#DEFINITION	Reference Metabolome for Lygodium japonicum
#IDENTTFIER	RefMeta-Lygodium japonicum.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Lygodium japonicum
#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 Lygodium japonicum was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.5992
Annotation	Unknow
Peak:m/z	Relative Intensity
70.90880	4.9
75.08126	5.0
77.03957	4.5
77.05809	5.3
79.05495	89.7
81.03402	21.7
81.07058	99.6
83.04964	10.8
83.08618	21.8
85.02905	15.3
91.03904	4.7
91.05473	92.7
93.07039	100.0
95.04972	11.5
95.08040	7.2
95.08609	66.2
97.02894	6.1
97.06521	18.1
97.10155	11.8
98.23367	19.5
103.05481	5.8
105.07040	84.6
107.04972	12.8
107.08589	62.2
109.06524	9.9
109.10162	33.2
111.08031	5.8
113.09650	4.6
117.07003	32.9
119.08584	66.2
121.10157	36.1
123.08099	10.8
123.11763	7.0
125.09628	7.8
127.04002	6.3
128.06161	5.9
129.07001	22.1
131.08575	52.8
133.10112	38.0
135.11713	29.1
141.06979	5.0
142.07803	8.5
143.08580	24.6
145.10123	42.1
147.08020	6.2
147.11694	29.2
149.09650	7.4
149.13258	12.4
155.08574	15.0
157.10066	25.0
159.11638	29.8
161.09682	7.1
161.13268	19.9
163.11238	9.5
163.14740	5.4
167.08511	5.7
169.10159	13.7
171.11687	17.0
173.04532	5.5
173.09575	7.1
173.13295	17.5
175.11198	7.1
175.14853	7.9
183.11743	11.0
185.13242	18.4
195.11826	5.8
195.13734	5.8
197.13277	14.4
199.14824	7.9
211.14902	9.9
229.49480	5.4
237.16484	6.0
241.19632	6.6
259.20526	40.0
269.17462	16.3
273.18542	7.1
275.20096	29.5
291.19528	12.1
333.24258	40.0
335.25677	14.2
349.23914	6.9
387.15457	5.1
435.32596	6.7
475.68591	4.9
513.35754	24.0
527.37390	43.4
533.39508	7.8
545.37817	5.4
567.40112	5.2
607.43500	41.9
625.44574	39.2
643.45721	6.3
689.42310	5.4
769.46954	6.9
1002.51306	55.7
1003.52460	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.5986
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04997	7.8
71.27846	4.9
71.28223	5.3
73.02940	11.4
79.05496	95.9
81.03417	23.0
81.07063	82.8
83.04993	17.4
83.08636	18.9
85.02934	23.5
85.06548	8.6
91.03954	10.7
91.05488	100.0
93.07048	87.1
95.04993	16.5
95.08603	63.5
97.02884	13.1
97.06551	17.8
97.10168	8.8
97.48453	5.7
103.05480	5.8
105.04512	6.4
105.07037	86.6
107.04979	11.0
107.08608	38.8
109.06529	12.9
109.10157	34.2
111.08153	5.8
115.05460	5.2
117.07020	35.2
119.08579	63.8
121.06470	7.5
121.10181	28.2
123.11738	7.6
127.03912	8.0
129.06990	17.8
131.08562	39.0
133.10149	44.9
135.08046	8.8
135.11714	18.2
141.06995	7.9
143.08594	23.2
145.04919	7.0
145.10104	39.7
147.08087	6.8
147.11714	27.8
149.09633	13.2
149.13269	14.9
151.11104	6.7
155.08542	13.9
157.10162	17.7
159.11729	32.9
161.13243	10.1
163.11172	11.4
169.10127	18.1
171.11707	18.2
173.13298	10.3
175.14835	9.8
177.12834	6.1
178.37195	6.7
181.10126	8.7
183.11720	16.0
185.13295	11.4
195.11745	10.2
197.13222	9.5
207.11823	6.5
227.12932	6.2
241.19629	6.9
253.14442	7.3
257.18878	6.7
259.20547	26.2
273.18497	8.8
287.19666	5.9
291.19785	6.3
294.05496	7.0
312.29294	6.1
333.24326	21.2
335.25766	15.1
527.37433	11.9
607.43359	7.3
609.45197	41.0
625.44055	17.1
1002.54871	76.2
1003.57587	77.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.5542
Annotation	Unknow
Peak:m/z	Relative Intensity
70.03796	0.4
70.15277	0.4
70.15616	1.4
71.05006	0.4
73.02918	2.2
77.44606	0.5
79.05480	2.8
81.03445	1.4
81.07048	2.7
83.08675	0.5
85.02903	4.4
91.03936	2.1
91.05473	3.0
92.21133	0.4
92.57555	0.4
93.07043	2.6
95.04960	0.7
95.08628	1.7
97.02897	4.3
99.04465	0.8
101.02403	1.5
105.07056	1.7
107.08615	1.4
109.02876	0.4
109.06564	0.5
109.10165	0.9
115.03946	0.5
117.07018	0.9
119.08630	1.4
121.10178	1.3
127.03937	1.1
131.08597	0.6
133.10170	1.1
135.11723	0.8
147.11745	0.5
185.04245	0.6
201.03813	0.6
203.05334	0.6
243.08571	1.5
259.08002	0.5
301.09033	0.8
311.68784	0.5
333.20435	1.3
347.09528	2.7
363.08984	0.9
363.44418	0.4
365.10834	0.5
405.13715	6.4
463.14273	1.5
494.49924	0.5
535.29089	2.1
551.28241	3.2
559.23901	0.5
601.24359	0.7
681.35663	0.6
697.33899	5.7
713.33368	4.6
714.33337	0.5
767.55499	0.5
776.91565	0.4
845.50781	1.1
929.60138	0.5
937.48608	0.5
1007.55365	100.0
1008.55780	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	1007.5546
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04969	0.5
71.13178	0.5
71.29247	0.5
71.29623	0.7
73.02913	2.2
78.39620	0.4
79.05498	3.4
81.03446	1.4
81.07077	2.8
82.29208	0.4
85.02901	3.7
91.03973	2.2
91.05486	3.0
93.07032	2.8
93.27672	0.5
95.04971	0.6
95.08624	1.9
96.97905	0.5
97.02895	3.6
99.04502	0.8
101.02390	1.4
105.07037	2.6
107.04952	0.6
107.08600	1.5
109.02884	0.5
109.10201	0.6
110.54877	0.5
119.08607	1.7
121.10192	0.9
127.03978	0.8
128.95441	0.5
131.08607	0.8
133.10178	0.9
139.69345	0.4
149.13287	0.7
173.83504	0.5
185.04356	0.7
194.94041	0.4
203.05328	0.7
243.08620	1.5
301.09259	0.7
333.20502	0.9
347.09741	2.0
365.10474	1.1
405.13651	4.3
413.17236	0.5
453.21255	0.6
463.14383	0.6
468.66885	0.6
477.15512	0.6
485.23453	0.6
535.28876	2.2
551.28369	1.6
697.34265	5.0
713.33661	4.2
785.35663	0.7
845.50793	0.7
1007.55353	100.0
1008.55774	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	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	1.0
56.05030	0.5
56.96571	3.8
58.96173	5.5
59.05011	0.9
59.93119	0.8
59.95497	0.8
60.04528	1.1
60.95142	1.1
71.26750	0.6
71.95265	1.0
73.94869	1.1
74.06070	1.2
82.99846	0.9
83.43947	0.5
93.65234	0.5
99.48568	0.4
100.97191	2.5
100.98009	1.6
101.00886	25.8
101.02613	1.3
101.07946	0.7
102.00954	1.1
102.02245	0.6
102.05530	1.1
102.09167	3.0
102.12819	0.5
118.98229	2.3
118.99075	1.2
119.01923	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	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06927	0.8
56.96566	5.2
58.96172	5.1
59.96180	0.8
60.95853	1.0
69.60061	2.0
69.60472	2.0
71.95269	1.4
73.94878	2.6
82.99862	4.1
83.01516	1.4
84.01203	1.5
90.57838	0.8
100.02528	1.2
100.97190	3.4
100.98006	1.9
101.00886	38.3
101.02578	4.7
102.00968	2.5
102.02216	2.9
118.98269	1.7
118.99063	2.2
119.01922	100.0
119.03658	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	101.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00320	0.4
53.03947	3.6
54.00563	0.3
55.01869	1.1
55.05510	100.0
56.05847	1.9
57.03436	9.8
57.07078	0.7
58.96173	0.8
59.05000	12.9
59.05301	0.6
60.04532	0.9
66.97839	0.3
70.88174	0.6
71.01345	0.4
73.02917	0.4
73.06554	13.1
74.06080	0.9
83.04978	20.0
83.10714	0.3
84.05302	0.8
85.02931	0.4
100.97211	0.4
100.98005	0.3
101.06013	13.0
101.07951	0.8
101.11000	0.4
101.11572	1.9
102.05541	0.4
102.06368	0.5
102.09176	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	1014.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04977	2.5
75.36140	1.3
79.05493	26.1
79.05910	2.5
81.03422	25.8
81.07063	19.9
83.01360	3.2
83.04986	8.0
83.08628	5.2
85.02900	4.3
85.06545	2.1
89.03954	2.4
91.05482	23.8
93.07047	29.8
95.05006	8.0
95.08617	8.4
97.02904	3.5
97.06538	7.4
97.10190	3.6
97.45491	1.6
99.04464	2.0
103.05444	1.7
105.07050	15.9
107.04961	7.0
107.08597	12.0
109.02874	1.5
109.06513	4.5
109.10179	6.8
111.04440	2.1
111.08099	1.7
112.99480	1.4
115.05443	2.3
117.03398	2.7
117.07050	6.6
119.08604	12.8
121.06502	3.0
121.10152	14.6
123.04491	2.7
123.08085	5.5
123.11684	1.9
125.09586	1.9
128.86339	1.5
129.07024	5.1
131.04956	2.1
131.08583	6.6
133.02850	2.3
133.10121	7.3
135.04387	2.0
135.08026	2.2
135.11710	6.5
137.09645	1.8
145.02823	4.8
145.06471	3.1
145.10106	7.0
147.04430	4.7
147.08069	2.6
147.11696	7.0
149.05962	2.1
149.09610	5.6
153.06941	2.0
155.08575	1.5
157.06503	3.4
157.10114	2.5
159.04439	9.3
159.08121	1.5
161.02354	6.2
163.03903	35.2
163.05180	2.8
163.07472	1.8
163.11235	10.1
165.12781	3.8
173.02350	15.1
173.06020	5.7
174.07745	1.9
175.03897	3.0
175.11224	1.8
176.11932	2.7
185.06003	4.7
187.03917	20.6
189.05449	2.7
193.12350	3.9
195.08023	1.6
197.06059	2.1
199.03883	11.9
199.07558	3.1
201.05420	6.7
203.03424	3.1
213.05479	19.3
215.07022	3.0
225.05603	2.7
227.06984	3.4
231.06558	1.7
239.07161	2.6
265.12231	1.6
267.13773	12.4
282.35425	1.4
283.15576	20.8
285.14807	3.2
293.11722	4.9
309.14896	2.6
311.12802	8.2
311.16260	2.3
327.15933	3.8
337.14392	6.1
355.15399	35.0
356.15640	2.6
373.16605	4.8
378.43488	1.6
411.18066	5.5
429.19070	75.2
430.19211	4.9
447.20139	3.7
535.62384	1.5
545.26154	1.7
619.28601	6.3
637.13385	1.9
637.20355	2.3
637.30096	50.4
638.30060	6.3
655.31116	100.0
656.31494	9.8
685.10242	1.7
764.77948	1.6
781.33203	2.4
799.35168	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	1016.5787
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04989	4.3
73.02908	1.5
77.03933	1.5
79.05490	46.7
81.03423	12.0
81.07057	46.5
83.04971	7.1
83.08620	13.7
85.02914	4.1
85.06539	2.3
89.29877	1.2
91.03957	2.0
91.05478	43.6
92.05823	1.6
93.07043	35.3
95.01315	1.2
95.04961	12.8
95.08605	18.4
95.34531	1.1
97.02877	11.2
97.06529	10.5
97.10156	15.9
99.04418	1.3
99.08070	1.3
101.78345	1.1
103.05473	2.9
105.04497	1.2
105.07028	32.9
107.04948	11.6
107.08592	28.0
109.02868	2.3
109.06524	5.5
109.10157	13.9
111.04453	1.9
111.08075	4.0
115.05478	2.3
117.07009	14.5
119.04942	2.3
119.08582	23.2
121.06498	6.2
121.10142	11.7
123.04411	1.0
123.08063	4.8
123.10795	1.0
123.11694	2.2
125.09615	12.1
127.03916	3.4
128.06227	2.6
129.07010	7.7
130.07816	2.0
131.08569	15.9
133.06523	3.3
133.10120	14.3
135.08087	7.3
135.11708	8.4
136.06200	2.0
137.09602	2.8
141.06999	3.4
142.07791	1.6
143.08572	7.2
145.10115	15.4
147.08051	6.0
147.11684	9.3
149.09610	10.1
149.13286	6.4
151.11191	3.2
153.09055	1.7
155.08623	1.7
157.10130	4.1
159.08032	1.6
159.11722	10.3
160.12096	1.2
161.09636	5.0
161.13295	3.1
163.11188	9.4
165.09100	2.0
169.10133	2.3
171.10320	2.0
171.11702	4.0
173.04480	1.3
173.11780	1.6
173.13316	3.2
175.11224	4.0
177.12729	2.6
179.10690	1.6
179.14369	1.5
180.19241	1.1
183.11743	2.1
185.13277	2.5
187.11195	1.8
189.11232	6.9
189.12677	1.2
192.55629	1.1
193.12335	1.8
195.11708	1.3
195.13812	3.4
197.13301	2.0
205.12224	2.1
209.11668	1.4
211.13144	1.4
223.13284	17.0
227.12785	15.3
229.14519	1.3
229.19688	1.7
239.17979	2.5
245.19101	1.9
247.20595	1.2
249.14842	2.2
253.14409	4.7
255.15904	4.4
257.18997	6.8
261.14853	1.3
267.16003	2.7
269.17468	11.9
273.18466	16.4
275.20071	22.3
276.20294	1.4
283.15424	3.0
291.19540	100.0
292.19623	5.2
293.20889	2.5
331.22598	2.3
347.22208	3.6
349.23752	20.3
365.23215	42.9
366.23654	3.0
461.28970	2.5
519.32983	3.3
535.32294	1.5
541.34857	3.0
543.36938	1.7
545.34753	13.9
546.34882	1.4
559.36340	43.6
560.36615	3.4
599.39154	1.6
621.41199	2.3
639.42529	37.9
640.42664	2.4
657.43323	4.4
674.44629	2.0
703.40381	3.2
1016.52502	2.4
1017.49445	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	1016.5787
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04989	4.3
73.02908	1.5
77.03933	1.5
79.05490	46.7
81.03423	12.0
81.07057	46.5
83.04971	7.1
83.08620	13.7
85.02914	4.1
85.06539	2.3
89.29877	1.2
91.03957	2.0
91.05478	43.6
92.05823	1.6
93.07043	35.3
95.01315	1.2
95.04961	12.8
95.08605	18.4
95.34531	1.1
97.02877	11.2
97.06529	10.5
97.10156	15.9
99.04418	1.3
99.08070	1.3
101.78345	1.1
103.05473	2.9
105.04497	1.2
105.07028	32.9
107.04948	11.6
107.08592	28.0
109.02868	2.3
109.06524	5.5
109.10157	13.9
111.04453	1.9
111.08075	4.0
115.05478	2.3
117.07009	14.5
119.04942	2.3
119.08582	23.2
121.06498	6.2
121.10142	11.7
123.04411	1.0
123.08063	4.8
123.10795	1.0
123.11694	2.2
125.09615	12.1
127.03916	3.4
128.06227	2.6
129.07010	7.7
130.07816	2.0
131.08569	15.9
133.06523	3.3
133.10120	14.3
135.08087	7.3
135.11708	8.4
136.06200	2.0
137.09602	2.8
141.06999	3.4
142.07791	1.6
143.08572	7.2
145.10115	15.4
147.08051	6.0
147.11684	9.3
149.09610	10.1
149.13286	6.4
151.11191	3.2
153.09055	1.7
155.08623	1.7
157.10130	4.1
159.08032	1.6
159.11722	10.3
160.12096	1.2
161.09636	5.0
161.13295	3.1
163.11188	9.4
165.09100	2.0
169.10133	2.3
171.10320	2.0
171.11702	4.0
173.04480	1.3
173.11780	1.6
173.13316	3.2
175.11224	4.0
177.12729	2.6
179.10690	1.6
179.14369	1.5
180.19241	1.1
183.11743	2.1
185.13277	2.5
187.11195	1.8
189.11232	6.9
189.12677	1.2
192.55629	1.1
193.12335	1.8
195.11708	1.3
195.13812	3.4
197.13301	2.0
205.12224	2.1
209.11668	1.4
211.13144	1.4
223.13284	17.0
227.12785	15.3
229.14519	1.3
229.19688	1.7
239.17979	2.5
245.19101	1.9
247.20595	1.2
249.14842	2.2
253.14409	4.7
255.15904	4.4
257.18997	6.8
261.14853	1.3
267.16003	2.7
269.17468	11.9
273.18466	16.4
275.20071	22.3
276.20294	1.4
283.15424	3.0
291.19540	100.0
292.19623	5.2
293.20889	2.5
331.22598	2.3
347.22208	3.6
349.23752	20.3
365.23215	42.9
366.23654	3.0
461.28970	2.5
519.32983	3.3
535.32294	1.5
541.34857	3.0
543.36938	1.7
545.34753	13.9
546.34882	1.4
559.36340	43.6
560.36615	3.4
599.39154	1.6
621.41199	2.3
639.42529	37.9
640.42664	2.4
657.43323	4.4
674.44629	2.0
703.40381	3.2
1016.52502	2.4
1017.49445	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	1018.5939
Annotation	Unknow
Peak:m/z	Relative Intensity
71.08608	4.7
79.05497	83.1
81.03426	16.7
81.07061	100.0
83.04970	14.3
83.08617	22.4
85.02903	13.0
91.03969	8.4
91.05476	90.0
92.05813	5.9
93.07042	80.6
95.04963	19.2
95.08607	61.3
97.02874	11.6
97.06528	19.1
97.10161	12.0
99.04469	8.1
105.07037	76.0
107.04967	12.8
107.08601	53.7
109.02869	6.2
109.06524	13.7
109.10159	24.0
111.04440	6.8
111.07305	4.3
111.08083	10.3
115.05496	6.0
117.07011	30.3
119.08585	51.8
121.06490	6.7
121.10146	26.0
122.10438	5.2
123.08061	9.4
123.11732	6.4
125.06042	4.3
125.09613	9.9
127.03908	12.7
128.06232	6.3
129.05525	5.0
129.07024	19.6
131.08578	40.6
133.06523	6.2
133.10120	38.5
135.08086	15.0
135.11708	22.1
141.06981	6.8
143.08543	17.3
145.10104	33.4
147.08112	6.4
147.11664	22.4
149.09644	16.4
149.13266	12.8
151.11201	6.4
155.08591	5.3
157.10129	16.0
159.11713	21.8
161.09636	6.4
161.13252	8.6
163.11174	11.3
165.12758	4.5
169.10185	8.8
171.11707	9.8
173.11887	4.9
173.13266	10.6
177.12732	7.6
183.11810	4.7
185.13229	14.7
189.11172	5.3
195.11757	5.0
195.13684	6.7
199.14786	5.5
227.12805	10.4
241.19456	5.9
245.21681	4.8
253.14355	5.3
257.19009	7.0
259.20663	9.7
262.84402	4.4
267.15875	7.5
269.17480	15.2
275.20062	29.6
288.74164	4.5
291.19623	9.6
293.21164	6.9
333.24197	10.3
335.25864	9.0
349.23746	17.7
513.35583	12.9
527.36987	7.5
543.36548	6.6
607.43042	15.5
625.43970	12.8
641.44379	6.6
963.45435	4.4
1018.54071	27.5
1019.52979	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	1018.5943
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04986	8.1
73.02886	2.7
77.03922	2.1
79.05491	84.0
79.08459	2.1
81.03415	23.6
81.07054	100.0
83.04967	14.8
83.08621	18.8
85.02905	12.8
85.06532	5.5
91.05479	61.6
93.07043	74.5
94.07391	2.4
95.04970	14.9
95.08604	44.4
97.02882	8.9
97.06546	16.8
97.10172	12.9
99.04451	5.9
99.08093	3.6
105.07028	58.9
107.04972	13.5
107.08586	52.8
107.09294	3.8
109.02884	4.2
109.06528	8.8
109.10160	22.4
111.08092	9.1
111.12558	2.1
115.05446	2.7
117.07007	29.7
119.08583	38.1
121.06508	8.7
121.10131	19.4
123.08073	7.4
123.11710	4.9
125.09653	13.2
127.03910	5.4
128.06236	6.8
129.07011	13.4
131.08563	33.3
133.06491	3.6
133.10133	34.7
135.08014	11.1
135.11702	25.7
137.09625	4.5
139.07408	2.2
141.07025	5.0
142.07799	2.6
143.08583	6.2
145.10126	24.5
147.08095	2.6
147.11658	19.6
149.09598	16.2
149.13239	13.7
151.11182	4.5
155.08577	5.4
157.10106	7.7
159.08060	3.7
159.11682	18.4
161.09677	4.6
161.13219	2.6
163.11137	11.3
169.10075	5.5
171.11691	9.7
173.04478	4.5
173.09561	2.4
173.13290	9.1
175.11105	2.9
177.12791	7.9
179.14297	4.3
181.10089	3.8
181.12236	3.5
183.11652	5.3
185.13150	4.3
187.11214	4.1
187.14777	3.7
189.11201	3.7
195.13832	9.1
220.37437	2.7
227.12744	18.0
228.98914	2.8
229.14316	4.8
229.19493	2.9
239.18007	3.7
247.05113	2.3
255.15753	11.4
257.18817	14.4
267.16025	5.5
269.17456	48.5
273.18634	2.5
275.20062	49.7
291.19611	4.7
293.21167	5.3
302.18506	2.3
331.22726	4.1
349.23795	43.7
350.24005	2.5
367.24744	3.9
409.25256	2.3
413.21735	3.6
432.92941	2.4
439.26907	3.2
449.29071	15.3
463.30618	29.2
525.35840	5.2
529.35364	11.0
543.36749	55.8
544.36774	3.5
551.28693	2.3
561.37775	5.5
607.34113	4.1
623.42688	9.3
641.43610	4.1
684.31805	2.4
1018.51752	21.9
1019.51849	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5945
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04980	5.8
77.03899	2.4
79.05487	88.4
81.03416	20.9
81.07052	100.0
81.07528	5.3
81.83271	2.5
83.04980	16.7
83.08621	20.4
85.02885	9.7
85.06571	5.7
91.03936	3.1
91.05476	83.3
93.07040	89.3
93.07633	4.3
95.04962	22.6
95.08600	42.8
97.02884	11.1
97.06537	20.0
97.10159	17.0
99.04455	2.8
99.08084	5.7
103.05474	4.6
105.04533	3.8
105.07025	58.8
107.04955	15.6
107.08588	48.3
109.02860	4.7
109.06519	7.4
109.10161	17.0
111.04442	2.9
111.08071	8.5
113.06009	2.4
113.09602	4.9
115.05433	4.9
117.07014	33.2
118.73744	2.5
119.08576	45.8
121.06484	9.3
121.10152	29.7
123.08047	7.1
123.11702	8.5
125.09659	12.0
127.03928	7.8
128.06210	7.1
129.06993	16.5
131.08574	33.2
131.51434	2.5
133.06505	4.3
133.10138	37.3
135.08046	10.0
135.11661	18.0
137.09615	3.4
141.06999	4.9
143.08574	13.3
145.05000	2.4
145.06490	2.6
145.10106	26.1
147.11697	17.9
147.75751	2.3
149.09631	20.2
149.13284	13.4
151.11237	3.3
155.08519	9.2
157.10115	10.5
159.11702	21.7
161.13219	8.3
161.69304	2.5
163.11157	16.8
164.11378	2.7
164.94701	2.9
167.08641	2.7
169.10117	8.2
171.11682	7.0
173.04407	5.0
173.11772	4.4
173.13251	10.1
175.11168	4.4
177.12752	9.7
179.14337	4.7
181.10152	4.1
181.12253	3.4
183.11694	7.1
185.13205	4.1
187.14926	3.2
189.11179	7.1
193.12270	3.3
195.13751	7.7
197.13220	3.1
225.12787	3.1
227.12801	17.5
229.14255	4.3
229.19475	3.8
239.17957	8.6
247.20636	6.6
255.15846	13.1
257.18997	21.5
259.20334	2.9
267.15979	3.6
269.17471	37.4
275.20050	68.7
293.21130	5.7
331.22797	3.9
349.23727	50.8
367.25049	5.1
413.21878	3.3
449.28992	15.0
463.30481	18.6
503.33176	4.8
519.33258	4.5
525.35706	5.4
529.35272	11.9
543.36676	48.3
561.37506	6.1
583.39252	2.9
607.33978	3.7
623.43195	15.4
641.43445	8.0
1018.52118	20.1
1019.51984	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	102.9687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64933	0.4
51.58141	0.4
56.96573	3.0
57.95874	0.5
58.95427	3.3
60.95171	10.1
60.95858	100.0
61.95209	37.7
62.94885	15.2
70.16202	1.7
70.25642	0.5
75.94556	29.4
79.96250	0.8
80.95937	0.6
82.01454	0.6
86.00942	1.2
98.22725	0.5
100.02512	1.4
102.91188	2.2
102.96877	53.8
103.00644	8.7
103.01283	0.7
103.91167	0.8
104.02005	1.7
118.03584	0.5
119.01892	1.1
120.97919	34.1
120.98865	2.4
121.01674	28.2
121.98502	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.5341
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01368	0.4
73.02918	1.9
79.05489	2.5
81.03416	1.7
81.07056	2.1
83.04992	0.5
83.08620	0.7
85.02908	3.1
85.83167	0.3
91.03977	1.2
91.05483	1.6
93.07035	1.7
95.04981	0.6
95.08632	0.9
97.02899	3.0
97.06553	0.4
97.10179	0.8
99.04468	0.6
101.02408	1.0
105.07081	1.3
107.08619	1.1
109.02903	0.5
109.10184	0.5
117.07064	0.6
119.08616	1.0
121.10179	0.4
123.47529	0.3
125.09629	0.5
127.03967	0.9
133.10126	0.5
135.11696	0.5
147.11720	0.5
152.96594	0.4
185.04245	0.5
203.05327	0.8
209.20172	0.4
223.13342	0.7
243.08368	2.2
277.83893	0.3
291.19693	0.9
331.18954	0.6
333.20502	0.6
334.81827	0.5
337.17517	0.4
344.36826	0.3
347.09421	2.2
347.21503	0.3
363.09018	0.6
365.10608	0.8
405.13733	4.3
439.19211	0.5
451.19354	0.4
453.20911	0.5
463.14294	0.4
549.26605	2.1
551.28412	2.8
553.93732	0.4
585.34747	0.4
593.96069	0.4
640.54901	0.5
711.31799	4.8
712.32007	0.5
713.33789	4.5
714.33337	0.5
859.48090	1.0
923.99023	0.4
975.48859	2.3
1003.52002	0.5
1021.53326	100.0
1022.53522	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	1023.55
Annotation	Unknow
Peak:m/z	Relative Intensity
73.00076	0.5
73.02928	2.0
79.05495	2.7
81.03440	1.7
81.07079	2.8
83.04994	0.5
83.08652	0.7
85.02917	3.0
87.04507	0.6
91.03990	1.7
91.05518	2.2
93.07066	2.0
95.08621	0.9
97.02895	2.8
97.06520	0.5
98.22669	0.7
99.86506	0.5
101.02412	1.4
105.07047	1.2
107.08639	1.6
109.02901	0.5
109.10172	0.6
117.07069	1.0
119.08630	1.4
127.03985	1.3
131.08635	0.6
135.11703	0.5
136.06310	0.5
145.10109	0.5
167.03500	0.5
185.04271	0.8
203.05302	0.7
243.08479	2.1
307.48792	0.6
333.20486	1.7
347.09674	1.6
363.09518	0.8
389.23050	0.6
405.13763	4.0
439.19867	1.5
453.21152	1.3
551.28436	4.2
552.29187	0.6
710.73743	0.6
713.33405	10.6
714.34082	0.8
861.50073	1.5
1023.54974	100.0
1024.55127	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	1023.5498
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01361	0.4
71.04980	0.5
71.30131	0.6
73.02925	2.2
73.03312	0.4
73.38001	0.4
79.05493	3.1
81.03444	1.4
81.07059	2.9
81.47141	0.4
85.02902	3.6
85.03294	0.3
91.03963	1.9
91.05498	2.5
93.07022	2.3
95.05002	0.6
95.08626	1.3
97.02876	3.9
97.10194	0.6
99.04460	0.5
101.02404	0.7
105.07014	1.9
107.08630	1.4
109.02894	0.5
109.06557	0.4
109.10159	0.5
117.07076	0.5
119.08614	1.2
121.10183	0.6
127.03977	1.3
131.08595	0.6
133.10161	0.7
135.11731	0.9
185.04369	0.6
186.61925	0.4
203.05360	0.9
230.10452	0.5
243.08348	2.7
333.20425	1.7
347.09729	1.7
365.10648	1.0
389.23062	1.0
405.13681	4.9
439.19666	1.3
453.21146	1.7
517.19659	0.4
551.28308	5.3
615.26196	0.7
713.33411	8.4
713.45862	0.5
714.34631	1.2
861.49896	1.4
979.83954	0.6
1005.53760	0.7
1023.54883	100.0
1024.55042	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	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	1.2
51.02381	4.6
53.03951	30.3
55.01875	1.3
57.03445	0.5
58.06602	3.6
59.05000	0.4
59.07364	0.9
60.08169	32.1
60.95860	6.6
67.05503	1.3
69.78781	1.9
71.95553	0.5
75.94552	1.6
77.03931	8.0
81.03419	2.5
87.04485	1.2
95.04974	34.2
96.05305	1.2
97.41538	0.5
98.23460	0.4
102.04697	5.1
102.96881	3.9
103.05475	100.0
104.05795	4.1
104.10749	65.1
105.04523	16.3
120.97915	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00319	0.5
55.05510	1.6
57.03451	2.4
57.07079	17.0
58.06602	3.3
58.07409	0.7
59.07378	1.2
60.08166	35.9
60.95854	5.4
65.03942	14.6
65.04292	0.7
67.05505	100.0
68.05846	3.5
69.03446	0.6
70.09245	0.8
70.09637	0.8
71.03104	0.4
75.94549	0.8
78.22280	0.4
85.06545	23.9
86.06077	0.4
86.06898	0.6
87.04451	0.9
102.96869	2.8
104.10744	68.4
110.32127	0.4
120.97890	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03378	0.2
83.04979	1.8
85.02860	0.5
91.05479	2.7
93.55032	0.2
95.04968	0.2
97.02845	0.4
104.89542	0.2
105.28639	0.2
107.04910	0.3
119.04939	3.7
131.43465	0.2
136.07539	0.3
147.04404	13.3
157.10590	0.2
165.05371	0.7
217.09549	0.3
225.10268	0.5
226.10930	0.3
242.82332	0.2
244.08356	0.2
247.09708	3.8
261.08640	0.9
263.10324	0.3
263.15323	0.4
274.09998	0.3
274.13419	0.3
275.15414	1.6
276.14828	0.3
277.12003	0.5
278.12537	0.3
285.12289	2.7
287.10449	0.5
288.11298	4.7
289.11960	0.9
289.15506	0.4
290.12735	0.8
291.13599	0.7
292.14584	0.3
301.12320	0.4
302.12848	2.5
303.13538	1.4
304.14209	1.1
305.15213	2.5
306.15790	0.4
310.11682	0.3
316.14365	1.4
317.11829	0.5
317.15186	10.0
318.12180	0.6
318.15723	0.7
320.14035	0.3
320.17453	1.2
322.11865	0.5
330.15717	0.3
331.13132	0.3
332.13959	0.6
332.17529	1.6
333.14481	0.4
334.11853	0.2
334.16104	0.5
335.12662	0.4
335.16348	0.5
336.13474	3.0
336.17157	0.4
344.13901	0.3
345.14462	0.3
346.11905	0.5
346.15506	0.3
347.12637	5.0
347.16470	0.6
348.09378	0.2
348.13379	4.3
348.17206	0.5
349.14133	2.3
350.14859	1.7
350.18640	0.5
360.13336	1.2
361.14194	2.9
362.11221	2.3
362.14981	2.9
363.15735	2.4
364.16534	11.0
365.17111	0.9
374.14902	0.7
376.12689	3.4
376.16580	12.3
377.13022	0.5
377.16931	0.9
378.14175	0.4
378.18347	1.9
379.15237	0.3
390.14374	3.7
391.15228	5.2
392.16220	3.4
394.17599	3.9
396.19217	3.0
404.15973	2.2
406.13449	0.4
407.14813	0.9
409.15616	0.3
422.17065	94.7
423.17426	7.2
424.18668	1.4
435.14114	1.1
437.15588	0.5
442.19794	1.5
450.16592	0.5
468.17633	100.0
469.17938	7.7
501.11798	0.4
543.25885	0.4
559.25574	0.4
605.26001	57.2
606.26355	6.1
614.21222	3.7
615.21198	0.4
732.27539	18.3
733.28290	2.3
751.29663	8.0
752.29614	1.0
769.31427	0.3
869.35968	9.3
870.35760	0.9
894.32770	4.3
895.32568	0.6
1031.40991	3.6
1032.41882	0.3
1041.95129	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
74.78709	0.2
79.23827	0.2
81.03360	0.3
81.15699	0.2
83.04982	2.3
85.02847	0.7
91.05482	3.3
97.02850	0.3
107.04868	0.5
119.04943	4.2
121.02858	0.2
124.07574	0.2
127.03886	0.2
145.68480	0.2
147.04414	13.8
148.04703	0.3
165.05431	0.7
181.41924	0.2
217.09691	0.4
225.10233	0.4
241.13220	0.2
245.09113	0.2
247.09668	4.7
247.12057	0.3
248.10094	0.3
248.13072	0.2
260.75613	0.2
261.08774	0.4
263.10574	0.3
263.15359	0.3
269.09183	0.3
274.09879	0.3
274.13528	0.2
275.15561	1.3
276.11438	0.3
277.12140	0.4
285.12311	3.2
288.11349	4.9
288.14951	0.6
289.11957	1.2
289.15231	0.3
290.12799	0.9
291.13599	0.6
292.14465	0.3
301.11880	0.4
302.09622	0.3
302.12943	2.4
303.13580	1.9
304.11127	0.2
304.14444	0.7
305.15228	2.7
306.15805	0.6
310.11798	0.5
316.11078	0.3
316.14447	0.8
317.11862	0.5
317.15192	11.0
318.12228	0.8
318.15750	1.0
319.13455	0.2
320.17584	1.1
322.11963	0.5
330.12491	0.3
330.16052	0.3
331.13309	0.3
332.13849	0.7
332.17606	1.8
334.11945	0.4
334.16116	0.4
335.16388	0.5
336.13400	3.0
336.17029	0.5
337.14618	0.3
345.14575	0.4
346.11896	0.6
347.12640	5.3
347.16324	0.4
348.13354	5.2
348.16983	0.6
349.14157	1.7
350.14905	1.7
350.18622	0.4
360.13406	1.3
361.14160	3.4
362.11273	2.7
362.15070	2.8
363.11823	0.5
363.15799	3.3
364.16559	12.8
365.17307	1.0
366.14346	0.3
374.15189	0.6
376.12720	4.5
376.16611	13.8
377.13364	0.9
377.17014	0.8
378.14282	0.5
378.18213	2.2
379.15427	0.7
380.16727	0.3
389.13696	0.3
390.14499	3.7
391.15253	5.4
392.16135	3.1
393.16605	0.3
394.17642	4.7
396.19211	2.5
404.16037	2.6
406.13397	0.3
406.18164	0.3
407.14713	0.8
409.15399	0.6
422.17084	93.8
423.17416	6.6
424.18576	1.2
435.14224	1.2
437.15884	0.5
442.19809	1.4
450.16681	0.4
468.17654	100.0
469.17957	7.7
469.24561	0.4
543.25861	0.4
559.25348	0.4
605.26019	65.0
606.26306	7.5
614.21289	4.8
615.21704	0.4
697.28223	0.2
732.27570	18.9
733.27606	2.2
751.29657	11.8
751.43494	0.4
752.30341	1.5
821.63562	0.2
851.36377	0.3
869.36005	12.6
870.36273	1.5
894.16278	0.3
894.32941	4.6
895.32367	0.7
956.74396	0.2
1031.41431	4.7
1032.41675	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22440	0.1
55.68585	0.1
58.06602	6.0
59.07387	2.2
60.08167	56.1
61.08506	0.6
71.04037	0.3
74.29383	0.1
81.62170	0.1
97.70881	0.2
104.10749	100.0
105.10421	0.2
105.11069	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	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99030	0.2
58.06601	6.1
59.07386	2.0
60.08167	58.5
61.08508	0.8
68.16886	0.2
69.03426	0.3
69.76144	0.7
71.10547	0.1
76.26601	0.2
86.09723	0.2
87.04469	0.5
98.22715	0.2
104.10748	100.0
105.10426	0.2
105.11075	2.6
123.02867	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1045.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02891	0.3
79.05476	0.2
81.03392	0.6
82.59997	0.2
83.04977	3.9
85.02914	2.0
88.83878	0.2
91.05473	7.8
97.02869	0.8
97.06500	0.3
99.04445	0.2
107.04931	0.8
119.04931	13.9
122.05990	0.2
124.07596	0.4
127.03892	0.6
130.25499	0.2
134.09572	0.2
147.04395	48.8
148.04778	1.0
157.06470	0.2
162.09148	0.9
163.03899	0.2
164.10628	0.3
165.05493	1.3
172.11093	0.2
183.09210	0.4
184.11226	0.4
185.07140	0.3
186.07906	0.9
197.10727	0.7
199.12337	0.9
209.07059	0.2
210.07857	0.3
211.08662	1.1
211.12321	0.4
212.09390	0.5
213.10243	0.2
213.13809	0.3
225.10201	7.6
226.10968	7.0
229.08519	0.2
239.11790	0.6
241.13324	6.0
242.13742	0.3
244.08452	0.6
245.09084	0.9
247.09637	8.9
250.09700	0.2
251.10515	0.3
257.09283	0.2
259.09811	0.3
259.14380	0.8
262.13492	0.2
263.10510	1.6
264.11340	0.6
266.12891	0.3
267.11237	0.3
269.09189	3.6
270.09985	1.2
271.10760	0.6
275.11261	0.2
276.11395	0.4
276.14709	0.2
277.12054	0.8
277.16806	0.4
278.12924	0.5
284.11536	3.7
285.12302	83.0
286.12595	2.9
288.11209	0.3
289.12320	0.3
290.12863	0.9
290.16388	0.2
291.13599	0.9
292.14609	0.4
302.09613	0.2
302.12878	1.0
303.10294	0.3
303.13965	0.6
304.10938	0.3
304.14313	1.7
305.15384	0.8
306.16141	0.3
310.11819	2.9
314.12830	0.3
315.09851	0.3
316.10828	0.3
316.14288	0.3
317.11618	0.8
317.15060	0.3
318.12378	1.8
318.16077	1.5
319.13022	0.4
319.16730	4.5
320.17346	0.7
322.11844	3.3
322.15414	0.4
323.12564	0.8
327.11163	0.3
329.15216	0.5
330.12399	0.3
331.13211	0.5
331.16702	0.4
332.13940	2.0
332.17453	0.4
333.14719	0.6
334.11911	1.7
334.15359	0.4
334.19003	1.7
335.13364	0.2
336.13422	3.4
336.17514	0.4
337.14096	0.4
343.14801	0.2
345.14673	0.3
346.15491	2.5
346.19220	0.3
347.16278	2.5
348.13354	5.1
349.14203	1.5
350.14932	2.3
350.18466	0.2
351.15775	0.3
352.20279	0.4
360.13440	0.8
360.17392	0.3
361.14301	1.6
362.11313	5.3
362.15094	4.1
362.18759	1.6
363.11737	0.3
363.16040	1.7
364.12692	0.2
364.16461	1.4
365.17313	0.5
373.14288	0.4
374.15268	0.3
375.15915	0.2
376.12848	16.5
377.13602	6.9
378.14221	0.8
378.18109	19.7
379.18460	1.1
380.19681	2.4
382.21216	0.4
387.13333	0.6
388.16693	0.8
389.13644	1.5
390.14468	4.8
390.18359	1.7
391.15216	11.8
392.15558	1.8
392.19034	0.3
393.16986	0.3
404.16025	1.9
405.16891	0.9
406.17569	100.0
407.17972	5.5
408.19135	27.0
409.14935	0.5
409.19586	1.5
415.12808	0.5
418.17633	3.3
419.14844	0.5
420.19348	0.4
421.12778	0.6
423.14316	0.6
424.18567	1.1
426.20157	1.3
434.17123	0.9
436.18704	7.6
437.20056	0.3
438.20462	0.3
449.15579	0.3
450.16553	0.4
451.17337	2.2
452.18112	73.9
453.18738	3.5
464.18253	1.2
467.16794	0.3
482.19159	13.9
483.19476	0.7
543.25647	0.3
552.21362	0.2
573.27191	0.5
580.21460	0.3
589.26569	8.4
590.26740	0.7
601.26660	0.3
616.22632	0.8
619.27478	10.1
620.27948	0.7
646.24475	0.5
716.28046	13.3
717.28430	1.2
728.28076	2.4
735.29938	0.6
746.29089	49.6
747.29230	3.8
783.31445	0.3
835.35187	0.3
853.36505	6.5
854.36755	0.7
865.36462	1.1
865.51978	0.2
878.33282	10.3
879.33575	1.0
883.37463	24.1
884.37854	2.2
890.33856	0.4
908.34344	25.6
909.34503	2.9
969.92670	0.2
1015.41699	7.3
1016.41626	0.8
1045.42749	18.3
1046.42981	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1045.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05492	1.4
80.05004	0.9
81.03399	2.1
81.07063	1.2
83.04977	12.5
85.02893	2.3
91.05476	17.2
94.06551	1.0
97.02888	2.5
97.06517	2.8
99.04453	1.4
103.05443	0.8
107.04956	2.0
109.09405	0.8
111.04418	1.0
119.04938	28.7
119.05769	1.6
124.07624	1.5
127.03916	1.0
131.04964	0.8
136.07596	0.9
145.04910	1.0
147.04401	93.8
148.04782	2.7
153.01639	1.0
158.88654	0.7
163.03865	1.3
164.07100	0.9
164.10712	1.1
165.05516	2.2
173.02411	0.8
186.41827	0.7
225.10243	2.0
226.11069	1.0
228.10211	2.1
241.13298	1.1
245.09152	2.0
247.09636	19.2
248.10016	0.7
259.09756	2.1
263.10709	0.9
269.09158	1.5
270.94345	0.9
271.10648	1.2
277.12167	1.6
284.11566	4.9
285.12311	15.1
286.12708	1.0
287.05505	3.8
290.12817	1.6
291.13770	3.6
292.14355	0.8
302.12845	0.8
304.14404	1.2
306.16019	1.0
318.12259	1.2
318.15762	1.2
319.16690	4.2
322.11874	2.9
323.12671	1.0
331.16275	0.9
332.13773	1.2
333.14670	1.1
333.18387	1.3
334.11768	1.7
334.19138	2.1
336.13449	8.1
346.15451	0.9
347.16229	2.6
348.13297	2.0
349.14050	2.3
350.14963	11.9
350.18936	1.0
351.15613	1.4
352.20319	1.4
360.17429	1.2
361.14145	3.1
362.11172	2.1
362.14960	4.2
362.18625	2.9
364.12524	1.0
364.16519	2.5
376.12924	2.9
377.13681	11.9
378.14200	2.0
378.18152	26.1
379.18695	1.6
380.19791	6.4
388.16510	1.5
389.13480	1.1
390.10098	0.9
390.14127	1.1
390.18158	2.1
391.15598	2.8
392.15506	0.9
392.19717	8.0
406.17590	100.0
407.18021	6.5
408.19226	15.4
410.13681	0.9
410.20795	2.7
418.17639	3.1
420.19373	1.3
422.16907	1.1
423.14227	2.0
425.15811	2.6
434.16980	2.9
436.18655	61.4
437.19217	3.5
438.20230	5.0
449.16049	1.1
452.12302	1.3
452.18179	20.4
453.14893	7.1
456.20441	0.8
464.18066	5.1
467.16794	4.1
477.24258	0.9
482.19183	55.1
483.19336	3.6
543.25879	2.9
573.27045	27.4
574.27094	2.3
582.22479	1.5
589.26648	4.1
619.27539	40.8
620.27795	2.6
628.22003	0.9
646.23901	1.4
716.26917	1.2
720.30511	1.5
728.27228	2.5
735.29816	1.2
746.29120	68.7
747.29614	7.6
765.30457	3.9
783.32037	1.6
853.35181	1.3
865.35889	4.1
883.37451	77.9
884.37738	11.4
908.34344	3.5
1013.32770	1.3
1045.41052	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	1045.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
73.87502	0.3
77.88712	0.3
77.98061	0.3
81.03372	1.0
82.06887	0.3
83.04972	4.3
85.02885	2.0
87.04466	0.4
89.59963	0.4
91.05472	7.4
97.02863	1.4
97.06506	1.0
99.04362	0.3
106.06507	0.3
107.04912	1.0
107.07330	1.0
108.04717	0.3
119.04089	0.6
119.04935	11.8
122.09658	4.9
124.07533	0.5
127.03880	0.9
136.07574	0.5
138.09105	0.5
145.04927	0.4
147.04399	49.2
148.04704	1.6
162.09155	0.7
163.03831	0.4
164.07143	0.3
165.05452	1.1
166.08696	0.4
177.41061	0.3
185.07129	0.4
186.07982	0.9
197.10626	0.8
199.08771	0.6
199.12341	0.5
200.09422	0.3
211.08730	0.8
212.09332	0.4
225.10242	5.3
226.10963	6.3
241.13374	5.3
244.08453	0.6
245.08998	0.7
247.09665	7.3
259.14340	0.4
261.08701	1.2
263.10425	1.1
266.12930	0.5
269.09174	3.9
270.09991	0.9
271.10693	0.6
277.12189	0.7
278.12997	0.6
284.11517	3.2
285.12308	76.0
286.12631	2.9
288.11362	0.4
289.12253	0.5
290.13074	0.6
291.13684	0.6
292.14459	0.7
302.09250	0.4
302.12762	0.9
303.13626	0.4
304.14600	1.1
305.15384	0.8
306.16171	0.5
310.11835	2.4
317.11838	0.9
318.12381	2.1
318.15985	1.4
319.16757	4.8
320.17496	0.5
322.11807	2.6
323.12717	0.7
329.15332	0.5
331.13174	0.7
331.16818	0.5
332.13962	1.4
333.14667	0.4
334.11816	1.5
334.15445	0.5
334.19174	1.3
336.13428	3.2
336.16907	0.5
346.15598	2.0
347.16251	2.3
348.13300	4.0
348.16891	0.4
349.14087	1.2
350.14896	1.8
360.13483	0.6
361.14438	1.0
362.11310	4.3
362.15054	3.3
362.18781	1.6
363.15829	1.6
364.16348	1.6
365.17429	0.6
376.12869	13.2
377.13629	6.7
378.14236	0.7
378.18103	20.5
379.18539	1.2
380.19724	2.0
387.13443	0.7
388.16583	1.1
389.13892	1.3
390.14056	4.9
390.18329	1.6
391.15210	10.8
392.15707	1.6
404.16006	2.1
405.16803	0.7
405.52448	0.4
406.17587	100.0
407.17996	6.1
408.19156	27.5
409.14853	0.7
409.19586	1.3
418.17676	3.3
424.18875	0.8
426.20218	1.2
434.16840	1.0
436.18665	8.9
450.16422	0.5
451.17361	1.8
452.18134	72.9
453.18866	3.9
464.18341	1.1
482.19208	13.3
483.19580	0.8
573.27167	0.8
589.26508	5.9
590.26489	0.4
591.28601	0.5
599.24927	0.3
619.27551	7.7
620.28204	0.7
670.27521	0.4
716.28052	13.2
717.28455	1.1
728.28125	1.7
746.29132	48.6
747.29352	3.8
853.36407	6.0
854.36090	0.4
865.36572	1.4
878.33350	8.6
879.33966	0.6
883.37476	26.7
884.37482	3.8
908.34351	25.9
909.35071	2.4
1013.29907	0.4
1015.41711	7.6
1016.41211	1.2
1045.42834	25.4
1046.43140	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	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01588	0.8
51.02387	2.3
53.03947	14.9
55.01864	0.8
65.03930	1.2
70.06581	0.7
71.29191	0.4
71.29545	0.6
77.03921	3.0
78.04681	0.5
79.05493	55.2
80.05818	1.7
81.03413	1.8
87.00829	10.7
88.07639	0.5
93.72781	0.5
95.04965	17.5
96.04504	0.4
96.05280	0.5
102.16142	0.5
103.05468	36.0
104.05805	1.4
105.01880	0.7
105.04530	7.8
105.07029	100.0
106.06567	3.2
106.07361	4.4
111.92085	0.5
113.86917	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.7
51.02389	2.6
53.03950	15.5
55.01868	0.7
56.32632	0.5
56.39994	0.6
65.03933	1.6
66.57641	0.5
77.03924	4.6
78.03458	0.7
79.05495	64.6
80.05817	1.8
81.03420	1.8
87.00829	3.6
91.05463	0.9
95.04974	17.0
96.04528	0.8
103.05472	35.3
104.05807	2.0
105.04539	8.4
105.07032	100.0
105.11094	0.8
106.06557	10.1
106.07359	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	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02378	2.3
52.11325	0.5
53.03949	16.3
53.77094	0.5
54.19899	0.6
55.01866	1.0
62.45853	0.5
65.03938	2.0
74.44427	0.6
77.03925	4.6
79.05491	52.2
80.05825	1.4
81.03407	1.9
91.05397	0.7
91.35711	0.6
95.04362	0.9
95.04968	15.9
98.22598	1.6
103.05470	34.2
104.05782	1.0
105.04538	6.7
105.07027	100.0
106.06629	0.9
106.07362	4.2
108.56924	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02378	2.1
51.79311	0.9
53.03947	12.9
65.03923	1.1
66.20840	0.8
70.58809	1.0
70.59128	1.8
77.03925	5.0
79.05495	59.5
80.05812	1.7
81.03410	1.0
87.00821	1.2
91.05465	1.3
95.04978	15.5
103.04787	1.7
103.05473	35.1
104.05828	1.5
104.86141	1.0
105.04549	7.0
105.07034	100.0
106.06657	1.3
106.07377	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.8
53.03951	15.6
65.03936	2.7
69.89638	1.8
69.90053	1.3
77.03925	2.9
79.05492	55.1
80.05811	1.8
81.03407	1.0
82.65446	0.6
87.00826	3.8
88.69700	0.6
95.04967	16.0
96.04513	1.3
103.05470	33.8
104.05801	1.2
105.03411	1.3
105.04535	7.8
105.07029	100.0
106.06558	5.2
106.07367	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	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31494	0.5
51.02377	3.0
53.03950	17.8
65.03945	3.1
70.07923	0.5
77.03924	4.4
79.05495	57.0
80.05829	1.5
81.03429	1.3
87.00815	1.6
95.04975	17.2
96.04476	0.6
98.23396	0.9
103.05470	34.9
104.05791	0.9
105.03395	1.9
105.04523	9.8
105.07032	100.0
105.11111	1.1
106.06554	5.0
106.07364	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	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.8
53.03951	15.6
65.03936	2.7
69.89638	1.8
69.90053	1.3
77.03925	2.9
79.05492	55.1
80.05811	1.8
81.03407	1.0
82.65446	0.6
87.00826	3.8
88.69700	0.6
95.04967	16.0
96.04513	1.3
103.05470	33.8
104.05801	1.2
105.03411	1.3
105.04535	7.8
105.07029	100.0
106.06558	5.2
106.07367	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	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02373	1.7
51.39373	0.8
53.03946	16.6
64.92820	1.6
65.03938	3.4
67.64323	0.7
71.29705	0.8
77.03941	4.3
77.23686	0.7
79.05494	56.8
79.50882	0.7
80.05852	1.0
80.80161	0.8
81.03412	1.2
83.74247	0.6
94.90483	0.6
95.04971	15.3
96.04513	1.3
96.05285	0.6
103.05470	35.0
104.05766	1.6
105.04540	9.1
105.07030	100.0
105.11079	0.7
106.06558	7.6
106.07355	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	1058.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
74.67912	0.7
74.85648	0.6
77.03922	0.9
78.01631	0.7
79.05489	15.9
81.03419	11.1
81.07056	14.4
83.01331	6.7
83.04967	8.0
83.08620	7.6
85.02904	5.5
85.06554	0.8
91.05481	10.4
93.07043	20.0
95.04967	6.7
95.08583	5.7
97.02879	4.8
97.06528	3.9
99.04462	3.3
103.05446	0.7
105.06411	0.6
105.07053	8.6
107.04948	8.7
107.08600	10.8
109.02872	2.9
109.06505	5.3
109.10133	2.0
111.04441	2.6
111.08056	1.2
117.07023	6.4
119.08590	6.2
121.06497	2.3
121.10149	6.2
123.08057	6.3
125.05944	1.8
125.09668	1.7
127.03922	6.2
129.06990	1.8
130.07764	1.5
131.08565	2.8
133.10129	1.4
135.08047	1.7
135.11714	11.6
137.09654	0.8
143.08542	1.0
145.05005	1.4
145.10117	15.3
147.08060	1.7
149.09654	1.1
153.12733	3.0
155.08575	1.3
163.11189	27.1
173.09605	2.8
181.12236	3.2
191.10687	3.0
209.11726	16.4
223.00531	0.6
227.12766	14.0
281.13821	1.1
283.15399	100.0
284.15698	2.0
311.15054	0.9
335.14801	0.8
353.15936	15.4
354.16205	1.2
371.17010	9.7
402.33542	0.7
483.32092	0.7
491.26385	54.8
492.26495	3.2
520.66956	0.8
688.51923	0.9
826.99402	0.8
1058.54846	1.6
1059.43677	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.2
51.02388	0.4
53.03946	1.6
55.01877	0.6
55.05510	0.6
58.07277	0.1
63.02374	0.3
65.03938	15.7
66.04275	0.4
67.05503	4.3
68.05843	0.1
71.29875	0.1
76.40938	0.1
77.03917	0.4
77.81890	0.1
79.05490	20.5
80.05025	1.1
80.05827	0.8
80.06218	0.2
81.03404	0.2
91.05477	100.0
92.05802	3.8
92.06274	2.6
93.05791	0.4
95.04965	3.1
96.04491	0.3
103.05463	0.9
105.04543	1.2
105.07026	27.6
106.04169	0.5
106.06577	0.3
106.07368	1.3
107.04959	5.2
107.08588	19.5
108.04491	1.4
108.08112	1.4
108.08922	1.1
109.06511	9.2
110.06818	0.4
119.06064	6.5
120.06400	0.3
124.03883	0.1
124.05251	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02375	0.4
53.03944	2.0
55.01874	0.7
55.05521	0.6
65.03938	16.3
66.04272	0.6
67.05500	4.2
69.98087	1.0
69.98419	0.3
77.03935	0.4
79.05489	19.8
80.05013	0.7
80.05816	0.5
91.05476	100.0
92.05796	3.1
92.06278	2.9
93.05784	0.3
95.04961	3.2
103.05468	0.8
105.04507	1.1
105.07025	27.3
106.04150	1.0
106.07360	0.9
107.04945	5.7
107.08585	19.4
108.04481	1.0
108.08092	1.2
108.08904	1.1
109.06506	9.8
111.99866	0.3
119.06055	6.8
124.05181	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
50.01598	0.3
51.02382	0.4
53.03949	2.6
55.01863	0.9
55.05510	0.3
58.98021	0.2
65.03940	15.2
66.04282	0.3
67.05502	3.0
69.13628	1.0
69.14050	0.8
77.03925	1.0
79.05492	21.3
80.05015	0.6
80.05830	0.6
81.03411	0.5
91.05479	100.0
92.05802	3.3
92.06275	2.7
95.04967	4.2
103.05477	0.7
105.04533	1.6
105.07027	28.7
106.04185	0.9
106.07349	1.3
107.04954	9.6
107.08591	25.9
108.04500	0.3
108.05203	0.3
108.08101	0.8
108.08926	1.4
109.06512	9.6
110.06828	0.5
119.06067	8.3
120.06425	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.8
53.03947	4.5
55.01875	0.9
65.03941	16.5
67.05497	2.5
71.28874	0.5
77.03950	0.8
79.05492	24.5
80.05041	2.5
80.05821	0.8
81.03423	0.8
91.05479	100.0
92.05766	3.1
92.06316	2.8
93.05781	1.0
95.04971	4.0
95.59413	0.4
103.05476	0.7
105.04518	1.7
105.07032	25.6
106.04163	0.7
106.06622	0.3
106.07367	1.3
107.04954	12.5
107.08593	24.9
108.04480	2.1
108.05184	0.4
108.08111	3.6
108.08918	1.4
109.06519	9.9
119.06068	7.7
120.06472	0.4
124.05194	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02382	0.2
53.03941	0.9
55.01868	0.6
56.30634	0.2
59.91477	0.2
63.02385	0.2
65.03941	14.1
66.04284	0.5
67.05505	2.4
70.56624	0.4
76.63752	0.2
77.03929	0.3
79.05492	12.9
80.05033	0.9
81.03408	0.3
91.05479	100.0
92.05801	3.3
92.06274	2.4
93.05795	0.4
95.04977	1.7
103.05465	0.6
105.04514	0.8
105.07028	28.7
106.04182	0.9
106.06664	0.2
106.07356	1.1
107.04960	3.4
107.08591	28.8
108.04483	0.8
108.08115	1.4
108.08922	1.1
109.06516	11.3
110.06856	0.3
119.06062	8.5
120.06429	0.4
124.05203	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1077.4191
Annotation	Unknow
Peak:m/z	Relative Intensity
79.63773	0.3
81.03354	0.8
83.04970	1.9
85.02895	2.1
88.33366	0.3
91.05479	5.1
97.02800	1.0
97.06476	0.6
99.04420	0.4
107.04933	0.5
109.59719	0.3
119.04944	8.5
119.14268	0.3
120.08047	0.3
124.07541	0.4
127.03841	0.3
138.09071	0.4
140.80197	0.3
146.09575	0.3
147.04402	27.0
148.04683	1.2
165.05507	0.5
166.08485	0.4
184.09973	0.4
185.10660	1.3
186.11469	0.4
199.12270	4.3
200.13054	3.7
201.10219	0.5
218.10440	1.0
219.11212	0.8
225.10207	0.6
226.10956	0.7
239.11842	0.4
241.13329	9.5
243.07512	0.4
243.11337	3.6
244.11919	0.4
245.12836	0.5
247.09724	1.8
251.10362	0.9
253.08705	0.3
258.13660	3.0
259.14404	57.5
260.14703	2.4
264.14975	0.4
277.08188	2.4
277.15652	0.4
278.12949	0.9
278.16556	0.6
279.13599	0.3
279.17279	1.0
284.14005	0.8
285.12408	0.7
290.12769	0.4
291.13721	0.7
292.14395	2.4
292.17981	1.1
293.18900	1.8
296.13947	0.8
301.12213	0.3
302.13242	0.3
304.14227	0.4
305.15363	1.0
306.15982	2.6
307.16730	1.4
308.13998	0.5
310.15268	0.9
318.12366	0.5
319.16751	0.4
320.17548	4.1
321.18353	4.7
322.15454	2.8
322.19067	1.1
323.16187	1.1
324.17041	1.0
334.15549	0.6
334.19022	2.1
336.13379	2.7
336.17075	3.2
337.17871	0.8
338.14838	0.5
338.18625	0.8
347.16559	0.5
350.14960	9.4
350.18466	0.5
351.15546	2.6
352.16336	0.9
352.20142	10.6
353.20505	0.9
354.14697	0.4
361.15140	0.9
362.18570	3.9
363.16769	0.9
364.16464	3.7
364.20230	0.5
365.17310	8.3
366.18063	2.4
367.18719	0.6
368.16037	0.5
378.18271	1.8
379.18936	0.5
380.19653	80.6
381.20062	5.7
382.21240	25.3
382.26376	0.5
383.21658	1.8
389.15073	0.6
392.19989	0.4
393.16742	2.4
395.14642	0.9
398.20688	1.0
406.17581	2.7
407.15979	0.4
408.19122	1.3
410.21246	1.8
411.18039	1.9
421.19699	0.4
422.16772	0.6
424.18524	0.9
425.19379	1.4
426.20206	100.0
427.20673	7.2
442.19763	0.4
450.16626	0.4
452.18146	0.8
456.21194	2.5
544.25134	0.5
590.24878	5.5
591.25336	0.7
606.37665	0.4
620.25787	0.7
621.25464	2.4
651.26892	2.0
678.26465	0.5
690.30103	14.3
691.30896	1.4
717.79761	0.4
720.18481	0.7
720.31213	13.6
721.31696	1.4
852.35376	40.7
853.35577	4.5
869.35791	1.2
882.36456	85.9
883.36810	11.5
885.35370	1.2
897.35382	2.3
898.35956	0.6
908.35175	0.5
915.36316	4.5
916.36920	0.6
1047.40613	5.6
1048.40674	0.8
1077.41882	11.8
1078.41345	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1077.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03352	1.0
83.04977	3.0
85.02829	1.6
91.05475	4.6
94.06532	0.8
97.02827	1.4
97.06500	0.9
99.04363	0.7
100.55650	0.5
109.02837	0.6
112.72706	0.6
115.77856	0.5
119.04945	6.4
138.09026	0.8
147.04411	22.6
148.04686	1.0
160.42120	0.5
165.05542	0.7
185.10693	0.9
199.12299	2.7
200.13010	2.5
218.10425	1.4
225.10329	1.0
226.10858	0.7
233.92966	0.6
241.13364	6.0
243.11290	2.6
244.12134	0.5
247.09592	1.2
247.44022	0.6
251.10030	0.7
258.13507	2.8
259.14407	41.9
260.14645	2.0
278.13141	0.7
278.16504	1.0
291.13321	0.6
292.14355	2.2
292.17859	1.0
293.18774	1.4
306.15891	1.9
307.16800	1.4
310.15402	1.1
320.17545	3.7
321.18375	4.0
322.15396	2.6
323.16214	0.9
324.17297	0.6
332.13895	1.0
334.19040	1.6
336.13593	2.6
336.17044	2.3
338.18546	0.7
350.15039	7.8
350.18915	1.0
351.15683	3.3
352.16187	0.7
352.20163	8.9
362.18619	3.8
364.16476	1.9
364.20340	0.8
365.17300	7.6
366.17941	2.1
378.17972	1.8
380.19672	76.6
381.19995	5.7
382.21246	20.0
383.21481	1.0
393.16876	2.9
395.14703	0.9
398.20816	1.1
406.17783	1.3
409.16022	0.9
410.20679	1.6
411.18112	1.0
425.19464	1.3
426.20215	100.0
427.16281	0.6
427.20651	6.8
456.21249	2.1
589.24536	0.8
590.24951	11.2
591.25568	1.4
620.25647	1.7
621.25214	1.6
651.26569	1.3
690.30231	12.3
691.30133	1.7
720.31281	12.9
721.31915	1.0
852.35425	32.3
853.35590	4.2
882.36481	75.8
883.36603	9.5
885.35620	0.7
897.35986	1.1
915.36780	3.3
916.35925	0.8
1047.40466	2.8
1077.41797	9.4
1078.42249	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1088.6357
Annotation	Unknow
Peak:m/z	Relative Intensity
76.80166	1.0
79.05489	18.5
81.03426	16.8
81.07054	25.6
83.01342	9.0
83.04981	13.0
83.08615	15.8
85.02894	7.5
85.06528	1.4
85.10189	7.0
91.05480	18.3
91.06020	1.6
93.07039	27.8
95.04962	8.3
95.08601	17.1
97.02872	6.3
97.06535	5.7
97.10171	3.9
99.04439	4.0
105.03408	2.2
105.04530	1.1
105.07021	11.2
107.04953	9.0
107.08588	15.3
107.40921	1.1
108.04483	1.6
109.02863	7.8
109.06542	7.1
109.10152	6.5
111.04440	3.3
111.08084	1.9
111.11721	1.5
115.05456	1.4
117.07001	8.1
118.17693	1.2
119.08563	10.5
121.06497	3.5
121.10146	8.2
121.10875	1.2
123.04457	1.4
123.08048	7.8
123.11699	2.0
124.40813	1.1
125.03706	1.1
125.09679	1.7
125.13214	1.1
127.03912	13.8
129.06987	2.4
130.07843	1.8
131.08592	2.9
133.10101	2.6
134.75139	1.0
135.08066	2.3
135.11690	15.4
137.09589	1.2
137.13174	1.1
145.04994	2.1
145.06534	1.5
145.10123	19.2
147.08070	1.9
153.12738	3.1
155.08582	2.7
163.11172	41.3
164.11528	1.4
173.09685	5.4
181.12192	5.9
191.10651	6.0
191.80679	1.1
209.11716	32.4
209.13539	2.3
227.12770	30.9
239.23740	1.5
257.24771	1.8
269.28061	1.0
281.13882	1.9
283.15390	80.8
284.15747	3.3
311.14868	2.4
313.27335	92.1
314.27664	4.9
353.15912	34.9
354.16196	1.9
371.17029	18.8
521.38367	100.0
522.38580	9.5
537.81421	1.2
705.24463	1.3
774.59845	1.1
871.74719	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0289
Annotation	p-Benzoquinone
Peak:m/z	Relative Intensity
50.01609	0.8
51.02379	2.0
53.00297	0.6
53.03951	36.8
54.04277	1.5
55.01876	20.6
55.05516	1.2
55.20161	0.4
56.96562	1.1
65.03941	2.6
67.01865	0.6
67.04249	1.5
67.05508	8.6
68.05044	0.5
69.03443	0.3
69.46510	1.5
79.05065	0.7
79.05500	9.7
80.02584	0.4
80.05026	1.1
81.03422	100.0
81.07058	9.8
81.07532	0.7
82.03748	3.0
82.06585	6.6
82.07386	0.4
91.05477	3.4
92.04988	0.5
93.05822	0.5
94.04185	2.4
98.23349	0.5
98.97561	0.8
105.00382	0.5
107.04961	1.4
109.02885	47.2
109.06526	10.1
109.07639	4.1
109.08393	0.5
109.10167	2.1
110.03226	1.6
110.06052	12.9
110.07200	0.6
119.06081	0.4
121.31015	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0651
Annotation	o-Cresol
Peak:m/z	Relative Intensity
53.03712	1.4
53.03945	16.4
55.01863	3.1
55.05515	11.6
65.03935	10.4
67.05504	100.0
68.05030	1.1
68.05840	2.2
69.07063	7.2
69.20259	3.0
69.20669	2.5
79.05489	28.2
81.03417	24.2
81.07053	54.4
82.03777	1.1
82.06578	3.3
82.07386	1.5
91.05476	19.7
94.04184	26.1
94.07826	1.7
95.05008	1.1
96.75492	0.8
105.07001	0.9
107.04958	9.5
107.07955	0.8
107.08573	4.0
109.02866	11.0
109.06516	56.1
109.07610	4.8
109.10152	41.2
110.06043	7.9
110.06867	2.5
110.10469	2.4
111.04442	1.7
119.06048	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01606	0.6
51.02388	0.7
51.44437	0.4
53.03951	13.1
55.01868	2.2
55.05515	12.1
65.03941	5.1
66.04723	1.1
66.70566	0.5
67.05507	100.0
68.05847	3.1
69.03459	0.4
69.07076	7.1
69.41087	3.1
78.01920	0.4
79.05496	21.7
80.05844	0.9
80.06278	1.1
81.03423	14.1
81.07059	40.4
82.06596	1.8
82.07401	1.7
91.05488	3.9
94.04191	2.7
94.07825	1.8
94.27790	0.5
95.04989	0.6
107.04989	1.0
107.08610	3.9
109.02881	5.8
109.06522	22.0
109.07673	1.5
109.10159	45.0
110.06046	3.8
110.06850	1.2
110.10500	2.0
121.29139	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
52.22996	0.3
53.03943	2.4
55.05510	12.0
56.05834	0.4
65.03941	5.1
66.04765	0.5
67.05503	100.0
68.05830	3.0
69.07069	6.0
79.05492	12.2
80.05836	0.7
80.06277	1.5
81.03423	1.2
81.05372	0.7
81.07053	33.6
82.06570	1.1
82.07390	1.2
91.05469	2.4
94.04188	1.4
94.07810	1.2
105.07029	0.7
107.04942	0.5
107.08572	3.2
109.02849	0.6
109.06516	7.4
109.07648	4.0
109.08490	1.4
109.10153	38.2
110.06050	5.9
110.10491	1.8
119.05959	0.4
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
50.52924	0.3
53.03952	2.3
53.74996	0.4
55.01876	0.4
55.05513	9.7
58.79061	0.3
65.03944	5.5
67.05508	100.0
68.05845	2.9
69.07075	6.0
70.43747	0.6
70.44074	0.4
74.38580	0.3
79.05498	14.3
80.05853	0.4
80.06276	1.2
81.03419	1.5
81.07062	31.8
82.07394	1.2
91.05478	1.8
94.04192	1.2
94.07825	1.2
105.07038	0.5
105.71899	0.4
107.04963	0.7
107.08583	2.9
109.02882	0.8
109.06526	7.9
109.10159	34.8
110.06059	0.4
110.10493	1.9
123.55183	0.4
127.99059	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.8
54.09945	0.4
55.01867	0.7
55.05512	11.7
55.19738	0.4
56.05850	0.4
60.63094	0.4
65.03944	6.5
66.04282	0.4
67.05504	100.0
67.71359	0.3
68.05836	2.8
69.07067	7.8
71.29601	0.4
79.05494	13.6
80.06277	1.2
81.03418	7.6
81.07054	36.7
82.06588	1.4
82.07386	1.4
85.96268	0.4
91.05487	4.0
94.04193	2.8
94.07833	1.6
105.07026	0.8
107.04971	0.8
107.08599	3.8
109.02871	3.0
109.06515	12.6
109.07690	1.3
109.10155	44.1
109.68115	0.4
110.06037	3.1
110.06723	0.6
110.10491	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	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03945	5.2
55.05510	12.1
65.03944	5.3
67.05503	100.0
68.05831	2.7
69.07064	7.6
69.81601	2.2
79.05490	16.0
80.06279	1.4
80.63821	0.6
81.03410	2.6
81.07056	35.0
82.07398	1.6
91.05489	3.0
93.06116	0.6
94.04182	1.9
94.07830	1.8
105.06998	0.8
107.04959	1.5
107.08593	2.5
109.02850	0.9
109.06504	8.5
109.07665	1.1
109.10152	48.0
110.06047	2.3
110.10476	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	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03948	2.7
54.20452	0.3
55.01873	0.4
55.05510	10.8
61.27602	0.4
65.03615	0.5
65.03942	4.3
66.04724	0.3
67.05503	100.0
68.05830	2.8
69.03435	0.5
69.07069	6.2
70.55339	1.0
79.05494	10.9
80.05049	0.4
80.05835	0.8
80.06267	2.1
81.03430	2.2
81.07053	34.7
82.06576	1.7
82.07390	1.2
84.83353	0.3
91.05471	1.9
94.04171	1.1
94.07835	1.7
105.07007	0.9
107.08586	3.3
109.02885	0.8
109.06511	4.6
109.07687	2.5
109.10150	35.2
110.06049	4.4
110.10519	1.9
124.74835	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03950	2.9
55.05514	10.3
59.86164	0.4
65.03945	5.4
66.18478	0.4
67.05507	100.0
67.81398	0.4
68.05840	2.9
69.07067	6.7
69.07415	0.5
70.33470	1.2
79.05496	11.4
80.05854	0.4
80.06292	1.6
81.03413	2.0
81.07059	32.6
82.06580	0.7
82.07407	1.3
83.38173	0.4
83.99744	0.4
87.23193	0.4
91.05499	2.3
94.04201	0.7
94.07841	1.4
98.23270	0.4
105.07007	0.5
107.04953	0.5
107.08604	4.1
109.02917	0.8
109.06534	3.8
109.07642	1.5
109.10156	39.8
110.06052	2.1
110.10500	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.0604
Annotation	2-Aminophenol
Peak:m/z	Relative Intensity
53.03939	0.6
55.01873	0.7
55.05513	1.5
57.24743	0.3
65.03940	41.7
66.04283	0.9
67.04253	0.5
67.05496	0.5
69.44930	1.7
69.68588	0.4
77.89095	0.4
80.05020	0.4
82.03754	0.4
82.06578	3.0
83.04958	0.7
90.19762	0.4
92.05003	89.3
93.03401	7.6
93.05346	3.1
93.07001	0.4
98.23340	0.6
106.84602	0.4
107.84202	0.4
110.06040	100.0
111.04443	10.9
111.05650	0.6
111.06371	3.2
112.04804	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0444
Annotation	Catechol
Peak:m/z	Relative Intensity
50.01590	1.9
51.02386	7.6
53.03947	49.3
54.04269	2.0
55.01870	3.2
55.05512	76.8
56.05837	2.2
56.96567	11.9
57.03439	0.7
59.84541	0.6
65.03941	6.1
67.05499	0.6
68.02647	30.1
68.99767	1.1
69.03062	0.6
69.03433	3.4
69.04559	1.0
69.07070	0.8
69.98784	2.2
70.06583	1.5
71.95269	2.1
73.06549	3.3
79.01857	3.4
81.03433	0.9
82.05322	3.8
83.01351	1.7
83.04980	58.6
83.06051	3.5
84.02122	2.0
84.04498	1.2
84.05320	2.2
84.08109	0.7
87.29858	0.6
88.47433	0.6
90.81448	0.7
94.04041	0.6
95.01322	2.8
95.02456	5.7
96.02110	19.2
98.23312	0.7
101.06049	1.4
110.97542	4.3
111.04440	100.0
111.05505	3.8
111.09199	1.2
112.04033	0.9
112.05118	15.4
112.07632	2.9
114.45298	0.6
128.98601	3.5
129.04039	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	1.5
50.88445	0.8
51.02193	0.8
51.02388	9.2
51.49797	0.7
53.03951	62.6
54.04277	2.5
55.01875	4.7
55.05515	88.8
56.05051	1.1
56.05834	3.1
57.03429	1.6
65.03946	5.0
68.02652	38.2
68.99783	2.5
69.00666	6.4
69.01070	2.0
69.03004	1.0
69.03428	2.3
69.07082	4.0
70.94274	0.8
71.01349	1.7
73.06550	3.5
79.01854	4.5
83.01360	2.5
83.04986	64.1
84.02119	2.2
84.04521	1.0
84.05322	2.0
91.05492	1.2
93.07058	1.9
96.02117	24.3
98.22648	2.1
100.51266	0.8
101.06006	1.7
105.71082	0.8
109.73469	0.7
111.04448	100.0
111.05650	2.6
111.08062	3.8
112.03957	2.5
112.04794	3.3
112.07597	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	111.0443
Annotation	Catechol
Peak:m/z	Relative Intensity
50.01595	1.9
51.02381	7.4
53.00307	0.8
53.03947	61.1
54.04280	2.1
55.01876	4.1
55.05512	84.5
56.05032	1.0
56.05841	2.6
57.03425	1.4
65.03943	4.9
67.05481	1.6
68.02647	35.4
68.99789	2.3
69.03021	1.0
69.03414	3.6
69.07054	1.7
70.56551	0.8
70.95864	0.8
71.01343	0.9
71.29882	0.8
73.06551	3.2
79.01853	4.5
83.01331	2.2
83.04980	65.3
84.02123	2.2
84.04518	1.8
84.05302	2.3
91.05479	2.1
93.07032	3.2
95.04951	0.8
96.02106	23.1
97.02415	1.1
101.06050	1.4
111.04440	100.0
111.08056	5.5
112.04003	1.8
112.04777	3.6
112.07598	1.9
124.40377	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1114.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03892	1.8
79.05499	21.6
80.03821	1.8
81.03419	25.1
81.07063	19.8
83.01375	2.0
83.04980	19.9
83.08618	6.5
83.94633	1.7
85.02888	4.4
85.06538	2.2
91.05482	25.0
93.07046	24.9
95.04978	8.8
95.08614	7.4
97.02868	4.6
97.06521	3.4
97.10153	2.5
105.07026	16.0
107.04281	1.7
107.04975	4.3
107.08597	10.7
109.06532	4.1
109.10165	5.7
111.04437	1.7
115.05418	2.5
115.43415	1.8
117.03352	1.9
117.07022	5.9
119.08560	11.0
121.10139	14.9
121.79983	1.6
123.08089	3.7
123.11644	2.0
127.03894	2.2
128.06168	1.7
129.06978	6.6
131.04860	2.2
131.08578	6.9
132.09331	2.2
133.10143	5.6
135.04428	2.9
135.11693	4.7
137.09550	2.0
145.06522	2.7
145.10135	6.1
147.04443	3.5
147.08049	2.0
147.11690	6.9
149.09605	6.5
155.08586	1.7
157.06519	3.7
157.10074	2.4
159.04413	8.1
161.02373	5.2
163.03918	34.2
163.11169	9.4
165.12790	4.2
173.02304	14.1
173.05931	3.9
175.03920	2.0
175.11238	4.2
176.11905	2.7
181.06540	2.4
185.05960	4.5
187.03862	15.1
189.05515	2.1
193.12236	2.3
199.03877	10.7
199.07533	3.4
201.05452	5.4
203.03369	2.4
213.05412	16.5
225.05533	4.1
225.47569	1.9
227.07005	4.8
239.14403	2.5
265.12045	2.0
267.13779	12.3
283.15512	17.3
293.11664	3.8
311.12704	7.0
311.16232	3.7
337.14392	5.9
355.15417	31.1
364.98013	1.6
411.17905	4.4
429.19104	72.0
430.19153	3.8
447.20251	4.5
597.47253	1.9
619.28827	4.8
637.30017	44.4
638.30444	5.0
655.31085	100.0
656.31238	11.1
720.67017	2.0
737.35046	4.9
755.35620	5.4
781.33496	2.5
1115.41980	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	1125.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
81.93507	0.6
87.59619	0.6
95.20471	0.8
96.30079	0.7
118.08212	0.6
184.07381	2.7
236.14934	1.4
253.37157	0.9
265.53238	0.6
397.13123	1.9
398.13791	0.7
410.13770	2.4
411.14597	4.9
412.15204	3.3
412.95602	0.7
413.16101	1.0
423.15002	1.2
424.15714	1.1
425.16257	8.0
426.16910	6.7
427.17392	2.0
428.18497	2.3
438.13211	3.0
439.13287	9.2
440.13498	1.2
440.19244	3.6
441.19327	24.8
442.19614	3.0
452.14709	2.8
453.15201	11.9
454.15826	3.7
467.17068	20.2
468.17746	13.4
469.18570	10.6
470.19141	1.5
480.14246	1.0
481.14771	12.3
482.15021	3.8
495.16321	11.6
496.16962	20.0
497.17752	4.3
498.19064	1.0
499.19821	1.2
509.18332	2.1
510.84088	0.7
513.21307	0.7
514.22235	1.5
523.20184	0.8
527.22656	2.2
540.19684	0.8
555.22418	21.4
555.30585	1.5
556.22601	2.8
583.21851	66.1
584.22070	10.8
587.24249	0.8
611.21149	1.8
615.24121	6.2
642.23236	12.3
643.23865	100.0
644.23981	13.7
895.54559	0.8
903.27515	0.7
1125.60400	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.06
Annotation	Parasorbic acid
Peak:m/z	Relative Intensity
53.03940	1.4
55.05512	9.7
57.03432	5.1
57.07076	77.3
58.07405	2.9
65.03942	12.1
65.88927	1.3
67.05505	100.0
68.05034	1.9
68.05842	2.7
69.07069	6.5
70.94026	2.6
71.04989	19.3
71.94120	1.6
71.95268	2.8
72.93793	14.4
79.05497	5.6
85.06541	33.0
86.06080	1.6
90.94819	4.0
95.04972	32.1
96.04488	4.6
96.05272	1.7
96.08118	2.7
113.02404	2.9
113.06001	17.0
114.05523	1.9
114.09167	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	113.0601
Annotation	Parasorbic acid
Peak:m/z	Relative Intensity
51.02381	3.0
53.03947	83.8
54.04294	2.9
55.01647	0.7
55.01870	4.5
55.05511	100.0
56.05850	3.4
56.96569	9.6
57.03442	5.9
57.07085	1.3
59.05005	9.3
67.01871	3.7
67.05503	4.9
68.02630	0.9
68.05028	5.5
69.03430	5.4
69.07066	2.3
70.02960	4.1
70.03761	0.8
70.64345	0.6
71.04993	7.1
71.94095	4.4
71.95261	10.9
72.04520	0.9
72.08140	0.7
72.93788	13.3
79.05487	2.7
81.03418	58.3
82.03754	1.7
83.04974	2.6
84.04509	0.9
85.02898	1.9
85.06544	19.5
86.06063	1.3
90.94842	3.7
92.65050	0.6
95.01328	1.9
95.04961	1.9
95.06092	2.9
96.00852	2.2
96.04482	9.0
96.08120	1.2
97.02894	2.8
100.02477	1.3
111.02937	1.7
113.00025	1.3
113.02366	32.7
113.03511	4.6
113.04802	1.1
113.06023	20.0
113.07936	1.3
113.10772	1.4
113.62279	0.6
114.02682	1.4
114.05537	3.4
114.06523	1.5
114.09159	13.8
114.10040	1.0
114.10289	1.1
119.01933	2.0
131.00186	1.1
131.01891	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	1144.5173
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05495	23.8
81.03415	21.1
81.07057	16.1
83.01360	1.8
83.04991	8.4
83.08622	4.6
85.02899	2.2
85.06556	1.9
89.03915	2.9
91.05482	22.5
92.66992	1.2
93.07037	22.1
95.04953	8.8
95.08605	8.0
97.02866	3.6
97.06525	3.3
97.10175	3.7
99.04457	2.4
103.05464	2.6
105.07031	17.3
107.04964	5.0
107.08575	10.0
109.06516	3.8
109.10152	4.9
111.04465	3.4
111.08085	1.6
115.05484	3.7
117.07007	5.3
119.08557	9.3
121.06531	3.8
121.10146	14.0
123.08086	4.3
123.11713	1.7
127.18888	1.6
129.06978	5.0
129.29929	1.2
131.04936	2.6
131.08530	7.1
133.02835	2.3
133.10109	4.3
135.04424	2.6
135.11705	4.9
143.04926	2.6
145.02840	3.5
145.10165	6.5
147.04408	5.5
147.11690	7.7
149.05981	2.4
149.09613	5.6
151.11174	2.0
154.77893	1.3
157.06529	3.9
157.10100	3.0
159.04391	9.8
161.02342	5.9
163.03920	30.9
163.11201	7.5
165.12849	2.3
169.06593	1.8
171.04430	2.0
173.02341	17.1
173.05986	4.4
173.93382	1.4
175.03897	2.2
175.07452	2.1
175.11116	2.0
176.11951	2.1
177.05528	1.5
177.12888	1.5
178.36014	1.4
181.06480	1.4
185.05966	5.9
187.03934	20.5
187.07523	2.0
189.05426	2.0
193.12196	2.5
196.67809	1.4
197.05922	3.2
199.03911	10.6
199.07506	2.8
201.05486	5.8
203.03349	2.2
209.11691	1.8
211.07527	2.4
213.05478	19.4
214.05769	1.6
221.09512	1.4
223.07443	1.8
225.05377	4.4
227.07077	3.0
227.12672	1.8
229.05026	1.6
239.07034	2.3
243.06444	1.6
267.13834	13.3
283.15610	17.6
285.14847	1.8
293.11737	5.2
311.12796	5.8
311.16245	2.3
327.15829	2.7
337.14288	6.3
355.15408	26.7
356.15445	3.6
373.16287	3.6
389.93427	1.4
411.18021	4.6
429.19070	75.7
430.19476	4.6
447.20053	2.8
469.16104	1.5
469.64502	1.4
591.23907	2.1
619.28735	6.6
637.29950	50.6
638.30353	4.0
655.31122	100.0
656.31488	13.7
686.29865	1.6
781.34351	1.9
799.35291	12.8
1144.45740	1.7
1145.45764	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0394
Annotation	Siphonodin
Peak:m/z	Relative Intensity
52.90987	0.6
53.00303	3.5
54.04266	0.8
55.01871	1.6
55.05496	0.8
56.05043	1.5
56.96570	2.5
57.03431	0.9
59.19244	0.6
65.27937	0.5
65.47150	0.6
69.03432	100.0
70.03762	2.0
70.06597	3.1
70.54797	1.2
70.74026	0.6
73.02928	0.9
74.93819	0.7
84.04523	1.1
85.02905	0.8
87.04513	0.9
97.02895	79.2
98.03248	3.0
98.09713	0.6
115.03931	19.2
116.04270	0.6
119.01926	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19651	0.3
55.05502	0.7
63.02361	0.7
65.03932	2.1
67.16119	0.3
68.52995	0.3
69.03419	1.2
69.07081	0.5
69.41706	1.0
69.42117	0.8
70.06593	5.7
70.07410	0.4
73.06557	0.4
74.93813	0.7
85.02884	0.3
89.03915	5.1
90.05275	0.3
115.05453	100.0
115.09483	1.0
116.06276	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	115.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79764	0.3
55.05503	0.5
61.84835	0.4
63.02375	0.6
65.03940	2.1
69.03427	0.6
69.07026	0.5
69.77990	0.4
70.06586	6.3
74.93839	0.5
75.61949	0.3
87.19246	0.4
89.03928	5.4
96.82883	0.4
97.02873	0.6
98.23328	1.5
115.05454	100.0
115.09496	1.1
116.06274	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.071
Annotation	L-Proline
Peak:m/z	Relative Intensity
53.03954	0.2
55.05513	0.6
56.05040	1.9
57.03448	0.1
64.93259	0.1
66.33403	0.1
68.05034	0.6
69.03427	0.6
69.94460	0.4
70.03770	1.0
70.06596	100.0
71.05000	0.8
71.06310	0.3
71.06924	2.8
71.07301	0.2
74.06069	0.2
74.70742	0.1
74.93843	0.4
84.04515	2.0
98.03227	0.9
98.06062	0.3
98.09696	0.2
98.97576	0.2
99.04452	0.5
109.37387	0.1
116.04281	0.2
116.07097	7.0
116.10758	0.2
117.05476	0.1
117.07459	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02372	1.8
52.67525	0.7
53.03951	15.5
54.04262	0.8
55.05500	2.7
57.09614	0.6
58.06593	2.8
59.04989	0.8
59.07371	2.4
59.93102	1.3
65.03945	6.3
70.80139	1.8
70.80466	0.8
72.08160	4.3
73.02921	2.0
76.93365	6.6
77.03926	3.2
81.03415	1.1
82.07385	0.7
85.59876	0.7
91.05484	84.1
92.05840	1.6
94.94421	3.5
95.04967	18.8
96.05341	1.2
103.05481	1.0
104.06217	1.1
105.04512	6.8
112.95449	1.1
117.05771	5.7
117.07040	2.0
118.06548	100.0
118.08628	5.8
119.04968	6.5
119.06055	3.5
119.06773	5.4
119.08572	7.0
133.91090	0.8
135.96928	0.8
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
50.01606	3.5
51.02372	9.1
53.03951	89.0
54.04282	2.4
55.01883	4.5
55.62029	2.1
58.06596	4.8
59.07378	3.5
65.03922	2.8
77.03934	16.1
79.05495	3.7
81.03414	8.9
83.04965	2.5
91.05487	66.0
93.07047	4.2
95.04972	100.0
98.22639	6.3
103.05482	6.8
104.06250	4.9
105.04523	48.9
115.05479	2.9
116.05765	5.5
117.07024	19.0
118.06551	94.8
118.07240	3.5
118.08605	10.8
119.06113	6.5
119.06862	5.6
119.08585	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0865
Annotation	Betaine
Peak:m/z	Relative Intensity
53.03945	0.6
55.05514	11.6
56.05833	0.5
56.96565	0.8
57.03429	0.4
57.05820	0.5
58.06599	43.5
59.04996	0.9
59.07383	41.2
60.07713	0.7
70.06584	1.5
70.60468	0.5
71.06927	0.4
72.08155	33.4
73.08476	1.1
76.93398	0.3
83.04984	2.4
91.05476	2.7
92.32764	0.3
118.08652	100.0
119.03539	0.5
119.04971	0.4
119.06087	0.4
119.09020	3.0
135.60248	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57731	3.4
55.05515	6.0
56.96572	5.3
60.95155	3.6
67.05510	6.4
69.53412	17.1
81.07040	4.1
91.05476	7.2
101.00873	29.8
103.02467	9.0
105.90166	3.3
107.43616	3.3
116.05802	5.7
119.01932	100.0
120.02021	8.8
137.02959	31.0
138.03038	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	119.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92957	0.5
65.03941	21.5
66.04271	1.0
71.05651	0.9
91.05482	100.0
92.05819	4.5
103.05441	0.6
109.11363	0.5
117.07011	1.0
119.04942	30.1
119.08615	3.5
120.05229	1.3
120.08073	0.6
124.17407	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.03960	1.1
55.64236	0.5
65.03942	22.0
69.20839	0.5
70.48875	0.5
79.05491	1.1
91.05482	100.0
92.05812	4.2
93.07035	0.6
95.04953	1.0
98.22641	1.2
103.05476	2.3
104.06258	1.7
117.06320	0.5
117.06999	3.0
119.04945	28.9
119.08569	9.4
120.05278	1.6
120.08108	1.0
120.08907	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
57.52592	0.5
65.03941	25.3
66.04288	0.7
74.69461	0.5
91.05479	100.0
92.05813	4.7
98.23436	1.4
105.44888	0.5
112.07355	0.4
117.07012	0.8
119.04940	36.1
119.08591	2.2
120.05267	1.8
129.04453	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.7
55.01882	0.7
55.05512	100.0
56.05843	3.2
57.03438	5.9
59.05001	65.1
59.99404	0.6
60.05351	1.1
65.03944	2.1
70.31505	0.6
70.32908	1.2
72.44312	0.6
73.06556	8.3
74.06061	0.6
79.05508	1.4
83.04980	24.4
83.05455	1.3
91.05482	20.4
93.07047	11.9
95.04993	2.2
97.88383	0.5
101.06018	45.8
102.06368	1.9
103.05467	73.3
105.04513	1.6
118.06593	1.7
119.03625	0.7
119.04971	1.8
119.06084	0.8
119.07340	1.1
119.08610	1.9
120.08105	75.5
128.73808	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0706
Annotation	5-Hydroxypentanoate
Peak:m/z	Relative Intensity
53.03950	5.7
55.01882	0.7
55.05512	100.0
56.05843	3.2
57.03438	5.9
59.05001	65.1
59.99404	0.6
60.05351	1.1
65.03944	2.1
70.31505	0.6
70.32908	1.2
72.44312	0.6
73.06556	8.3
74.06061	0.6
79.05508	1.4
83.04980	24.4
83.05455	1.3
91.05482	20.4
93.07047	11.9
95.04993	2.2
97.88383	0.5
101.06018	45.8
102.06368	1.9
103.05467	73.3
105.04513	1.6
118.06593	1.7
119.03625	0.7
119.04971	1.8
119.06084	0.8
119.07340	1.1
119.08610	1.9
120.08105	75.5
128.73808	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.6
53.03948	3.6
54.04273	0.4
65.03936	7.7
67.05489	0.6
72.99776	0.4
77.03928	1.0
78.04729	1.5
79.05497	9.0
91.05479	100.0
92.05800	5.0
93.07043	4.2
95.04969	3.1
96.05299	0.6
102.04723	0.4
103.05470	11.6
104.05621	0.7
104.06256	12.0
105.04529	2.3
109.06548	0.5
115.05453	5.8
116.05732	0.6
117.07014	20.4
118.06599	0.4
118.07364	1.2
119.04960	5.2
119.06072	1.9
119.08577	82.6
120.04461	0.4
120.05611	1.1
120.08096	1.8
120.08913	4.3
129.91223	0.4
131.06067	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.3
52.18465	0.3
52.80054	0.3
53.03943	2.1
54.04276	0.6
63.02364	0.5
63.86107	0.3
65.03940	12.4
67.05470	0.4
69.50716	2.0
74.68539	0.3
76.79065	0.4
77.03935	0.8
77.53067	0.3
78.04713	0.7
79.05486	5.3
79.57906	0.3
91.05479	100.0
92.05814	4.9
93.07044	3.3
95.04969	2.4
98.23328	0.6
103.05466	9.2
104.06260	7.3
105.04524	0.9
105.07101	0.4
109.06504	0.6
115.05450	4.5
117.07016	15.0
118.07361	1.0
119.04945	12.5
119.08575	50.2
120.05288	0.6
120.08089	2.1
120.08925	3.1
121.06461	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03949	4.2
56.99892	0.6
61.26671	0.6
63.47680	0.6
65.03938	5.2
69.22745	5.1
78.04711	1.3
79.05496	7.7
91.05486	100.0
92.05832	4.6
93.07053	6.6
95.04959	3.4
100.29190	0.6
102.09187	2.1
103.05472	14.7
104.05625	0.8
104.06265	12.8
105.04513	2.5
109.06532	1.1
115.05462	6.8
116.85937	0.7
117.07024	34.7
118.07333	1.1
119.04959	1.0
119.06087	1.7
119.08585	84.6
120.08105	1.3
120.08923	5.6
120.10188	0.6
121.06527	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03949	4.5
55.53426	0.5
56.94342	0.5
57.02983	0.5
57.61477	0.5
61.04897	0.5
65.03941	5.1
67.05520	0.5
70.26132	1.2
70.26483	0.5
77.03913	1.1
78.04708	1.8
79.05494	9.5
89.80766	0.6
91.05480	100.0
92.05813	4.7
93.07039	4.9
95.04951	3.1
103.05462	14.5
104.06252	14.4
105.04509	2.0
105.06514	0.7
105.07118	0.7
109.06530	0.8
113.72732	0.5
115.05447	6.4
117.07023	18.5
118.07348	1.2
119.04961	1.8
119.08579	98.3
120.08108	0.8
120.08918	7.5
121.06481	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.23185	0.4
51.52744	0.3
53.03958	3.2
54.04284	1.1
55.01868	0.3
55.05519	0.4
65.03947	10.8
70.60538	0.7
70.60899	0.7
72.99083	0.3
74.21627	0.3
75.76547	0.3
77.03941	0.5
78.04713	1.2
79.05499	5.9
91.05489	100.0
92.05004	0.5
92.05271	0.4
92.05822	4.4
93.07043	4.3
95.04977	3.5
96.05312	1.2
103.05475	11.1
104.05627	0.5
104.06271	10.3
105.04539	1.4
105.07120	0.9
106.04882	0.4
109.06534	0.7
115.05473	5.1
116.05775	0.5
117.07027	18.3
118.07372	1.2
119.04956	9.0
119.06071	1.6
119.06849	1.7
119.08589	54.4
120.04453	0.8
120.05518	1.4
120.08109	1.8
120.08923	3.7
121.03950	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02377	0.5
53.03945	3.6
58.22664	0.4
63.27435	0.4
65.03943	6.6
67.05492	0.5
70.13537	1.2
75.73565	0.4
77.03932	0.8
78.04713	1.6
79.05495	8.2
91.05479	100.0
92.05804	4.6
93.07045	6.5
95.04963	3.9
102.04677	0.5
103.05463	15.5
104.05621	0.7
104.06258	13.1
105.04536	1.5
105.06551	0.6
109.06511	0.6
112.60076	0.4
115.05449	6.8
116.05794	0.4
117.07016	33.2
118.07304	2.1
118.13825	0.4
119.04951	2.5
119.06075	1.3
119.08578	72.8
120.05564	0.6
120.08092	0.9
120.08920	4.2
121.06537	0.5
131.06102	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.9
65.03941	15.6
66.04272	0.5
70.15598	0.4
70.15942	1.5
77.03916	0.4
78.04707	1.4
79.05490	4.4
80.05843	0.3
91.05479	100.0
92.05822	5.2
93.07042	3.3
95.04970	2.1
103.05478	6.4
104.06258	8.4
105.04555	0.7
105.63448	0.4
115.05445	4.0
115.48290	0.4
117.06204	0.9
117.07014	14.1
118.07346	0.7
119.04093	0.9
119.04940	16.0
119.08577	50.0
120.05360	0.8
120.08151	0.6
120.08894	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.6
53.03943	3.6
65.03946	5.6
69.85040	1.6
77.03919	0.5
78.04706	0.8
79.05492	6.8
85.96577	0.4
91.05481	100.0
92.05817	5.6
93.07043	5.5
94.07413	0.5
95.04977	3.4
96.05276	0.7
102.04704	0.6
103.05461	15.6
104.05621	0.6
104.06259	12.6
105.04500	1.2
105.06574	0.9
109.06533	1.0
115.05449	7.5
117.07018	34.2
118.07327	2.4
119.04945	1.4
119.06075	1.2
119.08579	75.1
120.04489	0.6
120.05592	0.7
120.08104	1.9
120.08919	4.7
121.06547	0.8
131.06027	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.9
63.02390	0.4
65.03944	14.6
65.04291	0.8
66.04272	0.5
69.83427	1.2
74.27765	0.3
77.40515	0.4
78.04723	1.0
79.05496	5.7
91.05486	100.0
92.05818	4.8
93.07055	3.1
95.04990	2.5
102.04710	0.6
103.05462	7.5
104.06265	7.0
105.04547	1.0
115.05463	3.6
117.07021	12.0
118.04175	0.5
118.07346	1.0
119.04095	0.8
119.04952	16.6
119.08588	53.1
120.05295	1.1
120.08118	0.9
120.08936	3.5
129.13486	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	1.1
55.05517	1.8
56.96569	47.8
58.95427	4.5
60.95143	100.0
60.95837	3.3
61.95210	7.6
61.95481	1.3
65.03955	1.9
71.28192	0.9
71.28569	1.2
71.95267	9.4
74.93166	1.2
74.97623	0.9
75.61829	0.8
77.00905	1.0
77.97800	2.1
78.92444	5.9
78.93139	1.5
78.96198	5.3
79.05501	1.6
81.07075	1.0
82.99830	1.3
87.01933	1.1
91.05477	2.9
92.01295	1.0
93.07059	2.7
95.98824	1.4
96.97191	2.3
96.99767	1.5
98.97586	64.2
100.02498	7.9
101.00878	13.8
101.95020	1.0
101.97767	5.5
102.00999	4.1
102.02245	3.4
102.96880	4.1
103.00645	2.7
103.02460	4.0
103.05482	6.9
104.02564	1.3
105.02201	1.7
106.00278	2.3
106.02658	2.3
111.04453	8.0
115.02451	1.3
116.98630	56.2
117.05651	1.3
118.03530	23.2
118.52744	1.0
119.01923	65.3
119.89545	1.8
119.98796	28.5
120.02012	24.6
120.03232	8.3
120.04480	1.7
120.05596	3.1
120.08109	8.0
120.97906	6.5
120.98826	1.8
121.01675	14.2
121.03522	2.7
123.03223	1.7
124.02412	1.3
124.22129	0.8
124.97590	3.3
127.33776	1.0
133.98109	9.2
134.99657	38.8
136.04550	21.4
137.02963	30.1
137.04648	2.2
137.99832	46.6
138.03072	12.2
138.04317	10.5
138.98924	3.2
139.00014	5.2
139.02701	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	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02377	2.1
53.03947	18.8
55.01864	3.1
55.05515	7.6
65.03940	8.1
66.78989	0.8
67.05496	3.0
69.66383	0.8
69.66677	4.1
71.11277	0.9
76.14732	0.7
77.03930	3.4
78.04692	0.8
79.05494	59.6
80.05807	2.3
80.06262	1.5
81.03410	1.6
81.07052	5.2
91.05482	59.7
92.05817	3.0
93.03413	0.8
93.07043	100.0
94.06552	3.1
94.07356	4.3
95.04968	21.4
98.22753	1.3
103.05469	27.8
104.05016	1.1
104.05781	1.8
105.04518	10.2
105.07030	78.5
106.06612	1.6
106.07919	5.8
107.07340	17.2
111.04427	1.8
119.08572	10.7
121.02876	5.5
121.04001	2.2
121.06512	16.3
121.08382	1.1
121.10142	35.5
122.06014	5.2
122.06837	1.7
122.09666	19.5
122.10471	2.6
123.08089	4.9
133.07635	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	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.32513	0.6
51.02378	1.6
53.03946	20.8
55.01865	1.4
55.05514	9.8
65.03949	3.7
67.05505	5.2
69.12541	2.8
69.12964	2.6
77.03927	4.8
78.04706	1.8
79.05492	62.2
80.05825	2.3
80.06274	1.0
81.03413	2.9
81.07046	3.2
81.88227	0.6
91.05481	58.7
92.05794	2.9
93.07043	100.0
94.06564	1.2
94.07381	4.4
95.04969	22.2
96.05288	0.9
101.68656	0.7
103.05467	16.9
104.05791	1.7
105.04521	11.7
105.07029	70.7
106.06671	0.8
106.07253	2.0
106.07920	4.7
107.04988	0.8
107.07334	8.7
119.08575	10.7
121.02866	1.8
121.06506	32.1
121.10139	37.9
122.06033	1.6
122.06847	2.3
122.09676	11.3
122.10474	2.5
123.08071	4.6
133.07622	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	121.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.1
53.03950	8.8
55.05507	1.5
55.39784	0.7
65.03954	1.4
67.05492	1.2
70.37209	1.1
70.37553	1.7
77.03922	1.8
79.05495	42.9
80.05016	1.3
80.05827	1.5
81.07050	1.8
87.77515	0.8
91.05489	16.7
92.05810	0.8
93.07044	16.5
94.06558	1.0
94.07365	1.0
95.04963	7.7
103.05472	21.7
105.04521	2.9
105.07034	100.0
106.07261	2.6
106.07813	5.0
107.07337	4.5
118.60572	0.7
119.07787	1.1
119.08587	14.0
120.05722	0.8
120.08936	1.0
121.02885	1.9
121.03982	1.0
121.06516	3.4
121.10145	39.0
121.11028	1.9
122.06026	4.0
122.09655	9.3
122.10479	2.4
123.08061	8.3
133.07623	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	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02373	0.5
53.03951	7.8
55.05516	1.3
65.03949	2.5
66.93732	0.5
67.05511	1.3
69.05949	0.9
69.06356	3.0
77.03937	1.8
79.05495	42.5
80.05047	0.8
80.05829	2.0
81.03451	0.8
81.07056	1.2
91.05479	15.6
92.05778	0.8
93.07047	20.8
94.06567	1.3
94.07366	0.8
95.04975	9.0
98.23385	0.9
103.05468	20.4
104.05771	1.3
105.04539	3.8
105.07031	100.0
106.07298	3.1
106.07819	5.9
107.07341	8.6
107.08045	0.9
119.08584	15.6
120.05669	1.1
121.02866	2.1
121.04007	0.8
121.06545	3.2
121.10142	44.4
122.06036	1.6
122.09665	7.5
122.10497	3.2
123.08063	8.6
124.08450	0.5
133.07602	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	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02386	1.6
53.03950	11.3
55.01860	1.9
55.05510	1.1
65.03932	2.9
67.05491	2.1
77.03918	2.6
78.04710	1.7
79.05495	48.8
80.05848	1.5
81.03433	1.5
81.07048	1.6
81.19603	0.8
88.45672	0.8
91.05482	27.1
93.07047	25.5
94.06571	1.3
94.07854	1.1
95.04967	13.1
98.22620	3.3
103.05476	25.9
104.05761	1.0
105.04539	6.7
105.07031	100.0
106.07301	3.7
106.07819	5.8
107.04957	40.1
107.07335	6.0
119.08587	12.1
120.05657	1.1
121.02894	1.5
121.06511	24.7
121.10149	47.5
122.06009	2.6
122.07337	8.9
122.09664	8.0
122.10477	2.5
123.08065	9.0
131.84895	0.9
133.07626	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	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02370	2.1
52.07862	1.0
53.03719	1.0
53.03949	15.1
55.01873	1.5
55.05511	15.8
65.03933	3.5
67.05499	7.1
69.52595	3.9
69.53001	2.0
71.67693	0.9
76.03271	0.9
77.03920	3.7
79.05492	82.7
80.05018	2.9
80.05831	2.7
80.06258	1.2
81.03406	1.7
81.07050	3.4
91.05479	44.4
92.05781	1.9
93.04534	1.0
93.05795	2.2
93.07040	76.1
94.06570	2.4
94.07371	3.2
95.04967	19.4
98.23458	0.9
103.05465	22.7
105.04522	8.0
105.07030	100.0
106.07305	4.1
106.07951	7.1
107.07345	8.1
119.08582	15.2
120.08846	1.4
121.02853	2.1
121.04001	1.6
121.06544	5.8
121.07649	1.3
121.10140	49.1
122.06062	6.9
122.06841	1.4
122.09659	16.2
122.10483	3.9
123.08070	7.8
133.07613	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	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02381	2.9
53.03949	20.5
54.04282	0.8
55.01869	1.7
55.05518	10.9
56.15138	0.7
64.47629	0.7
65.03945	3.1
65.88541	0.7
67.05511	5.1
71.02061	1.2
77.03936	5.1
78.04707	0.8
79.05495	64.3
80.05829	2.5
80.06258	1.2
81.03429	2.1
81.07069	4.8
91.05484	59.0
92.05826	1.9
93.07047	100.0
94.07384	4.5
95.04367	1.2
95.04974	23.8
96.05309	0.9
103.05474	17.5
104.05826	1.2
105.04521	11.3
105.07036	66.0
106.04882	0.7
106.06612	1.5
106.07317	2.6
106.07833	4.1
107.04958	1.4
107.07339	10.6
113.27681	0.6
119.08578	10.7
120.05748	1.1
121.02876	1.1
121.04036	0.8
121.06509	34.6
121.10149	39.4
122.06832	1.6
122.09670	8.7
122.10516	2.2
123.08080	4.4
133.07631	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	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02386	1.3
53.03947	8.2
55.05512	0.7
57.28678	0.5
65.03930	0.9
67.05547	0.6
71.10110	0.8
71.10446	0.9
77.03934	2.3
78.04706	1.3
79.05492	42.0
80.05831	1.2
81.07063	0.8
91.05479	15.4
92.05828	0.7
93.06474	1.2
93.07037	15.5
95.04958	9.8
98.43089	0.6
99.75712	0.6
99.96221	0.6
102.16837	0.6
103.05465	21.0
104.05712	0.8
104.06307	0.9
105.04552	4.0
105.07027	100.0
106.07278	2.8
106.07926	6.8
107.04948	29.8
119.08582	14.7
120.05698	1.0
120.08913	0.7
121.06507	10.9
121.10138	48.7
122.07326	6.5
122.09696	0.9
122.10476	2.7
123.08062	10.2
131.82542	0.6
133.07610	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	121.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.9
53.03948	9.3
55.01866	1.8
55.05505	1.3
56.76743	0.6
65.03922	4.0
67.05517	1.5
77.03927	2.0
78.04700	1.5
79.05490	45.2
80.05022	1.0
80.05809	1.0
80.06269	0.7
81.03422	1.5
81.07036	1.3
91.05476	21.4
92.05796	1.3
93.07042	24.7
94.06561	1.2
94.07343	0.8
95.04958	11.9
95.26287	0.7
103.05469	21.2
104.05743	0.9
105.04517	5.5
105.07027	100.0
106.07309	3.1
106.07824	4.3
107.04948	38.8
107.07342	6.2
107.08045	1.1
115.66785	0.8
119.08572	14.1
121.02834	3.0
121.04039	1.3
121.06499	21.5
121.10139	45.4
122.06032	2.9
122.07304	8.7
122.09657	8.9
122.10491	3.0
123.08059	10.5
133.07625	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	122.0364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.01874	2.0
55.05497	0.7
55.83929	0.4
55.90340	0.4
57.07094	0.5
64.25377	0.4
65.03942	13.6
66.04726	74.2
67.05064	1.7
67.05508	1.6
70.65184	1.1
72.46658	0.4
79.01885	0.5
79.05515	2.3
80.05028	4.1
80.05807	0.6
81.03423	0.6
81.04577	0.5
81.07053	8.0
91.05470	0.5
93.03418	1.9
93.05784	1.5
94.04190	100.0
94.06568	1.8
95.04478	3.5
95.05055	0.7
95.06071	0.6
95.08610	1.7
96.04510	1.6
104.04971	0.7
105.07016	1.9
106.06593	0.7
106.07324	0.6
107.07345	5.3
110.06030	0.7
112.03960	0.5
121.02873	0.5
122.03657	7.1
122.06040	4.7
122.09678	12.2
122.10445	0.4
123.04523	0.9
123.05540	5.8
123.08070	2.6
123.09172	1.1
123.10033	0.6
123.11713	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	123.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.6
53.03949	2.5
55.01879	4.2
57.03768	0.3
65.03943	7.2
67.05508	17.4
68.05020	0.8
68.05862	0.4
69.03448	0.8
70.63231	0.5
78.03452	3.8
79.05474	0.5
80.05021	51.9
81.03419	0.6
81.05351	1.4
81.07055	0.4
82.01473	0.8
82.99821	1.5
95.04973	83.3
96.04494	13.5
96.05297	3.1
97.04807	0.5
100.02500	2.0
101.00884	15.4
105.04532	0.5
106.02920	3.2
108.90129	0.3
112.03953	0.4
118.03528	1.5
119.01926	43.3
123.04485	8.9
123.05553	100.0
124.03954	4.3
124.04824	0.5
124.05904	3.6
124.07618	0.6
129.20026	0.3
137.02965	11.0
142.03476	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0555
Annotation	Picolinamide
Peak:m/z	Relative Intensity
51.02370	0.2
53.03949	1.2
55.01877	0.9
56.34870	0.1
57.53147	0.2
65.03941	1.2
67.05505	3.3
68.05029	0.5
69.81601	0.6
78.03457	4.2
78.03914	0.2
80.05018	49.3
81.05361	1.4
82.01453	0.6
82.99844	1.1
95.04971	15.4
95.06009	0.4
96.04494	12.7
96.05247	0.5
97.04830	0.4
100.02488	2.0
101.00883	13.4
105.04519	0.5
106.02908	3.0
118.03553	1.3
119.01924	39.0
123.05553	100.0
124.03977	2.6
124.05094	0.3
124.05915	3.7
136.04631	0.2
137.02960	9.6
140.03403	0.2
142.03503	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.97830	1.3
53.03951	11.2
55.01867	2.7
55.05511	27.5
57.07075	3.1
65.03941	4.6
65.95061	1.3
66.04684	1.2
66.71311	1.3
67.05502	100.0
68.05824	4.2
69.03416	4.9
69.62056	6.1
77.03933	1.9
79.05488	20.4
80.05010	22.7
80.06268	3.3
81.03426	1.8
81.05795	2.1
81.07052	58.2
82.07369	2.5
91.05468	4.0
93.07036	18.3
94.07330	1.4
95.04951	15.7
95.08602	92.0
96.04491	5.2
96.08147	2.5
96.08930	4.4
98.23290	2.2
100.06232	1.6
101.00873	7.2
105.04491	2.4
105.07024	11.3
106.07401	1.9
107.04961	6.4
108.05737	30.9
108.07722	1.4
112.03950	2.9
115.03962	1.3
119.01924	23.8
121.06549	3.8
123.04516	9.1
123.05487	8.6
123.08067	61.5
123.09056	3.2
123.09996	2.9
123.11689	13.8
124.03947	11.0
124.07582	10.6
124.08410	2.4
137.02971	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	123.0807
Annotation	2,4-Dimethylphenol
Peak:m/z	Relative Intensity
53.03949	6.6
55.01878	1.7
55.05514	28.1
56.05840	1.3
57.03106	1.0
57.07056	1.4
65.03935	3.9
67.05507	100.0
68.05824	3.4
69.03423	2.7
69.07059	1.5
69.37244	1.0
69.68435	4.6
79.05493	14.2
80.05020	8.9
80.05826	1.2
80.06274	3.7
81.03434	1.4
81.07059	44.6
91.05485	4.2
93.07046	19.2
95.04962	10.9
95.08609	91.2
96.04480	2.6
96.08960	4.3
101.00888	1.4
103.05447	2.3
103.71464	1.0
105.04545	2.1
105.07035	10.9
107.04959	5.0
108.05745	26.4
108.09367	1.6
109.06074	1.4
112.03938	1.2
112.04774	0.9
117.32395	0.8
119.01946	4.5
121.06504	3.9
123.04476	1.5
123.05567	3.4
123.08074	58.4
123.11709	11.0
124.03958	3.5
124.07574	4.9
124.08424	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	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03945	6.3
54.77829	0.6
55.01875	2.1
55.05514	25.7
57.07082	0.7
64.73119	0.6
65.03954	4.9
67.05507	95.9
68.05839	3.0
69.03438	1.0
70.25170	2.0
79.05496	10.6
80.05017	22.2
80.06287	2.2
81.03421	10.0
81.07059	27.4
82.07413	1.2
85.41065	0.7
91.05485	6.2
93.07047	17.9
94.07344	1.2
95.04971	56.5
95.08608	61.7
96.04499	3.3
96.05290	2.5
96.08141	1.5
96.08942	2.8
101.00878	3.6
103.05459	1.0
103.07994	0.8
105.04536	0.8
105.07018	4.5
106.06577	1.2
107.04967	2.7
108.05746	6.3
112.03965	1.7
116.88028	0.8
119.01928	14.0
121.06480	1.0
123.05585	5.6
123.08071	100.0
123.11668	4.3
124.03955	6.3
124.07590	10.5
124.08426	6.0
137.02983	4.3
138.79881	0.7
140.03464	1.1
142.03474	1.5
143.69940	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02373	1.7
53.03942	12.4
55.01858	2.8
55.05510	8.4
57.07051	1.4
65.03928	3.0
65.15719	0.9
66.04727	0.9
67.05503	46.5
68.05807	1.2
69.03430	1.3
69.07066	1.3
70.67281	2.2
77.03943	5.2
79.05492	51.4
80.05009	18.9
80.05814	2.4
80.06254	2.7
81.03411	1.9
81.07053	62.4
82.07382	1.4
82.99839	1.1
91.05476	2.1
93.07051	6.3
95.04967	28.5
95.08604	53.0
96.04483	4.0
96.08103	1.7
96.08958	2.7
97.54726	1.1
100.02477	1.2
101.00880	5.5
101.56201	0.9
103.05450	3.1
105.03399	7.9
105.04500	4.5
105.07032	18.7
106.07339	2.1
107.04948	15.3
108.05733	74.2
109.06066	2.7
112.03971	3.3
119.01913	28.4
121.06505	10.1
123.04429	24.2
123.05552	9.8
123.08067	100.0
123.11680	7.6
124.03952	11.1
124.04755	1.3
124.07578	8.6
124.08409	6.6
125.05957	1.5
133.07631	1.0
135.05534	1.3
137.02936	6.7
140.03481	1.7
142.03528	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.4
51.27854	0.3
53.03951	3.6
53.69513	0.4
55.01886	0.5
55.05515	5.7
56.05853	0.4
57.07080	3.7
65.03944	2.6
66.04727	0.4
67.05511	20.8
68.05038	0.5
68.05843	0.6
69.03434	2.1
69.07063	2.3
69.24393	2.4
78.03454	0.6
79.05500	18.0
80.05022	13.9
80.05801	0.7
80.06263	0.4
81.03441	0.5
81.07063	100.0
82.07392	3.1
91.05508	0.6
93.07058	2.2
94.07848	1.1
95.04974	6.6
95.08614	14.5
96.04502	3.3
96.08142	2.0
96.08913	0.6
100.02502	0.4
101.00903	1.7
105.04539	0.7
105.07046	2.7
106.06620	0.6
106.07327	0.6
107.04939	1.2
108.05753	7.1
108.09365	0.8
112.03983	2.1
119.01933	10.4
120.00622	0.4
121.06534	1.3
121.10164	0.9
123.04465	1.7
123.05564	4.8
123.08081	14.4
123.09095	0.8
123.10016	0.9
123.11717	14.3
124.03973	5.8
124.07612	7.1
124.08446	1.2
124.12067	0.5
137.02945	3.8
140.03439	0.8
142.03447	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33745	0.4
53.00328	0.5
53.03945	5.4
53.80128	0.5
55.01869	1.1
55.05507	11.8
57.07071	5.4
65.03939	3.0
67.05502	43.3
68.05050	0.5
68.05839	1.6
69.03434	1.6
69.07074	2.8
71.09582	0.8
77.03924	1.1
79.05490	21.3
80.05013	23.2
80.05795	1.0
80.06248	1.2
81.03411	0.9
81.07052	100.0
82.06581	1.2
82.07382	4.2
86.06422	0.5
91.05473	2.3
93.07043	8.5
94.07307	0.5
94.07842	0.6
95.04973	8.4
95.08602	36.4
96.04499	2.8
96.05170	0.4
96.08126	1.6
96.08940	1.8
100.02512	0.5
101.00882	1.7
103.05453	1.0
105.03414	0.5
105.04511	1.3
105.07014	5.1
106.06564	1.0
106.07336	0.8
107.04972	2.6
107.07735	0.6
108.05748	12.8
108.06902	0.8
108.07691	1.1
108.09373	1.1
109.06088	0.6
112.03992	1.4
119.01917	5.0
121.06512	1.8
121.10130	1.3
123.04448	6.6
123.05475	3.8
123.08066	42.1
123.09914	0.9
123.11698	23.4
124.03981	4.0
124.04797	0.8
124.06685	1.0
124.07596	13.9
124.08420	2.2
124.12098	1.4
137.02965	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Santene
Peak:m/z	Relative Intensity
53.03954	3.3
55.05520	4.8
55.23336	0.5
55.97523	0.5
57.07078	4.5
61.89275	0.5
65.03933	1.3
66.04747	0.7
67.05508	13.2
68.05034	0.6
68.05823	0.8
69.00214	5.9
69.07070	2.9
79.05494	18.1
80.05022	10.5
80.05798	0.8
81.07060	100.0
82.07391	4.0
91.05480	0.7
93.07064	2.6
94.07804	0.8
95.04977	2.1
95.08611	14.9
96.04482	2.6
96.08157	1.1
96.08910	0.8
101.00898	3.3
105.07061	1.1
108.05741	1.1
108.09328	0.7
112.03940	1.5
119.01929	11.9
121.10141	1.3
123.04439	0.9
123.05550	4.7
123.08080	4.3
123.11711	20.1
124.03970	5.2
124.07601	5.6
124.12046	1.4
137.02948	3.7
140.03429	0.8
142.03558	0.8
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
53.03946	2.5
55.05516	5.3
57.07076	5.2
59.28997	0.4
65.03936	1.2
67.05507	16.1
68.05032	1.4
69.03431	2.0
69.07063	3.5
71.31069	0.4
78.03455	0.7
79.05495	17.9
80.05019	25.4
81.03432	0.6
81.07056	100.0
82.07379	4.6
82.99835	0.5
91.05477	0.7
93.05872	0.4
93.07028	2.5
94.06597	0.8
94.07818	1.1
95.04964	3.1
95.06089	0.9
95.08608	14.9
96.04499	5.4
96.08138	2.4
96.08900	0.5
100.02488	0.8
101.00879	5.2
105.04595	0.4
105.07031	1.1
106.06554	1.0
106.07300	0.6
108.05725	1.0
108.07674	0.7
108.09370	1.2
109.43423	0.4
112.03955	3.6
118.03528	0.6
119.01923	31.7
121.10126	1.1
123.04564	1.0
123.05551	11.1
123.06415	0.5
123.08093	4.0
123.09161	2.2
123.10021	0.8
123.11708	20.3
124.03966	12.0
124.07594	13.5
124.08394	0.5
124.12035	1.7
137.02957	16.8
139.05067	0.5
139.36700	0.4
140.03429	2.2
142.03503	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	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.0
55.05513	4.3
57.07077	4.6
65.03940	0.6
67.05508	11.8
68.05836	0.6
68.62759	0.4
69.07076	3.1
69.16583	0.4
71.29910	0.6
71.30292	0.6
79.05496	17.1
80.05025	4.9
80.05805	0.8
80.06268	0.4
81.03458	0.3
81.07059	100.0
82.07397	3.7
89.35198	0.4
93.07041	2.5
93.82240	0.4
94.07834	1.5
95.04977	1.4
95.08611	15.5
96.04473	1.0
96.08153	0.6
96.08913	0.7
101.00903	1.5
105.07014	0.4
112.03979	0.9
119.01931	7.1
120.00623	0.3
121.10130	1.5
123.04575	0.6
123.05569	2.6
123.08103	2.0
123.09206	0.4
123.11716	19.2
124.03957	2.6
124.07561	2.4
124.12032	1.2
130.52625	0.4
137.02925	1.9
140.03410	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.7
53.03947	5.6
55.01872	0.8
55.05515	13.2
56.05853	0.6
57.03439	0.4
57.07076	4.7
58.76407	0.4
65.03944	2.5
67.05508	45.0
68.05054	0.5
68.05845	1.5
69.03425	2.1
69.07077	2.3
71.29468	0.7
77.03943	3.4
79.05496	24.0
80.05022	16.4
80.05818	1.4
80.06264	0.9
81.03423	1.8
81.07061	100.0
82.06614	0.5
82.07390	3.5
91.05482	1.8
93.06454	0.8
93.07046	8.0
94.07883	0.5
95.04975	17.2
95.08611	44.2
96.04498	4.4
96.05289	1.0
96.08152	1.0
96.08930	2.3
100.02489	1.1
101.00879	4.1
103.05476	1.4
105.03407	2.9
105.04509	2.6
105.07037	8.4
106.06599	0.6
106.07416	0.9
107.04967	4.3
108.05747	21.7
108.07684	1.4
108.09429	1.0
109.06049	1.0
112.03978	2.8
117.37711	0.4
118.03510	0.9
119.01929	17.1
121.06509	3.4
121.10147	1.2
123.04439	20.7
123.05548	8.1
123.08074	49.3
123.10001	1.9
123.11703	17.4
124.03961	8.8
124.04765	0.9
124.05952	0.4
124.07600	9.7
124.08424	2.4
124.12023	1.3
125.06104	0.5
133.07603	0.4
134.78662	0.4
137.02959	7.6
140.03423	1.2
142.03545	0.6
143.04572	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
67.56139	0.1
69.94755	0.4
81.96119	0.1
82.99842	3.9
83.01535	0.2
83.99922	0.2
91.72900	0.1
100.02480	0.8
101.00882	37.2
102.00944	2.8
102.02252	0.4
111.00460	0.2
118.03526	0.3
119.01920	100.0
120.02007	7.7
120.03310	0.4
121.02335	0.4
124.02435	0.7
137.02954	23.4
138.03046	1.9
139.13550	0.2
142.03500	4.0
143.03658	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19399	0.1
53.03949	0.2
56.96567	0.5
57.03400	0.1
58.99864	1.0
60.00656	0.1
68.05019	0.2
69.03421	0.6
70.99861	1.9
71.05361	0.1
71.05743	0.1
71.99933	0.2
77.00907	0.7
77.10070	0.1
78.03452	0.3
79.05492	0.2
80.04574	0.2
80.05025	4.3
81.04547	0.2
81.05354	0.6
82.01428	0.3
82.99843	2.5
83.01485	0.2
84.01163	0.1
89.00899	0.9
94.06588	0.2
95.01928	0.2
96.04501	1.3
96.05074	0.2
96.05296	0.1
96.08125	0.5
97.02876	0.4
97.04810	0.2
100.02486	0.9
101.00883	29.5
101.02538	0.6
102.00954	2.5
102.02222	0.8
107.01997	0.1
107.03286	0.2
109.00480	0.1
109.03976	0.2
110.04820	0.7
112.03987	0.3
115.02445	0.2
118.03502	0.5
119.01924	100.0
120.02000	8.2
120.03339	0.2
121.02353	0.4
124.02607	0.6
124.03957	6.7
124.05911	1.7
124.07576	1.8
125.04272	0.3
125.07127	0.6
125.10737	0.4
133.01596	0.1
133.03506	0.3
136.04597	0.1
137.02959	30.3
138.03052	2.3
139.03378	0.2
140.03426	0.2
142.03503	4.2
143.03633	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0759
Annotation	1beta-methylcarbapenem
Peak:m/z	Relative Intensity
53.03947	4.7
55.05516	0.4
57.94780	0.2
67.05500	0.4
68.05046	0.5
68.05835	0.3
68.21886	0.2
69.03424	1.6
69.07056	0.6
71.29841	0.2
77.97083	0.2
78.03442	0.3
79.05479	1.3
80.05017	100.0
81.05346	3.3
81.05804	1.9
81.07068	0.5
82.06595	0.3
82.07381	0.5
83.04985	0.7
89.12312	0.2
93.05801	2.1
94.06573	1.4
96.04498	3.1
96.08155	1.7
97.02885	0.3
97.06538	0.7
101.00887	1.9
106.06557	1.9
107.08604	0.5
112.03945	1.5
119.01925	8.4
120.01993	0.8
124.03963	4.1
124.07591	45.7
125.06021	0.3
125.07169	0.3
125.07953	2.4
125.09608	0.7
137.02948	3.0
140.03456	0.5
142.03467	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.076
Annotation	1beta-methylcarbapenem
Peak:m/z	Relative Intensity
53.03950	5.4
53.04198	0.2
56.38826	0.2
57.29671	0.2
65.03938	0.2
69.71472	1.0
77.50948	0.3
78.03453	0.3
79.05482	0.7
80.05018	100.0
81.05346	3.8
81.05797	1.3
89.83908	0.2
93.05791	1.6
94.06577	1.3
96.04489	2.2
96.08133	0.9
99.14274	0.2
101.00876	2.3
106.06557	2.2
119.01921	6.2
120.02009	0.3
124.03996	1.1
124.07594	45.3
125.07946	2.4
125.10842	0.3
129.87904	0.3
137.02945	1.3
142.03555	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0759
Annotation	1beta-methylcarbapenem
Peak:m/z	Relative Intensity
51.02372	0.4
53.03947	4.6
54.93176	0.2
55.05512	1.1
65.03946	0.4
67.05503	1.0
68.05035	0.8
69.03452	0.6
69.07068	3.0
70.33183	0.5
70.33508	0.3
73.40697	0.2
78.03455	0.5
79.05489	2.2
80.05019	100.0
81.05345	4.0
81.05799	2.4
81.07048	1.2
82.06588	0.3
82.07388	0.7
83.04985	0.6
91.05439	0.4
93.05786	1.9
94.06591	3.0
95.07339	0.8
96.04503	3.6
96.05155	0.3
96.08134	12.9
97.02883	0.7
97.06500	0.3
97.08483	0.5
101.00876	3.3
106.06561	2.9
107.08594	0.3
112.03965	2.0
119.01926	14.4
120.02020	1.0
124.03965	4.4
124.07594	49.1
125.05976	0.6
125.07170	0.4
125.07947	2.2
125.09630	1.1
136.17160	0.2
137.02957	4.9
140.03442	0.5
142.03564	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0759
Annotation	1beta-methylcarbapenem
Peak:m/z	Relative Intensity
51.02384	0.4
53.03947	4.6
55.01859	0.3
55.05513	0.5
56.05044	0.3
56.63538	0.2
63.54369	0.2
67.04268	0.3
67.05501	0.7
68.05032	0.7
69.03436	2.3
69.07076	0.3
78.03446	0.4
79.05489	2.0
80.05016	100.0
81.04688	0.2
81.04824	0.3
81.05350	4.0
81.05798	2.0
81.07048	1.3
82.07381	0.8
83.04984	0.8
84.04507	0.2
85.28501	0.3
91.05456	0.2
93.05782	1.6
94.06582	1.6
95.04960	0.3
96.04493	3.6
96.08128	2.5
96.08736	0.3
96.08938	0.3
97.02885	0.3
98.23364	0.6
101.00883	2.0
102.00980	0.3
105.07100	0.3
105.55965	0.2
106.06546	2.4
107.08598	0.4
112.03969	1.4
112.86993	0.2
119.01919	9.5
120.00582	0.2
120.02026	0.7
124.03963	4.0
124.07590	49.5
125.04382	0.3
125.06013	0.6
125.07143	0.5
125.07944	2.4
125.09615	0.7
137.02953	3.8
140.03493	0.5
142.03474	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0392
Annotation	Benzene-1,2,4-triol
Peak:m/z	Relative Intensity
51.02375	1.5
53.00298	1.1
53.03948	29.7
55.01873	13.4
55.05509	3.0
55.61186	1.1
56.96569	2.4
57.03445	4.2
58.06603	2.3
67.01870	1.9
67.99893	1.5
68.02654	1.3
69.03431	100.0
70.03762	3.6
70.41036	2.3
70.41388	2.0
71.01358	3.2
71.04991	10.0
73.63832	1.0
81.03419	75.8
81.07033	1.9
82.03747	2.0
82.06581	5.6
83.01341	5.5
83.06110	2.4
84.08147	23.4
84.96048	1.8
85.02905	5.7
85.05167	2.4
86.00929	3.3
86.06087	2.4
95.01358	6.7
97.01453	2.5
97.02895	49.3
97.96851	1.3
98.03181	2.3
99.04475	10.3
101.00893	5.0
103.00638	3.2
104.00983	2.7
104.02007	5.4
109.02884	57.7
110.03230	1.7
110.06050	12.2
115.02428	11.0
119.01921	12.5
121.01673	12.3
122.01981	11.3
122.03037	1.1
123.02115	1.7
124.91467	1.1
127.02511	1.4
127.03919	34.8
127.04898	2.1
127.05865	1.6
127.07312	2.5
128.04291	2.1
128.07103	3.1
133.03470	8.3
137.02991	4.6
139.02699	3.3
140.03032	4.8
143.54921	1.1
145.03456	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	127.0392
Annotation	4-HYDROXY-6-METHYLPYRAN-2-ONE
Peak:m/z	Relative Intensity
53.00312	0.4
53.03720	0.4
53.03949	5.3
54.01961	0.3
55.01873	2.6
55.05492	0.3
57.03427	0.5
57.07108	0.3
58.06599	0.3
58.34688	0.2
67.01877	0.6
69.03428	8.0
69.96928	0.3
70.76439	0.7
70.83735	0.3
71.01347	0.5
71.04982	1.1
79.05473	0.5
81.03418	7.7
81.07058	1.6
82.06566	0.6
83.01330	0.5
84.08133	0.9
85.02902	0.6
85.06538	0.6
95.01295	0.4
97.02896	1.4
99.04449	1.2
109.02879	12.2
109.06532	0.3
110.03271	0.4
110.06012	0.4
127.03911	100.0
127.21008	0.3
128.04248	4.4
128.07100	0.7
141.87923	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0392
Annotation	Benzene-1,2,4-triol
Peak:m/z	Relative Intensity
53.00307	4.8
53.03949	42.4
54.04274	1.9
55.01876	13.9
55.05496	1.0
57.03428	4.1
57.62600	1.1
64.46638	1.1
65.03941	1.8
68.25796	1.0
69.03431	86.0
69.71036	6.5
70.03761	2.6
71.04993	7.1
81.03421	97.2
81.04539	4.8
82.03745	3.3
82.06579	5.0
83.01353	2.6
83.52187	1.0
84.08168	1.8
85.02895	3.7
86.06081	1.5
86.66370	1.4
95.01347	1.8
97.02895	9.8
98.03685	3.3
99.04464	12.6
100.07621	1.7
109.02882	100.0
110.03242	5.0
110.06049	1.2
121.01612	1.5
127.03915	26.6
127.07321	1.4
128.07098	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	127.0392
Annotation	Benzene-1,2,4-triol
Peak:m/z	Relative Intensity
53.00290	1.2
53.03718	1.3
53.03952	19.6
54.04286	1.1
55.01879	19.2
55.05507	1.4
56.05043	1.0
56.96547	0.8
57.03431	3.6
58.06586	0.9
67.01855	1.8
67.69057	0.8
69.03433	100.0
70.03759	2.3
70.32906	2.0
71.01350	2.7
71.04988	7.3
72.08154	0.9
75.87389	0.7
79.05487	1.6
81.03421	68.8
81.07050	2.5
82.03757	2.5
82.06569	5.9
83.01358	5.2
84.02120	0.9
84.04459	0.8
84.08148	1.8
85.02901	5.5
86.00929	1.1
86.06077	0.9
95.01331	0.9
97.02892	14.4
97.21130	0.9
99.04444	5.0
100.07617	2.5
104.01990	1.0
109.02884	44.5
109.06491	2.4
110.02419	1.2
110.03215	1.9
110.06066	4.4
119.01926	2.7
121.01682	1.4
122.01982	1.1
127.03933	21.7
127.04952	1.9
128.04216	1.1
128.07051	3.1
133.78484	0.8
139.02664	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0391
Annotation	Benzene-1,2,4-triol
Peak:m/z	Relative Intensity
53.03946	57.4
55.01876	28.5
55.05509	1.8
57.03431	11.6
67.01885	2.4
67.05504	2.4
68.24136	1.3
68.94064	1.3
69.03429	70.7
70.03764	1.8
70.40648	1.7
70.41012	4.4
71.01349	3.3
71.04995	23.7
81.03415	100.0
81.07055	1.7
82.03749	2.3
82.06600	3.4
83.01353	11.0
85.02901	7.6
86.24221	1.3
90.11049	1.3
97.02893	38.6
98.98445	1.4
99.04454	15.9
109.02877	36.0
109.03583	2.8
109.10169	1.9
110.03214	1.9
113.10754	1.5
127.03912	41.2
128.06276	2.9
133.18243	1.3
138.25629	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0755
Annotation	1-Cyclohexenecarboxylic acid
Peak:m/z	Relative Intensity
53.03944	5.6
55.01865	3.2
55.05498	1.9
57.03432	2.1
57.07069	2.4
60.05194	0.5
62.79715	0.6
64.85294	0.5
65.03931	2.6
67.05504	25.6
68.05833	0.8
69.03428	15.8
69.07071	0.7
69.54210	1.0
69.54617	2.0
71.01344	0.7
71.04984	3.5
76.88916	0.6
79.05492	19.0
80.05831	0.6
81.03419	12.4
81.07053	48.5
82.06583	2.4
82.07384	2.1
83.01348	1.2
83.69378	0.6
84.08144	1.0
85.02898	1.4
85.06541	100.0
86.06898	3.4
93.25729	0.5
94.10597	0.5
95.04988	1.3
97.02898	4.7
99.08115	0.6
102.93356	0.6
109.02878	8.8
109.04748	0.8
109.06499	4.6
109.10158	0.7
109.80143	0.5
110.06039	0.8
127.03929	9.5
127.07535	1.6
128.06238	1.4
128.07089	1.3
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	Sulcatone
Peak:m/z	Relative Intensity
53.03951	25.7
53.45310	2.3
55.01861	10.1
55.05508	12.5
57.03440	41.6
59.04985	3.5
65.03934	4.7
67.05508	100.0
68.05848	4.5
69.03433	41.5
69.07074	15.8
71.05006	15.7
75.50651	2.4
79.05511	12.4
81.03419	52.0
81.07066	37.4
82.03746	3.2
82.06586	11.8
82.07347	2.7
83.01334	3.8
83.04964	3.4
83.08616	6.8
84.08155	5.9
85.02921	4.0
85.06534	12.0
86.06035	2.6
86.09711	3.3
97.02881	17.5
99.04450	8.8
100.07613	5.7
109.02876	28.1
109.06523	9.8
109.10168	32.6
110.03208	2.3
110.06030	5.1
127.02969	2.2
127.03922	44.0
127.05896	3.1
127.07517	10.2
127.11215	6.2
128.06238	38.7
128.07083	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	127.1119
Annotation	Sulcatone
Peak:m/z	Relative Intensity
53.03925	6.9
55.05503	29.6
57.03432	8.0
58.77478	6.6
67.05502	58.4
69.07070	100.0
71.04985	24.0
81.03406	8.1
81.07059	20.7
83.08606	21.9
84.08131	8.7
85.46167	7.3
86.06081	8.3
109.04806	10.1
109.10156	89.3
112.54970	8.1
127.03952	36.7
127.07298	8.9
127.11142	13.4
128.06226	21.6
128.07083	9.9
128.10704	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	127.1119
Annotation	Sulcatone
Peak:m/z	Relative Intensity
51.04886	1.2
53.03947	6.3
55.01868	2.9
55.05510	9.1
57.03449	11.5
59.04983	1.5
65.03946	3.8
67.05505	100.0
68.05839	4.5
69.03435	9.8
69.07069	13.3
69.36958	7.0
71.04985	6.3
79.05498	5.0
81.03407	12.8
81.07059	18.5
82.06586	3.6
83.01341	1.6
83.08620	3.9
84.08105	2.3
85.06557	5.6
97.02898	4.7
98.22617	1.4
99.04460	2.7
107.08613	1.4
109.02889	8.7
109.10156	27.6
110.06054	1.8
110.10495	2.0
117.77881	1.4
127.03922	11.4
127.07542	1.7
127.11252	1.8
128.06235	8.7
128.07063	1.9
147.19380	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.6
55.01866	3.8
55.05514	8.8
57.03441	100.0
58.03769	3.3
61.10068	0.9
65.03940	2.8
67.05508	49.4
68.05833	1.6
69.03434	10.5
69.07079	4.7
69.30836	1.0
71.04996	5.4
71.28474	1.1
79.05511	5.5
81.03425	9.6
81.07063	24.9
82.06582	3.7
82.07406	2.0
83.01353	1.6
83.08621	4.1
83.64181	1.1
84.08143	2.7
85.02904	1.4
85.06561	2.1
93.37193	0.9
97.02887	3.4
99.04467	1.7
99.08103	3.2
100.07645	1.4
100.08438	1.0
109.02879	8.0
109.06525	13.3
109.10155	13.7
110.06090	2.3
127.03932	8.7
127.07567	25.0
127.11182	4.6
128.06253	11.3
128.07082	2.4
128.07901	2.1
131.36739	0.9
144.02837	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	2.5
57.03440	100.0
58.03778	3.5
59.13579	1.8
70.06584	2.1
70.81234	2.1
71.03062	1.9
72.09428	1.9
72.58972	2.1
73.12214	1.8
81.04522	2.5
82.06563	5.5
83.08642	4.1
86.06065	2.6
100.07571	2.6
123.18647	2.2
127.03945	7.4
127.05857	2.3
127.07321	3.2
127.08746	2.0
127.11198	6.2
128.06204	6.7
128.14334	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	127.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	25.7
53.45310	2.3
55.01861	10.1
55.05508	12.5
57.03440	41.6
59.04985	3.5
65.03934	4.7
67.05508	100.0
68.05848	4.5
69.03433	41.5
69.07074	15.8
71.05006	15.7
75.50651	2.4
79.05511	12.4
81.03419	52.0
81.07066	37.4
82.03746	3.2
82.06586	11.8
82.07347	2.7
83.01334	3.8
83.04964	3.4
83.08616	6.8
84.08155	5.9
85.02921	4.0
85.06534	12.0
86.06035	2.6
86.09711	3.3
97.02881	17.5
99.04450	8.8
100.07613	5.7
109.02876	28.1
109.06523	9.8
109.10168	32.6
110.03208	2.3
110.06030	5.1
127.02969	2.2
127.03922	44.0
127.05896	3.1
127.07517	10.2
127.11215	6.2
128.06238	38.7
128.07083	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	128.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.4
55.93534	0.4
56.96564	1.2
58.99857	0.4
65.87003	0.2
67.99522	0.4
67.99891	5.7
68.87387	0.2
68.99969	0.4
69.67255	0.8
77.00909	0.4
82.06568	1.4
82.99836	1.2
83.05006	0.4
85.92492	0.2
86.00932	18.4
86.99345	0.3
87.00027	0.2
87.01015	1.0
100.02498	1.3
100.07623	0.3
101.00876	19.5
102.00988	1.1
103.02457	0.4
104.01968	37.8
105.00384	0.5
105.01033	1.4
105.02048	3.1
106.02325	0.3
110.06084	0.3
111.04447	0.4
118.03510	3.3
119.01920	100.0
120.02000	7.7
121.01621	0.3
121.02383	0.4
122.02090	1.5
122.03007	25.9
123.02111	10.6
123.03085	1.5
124.02471	0.3
127.03564	1.0
128.01952	1.1
128.04266	0.5
128.07074	0.8
136.04549	2.4
136.12511	0.3
137.02954	46.2
138.03046	3.8
140.03111	0.8
141.03111	4.6
142.03487	1.9
145.04593	0.7
146.02959	7.4
146.04008	0.4
147.03127	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0912
Annotation	Cyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
53.03951	2.7
55.01878	1.0
55.05514	100.0
55.77754	0.8
55.93532	2.5
56.05037	3.0
56.05846	2.9
57.03434	2.4
57.07079	39.5
58.06591	0.9
59.05017	4.5
67.05520	0.9
69.03427	6.8
69.07072	9.6
70.00795	2.5
70.06610	1.4
71.05006	2.3
71.63374	0.7
72.08174	1.2
73.06556	9.7
74.09721	23.4
81.07084	0.7
83.05003	2.6
83.06117	2.0
83.08623	66.6
84.04510	42.4
84.08144	10.7
84.08981	2.1
85.02909	12.0
86.09742	1.8
87.04471	1.1
95.01334	1.4
98.22626	0.6
101.06047	0.9
101.43786	0.7
102.05547	4.1
103.05468	3.7
105.82870	0.6
111.08112	2.4
112.07611	13.2
112.11288	2.9
115.05476	0.9
128.06232	17.8
128.95123	1.2
129.05717	0.9
129.07062	13.5
129.09163	2.3
129.13896	1.1
130.05066	9.4
130.06528	45.5
130.08653	1.8
130.15923	44.7
145.06482	1.4
146.38731	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0501
Annotation	5-Oxo-D-proline
Peak:m/z	Relative Intensity
50.29914	1.2
52.38823	1.1
53.03931	1.5
56.05035	10.2
57.03438	15.1
57.07072	7.1
59.33214	1.2
60.05640	1.6
67.05497	4.4
69.03433	17.6
69.07075	1.9
70.06588	2.0
70.90576	2.0
71.04987	2.9
71.92987	1.8
74.06065	1.2
74.09704	3.7
84.04506	100.0
84.08145	14.3
85.02905	95.3
85.04832	2.7
85.06546	11.0
86.03227	2.9
87.04472	3.2
91.05477	10.0
94.02985	1.1
95.01328	13.9
95.04974	11.8
96.01667	1.4
102.05541	21.1
103.05450	14.4
112.03957	3.8
112.07605	22.1
113.06004	17.6
116.06243	1.9
125.96114	1.3
129.06982	1.6
130.04993	57.9
130.06522	65.2
130.08612	4.1
130.15926	6.0
131.05006	5.2
131.06857	3.7
131.08606	5.1
144.61359	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.05
Annotation	5-Oxo-D-proline
Peak:m/z	Relative Intensity
51.72136	0.2
53.00314	0.4
56.05038	7.0
56.96561	1.6
57.03157	0.4
57.03439	8.3
57.05372	0.3
57.07067	0.4
58.06589	0.7
59.07379	0.2
60.05647	0.4
67.05508	0.6
68.05029	0.3
68.69491	0.2
69.03431	19.4
69.07068	2.3
70.03770	0.6
70.06593	3.5
71.05005	1.1
71.27951	0.2
73.02894	0.3
81.03416	0.3
82.06578	1.0
83.00760	0.2
84.04505	100.0
84.08142	15.2
85.02905	33.2
85.04822	2.5
85.08472	0.6
92.79945	0.2
94.06565	0.5
95.01326	0.8
95.01878	0.2
97.02913	0.2
98.97601	1.1
102.05534	2.0
103.05465	0.3
104.66849	0.2
112.07606	40.2
113.02370	0.8
113.07938	1.7
116.98649	0.5
119.01816	0.3
128.02333	0.3
128.98572	0.3
130.05009	9.0
130.06509	2.8
130.08647	7.7
131.01875	0.2
131.03423	0.4
131.09009	0.3
134.48462	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0652
Annotation	Quinoline
Peak:m/z	Relative Intensity
50.88763	0.2
51.02388	0.5
53.03951	1.5
56.05029	0.8
57.03432	0.4
57.07061	0.5
59.81084	0.2
61.35329	0.2
67.48542	0.2
69.03432	1.1
70.06590	0.2
74.06073	1.0
74.09714	0.4
74.43760	0.2
77.03906	0.3
84.04502	7.6
84.08167	1.5
85.02903	4.3
91.05484	6.0
95.01321	0.5
95.04974	2.1
102.04671	0.4
102.05533	1.1
103.05467	14.1
104.05784	0.5
105.04524	0.8
112.03967	0.3
112.07610	2.1
115.05473	1.2
116.06251	1.8
116.17352	0.3
116.75320	0.2
120.41935	0.2
128.04979	1.9
128.05959	0.3
129.07079	1.2
130.04955	2.8
130.06528	100.0
130.12248	0.6
130.15892	0.7
131.04958	0.9
131.05995	0.4
131.06889	5.9
131.08545	5.3
146.06027	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1591
Annotation	Octylamine
Peak:m/z	Relative Intensity
53.00291	1.7
57.07075	96.7
58.07404	2.5
69.03428	1.9
69.70184	3.3
69.70568	2.3
72.08153	1.8
74.09718	55.0
75.10056	2.3
84.04522	9.1
84.08121	1.3
85.02901	4.1
91.05472	2.6
103.05472	4.8
112.07589	2.9
130.05029	1.7
130.06531	13.5
130.15916	100.0
131.16243	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	131.0703
Annotation	2-Hydroxyethyl methacrylate
Peak:m/z	Relative Intensity
51.02390	0.2
53.03952	2.8
53.41790	0.3
55.01865	0.6
55.05513	7.2
56.96563	5.3
57.03434	2.5
59.04999	0.5
60.04523	0.3
60.05648	2.7
61.02930	0.6
67.05513	0.7
69.03427	100.0
69.07056	0.8
69.95966	1.2
70.03761	3.9
71.04985	1.7
71.93010	0.2
72.08150	3.3
72.93763	0.4
73.02908	0.6
73.06554	2.7
77.00791	0.3
78.46741	0.3
81.03414	4.9
84.04494	0.8
84.08133	0.4
85.01109	0.3
85.02901	6.5
85.04321	0.5
85.04838	2.4
85.06541	3.2
85.08483	0.7
86.03246	0.3
86.09702	4.4
89.00768	0.3
90.09209	0.6
91.05465	0.7
95.04968	0.9
96.01563	0.4
97.02878	0.3
98.01255	0.4
98.97590	2.6
99.04447	6.2
101.00743	0.3
103.05461	3.5
107.01926	0.3
110.01279	0.4
110.97559	0.4
113.02396	0.3
113.05996	1.3
113.07936	3.4
114.10297	0.3
116.98597	1.4
117.05782	0.4
119.01807	1.0
128.98546	0.4
130.06526	0.6
131.03401	0.6
131.04919	9.7
131.05945	0.6
131.06873	1.0
131.08896	0.4
132.05275	0.8
132.08055	1.0
132.10379	0.4
132.11292	1.9
134.99655	0.5
141.09592	0.3
146.99692	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0704
Annotation	5-Oxohexanoic acid
Peak:m/z	Relative Intensity
51.02368	1.3
53.03945	5.5
55.01857	0.9
56.96545	1.1
57.03434	28.8
57.07064	1.1
65.03938	1.1
67.05503	13.7
68.82443	0.6
69.03413	2.1
71.04990	2.6
71.27948	0.8
71.88804	0.7
71.92993	1.7
72.08151	1.1
72.93787	3.8
77.03932	2.1
81.03406	1.0
85.02911	1.2
85.04825	1.7
85.06538	35.8
86.06876	1.7
86.09698	1.2
89.94051	0.9
90.90377	3.4
90.94820	2.4
91.05476	17.1
92.05831	0.7
95.04964	35.0
96.04493	2.4
96.05252	1.2
103.05461	17.0
104.04990	74.6
105.03397	1.9
105.04494	3.9
107.95100	1.1
113.06003	70.3
114.06330	2.6
115.05453	2.0
116.06236	4.2
117.05769	1.3
125.96095	0.9
129.06984	3.1
131.04927	8.6
131.06009	1.5
131.06909	4.4
131.08560	12.2
132.04446	100.0
132.08105	1.8
148.97687	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0705
Annotation	5-Oxohexanoic acid
Peak:m/z	Relative Intensity
53.03947	1.8
55.05507	2.4
56.96563	3.4
57.03438	8.5
57.07078	36.8
59.05009	2.4
65.03939	8.9
66.15925	1.3
67.05507	100.0
68.05846	3.1
69.02048	12.0
69.03439	5.2
69.07071	7.1
70.03759	3.3
71.04999	24.4
72.08176	2.5
72.93801	10.0
75.00021	2.5
76.66591	1.1
85.02906	7.9
85.04851	3.5
85.06546	15.8
85.08449	2.1
86.09723	2.3
89.94060	2.9
90.90389	8.2
90.94830	3.2
91.05457	6.4
95.04973	50.2
95.08591	1.9
96.05289	3.1
98.97593	1.6
103.05474	14.8
113.06014	27.3
113.07934	7.2
114.08263	1.4
116.06219	1.5
125.96116	1.8
130.95641	2.3
130.98880	1.3
131.04950	10.8
131.06055	2.4
131.06941	8.9
131.08554	2.4
132.04471	2.3
132.08102	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	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
63.19208	1.0
65.03941	1.7
69.28419	2.4
69.28838	2.8
75.18485	0.8
91.05479	100.0
92.05820	5.1
95.04968	1.4
103.05463	14.4
104.05772	1.4
105.07022	1.1
115.05445	13.2
116.06234	34.2
117.06561	2.1
128.06227	2.9
129.07002	15.3
131.04916	3.2
131.08563	58.9
132.08904	3.3
133.06516	1.5
145.50037	0.8
146.40125	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.6
65.03938	1.7
68.85178	0.6
70.43809	2.1
80.25589	0.7
88.15943	0.7
91.05483	100.0
92.05815	4.6
103.05492	4.4
105.07054	1.3
115.05458	12.4
116.06247	38.3
117.06596	2.2
128.06223	3.1
129.06999	13.7
131.08571	52.1
132.08058	0.9
132.08908	4.1
133.06491	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0446
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
50.01593	0.6
51.02373	1.3
51.58709	0.3
53.03947	7.1
55.01868	0.5
55.05506	0.2
57.03416	0.4
65.28789	0.3
68.19796	0.3
69.07074	2.1
69.28280	1.3
71.84972	0.3
71.93078	0.3
72.93787	1.6
73.06565	1.1
77.03918	3.0
78.03445	0.5
79.05488	0.6
81.03421	0.8
86.09715	0.4
90.90385	2.0
90.94844	0.5
91.05491	1.2
95.04968	9.0
96.04494	2.1
96.05286	0.4
97.06551	0.3
98.22599	0.6
103.05426	0.3
104.04990	86.9
105.03413	2.2
105.04516	4.6
105.05322	3.8
105.07041	4.0
114.06336	0.6
120.04482	0.3
132.04448	100.0
133.02917	0.4
133.04814	5.6
133.06465	1.1
133.07559	0.5
133.10115	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	0.2
51.02379	1.3
53.03949	6.9
55.01874	0.8
55.05505	0.4
57.03430	0.6
58.03803	0.2
61.83340	0.3
69.07079	2.4
69.16074	1.8
72.93790	1.8
73.06558	2.1
77.03931	2.4
78.03448	0.4
79.05492	1.4
81.03419	0.9
86.06879	0.4
86.09730	0.3
90.90377	2.0
90.94845	1.1
91.05479	1.9
92.05833	0.4
95.04975	8.4
96.04480	2.2
96.05309	0.6
97.06543	0.4
103.05486	0.9
104.04998	82.8
105.03417	1.8
105.04530	4.1
105.05334	3.3
105.07033	7.1
108.95828	0.2
109.10719	0.2
114.06332	1.2
115.05478	0.6
115.07587	0.6
117.05740	0.8
117.07058	0.3
130.03949	0.2
130.06532	0.5
130.07413	0.3
131.08603	0.6
132.04459	100.0
132.08105	1.0
132.90440	0.2
133.03033	0.2
133.04810	6.2
133.06491	2.0
133.07613	0.9
133.10132	2.4
135.67513	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1021
Annotation	Isoleucine
Peak:m/z	Relative Intensity
55.05510	2.5
56.96546	0.8
60.05639	1.9
69.03424	1.4
69.07076	7.0
69.40507	2.2
69.40936	2.1
73.02911	1.2
73.06561	2.9
73.75056	0.6
77.30610	0.8
79.05512	0.8
85.02908	1.2
86.03242	1.1
86.09707	100.0
87.10021	4.4
90.09200	1.5
97.02867	0.9
98.23373	0.7
100.37973	0.6
101.19923	0.6
105.07043	2.6
112.00914	0.6
117.05777	0.9
117.45710	0.8
132.08138	0.6
132.10197	0.7
132.11343	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	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03954	1.2
55.05508	2.7
55.06435	0.5
64.51350	0.5
65.07240	0.5
67.05511	1.1
79.05495	7.6
91.05481	25.7
92.05797	1.3
93.07037	4.5
93.31628	0.5
95.04973	1.5
98.23470	1.1
103.05452	3.3
104.06268	0.8
105.07031	100.0
106.06646	1.1
106.07372	4.5
115.05432	2.7
117.07007	3.4
118.06527	0.5
118.07817	2.6
131.08553	4.3
133.06493	1.6
133.07588	2.4
133.10124	30.2
134.06044	2.3
134.07065	0.6
134.09613	1.3
134.10495	1.7
134.58556	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	Tetralin
Peak:m/z	Relative Intensity
55.05507	2.1
65.03942	2.8
69.15807	3.8
69.16209	1.3
78.04713	1.3
79.05501	3.7
91.05484	100.0
92.05819	5.7
93.07037	1.0
95.04977	1.0
98.22555	1.0
103.05474	3.6
104.06250	16.3
105.07041	27.6
106.06555	1.5
106.07352	1.5
107.18661	0.7
115.05472	1.3
117.07030	2.0
118.07767	0.8
124.61610	0.6
131.08546	1.5
133.07597	2.6
133.10138	17.9
134.10513	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.5
55.05507	4.4
56.77416	0.5
65.03940	0.8
67.05504	1.5
70.34022	0.5
70.34354	1.3
77.03900	0.9
79.05495	12.1
81.03450	0.5
89.98401	0.5
91.05479	34.4
92.05810	1.5
93.07037	7.4
95.04969	2.6
99.50612	0.5
103.05463	5.7
105.04526	1.4
105.07027	83.5
106.07375	4.9
107.08594	2.0
115.05445	9.9
116.06267	1.3
117.07011	12.2
117.72906	0.5
118.07800	11.9
119.08162	0.7
125.65453	0.5
129.07008	1.3
131.08565	11.7
132.08936	0.7
133.10124	100.0
134.10463	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	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.05499	3.9
56.58653	0.7
63.03154	0.7
65.03933	1.0
66.00661	0.7
67.05500	1.8
69.06200	6.7
79.05487	12.9
88.88593	0.7
91.05479	37.4
92.05779	1.6
93.07041	8.4
95.04955	2.7
103.05459	6.8
105.07030	100.0
106.07349	3.9
107.08584	1.9
115.05453	8.8
116.06245	2.0
117.07008	11.6
118.07797	9.6
123.32579	0.8
129.06970	1.8
131.08560	12.9
131.09497	1.0
133.06525	1.7
133.10127	93.2
134.09607	1.1
134.10490	7.1
141.36624	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.2
55.05511	5.4
62.05462	0.5
65.03956	1.0
67.05500	1.3
69.37979	1.6
69.38391	1.8
77.03930	1.2
79.05495	10.6
79.05926	1.2
91.05484	31.7
92.05794	1.2
93.07033	7.9
95.04958	2.0
97.22608	0.7
98.22683	0.9
99.05547	0.7
103.05470	6.4
105.03388	1.1
105.07031	90.3
106.07359	4.4
107.08607	1.7
115.05466	9.3
116.06292	1.6
117.07021	12.3
118.07813	13.3
129.06979	1.0
131.08562	13.8
131.39616	0.5
133.10127	100.0
134.10463	7.2
148.81345	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03949	1.4
55.05512	3.1
65.03940	1.0
67.05493	1.0
75.01871	0.3
77.03934	0.4
77.36660	0.3
79.05492	8.9
91.05481	25.9
92.05777	0.5
92.06278	0.6
93.06483	0.5
93.07048	7.0
95.04979	1.9
99.12486	0.3
103.05461	4.9
104.06258	0.4
105.07028	63.6
106.07357	2.7
107.08595	2.1
115.05451	9.3
116.06331	1.7
117.07018	10.0
118.07022	0.6
118.07819	10.5
119.08147	0.6
129.07007	1.0
129.12907	0.3
130.36786	0.4
131.08562	8.6
132.08954	0.8
133.10126	100.0
134.10454	6.5
149.91728	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90731	0.6
53.03938	2.1
55.05505	2.8
55.87077	0.7
66.10896	0.7
69.80791	2.9
69.81151	1.0
71.41557	0.8
71.50359	0.6
73.34090	0.6
77.03899	0.8
79.05493	9.7
91.05479	25.3
92.05795	0.7
93.07033	6.9
95.04959	2.1
98.23325	1.2
103.05463	5.6
105.07027	65.0
106.07336	3.7
107.08595	1.8
107.48944	0.6
115.05465	9.2
116.06248	1.6
117.07015	12.0
118.07812	11.9
119.08112	0.8
121.96053	0.7
129.07005	1.1
131.08565	8.7
133.10126	100.0
134.10458	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
50.01591	0.5
51.02368	0.6
51.58884	0.3
53.03950	2.4
55.05515	3.3
55.96002	0.3
57.03429	0.5
60.07123	0.3
61.43722	0.3
65.03941	1.3
65.14814	0.3
67.05493	1.2
71.29021	0.4
77.03926	1.3
79.05491	11.2
80.05824	0.3
91.05478	28.6
92.05804	1.2
92.06309	0.6
93.07043	6.5
94.07372	0.5
95.04980	2.4
103.05469	6.6
104.06268	0.5
105.03403	2.7
105.04542	1.2
105.07028	75.6
106.06571	1.0
106.07361	4.4
107.08601	1.8
115.05451	10.4
116.06316	2.0
117.07013	11.9
118.07819	11.0
119.08139	0.5
129.07008	1.0
131.08566	9.3
132.08936	0.5
133.02838	1.0
133.10124	100.0
134.06004	1.1
134.09529	0.6
134.10466	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	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02374	0.4
53.03954	0.9
55.05517	4.0
65.03935	0.7
67.05508	2.2
70.73225	0.2
71.38287	0.4
77.03931	0.2
79.05022	0.3
79.05492	5.9
83.73052	0.2
91.05483	32.7
92.05798	1.5
92.06272	0.2
93.07063	1.7
95.04971	1.0
103.05458	3.3
105.07031	100.0
106.07362	5.8
107.08540	0.3
115.05467	1.5
116.06266	0.5
117.07019	1.6
118.07844	1.5
131.08571	4.7
132.08937	0.3
133.06534	0.4
133.07614	0.6
133.10132	23.8
134.05995	0.4
134.06982	0.2
134.09618	0.3
134.10472	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03940	2.5
54.41419	0.8
55.05516	4.8
65.03931	1.0
67.05489	1.8
69.68819	3.7
79.05494	10.2
84.26530	1.0
91.05487	37.3
92.05814	1.8
93.07049	7.7
95.04959	2.9
103.05467	5.2
105.07040	97.1
105.43250	1.0
106.07368	5.9
107.08620	1.8
108.81937	0.8
114.03888	0.8
115.05459	9.7
116.06242	1.3
117.07033	10.7
118.07838	9.3
131.08591	10.3
133.10138	100.0
134.10483	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02383	0.5
53.03953	2.2
55.05510	3.1
65.03935	0.9
67.05493	0.6
71.33517	0.6
77.03873	0.6
79.05493	8.5
91.05482	25.6
92.05795	0.9
92.06297	0.4
93.07042	5.8
95.04959	1.3
103.05473	4.7
104.06279	0.5
105.07030	59.5
106.07353	2.8
107.08593	1.7
115.05460	8.3
116.06314	1.7
117.07024	9.8
118.07813	10.1
119.08145	0.9
129.07007	0.7
130.99574	0.4
131.08574	7.9
132.08897	0.4
133.10129	100.0
134.10461	6.8
152.94420	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03946	2.1
55.05503	3.1
65.03928	0.8
67.05487	1.0
70.63998	1.3
77.03927	1.0
79.05496	13.4
82.01418	0.6
82.22694	0.7
91.05482	35.0
92.06289	0.6
93.07049	7.2
95.04960	2.5
103.05480	6.6
103.72544	0.6
105.04505	1.9
105.07031	87.9
106.07378	5.4
107.08585	2.0
111.84308	0.6
115.05448	10.0
116.06292	1.4
117.07022	14.3
118.07822	14.0
119.08128	0.6
129.07024	1.1
131.08572	12.4
133.10130	100.0
134.10463	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	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03944	2.4
55.05513	4.3
67.05499	1.3
68.89326	0.5
69.21789	4.1
77.03935	1.3
79.05505	10.9
80.05827	0.7
91.05484	34.6
92.05794	1.6
92.06312	0.8
93.07036	6.4
95.05038	1.5
103.05474	5.1
105.03385	2.3
105.07034	100.0
106.07344	5.9
107.08591	1.5
108.20878	0.8
115.05460	8.7
116.06238	1.6
117.07016	10.0
118.07822	8.6
119.08162	0.7
129.07025	1.2
131.08566	12.1
132.08923	1.2
133.02908	1.1
133.10132	64.2
134.10474	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	135.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	0.3
51.02383	0.9
53.03947	7.1
55.01870	1.2
55.05503	0.8
65.03935	1.1
67.02985	0.5
67.05502	1.2
69.03416	1.0
69.63181	1.0
69.63601	0.5
77.03908	1.5
79.05490	49.5
79.63300	0.3
80.05026	1.3
80.05828	1.6
81.03442	1.3
81.07062	0.6
89.03913	2.7
91.05479	10.7
92.05821	0.3
93.05780	1.2
93.07040	5.0
94.04056	1.1
94.06538	0.3
95.04961	8.6
105.03419	0.7
105.04504	4.5
105.07034	2.6
106.06612	0.4
107.04949	14.2
107.08592	6.2
107.09297	0.5
108.04477	0.3
108.05271	0.6
108.08138	1.9
109.01096	3.9
109.06531	0.7
115.05447	1.0
117.03372	0.8
117.07014	1.0
118.06532	1.2
119.03532	3.7
119.06063	0.3
119.08592	0.7
120.09371	0.4
133.02846	5.8
135.04411	100.0
135.08031	3.5
135.11696	1.2
136.02158	33.2
136.04825	4.3
136.06180	31.6
136.07553	5.5
136.11211	0.7
137.04561	2.6
140.29497	0.3
153.05498	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0441
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
51.02386	1.0
53.03947	6.3
55.01873	1.0
55.05502	0.7
59.85380	0.2
65.03958	1.4
66.63187	0.2
67.05500	1.2
68.28404	0.2
69.03443	0.4
69.07099	0.3
71.29267	0.4
77.03928	1.3
79.05495	48.1
80.05022	0.8
80.05824	1.8
81.03409	0.9
81.07070	0.5
89.03909	2.2
91.05482	11.5
92.05811	0.3
93.05797	0.9
93.07034	3.3
94.04063	0.6
94.06577	0.6
95.04966	8.3
103.05485	0.4
105.03420	0.6
105.04509	3.4
105.07021	2.2
107.04956	13.3
107.08595	4.5
108.04537	0.5
108.05243	0.5
108.08158	1.8
109.01100	3.4
109.06503	0.5
115.05450	1.4
117.03398	0.7
117.06999	1.0
118.06532	0.7
119.03553	1.9
119.06060	0.6
119.08604	1.4
120.09361	0.3
133.02855	5.2
135.04417	100.0
135.08040	8.0
135.11678	1.2
136.02165	32.1
136.04770	5.3
136.06180	16.9
136.07552	4.1
136.08455	0.5
136.11201	0.6
137.04553	1.4
146.36250	0.3
150.88055	0.3
153.05457	0.3
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	Indan-1-ol
Peak:m/z	Relative Intensity
53.03954	4.7
55.01633	1.6
55.01875	18.7
55.05494	0.9
63.95884	1.2
65.03944	10.4
67.05508	8.8
69.03430	18.9
71.29175	1.0
71.29619	1.6
77.03884	1.0
79.05495	48.1
80.05824	1.1
91.05482	100.0
92.05802	5.3
92.06298	2.1
93.04528	1.6
93.07046	15.8
94.06548	1.2
94.07382	1.2
95.04967	8.9
95.06078	1.2
98.50642	1.0
105.04507	1.9
105.07034	28.7
106.07355	1.8
107.04961	5.6
107.08595	54.2
108.08935	3.3
109.01112	4.4
109.06525	12.1
114.60426	1.0
115.05456	32.9
116.05692	1.9
117.07009	21.0
118.06528	1.5
118.07316	1.4
119.03591	1.5
119.06067	9.1
119.08571	2.4
120.05689	2.0
124.05231	1.1
126.59470	0.9
134.07133	1.5
135.04405	0.9
135.05577	1.3
135.08054	43.3
135.11699	2.7
136.02161	48.1
136.05142	2.0
136.06190	17.4
136.07523	2.5
136.08559	4.6
136.11240	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	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03950	5.8
54.38171	1.1
55.01876	16.9
55.05511	2.1
57.80582	1.0
63.32000	1.1
65.03945	11.7
67.05502	6.6
69.03434	15.5
69.05265	6.1
69.05682	2.9
79.05499	52.9
80.05041	1.6
80.05819	2.2
81.03432	1.8
81.07066	1.6
91.05488	100.0
92.05807	4.3
92.06300	1.9
92.32562	1.0
93.07045	12.8
94.04082	1.2
95.04980	9.8
105.04517	1.7
105.07040	33.7
106.07368	2.3
107.04952	5.2
107.08603	51.5
108.08128	1.1
108.08919	4.5
109.01095	11.2
109.06543	11.3
115.05473	28.9
117.07020	21.3
118.07340	1.6
119.03556	4.3
119.06093	9.2
119.08585	2.4
120.05721	1.8
124.05259	2.2
135.04451	1.7
135.08063	35.4
135.09100	2.1
135.11697	3.6
136.02171	98.0
136.06184	27.0
136.07547	3.2
136.08429	2.5
136.11232	3.6
137.04572	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03948	7.2
55.01877	6.6
55.05510	7.6
65.03938	7.5
67.05520	7.9
69.03426	1.8
69.07067	2.1
71.14117	2.2
71.14473	1.9
77.03893	2.4
79.05495	42.9
80.05840	1.4
81.03416	16.5
81.07037	2.2
89.03910	8.7
91.05483	100.0
92.05791	3.8
92.06304	2.6
93.07045	44.5
94.07372	2.3
95.04965	9.1
103.05459	3.2
104.06242	3.5
105.04517	3.2
105.07034	42.8
106.07346	1.8
107.04971	8.4
107.08596	80.2
108.08167	1.5
108.08941	5.3
109.01115	2.9
109.06534	7.0
115.05454	6.5
117.03377	3.0
117.07031	15.4
119.03562	2.7
119.06065	5.4
119.08580	55.9
120.09428	14.3
133.10143	3.0
135.04478	5.8
135.08061	61.9
135.10696	2.0
135.11696	32.4
136.02168	34.8
136.06180	22.6
136.08434	3.7
136.12074	2.9
137.04593	1.6
137.09602	2.7
147.09158	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02363	0.8
53.03947	7.0
55.01867	1.9
55.05513	8.1
55.69464	0.7
63.02360	0.9
65.03938	2.8
67.05505	15.2
69.05233	2.6
69.05663	5.0
69.07075	4.7
69.07381	0.7
77.03915	1.5
78.51482	0.8
79.05492	46.6
80.05009	1.8
80.05814	1.7
81.03377	1.7
81.07052	16.9
82.07418	1.0
86.48109	0.7
89.03917	21.7
89.04471	1.1
90.04313	1.0
90.78579	0.8
91.05481	24.2
93.05782	2.6
93.07043	59.2
94.04058	1.2
94.06584	2.2
94.07371	2.6
95.04977	7.9
98.23376	1.7
102.77189	0.9
103.80775	0.7
105.04504	3.1
105.07041	7.2
107.04952	7.3
107.08597	40.4
108.04482	1.1
108.08106	2.2
108.08898	1.7
109.01104	11.1
109.06512	1.9
115.05463	2.5
117.03367	5.1
117.07027	2.0
118.06545	1.0
119.03546	3.4
119.06046	2.0
119.08581	1.9
120.05692	0.8
125.92590	0.8
135.04431	10.2
135.05431	1.2
135.08072	13.3
135.11685	24.0
136.02162	100.0
136.06180	34.6
136.07550	6.5
136.11191	2.1
136.12085	1.6
137.04585	1.9
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
51.02367	0.8
53.03941	6.3
54.52614	0.8
55.01869	2.0
55.05512	7.6
56.89104	0.9
65.03930	3.3
67.05502	29.6
68.02029	0.7
68.05826	1.3
69.07073	5.6
70.59111	2.1
71.30093	0.7
79.05492	50.8
80.05000	1.1
80.05798	1.0
81.03401	1.4
81.06584	1.4
81.07058	22.6
82.07416	0.9
88.39989	0.7
91.05479	24.3
91.82500	0.7
92.05773	0.8
93.07043	63.5
94.04064	1.5
94.06532	0.8
94.07379	3.2
94.07899	1.0
95.04964	6.7
105.04520	2.3
105.07023	5.7
107.04948	2.5
107.08592	38.2
108.04469	1.1
108.08902	1.1
109.01099	11.5
109.06510	1.7
115.05454	2.4
117.07015	1.6
118.06562	1.2
119.03572	3.5
119.06082	1.6
119.08559	1.3
121.08944	0.9
135.05537	2.4
135.06467	0.7
135.08064	8.4
135.09035	1.4
135.11693	30.0
136.02159	100.0
136.06175	31.8
136.07541	4.0
136.08449	1.2
136.11192	2.8
136.12030	2.1
137.04565	2.4
152.59898	0.9
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
51.02380	1.0
52.01049	0.7
53.03941	6.2
55.01873	1.7
55.05511	10.2
57.07061	0.8
65.03939	4.5
67.05505	41.2
68.05830	1.2
69.07060	8.9
70.17802	1.4
70.18150	2.1
77.03904	0.9
78.04704	0.9
79.05494	65.9
80.05022	0.8
80.05820	2.5
81.03419	1.0
81.07055	32.9
82.07384	0.9
85.09777	0.7
91.05481	32.0
92.05795	1.5
93.05786	2.3
93.07043	88.6
94.06556	1.7
94.07370	4.5
94.07887	1.4
95.04961	8.5
98.15006	0.8
105.04514	4.8
105.07021	7.8
107.04949	3.0
107.08594	49.8
108.08147	1.4
108.08924	2.6
109.01101	11.9
109.06537	2.2
115.05485	2.2
117.06991	1.4
118.06520	1.2
119.03537	4.8
119.06040	1.6
119.08598	1.4
135.05551	1.4
135.08080	11.2
135.09084	1.3
135.11693	43.3
136.02161	100.0
136.06183	31.6
136.07547	4.1
136.11191	3.1
136.12056	2.4
137.04597	3.3
147.88533	0.7
153.62642	1.0
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
53.03946	3.7
53.34722	0.7
55.01870	1.4
55.05515	4.4
65.03943	1.1
67.05508	5.7
69.07066	2.2
71.28639	1.0
79.05494	17.7
80.05006	1.0
81.03416	1.0
81.07057	6.8
89.03954	0.7
91.05481	12.2
93.05792	1.7
93.07048	23.1
94.06565	0.8
94.07358	1.1
95.04979	3.3
101.74202	0.5
105.04504	1.3
105.07064	3.5
107.04956	5.6
107.06092	0.8
107.08593	16.6
108.08945	0.9
108.84527	0.5
109.01091	9.2
109.06499	0.8
115.05402	1.2
117.07035	0.7
118.06559	1.1
119.03546	2.3
119.08545	1.3
121.08890	1.1
132.51715	0.6
135.04436	1.0
135.05486	1.4
135.08063	6.7
135.09143	1.1
135.11687	11.0
136.02162	100.0
136.06184	22.3
136.07545	2.6
136.11194	3.1
137.04562	1.7
137.45969	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03947	7.1
55.01864	1.5
55.05511	10.4
59.04989	2.6
65.03935	4.1
66.21561	0.9
67.05509	4.9
69.03422	1.0
69.07067	4.5
69.39163	6.1
72.55027	0.9
77.03938	2.1
79.05495	28.2
81.07064	4.7
86.20487	0.9
87.04478	1.3
89.03926	5.9
91.05483	56.6
92.05814	2.3
93.07046	51.2
94.07374	2.0
95.04973	6.0
97.20992	1.1
103.05466	1.3
105.04511	3.2
105.07030	24.5
106.04281	1.0
107.04962	3.9
107.08594	100.0
108.08209	1.4
108.08912	6.4
109.01124	4.5
109.06515	8.3
115.05434	1.4
117.03371	1.1
117.07018	3.8
118.06558	1.1
119.03556	2.1
119.06083	6.4
119.08587	8.9
120.09376	2.7
135.04427	2.9
135.08061	6.9
135.11705	21.1
136.02164	48.5
136.06184	19.1
136.07394	1.9
136.11169	1.3
137.04550	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03952	6.3
55.05513	10.6
56.54612	1.0
57.07079	1.2
65.03945	4.1
67.05491	5.2
67.62613	1.0
69.07068	2.3
71.10349	1.3
77.03917	1.4
79.05498	21.7
80.05831	1.2
81.03425	1.3
81.07071	5.0
84.66481	1.1
91.05483	52.8
92.05785	2.4
93.07043	47.5
94.07338	1.3
95.04979	6.1
100.69634	1.0
105.04517	2.9
105.07032	26.7
107.08595	100.0
108.08938	5.2
109.06502	6.2
115.24153	1.2
117.06995	3.4
119.06057	5.2
119.08564	9.9
120.09389	3.1
135.08055	2.6
135.11700	16.2
136.02156	11.0
136.06168	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	136.0619
Annotation	Adenine
Peak:m/z	Relative Intensity
56.13878	0.1
56.96546	0.2
58.99863	0.2
65.80669	0.1
67.02998	0.7
69.03414	0.2
71.27042	0.2
75.00097	0.1
75.88390	0.1
80.05022	0.4
81.07043	0.2
82.04065	0.2
91.05470	0.8
92.02473	0.9
93.05783	0.2
94.04057	4.6
94.06559	0.8
95.04410	0.2
96.08247	0.1
108.04477	0.3
108.08120	0.4
109.01097	0.2
109.05135	0.9
112.05074	0.4
113.00865	0.9
119.03547	13.1
120.03924	0.4
122.03611	0.3
131.01904	4.5
132.02055	0.5
136.02179	2.4
136.06184	100.0
137.04599	7.2
137.06593	2.9
138.04906	0.2
149.02937	0.6
154.03535	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0619
Annotation	Adenine
Peak:m/z	Relative Intensity
50.07576	0.2
65.61574	0.2
67.02986	0.6
69.93658	1.1
70.08867	0.2
75.80019	0.2
76.58849	0.2
81.27180	0.2
92.02486	0.8
94.04053	4.2
98.47999	0.3
107.99072	0.2
109.01105	0.3
109.05136	0.9
115.32455	0.3
119.03556	15.2
130.49632	0.3
136.02191	2.3
136.06189	100.0
137.04593	7.4
137.06657	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	136.062
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31467	0.2
55.11989	0.2
56.96550	0.2
67.02973	0.6
68.25899	0.2
69.59754	0.5
79.05495	0.2
79.35595	0.2
80.13702	0.2
81.07043	0.4
82.04026	0.3
91.05480	0.4
92.02474	0.9
94.04063	3.7
98.22623	0.2
109.01100	0.2
109.05109	1.0
110.97556	0.2
112.05062	0.3
115.12463	0.2
119.03553	13.9
120.03895	0.4
122.03613	0.2
125.23710	0.2
130.45410	0.2
131.01909	0.3
136.02196	1.6
136.06187	100.0
137.04604	7.0
137.05719	0.6
137.06511	2.5
141.11768	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.8
53.03951	6.3
54.03463	0.7
55.01873	15.5
55.05510	1.9
65.03947	7.4
66.04719	4.6
67.05508	17.0
68.05026	2.7
69.03430	10.1
69.07054	0.9
70.02943	1.7
71.28213	0.9
77.83337	0.7
79.05494	11.2
80.05019	54.0
80.05807	2.8
81.03429	3.4
81.05352	2.0
81.07060	21.8
91.05482	38.9
92.04993	2.0
92.05821	4.9
93.05790	25.4
93.07034	3.6
94.04183	26.1
94.06586	4.6
94.07378	1.3
95.04985	4.5
95.08601	7.4
96.04501	2.1
105.04519	1.5
106.06573	9.7
106.07339	1.9
107.04959	3.6
107.07326	2.4
107.08592	1.7
108.04484	40.8
108.05193	1.6
108.08121	62.1
108.08830	2.1
109.01117	10.8
109.04798	1.5
109.06541	4.2
109.08466	3.2
109.10143	5.2
110.06039	8.2
117.05749	1.7
118.06561	5.6
118.07279	1.2
119.03555	7.1
119.04929	1.0
119.08588	2.7
120.08927	2.6
120.46518	0.9
121.02879	3.4
121.06515	1.3
122.03645	35.2
122.07325	5.7
126.82146	0.7
134.06021	2.0
136.02165	100.0
136.05275	1.5
136.06187	61.1
136.07571	74.6
136.08371	4.4
136.11121	1.4
136.12041	2.0
137.02538	6.1
137.04607	6.6
137.05969	55.6
137.07779	4.5
137.09602	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	136.0758
Annotation	N-Benzylformamide
Peak:m/z	Relative Intensity
51.02368	1.3
53.03721	1.0
53.03948	7.6
55.01877	22.4
55.05510	2.4
65.03945	7.0
66.04719	2.2
67.04241	1.1
67.05508	15.4
68.05031	2.8
69.03439	14.6
69.07059	1.2
70.02934	2.1
70.77584	1.5
79.05499	15.7
80.05022	67.8
81.03412	2.5
81.05372	1.4
81.07066	22.8
90.49512	1.0
91.05483	47.5
92.04993	2.2
92.05804	5.0
93.05795	30.9
93.07043	3.6
94.04187	25.1
94.06588	5.4
94.07369	1.8
95.04976	6.5
95.08611	5.2
96.04495	3.2
106.06570	15.0
106.07270	2.1
107.04964	4.1
107.07336	3.4
107.08640	2.4
108.04485	49.2
108.05235	2.6
108.08125	85.6
108.08849	3.8
109.01101	12.8
109.04834	1.5
109.06512	4.2
109.08491	5.0
109.10159	6.7
110.06043	8.8
117.05762	1.4
118.06561	8.4
119.03560	10.5
119.04904	1.2
119.08601	3.1
120.08913	2.5
122.03658	31.0
122.07306	4.9
134.06030	2.2
136.02171	100.0
136.06195	66.0
136.07582	95.4
136.11156	1.8
136.12085	2.0
137.02539	7.2
137.03542	1.4
137.04596	6.9
137.05966	49.5
137.07803	5.6
137.09608	12.2
153.48650	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.01590	0.3
51.02367	0.8
53.03947	1.1
55.01876	0.8
63.48721	0.1
65.03943	2.2
66.04724	9.7
67.05075	0.4
67.05493	0.7
69.03419	0.5
69.66312	0.8
73.77026	0.1
77.03926	1.3
79.05490	5.1
81.03418	0.3
81.07055	2.0
82.07401	0.2
85.09563	0.2
91.05482	4.4
92.05799	0.2
93.03373	0.5
94.04186	60.4
95.04462	2.3
95.05088	1.0
95.66233	0.2
98.22676	0.2
105.03395	0.7
105.04511	0.5
107.04958	2.1
109.06512	0.6
111.04451	0.3
122.03647	79.1
123.03983	4.0
135.04408	0.8
137.05974	100.0
138.06313	6.3
145.19128	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02381	0.6
51.92946	0.4
53.03946	1.5
55.01874	0.9
65.03942	2.6
66.04725	9.4
66.30410	0.3
67.05077	0.4
67.05502	2.0
69.03423	0.7
70.43849	1.0
77.03922	1.2
79.05490	4.5
81.07075	2.9
91.05482	6.0
93.03392	0.4
94.04187	60.3
95.04456	2.5
95.05059	1.7
95.08616	0.6
96.04490	0.7
105.03376	1.0
105.04541	0.5
107.04966	2.4
107.58344	0.3
109.06533	1.8
109.10217	0.5
110.01418	0.4
110.06061	0.6
120.04496	1.0
121.06492	0.4
122.03649	78.0
122.07287	1.1
123.03993	3.4
135.04424	0.7
137.02525	4.3
137.05974	100.0
137.09483	2.0
138.01749	1.7
138.05447	1.7
138.06332	4.8
138.09093	0.6
146.92711	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02378	0.7
53.00306	0.5
53.03944	2.4
55.01865	2.3
55.05534	2.0
57.07090	1.2
57.99429	0.4
65.03942	5.5
66.04719	8.5
66.05027	0.6
67.01858	3.0
67.05128	1.2
67.05505	17.6
68.05009	0.7
68.05866	0.7
69.03454	1.3
69.07079	1.6
69.32729	3.1
71.32958	0.4
77.03929	1.1
78.03469	0.6
79.05495	10.1
80.05027	0.6
80.05841	0.8
81.03429	2.1
81.07056	16.6
81.07520	0.9
82.06598	1.8
82.07403	0.8
88.33966	0.5
91.05484	15.6
92.05038	1.1
92.05810	1.2
93.05797	0.8
93.07051	3.7
94.04184	53.8
95.04501	1.8
95.05013	5.4
95.06069	0.5
95.08607	15.3
96.04482	5.1
96.08949	1.1
105.03398	0.6
105.04546	1.3
107.04946	4.1
107.08558	1.2
108.04496	1.1
109.04775	0.5
109.06520	5.6
109.07684	0.6
109.08463	0.9
109.10158	5.3
110.01440	0.5
110.06055	3.7
110.09679	0.6
117.06956	0.6
119.04939	1.1
119.08577	2.5
120.04481	1.5
120.08081	0.8
121.02888	3.3
121.06494	1.1
122.03648	71.4
122.07280	6.9
123.03977	4.2
123.06796	1.0
124.03987	0.6
135.04413	0.8
137.02533	5.7
137.05969	100.0
137.09592	11.1
137.10645	0.7
137.13254	1.2
138.01805	2.2
138.05463	21.5
138.06361	4.5
138.09097	2.0
138.10016	0.9
155.25075	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03946	9.0
55.01869	20.7
55.05511	14.5
57.03440	1.7
57.07067	9.9
61.22988	1.3
65.03954	8.3
66.04706	3.1
67.01601	1.3
67.01870	16.1
67.05505	100.0
68.05025	5.0
68.05817	3.1
69.03416	4.7
69.07075	7.8
70.82173	1.7
79.05494	24.3
79.81599	1.5
80.04939	1.5
80.05819	3.1
81.03408	4.6
81.07056	76.0
82.06565	4.0
82.07384	1.9
84.99014	1.4
90.06480	1.3
91.05479	34.0
92.05816	4.4
93.07031	16.0
94.04185	19.6
95.04967	16.1
95.08607	76.9
96.04497	3.9
96.08921	3.9
103.05480	2.0
105.07008	1.6
107.04280	2.2
107.04951	26.5
107.08586	13.9
108.05742	1.8
109.06518	26.6
109.07664	1.7
109.08474	2.1
109.10152	66.8
110.01387	1.8
110.06058	16.4
110.06783	2.2
110.09667	9.0
110.10464	3.8
112.67654	1.4
117.06997	2.2
117.73367	1.4
119.04960	1.5
119.06022	2.5
119.08586	19.7
120.04482	3.6
121.02893	2.1
121.06504	10.4
121.09248	1.5
122.03657	24.7
122.07285	88.9
123.07634	2.2
135.08047	3.8
137.02507	12.3
137.04597	4.4
137.05933	43.0
137.09612	97.9
137.13196	6.9
138.01736	5.9
138.05502	12.4
138.09129	6.4
138.09967	4.3
141.73187	1.3
148.91611	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03948	6.9
55.01857	5.1
55.05513	12.9
57.03428	2.3
57.07062	2.9
59.04979	1.8
65.03948	10.0
66.04724	5.6
67.01859	5.0
67.05506	100.0
68.05824	4.0
69.03124	1.2
69.03436	11.4
69.07067	9.0
70.06557	1.6
70.84310	3.0
79.05072	1.8
79.05497	22.6
80.05833	1.3
81.03429	4.4
81.07059	46.1
82.06564	3.2
82.07368	1.9
91.05482	53.2
92.04958	1.4
92.05795	4.2
93.05779	1.9
93.07040	19.4
94.04188	39.4
94.06545	1.3
94.07313	1.1
94.07856	1.4
95.04452	1.9
95.04980	20.9
95.08611	47.7
96.05254	1.5
97.07886	1.0
101.64781	1.2
103.05481	1.1
105.07018	7.5
107.04957	10.7
107.08598	39.8
108.05717	3.5
108.08913	1.6
109.02858	1.6
109.05782	2.4
109.06523	49.4
109.10159	55.5
109.10918	2.8
110.01405	1.1
110.06017	7.5
110.06837	3.6
110.09703	2.7
110.10489	3.3
117.07001	3.3
119.06096	5.7
119.08583	21.4
120.04487	1.9
120.08125	1.3
121.02888	2.1
121.06460	1.4
122.03650	41.7
122.07280	19.9
123.04005	2.1
128.56226	1.2
135.08063	1.3
137.02538	8.3
137.04782	1.8
137.05962	58.8
137.09616	46.2
137.10684	2.9
137.13203	2.9
138.01703	2.5
138.05452	5.9
138.06352	2.9
138.09116	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	137.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.9
55.01873	13.7
55.05519	11.9
57.03422	2.7
57.07061	5.1
63.99937	2.0
65.03931	8.8
66.04715	6.5
67.01867	9.5
67.05502	100.0
69.03419	6.6
69.07062	5.1
77.20146	1.8
79.05493	27.5
80.06253	1.9
81.03410	4.6
81.07057	57.3
82.06549	3.3
83.04976	4.2
91.05481	47.7
92.05811	2.1
93.05795	3.4
93.07047	13.1
94.04183	36.4
94.07808	2.8
95.04973	24.9
95.08603	94.4
96.04486	3.2
96.08919	4.8
103.05483	2.7
106.04826	2.3
107.04957	28.9
107.08595	10.5
108.05743	4.1
109.06515	44.6
109.10152	58.1
110.06014	11.1
110.06760	3.6
110.09682	2.5
110.10481	2.8
117.06978	4.0
119.06068	4.5
119.08584	25.4
120.04496	3.1
121.06516	9.3
122.02880	1.7
122.03645	45.2
122.07283	86.0
123.03992	3.3
123.06779	2.3
123.07607	4.2
135.08041	4.3
137.02524	10.8
137.04782	3.4
137.05949	64.8
137.09605	99.8
137.13222	3.6
138.01712	4.8
138.05449	8.3
138.06371	4.5
138.09038	2.4
138.09953	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	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
50.34887	0.9
53.00306	1.0
53.03945	6.6
55.01880	5.1
55.05512	9.6
65.03948	7.3
66.04696	1.6
66.17330	1.0
67.01870	9.0
67.05503	74.8
68.05038	1.6
68.05839	2.6
68.15893	1.2
69.03441	5.8
69.07064	4.1
79.05490	16.2
80.05025	1.0
80.06271	1.1
81.03403	4.7
81.07053	35.8
82.06580	4.0
82.07359	1.5
83.04966	2.3
91.05479	36.6
92.05020	1.1
92.05808	1.9
93.05771	2.0
93.07034	10.0
94.04182	13.1
94.07820	1.8
95.04971	20.6
95.08602	19.3
101.97568	1.1
103.05452	2.8
104.06281	2.0
105.04500	1.3
105.07047	1.3
107.04950	29.9
107.08578	3.9
108.05808	1.4
109.06516	42.6
109.10153	50.8
110.06049	8.4
110.06797	1.8
110.10449	2.4
117.07014	4.6
119.04977	1.1
119.06059	2.1
119.08574	18.5
120.04485	2.1
120.08920	1.3
121.02895	2.2
121.06503	13.1
122.03650	15.4
122.07287	100.0
122.20232	0.9
122.41398	1.1
123.07597	5.5
135.08064	4.2
137.02527	5.4
137.05959	21.9
137.09608	97.0
138.01724	2.3
138.05513	7.5
138.09999	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	137.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34887	0.9
53.00306	1.0
53.03945	6.6
55.01880	5.1
55.05512	9.6
65.03948	7.3
66.04696	1.6
66.17330	1.0
67.01870	9.0
67.05503	74.8
68.05038	1.6
68.05839	2.6
68.15893	1.2
69.03441	5.8
69.07064	4.1
79.05490	16.2
80.05025	1.0
80.06271	1.1
81.03403	4.7
81.07053	35.8
82.06580	4.0
82.07359	1.5
83.04966	2.3
91.05479	36.6
92.05020	1.1
92.05808	1.9
93.05771	2.0
93.07034	10.0
94.04182	13.1
94.07820	1.8
95.04971	20.6
95.08602	19.3
101.97568	1.1
103.05452	2.8
104.06281	2.0
105.04500	1.3
105.07047	1.3
107.04950	29.9
107.08578	3.9
108.05808	1.4
109.06516	42.6
109.10153	50.8
110.06049	8.4
110.06797	1.8
110.10449	2.4
117.07014	4.6
119.04977	1.1
119.06059	2.1
119.08574	18.5
120.04485	2.1
120.08920	1.3
121.02895	2.2
121.06503	13.1
122.03650	15.4
122.07287	100.0
122.20232	0.9
122.41398	1.1
123.07597	5.5
135.08064	4.2
137.02527	5.4
137.05959	21.9
137.09608	97.0
138.01724	2.3
138.05513	7.5
138.09999	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	137.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03890	1.4
53.03937	2.8
55.05502	2.2
65.03972	1.7
67.05506	33.2
68.05833	1.2
74.56469	1.3
79.05491	5.3
81.07065	10.4
91.05500	15.0
93.07047	3.5
94.04234	1.6
94.07845	1.3
95.04963	3.2
95.08611	9.8
103.05490	2.3
107.04955	26.2
109.10156	35.2
116.05718	1.3
119.08590	16.5
121.06491	9.7
121.13867	1.3
122.03651	3.3
122.07288	100.0
123.07635	6.6
131.63629	1.4
135.08049	4.6
137.02415	2.0
137.05981	5.5
137.09621	81.2
138.09967	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.5
55.01868	0.7
55.05512	3.0
55.22631	0.7
57.07067	1.2
58.39641	0.7
62.76607	0.7
65.03942	2.9
66.04729	1.1
67.01850	3.7
67.05505	35.3
68.05840	0.8
69.03432	2.7
69.07073	2.5
69.11982	3.5
69.12383	1.9
70.01532	0.7
79.05486	9.6
81.07055	15.8
82.06572	1.3
87.37646	0.7
91.05481	16.3
92.05829	1.0
93.05801	1.2
93.07034	4.2
94.04190	7.5
94.07851	1.2
95.04973	4.4
95.08050	1.3
95.08614	15.8
96.04470	1.2
98.22590	1.2
103.05491	2.5
104.06226	1.1
105.04561	1.0
107.04957	28.1
107.08604	2.0
107.27098	0.7
108.05283	1.3
109.06515	3.0
109.10152	31.2
110.01420	0.9
110.06044	3.1
110.09712	0.8
110.10480	1.3
117.06997	1.7
118.98383	0.7
119.04976	0.8
119.08578	16.5
120.04474	1.1
121.02853	1.4
121.06513	9.3
122.03672	8.4
122.07287	100.0
123.07626	6.0
135.08034	4.4
137.02515	7.3
137.05948	12.6
137.09613	78.8
138.01726	2.4
138.05482	4.4
138.06415	0.9
138.09091	1.9
138.09970	6.0
157.51382	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
51.30814	0.8
53.03939	3.0
55.01883	1.2
55.05506	2.2
57.07069	0.9
58.81719	0.8
61.01247	0.8
65.03933	4.4
66.04701	1.7
67.01862	5.1
67.05505	35.1
69.03407	1.2
69.07061	1.6
70.97407	0.9
71.28796	1.3
74.85040	0.8
75.50473	0.8
78.76368	0.9
79.05484	9.8
81.03397	1.5
81.07054	17.3
82.06572	3.2
91.05482	17.2
92.05013	1.4
92.05811	1.3
93.05807	2.0
93.07040	7.0
94.04177	9.9
94.07838	1.5
95.05014	5.0
95.08054	1.3
95.08608	18.0
96.04447	1.7
104.06248	1.7
105.04504	1.3
107.04951	23.8
107.08573	2.2
109.05312	1.0
109.06528	3.8
109.07647	1.5
109.10154	30.6
110.01453	1.3
110.06044	7.3
110.10450	1.2
117.07005	2.5
119.08585	16.0
120.04461	3.1
120.08934	1.0
121.06512	10.9
122.03651	10.8
122.07283	100.0
123.06791	1.6
123.07619	3.8
135.08078	3.1
137.02518	12.6
137.05920	16.8
137.09612	76.0
138.01779	5.3
138.05521	7.4
138.06421	1.7
138.09111	3.3
138.10031	4.8
156.01341	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03955	2.4
55.05517	2.7
65.03976	1.5
66.89683	0.7
67.01884	1.1
67.05511	26.3
68.05847	1.2
69.03436	1.8
69.07073	1.4
71.94975	0.7
77.03942	1.1
79.05488	5.3
79.09801	0.6
80.17427	0.7
81.07065	8.4
81.61955	0.6
91.05485	12.1
93.07030	3.8
94.04189	3.5
94.07848	1.2
95.04974	2.2
95.08613	6.2
98.22649	1.8
101.53986	0.7
103.05467	1.6
104.06305	1.2
105.04513	0.9
107.04964	27.0
107.08587	2.0
109.06565	1.0
109.10163	31.5
110.06058	1.7
110.10525	1.0
117.07052	2.5
119.08591	17.0
120.08907	1.3
121.06525	10.9
122.03673	3.7
122.07294	100.0
123.07616	4.6
135.08067	3.2
137.02502	1.4
137.06021	6.5
137.09622	80.3
138.01791	0.9
138.09950	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	alpha-Terpinene
Peak:m/z	Relative Intensity
51.02388	0.7
53.03949	2.7
55.01871	0.7
55.05515	7.1
57.07076	11.3
58.07403	0.6
62.20307	0.7
65.03936	4.6
66.04717	4.1
67.01871	2.5
67.05503	40.7
68.05843	0.9
69.03434	1.0
69.07069	8.4
69.51466	3.5
77.03949	1.1
79.05492	15.6
80.05060	0.7
80.05862	0.9
81.03441	1.2
81.07056	77.2
82.06578	1.7
82.07378	3.5
91.05479	16.7
92.05014	1.3
92.05800	0.7
93.05802	0.8
93.07041	13.8
94.04189	30.7
94.06567	1.2
95.04476	1.1
95.04993	6.1
95.08605	100.0
96.05308	0.7
96.08949	4.2
98.23351	0.8
105.04544	0.7
107.04961	6.2
107.08595	1.9
108.05731	1.5
108.09409	1.1
109.06519	47.9
109.10160	19.6
110.06049	2.5
110.06876	2.5
110.10492	1.0
119.06082	3.6
119.08604	2.2
120.04365	0.9
120.08112	6.3
121.06475	4.2
122.03651	31.4
122.07288	10.9
122.10949	0.8
123.03964	2.0
123.06755	0.7
123.07632	1.1
137.02528	4.3
137.05971	44.5
137.09621	17.7
137.13251	10.0
138.01773	1.7
138.05463	1.7
138.06354	2.6
138.09125	9.1
138.10046	1.3
138.13602	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03946	2.3
55.05519	9.3
57.07079	14.2
65.03949	2.1
67.01849	2.8
67.05506	32.8
69.07071	7.7
70.12249	2.5
79.05508	12.2
81.07060	80.9
82.06613	1.4
82.07383	2.9
91.05495	3.6
92.05025	1.2
93.05807	2.4
93.07059	9.8
95.08610	100.0
96.04510	1.1
96.08946	4.5
107.04970	1.5
107.08643	1.6
109.06541	1.4
109.10158	10.2
110.06048	4.9
119.08592	1.6
120.04498	1.3
121.06473	1.3
122.03632	2.5
122.07307	3.3
137.02539	8.1
137.06023	4.9
137.09636	4.9
137.13280	8.1
138.01790	3.8
138.05498	4.3
138.09096	2.2
138.13557	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03940	1.9
55.05510	7.4
57.07079	14.6
65.03940	1.3
67.01888	0.8
67.05506	34.3
68.05823	0.9
69.07068	7.5
69.60580	3.2
71.08633	0.6
72.28453	0.5
77.03941	0.6
78.85036	0.5
79.05060	1.0
79.05494	11.1
80.05814	0.7
81.07056	71.4
82.07389	3.1
91.05484	3.9
93.07046	9.0
94.04162	0.7
95.04971	1.0
95.08607	100.0
96.08924	5.1
107.04947	5.6
107.08595	1.7
108.09422	0.8
108.25323	0.6
109.10157	16.4
110.06098	0.7
110.10458	1.1
119.07835	0.7
119.08598	2.6
121.06490	2.1
122.03661	0.9
122.07299	18.6
123.07613	1.1
135.08092	1.0
135.11646	0.6
137.02472	1.8
137.05933	1.0
137.09621	14.3
137.13254	9.2
138.05508	1.5
138.09953	1.2
138.13614	0.9
141.76169	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1324
Annotation	ALPHA-PHELLANDRENE
Peak:m/z	Relative Intensity
53.03940	3.2
55.01865	0.8
55.05513	8.2
55.19822	0.7
57.07070	12.4
59.68949	0.8
65.03927	2.9
67.01862	2.5
67.05503	52.1
68.05827	2.4
69.03430	1.8
69.07059	7.7
69.32699	1.9
69.33100	4.3
79.05490	15.7
80.05838	0.8
81.03429	1.2
81.07053	76.2
82.06565	1.6
82.07355	4.1
91.05479	15.1
93.05769	1.8
93.07035	12.2
94.04165	2.6
94.07852	2.0
95.04964	3.9
95.08603	100.0
96.04510	1.1
96.08923	4.7
103.05418	1.0
104.06221	1.0
105.04511	1.3
107.04958	23.8
107.08598	3.1
108.05293	2.3
108.09384	1.8
108.86788	0.8
109.06479	1.0
109.10152	39.5
110.01412	0.9
110.06013	3.3
110.10487	3.5
117.07047	2.2
119.08574	13.6
120.04515	1.4
121.06510	9.4
122.03635	2.2
122.07283	92.5
122.10904	1.2
123.07597	5.0
135.08080	4.0
137.02527	6.9
137.04820	0.9
137.05887	4.0
137.09613	76.3
137.13223	8.6
138.01752	3.6
138.05470	4.3
138.09058	1.5
138.09976	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	137.1326
Annotation	alpha-Terpinene
Peak:m/z	Relative Intensity
53.03930	1.3
55.05517	7.4
57.07078	11.8
65.03931	1.8
67.05508	34.6
69.03452	1.2
69.07072	7.6
71.30402	1.6
79.05500	9.4
81.07063	71.6
82.06583	1.6
82.07394	3.3
91.05475	3.2
93.07066	7.7
94.04179	1.5
95.04959	2.4
95.08612	100.0
96.04494	1.7
96.08913	4.7
107.08604	1.6
109.10163	11.1
110.06033	1.6
118.13841	1.0
120.04482	1.7
122.03663	2.5
122.07304	2.4
128.10889	1.0
130.45108	1.0
137.02519	7.2
137.05980	4.3
137.09613	4.3
137.10608	1.0
137.13261	8.2
138.01735	3.0
138.05498	5.1
138.09183	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0391
Annotation	Salicylate
Peak:m/z	Relative Intensity
50.01574	0.5
51.02379	1.1
53.03949	13.9
54.04281	0.6
55.01876	1.7
55.05512	0.4
56.96562	6.6
65.03938	5.9
67.05503	4.0
68.99786	0.4
69.03423	0.9
70.46413	0.7
71.01351	0.4
71.95274	1.9
77.03933	2.6
79.66940	0.3
81.03404	1.1
83.04987	0.4
93.03407	0.6
94.06582	0.8
95.04967	100.0
96.05296	4.7
98.97584	23.5
105.04507	7.9
111.04450	4.1
112.07629	0.6
116.98622	15.5
121.02865	60.0
121.03940	5.1
121.66353	0.3
122.03174	2.9
122.06022	0.8
134.99660	5.6
139.03900	9.7
139.07491	0.4
140.04260	0.5
153.00697	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.002
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06877	0.8
56.96569	28.4
56.96853	1.6
59.38140	0.7
70.81072	1.4
71.95274	6.8
86.82993	0.7
98.97585	100.0
99.97919	1.5
116.98623	50.5
134.99672	16.0
153.00700	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85653	0.7
56.96567	24.5
70.41466	1.5
71.95261	8.4
81.62949	0.6
82.18721	0.6
92.82942	0.6
98.23275	0.6
98.97586	100.0
99.97958	1.9
101.01672	0.7
102.80197	0.7
116.98623	59.2
121.75047	0.8
124.24631	0.6
134.99666	22.1
140.00175	0.7
153.00735	2.3
158.01317	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65102	1.6
57.99236	1.7
59.83679	1.7
71.05818	3.5
82.99841	5.1
95.54311	2.1
100.02495	5.0
101.00893	45.9
102.01001	2.0
118.03539	11.9
119.01929	100.0
120.01994	4.8
124.02468	2.3
136.04541	8.9
137.02972	26.0
142.03497	17.6
143.03741	2.2
155.60133	1.9
160.04575	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96579	1.2
58.99865	2.1
62.23286	0.6
68.05055	0.5
69.03426	1.3
69.53077	2.2
70.06573	1.0
70.99855	5.3
77.00916	1.9
77.48153	0.5
81.04556	4.4
82.99848	3.1
83.06105	2.2
89.00900	2.6
95.06092	2.0
96.08142	0.6
97.02884	0.8
97.07677	0.8
98.22653	0.6
100.02487	2.1
100.97247	0.7
101.00888	43.2
103.02396	0.7
118.03532	8.7
119.01927	100.0
120.02037	1.9
124.02446	1.1
125.02400	0.9
125.07126	2.0
136.04538	5.7
137.01941	1.2
137.02957	18.9
137.04559	0.8
138.03026	1.0
142.03503	10.6
143.01886	2.0
143.03448	2.7
143.08151	1.3
160.04552	4.9
161.02971	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
54.32634	0.4
55.01870	0.8
55.05517	1.1
56.96568	5.1
58.99866	2.5
69.03423	1.4
69.85515	2.0
70.99856	5.0
77.00906	1.4
81.03419	0.7
81.04540	1.2
82.01445	1.0
82.99834	4.0
83.04974	0.9
84.96027	0.5
89.00885	2.1
95.06078	0.7
95.26366	0.5
97.02878	1.1
98.23352	0.5
99.12739	0.5
100.02467	2.9
100.97171	0.6
100.98034	0.6
101.00884	46.0
102.00963	0.9
103.02492	0.9
115.02426	0.6
118.03516	7.3
119.01924	100.0
119.23514	0.5
120.01982	2.5
124.02485	1.1
125.02382	1.2
131.01889	0.8
136.04549	4.3
137.02957	19.7
137.04582	0.8
141.03923	0.6
142.03503	10.9
143.01959	2.5
143.03493	2.0
159.04984	0.7
160.04544	5.9
161.02975	2.6
161.04866	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.95497	3.0
60.95140	8.2
69.79863	1.7
71.20548	2.3
72.55807	1.8
82.99838	2.9
94.57589	1.7
100.02485	5.9
101.00877	35.5
112.65382	1.7
118.03519	13.4
118.99165	2.1
119.01926	100.0
119.98798	4.1
120.01952	4.3
124.41898	1.9
136.04538	4.7
137.02962	19.5
137.99855	4.8
142.03494	18.4
153.54604	1.4
160.04514	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	143.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.2
55.01863	0.5
55.05513	0.5
56.96567	2.8
57.95240	0.2
58.99870	2.6
59.99949	0.3
60.95848	0.5
67.05511	0.3
69.03431	1.4
70.06583	0.3
70.99493	0.4
70.99864	6.5
71.27956	0.3
71.28320	0.2
71.99936	0.5
77.00911	2.7
78.00999	0.2
81.03400	0.6
81.04546	1.1
82.99834	3.5
83.04977	0.6
83.06099	0.3
83.99883	0.2
84.04541	0.3
85.02908	0.6
86.99306	0.2
89.00899	3.1
90.01016	0.3
95.01939	0.7
95.06090	0.5
97.01392	0.2
97.02892	2.8
98.06077	1.0
98.97581	0.8
99.04581	0.2
101.00887	40.9
102.00954	4.2
102.96871	1.1
103.00636	1.0
103.01279	0.4
103.02441	0.7
107.01922	0.6
115.02427	0.7
116.98681	0.4
118.03492	0.2
119.01926	100.0
120.02008	12.9
120.03321	0.3
120.97896	0.8
121.01658	2.7
121.02410	0.3
121.03471	0.5
124.02441	0.5
125.02335	2.5
125.07084	0.4
126.05511	0.3
129.03996	0.5
131.01892	1.0
133.03481	0.6
137.02963	18.6
137.04675	0.8
138.03084	2.6
138.04254	0.3
138.98926	0.3
139.02652	0.4
141.03976	0.2
142.03499	1.2
143.00194	0.4
143.01910	2.4
143.03500	3.0
143.08186	0.5
144.02042	0.2
144.03265	0.8
144.06563	0.4
147.05002	0.3
159.05046	0.3
161.01559	0.3
161.02974	2.9
161.04666	0.9
162.03137	0.4
162.04335	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.01868	0.8
55.05499	0.9
56.96562	2.8
57.03425	1.1
57.07066	0.5
58.99867	3.9
59.02212	0.2
59.99934	0.3
60.95843	1.0
61.02932	0.6
65.03942	1.9
67.05505	5.9
69.03434	2.7
70.06586	0.5
70.99860	7.1
71.04990	0.7
71.28220	0.3
71.99934	0.6
73.02900	0.8
75.94553	0.3
77.00918	3.4
79.05472	0.3
81.03371	1.4
81.04520	0.5
82.99847	3.3
83.01314	0.3
83.04974	0.8
84.04501	0.4
84.96036	0.8
85.01405	0.4
85.02905	1.9
85.06537	1.1
87.00847	0.3
88.02638	0.4
89.00894	3.5
90.00954	0.3
95.01936	0.8
95.06095	0.2
97.02894	4.3
97.03896	0.2
97.06519	0.3
98.06051	1.9
98.09709	0.3
98.97577	2.3
100.04515	0.6
101.00882	41.6
101.95023	0.4
102.00946	4.1
102.04196	0.4
102.96881	3.5
103.00632	0.3
103.02438	1.1
105.00376	0.3
107.01902	0.5
108.04177	0.3
109.02887	0.7
111.02958	0.4
113.00882	0.8
113.02379	0.3
115.02424	1.0
115.05455	0.8
116.98615	1.5
119.01921	100.0
120.02005	11.3
120.03307	0.4
120.97904	2.3
121.01655	1.8
121.02406	0.3
121.03455	0.6
124.02447	0.4
125.02394	0.8
125.07119	0.3
126.05524	0.3
129.03989	0.6
131.01903	2.8
131.05566	1.1
133.03479	0.7
134.99718	0.3
137.02960	18.0
137.04663	0.8
138.03059	3.1
138.04253	0.4
138.98911	0.9
139.02676	0.8
142.03470	1.7
143.00229	0.4
143.01892	5.1
143.03439	4.1
143.05560	2.7
144.03291	0.5
144.04773	0.3
144.06546	0.4
144.08060	0.5
145.03450	1.9
147.05002	1.1
149.02992	0.4
149.06589	1.2
155.01927	0.5
157.03493	0.7
159.03278	0.3
160.04639	0.2
160.81677	0.3
161.02962	6.9
161.04607	0.8
161.06596	4.4
162.03105	0.3
162.04301	0.5
163.04543	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.5
55.05517	9.1
56.05038	1.4
57.03438	2.3
60.95840	2.9
60.98743	1.5
65.03943	2.7
65.10963	1.5
65.11333	1.3
67.05498	1.5
69.03430	12.1
69.07069	5.7
70.06591	3.9
78.99773	3.0
79.05495	21.3
81.04554	1.8
81.07060	13.1
83.01311	1.4
83.04978	100.0
84.04486	1.9
84.05299	3.0
85.01153	1.4
85.02901	2.2
95.06121	1.6
97.00825	4.9
97.02886	13.1
97.06528	52.7
98.06051	7.7
98.06840	1.5
99.02699	1.8
101.00900	6.1
101.95068	2.1
102.96907	6.6
113.02975	21.7
115.05427	1.9
116.60461	1.4
118.70071	1.6
119.01912	27.7
120.02031	5.3
120.97909	5.5
121.00822	3.2
121.01612	2.2
123.13180	1.6
125.02369	7.2
125.05982	11.6
125.07957	2.2
125.09631	1.5
126.03753	17.2
128.06206	5.2
137.02960	11.8
138.03094	3.0
138.98932	2.4
139.01817	14.1
143.01662	1.8
143.03394	37.7
143.07051	1.8
144.04764	36.9
144.06575	3.8
144.08102	5.4
144.10248	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1068
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
55.05523	20.8
56.71203	1.9
57.07082	23.7
59.05011	4.9
59.75954	1.9
60.29892	1.9
65.03945	3.1
67.05503	13.8
69.03416	7.1
69.07074	2.8
69.34885	13.7
69.35271	3.4
71.05000	100.0
73.06556	13.2
79.05488	6.1
81.07044	4.7
83.04987	10.6
83.08628	9.2
85.06548	41.5
91.05490	2.6
97.10184	14.0
107.08604	35.9
122.02560	2.5
125.09631	19.1
128.06212	6.4
143.10690	5.0
144.08110	3.0
151.46407	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64118	0.8
53.34491	0.7
55.01864	0.9
55.05515	20.0
57.07079	18.5
59.05006	2.6
60.95848	1.0
61.81946	0.7
62.55697	0.7
64.65884	0.8
65.03546	0.7
65.03931	1.8
67.05510	8.0
67.23726	0.7
69.03438	6.0
69.07072	2.7
70.06626	1.0
70.90334	0.9
71.04996	100.0
72.05341	3.0
72.76539	0.7
73.06561	11.9
73.84985	0.7
79.05485	4.8
81.04584	0.8
81.07078	4.2
83.04987	10.5
83.08623	11.0
84.04478	1.0
85.06546	43.9
85.43545	0.7
86.06896	1.3
91.05483	2.3
97.02876	1.4
97.10179	13.6
98.06060	2.3
102.96883	1.9
103.05494	0.8
105.07091	1.7
107.08599	35.8
108.08928	2.0
115.05463	1.8
120.97945	2.5
125.09636	25.8
126.10021	1.6
128.06226	13.8
138.35014	0.7
138.98978	1.4
139.01804	1.9
143.03424	2.4
143.08609	2.7
143.10670	7.5
144.04803	0.9
144.06628	1.3
144.08115	4.4
145.06485	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1067
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
55.05506	19.9
57.07069	20.4
59.05005	5.9
60.95835	3.1
67.05497	10.2
69.03414	10.4
69.07069	5.7
71.04993	100.0
71.29718	3.5
72.04475	3.1
73.06562	13.5
79.05486	4.4
81.07056	5.1
83.04977	11.7
83.08618	11.1
84.04475	6.1
85.06551	43.9
91.05485	5.7
97.02884	6.6
97.10171	12.7
98.06059	8.4
105.09625	2.5
107.08597	32.3
115.05450	13.1
120.97881	5.2
125.02367	2.7
125.09660	23.2
126.05618	2.9
126.09212	2.8
128.06219	61.3
129.06607	3.2
139.01851	2.8
143.03432	14.0
143.08554	10.7
143.10657	6.3
144.04784	3.9
144.06595	3.8
144.08063	13.5
144.10204	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	143.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	19.9
57.07069	20.4
59.05005	5.9
60.95835	3.1
67.05497	10.2
69.03414	10.4
69.07069	5.7
71.04993	100.0
71.29718	3.5
72.04475	3.1
73.06562	13.5
79.05486	4.4
81.07056	5.1
83.04977	11.7
83.08618	11.1
84.04475	6.1
85.06551	43.9
91.05485	5.7
97.02884	6.6
97.10171	12.7
98.06059	8.4
105.09625	2.5
107.08597	32.3
115.05450	13.1
120.97881	5.2
125.02367	2.7
125.09660	23.2
126.05618	2.9
126.09212	2.8
128.06219	61.3
129.06607	3.2
139.01851	2.8
143.03432	14.0
143.08554	10.7
143.10657	6.3
144.04784	3.9
144.06595	3.8
144.08063	13.5
144.10204	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	143.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	19.9
57.07069	20.4
59.05005	5.9
60.95835	3.1
67.05497	10.2
69.03414	10.4
69.07069	5.7
71.04993	100.0
71.29718	3.5
72.04475	3.1
73.06562	13.5
79.05486	4.4
81.07056	5.1
83.04977	11.7
83.08618	11.1
84.04475	6.1
85.06551	43.9
91.05485	5.7
97.02884	6.6
97.10171	12.7
98.06059	8.4
105.09625	2.5
107.08597	32.3
115.05450	13.1
120.97881	5.2
125.02367	2.7
125.09660	23.2
126.05618	2.9
126.09212	2.8
128.06219	61.3
129.06607	3.2
139.01851	2.8
143.03432	14.0
143.08554	10.7
143.10657	6.3
144.04784	3.9
144.06595	3.8
144.08063	13.5
144.10204	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	144.0326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.01871	1.2
55.05516	2.0
56.96565	1.3
60.95862	2.9
60.98741	2.4
62.01198	1.0
62.92999	2.1
66.65388	1.0
69.03434	2.9
69.97198	2.4
70.06604	2.9
71.01358	0.9
71.05007	2.1
72.04543	1.3
75.94575	1.1
78.99815	3.1
80.05023	1.1
81.03446	1.5
83.05019	1.0
84.04530	4.1
84.08142	1.1
84.96053	3.0
84.99624	1.2
85.02911	5.8
91.05501	1.0
96.04520	1.2
97.00820	7.1
97.02895	1.7
98.06053	9.0
98.97611	2.2
99.04489	3.8
101.00855	2.0
102.00938	7.3
102.02281	3.2
102.96883	6.1
103.00632	18.2
103.01267	1.3
116.98678	1.8
117.07059	1.4
119.01926	16.8
120.02065	56.5
120.03311	13.2
120.97893	6.5
121.00821	6.6
121.01662	100.0
121.96689	3.6
122.02133	1.1
126.05561	3.5
134.99780	1.5
137.02939	6.3
138.03113	29.4
138.04352	14.4
138.99004	5.9
139.01825	20.8
139.02765	48.8
140.03134	1.2
143.03680	1.5
144.03226	17.6
144.06496	4.6
144.08073	9.3
144.10248	2.9
145.07599	1.3
157.00069	1.5
162.04288	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	144.0478
Annotation	4-Methyl-5-thiazoleethanol
Peak:m/z	Relative Intensity
53.19521	0.3
55.05495	0.7
58.99580	0.4
65.03940	3.1
68.05024	1.2
69.03435	0.9
69.05255	0.3
69.25527	1.8
69.25927	0.9
70.99575	0.8
72.00348	0.8
73.01136	0.8
80.05006	0.7
81.05807	0.8
85.01138	1.4
85.02912	1.2
85.13274	0.4
86.01913	0.4
87.02684	0.8
97.01112	0.7
97.02906	0.6
98.00652	1.6
98.06069	0.6
98.23398	0.8
99.02685	4.2
102.96874	0.5
106.22958	0.3
111.30906	0.3
112.02177	3.0
113.02973	70.9
114.03737	2.4
121.00796	0.4
126.03738	36.9
127.04046	1.2
128.81952	0.3
133.46991	0.3
135.80365	0.4
144.04782	100.0
145.05144	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	145.0496
Annotation	1,5-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose
Peak:m/z	Relative Intensity
53.03955	3.5
53.30692	0.6
55.01873	10.3
55.05503	0.9
57.03440	16.9
61.02929	3.6
66.64525	0.6
69.03433	48.6
69.87075	2.2
69.87418	0.9
70.03761	1.4
70.87817	0.6
71.01358	1.7
71.04993	2.6
73.02914	1.6
75.88447	0.7
81.03427	5.4
83.01326	0.8
84.08129	0.7
85.02908	100.0
85.08479	0.7
86.03231	1.5
86.06076	2.0
87.04475	3.8
97.02897	18.2
99.04456	18.9
100.07671	0.9
103.00582	0.9
109.02894	1.3
121.01691	2.6
127.03913	5.6
138.97520	0.7
145.04985	1.6
145.10553	3.0
146.06047	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0496
Annotation	1,5-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose
Peak:m/z	Relative Intensity
53.03947	8.7
55.01634	1.0
55.01875	11.1
57.03443	19.3
61.02931	13.5
67.05516	1.0
69.03431	59.8
70.03757	1.1
71.05009	6.1
71.20448	1.3
72.08158	1.5
73.02921	2.2
81.03419	13.9
81.17928	0.7
83.01346	3.5
85.02908	100.0
86.03234	1.7
93.12686	0.8
97.02892	31.3
97.03524	1.8
98.03264	0.9
99.04462	5.9
103.00665	1.8
109.02881	5.3
119.85340	0.9
121.00887	1.0
121.01662	4.1
127.03918	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	145.0496
Annotation	1,5-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose
Peak:m/z	Relative Intensity
53.03941	3.6
55.01871	7.9
55.05514	1.3
56.96566	2.0
57.03439	17.3
59.05006	0.7
61.02922	4.1
62.92959	1.0
65.00374	0.8
67.93554	0.7
69.03429	39.7
69.07077	1.3
69.43826	0.7
69.59193	4.7
71.01324	1.0
71.04993	15.0
72.08154	4.5
73.02906	1.1
80.60391	0.7
81.03419	6.4
83.01361	1.4
83.04967	1.1
84.08129	1.7
85.02905	100.0
85.06523	0.9
86.03252	2.1
87.04475	1.0
91.05496	2.1
97.02894	13.7
98.03218	0.8
98.97589	2.2
99.04453	13.6
101.00877	1.3
109.02888	1.9
113.02375	3.2
116.36608	0.9
116.98594	1.1
117.07024	1.2
118.06522	1.6
119.01885	1.9
121.00822	2.1
121.01669	1.1
121.96666	1.3
125.71310	0.7
127.03909	5.7
127.26325	0.7
128.04959	2.5
139.01849	2.0
143.01912	1.8
145.04950	1.6
145.06462	1.6
146.05991	8.7
161.03004	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
54.69662	1.4
61.85533	1.3
62.92993	32.3
67.05498	2.5
67.71738	1.4
71.29279	2.0
71.29667	1.9
79.05495	3.3
86.06064	3.1
87.04478	2.5
91.05486	20.1
101.95145	1.4
103.05470	4.5
103.95583	1.7
105.07033	82.7
106.07378	4.2
107.32775	1.3
115.05447	12.2
115.37269	1.4
116.06252	2.3
117.07023	34.3
118.06551	2.2
118.07330	2.6
121.96642	44.3
128.04927	1.4
128.06216	6.6
129.07010	13.6
130.07800	51.6
131.08150	1.9
141.20399	1.6
143.08580	10.9
144.98254	2.8
145.06490	5.6
145.07596	3.2
145.10123	100.0
146.06081	8.6
146.08122	2.7
146.09430	1.4
146.10475	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	146.0601
Annotation	3-Methyleneoxindole
Peak:m/z	Relative Intensity
57.58464	0.7
58.06596	1.2
59.25338	0.6
65.03942	4.9
70.54325	2.2
71.66322	0.6
72.08157	6.5
74.24796	0.7
84.04514	2.9
84.08143	1.4
91.05483	68.7
92.05826	1.2
101.79343	0.7
103.05495	1.5
105.07047	1.4
112.11224	1.9
115.02544	1.1
117.05769	6.7
118.06546	100.0
119.04946	34.2
119.06845	6.1
119.08562	1.5
128.03372	1.6
128.04973	18.2
129.04407	1.0
129.05334	0.9
146.04271	1.7
146.06012	54.7
147.04416	13.3
147.05460	1.3
147.06355	2.1
147.08017	1.4
157.81355	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1176
Annotation	(R)-2-Aminoheptanoic acid
Peak:m/z	Relative Intensity
55.01867	0.6
55.05517	0.8
56.96565	0.9
57.03432	0.8
58.06601	22.1
59.23378	0.4
64.92813	0.5
65.03941	3.3
69.03428	2.5
70.03762	1.3
72.08149	3.5
82.03736	0.5
84.04504	9.3
84.08140	1.7
85.02895	2.3
86.03250	1.8
86.06066	1.2
87.04477	1.5
91.05482	24.2
98.03227	0.9
98.23389	1.1
98.97612	1.4
100.11257	100.0
101.11593	3.4
103.00627	0.8
104.90797	1.5
105.04498	0.6
112.11230	0.9
116.98570	0.6
117.07029	1.1
118.06545	1.4
119.04939	10.6
119.08566	1.1
119.89523	0.5
121.01647	1.3
122.02047	0.9
128.04968	5.4
129.05330	0.6
129.06952	0.8
130.05002	2.7
146.06012	11.0
146.11760	1.4
146.91832	1.4
147.04420	8.4
147.06371	0.7
147.08054	1.7
164.92931	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.02391	0.4
63.02357	0.5
64.92804	4.4
65.03941	10.7
67.77127	0.4
69.27705	2.4
73.56773	0.4
80.06815	0.5
91.05481	100.0
92.05820	4.1
95.04996	0.5
105.07044	1.5
117.07005	0.5
119.04943	88.9
119.08569	2.1
120.05276	3.7
123.96469	6.6
125.19587	0.4
146.97972	0.5
147.04413	27.1
147.05330	1.0
147.08087	1.0
147.09111	0.8
147.11685	0.9
148.04745	1.5
148.07593	2.5
148.08557	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.03949	0.5
54.64014	0.4
55.05487	0.5
65.03940	12.6
66.78808	0.4
69.42126	1.4
69.42549	1.5
86.61253	0.4
88.57816	0.4
91.05482	100.0
92.05795	4.2
95.64548	0.4
98.22688	0.8
102.04531	0.4
103.05469	0.5
105.07029	3.3
111.30943	0.4
111.41169	0.4
117.07002	1.0
119.04943	79.4
119.08604	3.8
120.05264	3.8
120.08955	0.4
147.04413	27.9
147.08026	1.0
147.11693	1.9
148.04761	1.7
148.07520	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.5
59.15394	0.4
65.03939	12.4
70.56776	0.7
78.13806	0.5
91.05476	100.0
92.05811	4.1
105.07052	0.5
119.04936	89.4
120.05264	3.7
137.38629	0.4
147.04398	27.6
147.11671	0.5
148.04736	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
58.39727	0.5
61.12681	0.4
63.87707	0.4
64.92317	0.5
64.92664	0.5
65.03938	13.5
77.77404	0.5
91.05478	100.0
92.05820	4.4
98.22589	1.2
119.04939	86.0
120.05251	3.6
147.04404	27.5
148.04730	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
61.23903	0.4
63.97443	0.4
65.03615	0.8
65.03942	12.2
66.87447	0.5
67.00736	0.6
69.23680	3.5
83.16534	0.4
85.55983	0.4
91.05480	100.0
91.37804	0.5
92.05816	3.1
96.21239	0.4
119.04942	87.6
120.05258	3.6
147.04405	29.4
148.04735	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10693	0.5
64.31934	0.5
65.03935	12.4
91.05479	100.0
92.05830	3.8
98.23337	1.5
105.07008	0.7
119.04939	89.6
119.08614	1.4
120.05272	3.6
128.91515	0.5
147.04405	30.5
147.11713	0.6
148.04712	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0765
Annotation	L-Glutamine
Peak:m/z	Relative Intensity
55.13110	0.4
56.05036	4.7
56.96575	0.4
57.03408	0.4
65.03938	1.0
67.59821	0.4
71.04996	0.4
71.05585	0.6
74.00665	0.8
84.04506	100.0
84.08160	2.4
85.02927	2.1
85.04379	0.4
85.04834	2.2
87.04461	0.4
91.05487	5.8
92.05808	0.6
101.00934	0.4
101.01733	0.5
101.07147	1.9
102.05546	6.3
119.04935	4.7
130.05006	19.4
131.05357	0.8
147.04443	1.7
148.13304	0.4
149.01219	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0805
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
52.28120	0.3
53.03947	0.3
59.69561	0.3
59.83047	0.3
61.92133	0.2
64.92800	1.2
65.03931	1.8
69.30173	1.2
69.30589	1.0
74.72097	0.3
79.05500	2.2
91.05481	36.0
92.05825	1.9
93.07060	2.0
95.04950	0.8
103.05473	4.1
104.06261	2.9
105.04495	0.4
105.07033	2.5
107.02978	0.3
109.06506	0.7
111.05000	0.3
115.05458	1.7
117.07017	21.4
118.07371	1.3
119.04940	3.1
119.08578	100.0
120.08907	6.2
121.06486	0.3
123.96444	1.2
124.84132	0.3
128.06233	2.2
129.07010	6.9
130.07393	0.5
131.06010	0.4
132.05724	1.1
133.05257	0.4
147.04404	1.0
147.05550	1.0
147.08047	13.4
147.09149	0.8
147.11696	0.9
148.07477	2.3
148.08588	0.5
148.11209	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09840	1.0
51.43455	1.0
53.03939	5.7
55.01867	2.9
55.05508	2.7
65.03940	12.0
69.03426	5.3
69.07061	1.5
70.92204	2.3
79.05494	28.5
81.07048	3.7
91.05480	81.4
92.05795	3.2
93.03397	2.2
93.07043	44.9
93.07636	2.2
94.07323	1.2
95.04968	6.6
103.05457	13.6
103.12840	1.2
105.04543	1.9
105.07030	64.4
106.07804	4.6
107.04910	2.8
107.07694	1.0
107.08589	8.7
108.21734	1.3
109.06532	7.0
111.04394	2.0
115.05464	11.2
116.06236	33.2
117.06584	1.2
119.08580	11.3
121.02875	9.9
121.03983	4.3
121.06500	19.9
121.10143	48.2
122.03128	1.3
122.10460	1.8
123.08053	6.1
128.06219	2.1
129.06992	10.3
131.08562	28.9
132.08920	1.5
133.06584	2.0
133.07617	5.5
134.07256	6.0
147.08060	3.8
149.02344	19.9
149.09616	100.0
150.02632	2.1
150.09962	5.4
167.37758	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
50.09840	1.0
51.43455	1.0
53.03939	5.7
55.01867	2.9
55.05508	2.7
65.03940	12.0
69.03426	5.3
69.07061	1.5
70.92204	2.3
79.05494	28.5
81.07048	3.7
91.05480	81.4
92.05795	3.2
93.03397	2.2
93.07043	44.9
93.07636	2.2
94.07323	1.2
95.04968	6.6
103.05457	13.6
103.12840	1.2
105.04543	1.9
105.07030	64.4
106.07804	4.6
107.04910	2.8
107.07694	1.0
107.08589	8.7
108.21734	1.3
109.06532	7.0
111.04394	2.0
115.05464	11.2
116.06236	33.2
117.06584	1.2
119.08580	11.3
121.02875	9.9
121.03983	4.3
121.06500	19.9
121.10143	48.2
122.03128	1.3
122.10460	1.8
123.08053	6.1
128.06219	2.1
129.06992	10.3
131.08562	28.9
132.08920	1.5
133.06584	2.0
133.07617	5.5
134.07256	6.0
147.08060	3.8
149.02344	19.9
149.09616	100.0
150.02632	2.1
150.09962	5.4
167.37758	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.2
55.01869	2.0
55.05506	3.4
57.07065	2.4
58.36909	1.4
65.03942	57.8
66.04256	2.2
67.05498	2.8
69.07062	4.3
69.42684	1.4
76.35964	1.3
77.03910	1.2
79.05499	14.3
80.05837	1.2
81.07060	4.2
91.05482	21.3
93.03402	13.0
93.07044	20.9
94.07384	1.5
95.04966	3.4
98.03658	2.9
98.23468	2.6
103.05482	4.0
105.07030	34.7
107.08596	33.5
108.08948	2.0
109.06496	1.7
111.04414	6.9
119.08575	10.6
120.09348	1.5
121.02866	61.4
121.03983	20.7
121.06527	2.6
121.10142	61.4
122.03178	4.1
122.10478	4.5
123.08077	4.5
133.07639	2.9
133.10156	2.7
134.10905	2.3
143.47699	1.4
149.02342	100.0
149.05948	4.1
149.09630	13.8
149.13245	10.0
150.02658	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	149.1325
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03934	3.8
55.01871	2.5
55.05507	3.4
57.07073	4.1
65.03941	59.8
67.05516	1.8
69.03424	1.5
69.07063	6.8
70.91779	2.0
70.92129	1.3
71.81992	1.1
77.37353	1.1
79.05499	19.0
81.07030	2.6
82.62952	1.3
88.65663	1.2
91.05475	25.0
93.03408	10.2
93.07046	23.0
95.04955	3.7
98.03645	1.9
102.63685	1.4
103.05455	4.9
105.04506	1.3
105.07030	40.6
106.07288	1.9
107.08596	39.7
108.08929	2.3
109.06493	2.2
111.04450	7.6
116.06224	1.6
119.08582	11.7
121.02863	57.5
121.03970	17.1
121.06499	4.7
121.10143	84.1
122.03224	3.4
122.10452	5.3
123.08073	4.3
131.08565	2.2
133.07613	4.5
133.10133	2.3
134.10934	1.5
149.02341	100.0
149.05930	4.4
149.09607	16.1
149.13255	9.3
150.02654	4.9
150.10033	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Multifidene
Peak:m/z	Relative Intensity
50.93350	1.0
53.03946	2.9
55.05512	5.6
57.07082	3.5
61.07133	1.2
63.13277	1.0
65.03937	10.1
67.05519	1.5
69.07066	5.4
69.15771	7.9
74.05099	1.2
74.63508	1.2
79.05494	16.8
81.07063	2.3
91.04958	2.1
91.05482	20.1
93.03424	1.5
93.07049	25.5
95.04992	2.9
98.22628	2.6
101.95864	1.2
103.05463	3.6
105.07031	48.0
106.07309	2.7
107.08598	47.7
108.08923	2.1
109.06521	3.8
116.83243	1.2
119.08578	16.4
120.05739	1.5
120.09382	2.4
121.02851	8.6
121.04002	3.2
121.10145	100.0
122.10488	5.7
123.08072	5.1
131.08578	1.4
133.07632	6.2
133.10133	3.6
134.10941	4.3
135.11089	1.2
142.62077	1.3
149.02385	13.5
149.09673	5.3
149.13261	14.3
150.13635	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0551
Annotation	5-Hydroxyoxindole
Peak:m/z	Relative Intensity
53.03948	6.5
53.17178	0.4
53.38532	0.5
53.86340	0.4
55.01861	1.0
55.05512	1.9
56.96567	5.9
57.24207	0.4
61.02939	0.7
61.24269	0.5
65.03939	7.2
66.04281	2.2
67.05506	35.2
68.05828	0.9
68.76012	0.4
69.03428	1.3
69.07066	0.5
69.29640	0.4
69.63377	2.1
70.06599	3.2
72.08157	7.9
72.93789	2.9
79.05486	6.3
80.05004	1.1
81.03415	2.2
82.06570	0.7
83.04989	1.9
85.02914	0.8
90.94822	2.4
91.05489	2.4
93.05800	2.3
93.07041	1.1
94.06569	88.5
95.04946	2.9
95.06894	2.9
95.08604	1.7
96.03947	0.5
96.04496	3.1
97.02328	1.3
97.02897	0.5
98.97581	4.6
105.03402	0.5
105.04509	0.8
105.07031	2.9
106.06556	21.8
107.06917	1.4
108.04455	1.0
108.95853	0.5
109.06501	0.6
110.97590	0.7
112.04721	0.8
116.98624	2.0
121.02870	0.6
122.03197	4.7
122.06030	47.8
122.09638	0.7
123.04402	0.5
123.06377	1.8
123.08012	0.7
127.00670	0.6
128.02342	0.5
128.98572	1.2
133.05019	0.5
134.09691	0.9
134.99652	0.6
145.01677	0.7
146.99625	0.7
148.03938	1.4
150.02769	11.1
150.05502	100.0
150.07748	3.7
150.09122	3.2
150.12750	0.8
151.03951	1.1
151.05888	4.6
151.07559	1.2
151.08659	0.5
151.11229	0.6
151.12280	2.5
157.01733	0.9
163.04245	0.5
168.05128	0.8
168.06566	15.5
169.06830	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03946	3.9
53.72485	1.2
54.89154	1.0
55.01868	4.2
55.05516	8.5
56.05021	1.2
56.60939	1.2
57.03427	3.6
57.07071	1.7
57.29508	1.1
57.72668	1.2
63.54850	1.2
65.03926	3.5
67.05506	39.7
68.05000	2.5
69.03427	17.3
69.07053	4.0
71.04993	2.2
71.29762	1.3
71.30212	1.7
72.04498	1.3
79.05495	32.8
80.05006	4.7
80.05796	1.6
81.03425	1.9
81.07054	56.0
82.06580	1.4
82.07375	2.2
83.04986	9.5
84.04475	1.7
85.06536	1.6
88.38727	1.0
91.05479	39.2
92.05000	1.8
92.05814	1.5
93.07039	30.4
94.07381	1.6
95.04983	13.7
95.08605	16.7
96.04498	6.9
96.08126	15.3
97.06520	2.2
98.06051	2.7
105.04520	1.2
105.07029	53.2
106.06545	4.3
106.07280	2.4
107.07403	2.5
107.08591	49.9
108.08925	2.7
109.05303	2.1
109.06520	23.7
109.10152	28.7
110.06016	1.7
115.02089	1.2
118.97404	1.2
119.06091	2.1
121.10147	2.0
123.08056	8.0
123.11698	9.7
124.03957	1.9
124.06681	2.6
124.07587	45.8
131.08572	2.2
133.06464	1.7
133.10124	41.8
134.06001	1.7
134.10449	2.9
136.08820	2.3
151.02837	3.0
151.07552	6.8
151.11182	100.0
152.07062	57.4
152.11522	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	151.1117
Annotation	CARVONE
Peak:m/z	Relative Intensity
53.03951	4.8
55.01867	1.2
55.05510	100.0
56.05853	2.4
57.03422	0.8
57.07062	2.0
59.04998	7.3
59.33901	0.7
65.03948	1.9
67.05501	19.3
69.03429	2.6
69.07073	4.1
71.19044	0.9
79.05490	8.3
80.05042	0.9
80.05856	0.7
81.07053	34.2
82.07414	1.2
83.04996	1.1
89.07813	0.8
91.05471	8.9
91.05929	0.8
93.07041	10.0
95.04962	12.5
95.08597	7.2
96.08172	1.0
97.06525	15.0
103.97938	0.7
105.07018	10.7
107.04931	1.1
107.08584	12.5
108.05788	0.7
109.06509	14.9
109.10151	21.5
110.06082	0.9
110.07353	1.1
121.10136	1.7
122.07342	0.9
123.08092	4.7
123.11690	9.6
123.12437	0.9
124.07578	3.8
124.15845	0.8
125.09661	1.0
126.91930	0.7
131.08612	1.5
133.06525	0.8
133.10121	7.3
135.03041	0.9
135.46274	0.7
136.08940	1.0
138.52707	0.9
151.07578	2.9
151.11177	22.4
152.05707	2.4
152.07080	2.2
152.11571	1.5
152.14360	0.9
162.91399	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	Car-3-en-5-one
Peak:m/z	Relative Intensity
53.02497	1.0
53.03944	5.6
55.01864	1.6
55.05510	100.0
56.05836	3.8
57.07071	3.2
59.04996	4.5
65.03928	3.3
67.01838	0.9
67.05504	28.8
69.03427	5.4
69.07056	5.0
70.58366	2.6
71.04970	2.1
74.78234	1.4
77.85410	1.1
79.05487	15.2
79.36121	1.0
80.04998	4.0
80.05802	1.1
81.03419	2.0
81.07054	53.4
82.06562	1.3
82.07397	1.4
83.04967	1.1
91.05473	11.9
93.07038	10.9
94.06567	2.1
95.04962	17.6
95.08593	15.9
96.04465	1.3
96.08134	2.4
97.06523	17.1
105.07020	22.1
106.06547	1.6
107.07363	1.5
107.08592	16.7
108.09418	1.3
109.06517	25.5
109.09457	1.8
109.10159	28.5
110.06005	2.2
110.10492	1.4
121.06515	2.1
121.10118	2.4
122.07229	1.4
123.04439	1.1
123.08084	10.5
123.11696	13.6
124.07579	9.8
133.06502	1.6
133.10107	8.4
136.08818	2.6
151.02834	2.4
151.03941	2.6
151.07521	3.9
151.08623	2.1
151.11185	40.4
152.07063	8.7
152.10622	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	151.1118
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03948	0.5
55.01863	1.4
55.05514	2.2
55.85462	0.3
57.03425	0.7
57.07066	1.6
59.04988	1.6
65.03925	1.1
65.52766	0.3
67.05503	8.3
69.03418	1.7
69.07059	2.6
71.04984	0.6
79.05489	5.8
80.05020	0.6
81.03387	0.4
81.06584	0.8
81.07057	15.3
83.04972	0.6
91.05484	5.8
92.05804	0.4
93.07046	5.4
95.04973	4.0
95.08611	4.7
95.49971	0.4
96.08144	0.5
97.06540	1.2
103.05447	0.6
105.07034	11.0
106.07407	0.5
107.04939	1.1
107.08601	7.1
108.05737	0.8
109.06521	15.4
109.10162	10.1
110.06780	0.5
110.10519	0.6
116.95126	0.3
118.00558	0.3
119.06073	0.7
121.06487	1.1
121.10153	2.9
122.07295	0.8
123.08073	5.4
123.11706	4.4
124.04047	0.4
124.07622	2.2
131.08589	0.5
133.07599	0.5
133.09250	0.5
133.10138	5.2
136.08849	2.8
149.94652	0.4
151.11182	100.0
152.07031	1.9
152.11507	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	151.1117
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.03932	2.8
55.01867	3.5
55.05510	15.7
57.03421	6.6
57.03693	1.5
59.05013	1.3
67.05508	50.6
68.05836	2.4
69.03124	1.6
69.03435	14.3
69.07066	6.7
69.20121	1.5
71.04979	3.7
79.05067	2.9
79.05496	35.8
81.03436	3.3
81.06586	3.0
81.07061	60.8
83.04985	33.1
85.06526	1.7
91.05485	41.5
92.05817	2.3
92.43541	1.5
93.06468	2.9
93.07047	42.2
95.04971	18.4
95.08621	13.1
105.07034	52.6
106.07379	2.3
107.08597	48.8
108.08913	3.4
109.06519	25.1
109.10159	32.9
123.08077	11.9
123.11708	8.9
131.08545	2.5
133.10141	54.0
134.10448	2.7
151.02997	1.7
151.07573	5.6
151.11185	100.0
152.07095	2.9
152.11548	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	151.1118
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
50.71846	1.5
53.03947	2.3
55.01867	4.9
55.05515	10.8
57.03413	2.9
57.07078	1.9
58.51662	1.5
65.03938	2.4
67.05508	48.8
69.03436	11.2
69.07066	5.5
71.04987	3.6
79.05497	31.8
79.31300	1.7
81.03400	2.4
81.07063	53.2
83.04992	18.3
83.89098	1.5
85.06568	2.2
91.05490	49.7
92.05807	3.2
93.07053	28.8
95.04986	20.5
95.08614	11.1
105.07036	54.9
106.06618	2.5
106.07369	4.2
107.08599	57.7
109.06528	19.8
109.10160	30.6
110.06043	2.9
110.10513	2.1
118.29417	1.4
123.08091	8.7
123.11691	8.3
124.07578	1.5
131.08598	2.1
131.43204	1.6
133.10139	56.5
134.10481	2.3
151.02995	2.8
151.07538	4.2
151.08667	4.7
151.11189	100.0
152.07097	4.8
152.11522	6.3
164.57545	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0568
Annotation	guanine
Peak:m/z	Relative Intensity
53.03952	2.0
55.01868	2.0
55.03002	0.6
55.05525	2.0
56.96568	29.8
57.03439	4.6
58.99860	0.6
59.05001	0.5
61.02934	1.6
65.03943	0.8
67.05508	5.0
68.05820	0.3
69.03431	9.6
69.07069	0.3
69.51180	0.3
70.03757	0.9
70.21616	0.7
71.01350	0.7
71.05000	1.6
71.95265	1.2
72.96009	0.3
73.02920	3.1
74.97602	0.7
75.04488	1.6
76.09475	0.3
77.00863	0.5
79.00676	0.3
79.05494	2.0
80.02509	0.3
80.02980	0.3
80.05027	1.3
81.03420	6.3
81.07058	0.6
82.04095	0.5
82.06567	0.6
82.99876	0.5
83.01318	0.7
83.04979	3.3
83.22642	0.3
84.05260	0.3
84.96023	2.3
85.01404	0.8
85.02908	6.8
85.06544	0.8
85.93069	0.3
87.04481	0.5
88.02678	1.5
89.02554	0.6
89.03444	1.5
94.02655	0.8
94.06570	0.4
95.03465	0.9
95.04965	0.9
96.02432	0.3
96.04513	0.6
96.08136	1.2
97.01416	0.6
97.02895	14.1
97.06554	0.8
98.01313	0.6
98.03196	2.0
98.03951	0.5
98.97586	8.6
99.01144	0.5
99.03786	0.6
99.04469	1.2
100.02585	0.6
100.03569	0.3
101.00877	2.9
101.02456	0.5
101.03467	2.0
102.00982	0.4
102.02464	0.4
103.00644	0.5
103.02449	1.9
103.03111	0.5
105.02149	0.3
106.06556	1.2
107.01874	0.4
107.02554	0.4
107.03497	1.5
107.04968	0.6
107.07335	0.8
108.03506	0.4
108.04287	0.8
108.08138	0.6
109.02866	2.5
109.05133	2.3
109.53218	0.3
110.03526	13.1
110.06042	0.7
110.97577	3.3
111.02940	1.0
111.04514	0.4
113.00891	1.0
115.02443	6.2
115.03214	0.7
116.02529	1.2
116.03945	0.3
116.98612	3.2
117.02184	1.7
117.02885	0.4
119.01917	4.2
119.53418	0.4
120.02045	0.9
121.01708	1.5
121.03438	0.6
124.03918	0.3
124.07599	3.3
124.99122	0.4
127.00695	0.8
127.02404	0.5
127.03935	0.9
128.02426	0.6
128.04565	5.5
128.98610	4.5
129.02246	1.0
129.03978	3.1
130.03775	0.3
131.01926	2.7
131.03522	0.3
132.02040	0.8
133.01709	1.1
133.03470	15.5
134.03603	1.8
134.04649	1.2
134.06013	0.9
134.99690	0.7
135.03040	21.9
136.01421	0.8
136.03458	0.9
136.04567	0.3
137.02959	0.9
139.00572	0.4
139.02534	0.4
139.04224	1.2
139.54338	0.3
141.02205	0.5
141.03979	2.0
143.00151	1.0
143.01895	1.1
143.49397	0.3
145.01746	0.7
145.03493	3.2
146.03583	2.7
146.99655	2.4
147.01424	0.8
147.03221	4.2
147.04990	2.5
149.02946	0.6
151.02658	0.3
151.04518	2.6
152.05690	100.0
152.06992	7.0
152.10600	1.4
153.04089	35.7
153.05968	1.5
154.02515	0.6
154.04425	0.8
155.01952	0.4
157.01765	1.0
157.03479	2.6
158.03683	0.8
158.99657	1.8
159.03310	3.1
159.05049	8.3
160.05212	1.2
161.01244	0.9
161.02980	1.0
161.04712	1.7
161.06650	0.3
163.02721	0.4
163.04619	0.4
164.04657	0.6
165.04237	0.5
169.03448	0.7
170.01315	0.3
170.03709	0.4
170.99683	0.8
171.05061	0.5
173.03023	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0706
Annotation	Acetaminophen
Peak:m/z	Relative Intensity
65.03941	2.9
67.05495	0.2
70.45884	0.3
70.46223	0.2
79.05495	0.6
81.07037	0.3
82.06573	0.5
83.10004	0.1
85.89919	0.1
92.05009	6.7
93.03415	3.5
93.05325	0.2
94.03750	0.2
95.04983	0.4
96.08127	0.3
106.06545	0.2
107.08593	0.3
110.06046	100.0
111.04441	2.5
111.05676	0.3
111.06374	3.0
124.07569	0.4
134.06035	0.6
135.08110	0.2
152.07059	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	152.0707
Annotation	2-Descarboxy-cyclo-dopa
Peak:m/z	Relative Intensity
53.03946	4.2
55.01871	2.0
55.05518	4.9
56.05044	0.9
57.03444	1.0
57.07059	1.2
59.04997	1.4
65.03948	0.8
67.05511	5.3
68.05029	2.9
69.03427	2.4
69.07072	5.0
71.04983	3.0
71.29810	0.6
73.06562	1.5
79.04259	1.1
79.05497	15.7
80.05019	94.1
81.03414	1.5
81.05354	1.9
81.05801	2.7
81.07056	12.8
82.06583	9.1
82.07375	0.9
83.04978	4.9
83.08616	1.2
84.35610	0.5
91.05489	2.9
92.05013	1.0
92.05849	0.7
93.05796	0.7
93.07047	14.9
93.66347	0.5
94.06573	7.3
95.04970	2.3
95.07363	0.9
95.08608	11.0
96.04493	3.4
96.08133	24.2
97.06533	11.5
97.08426	0.8
97.88187	0.6
98.06072	1.0
99.71347	0.5
105.04551	0.6
105.07039	1.2
106.06561	35.5
107.04958	2.3
107.07363	25.3
107.08579	21.8
109.05263	9.0
109.06461	0.9
109.10167	7.1
110.06055	1.6
111.08095	3.1
123.06847	0.9
124.07595	100.0
124.11201	2.6
125.07919	3.2
134.06010	1.5
135.08049	0.9
135.11693	9.9
136.01099	0.6
143.36470	0.6
152.07071	85.0
152.10580	1.4
153.05577	0.9
153.07501	3.5
153.09085	0.5
153.12750	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	152.0707
Annotation	2-Descarboxy-cyclo-dopa
Peak:m/z	Relative Intensity
53.03951	4.0
55.05526	1.1
67.05514	1.0
68.05025	2.4
69.07080	1.3
70.54444	1.4
73.31700	0.6
79.04211	1.2
79.05495	8.6
80.05020	47.8
81.03414	1.6
81.05354	0.8
81.05798	1.8
81.07043	1.3
82.06586	8.6
83.04982	1.2
85.35604	0.6
92.04981	0.6
93.05795	0.6
94.06572	6.5
95.04965	0.9
96.04496	1.6
96.08130	24.0
97.06523	5.4
106.06554	10.1
107.04967	2.4
107.07341	26.9
109.05260	9.8
124.07594	100.0
124.18944	0.7
125.07909	3.0
152.07066	85.8
153.07422	3.0
166.93501	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0706
Annotation	Acetaminophen
Peak:m/z	Relative Intensity
57.82717	0.3
63.02388	0.3
65.03928	2.2
69.38608	0.3
70.25655	0.3
70.43655	0.8
78.50770	0.3
81.07076	0.5
82.06590	0.4
83.04973	0.3
91.05532	0.3
92.05000	6.7
93.03420	2.8
98.10018	0.3
110.06042	100.0
111.04430	1.9
111.06383	2.4
118.43738	0.3
124.07597	0.7
134.06001	0.6
134.51726	0.3
135.04390	0.7
152.07057	2.4
152.10675	0.4
172.27992	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0707
Annotation	2-Descarboxy-cyclo-dopa
Peak:m/z	Relative Intensity
51.09245	0.5
53.03940	2.0
55.01894	0.7
56.05050	2.6
65.71006	0.5
67.05507	2.0
68.05029	8.0
68.36089	0.6
69.03431	15.3
69.07080	0.8
70.06584	1.5
70.80226	1.1
73.02904	0.7
73.69035	0.5
75.62498	0.5
79.05493	6.3
80.05020	10.7
81.05809	1.3
81.07066	4.6
82.06580	2.3
84.04495	4.2
91.05447	0.6
94.06573	3.3
96.04495	17.1
96.08131	32.2
97.06516	0.6
97.08464	0.7
98.06061	6.9
101.88802	0.6
106.06559	4.3
107.05013	0.6
107.07333	5.2
109.05279	1.4
110.06052	1.0
124.03971	2.3
124.07593	89.3
125.07948	3.0
127.27914	0.5
152.07071	100.0
153.07419	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	152.0707
Annotation	2-Descarboxy-cyclo-dopa
Peak:m/z	Relative Intensity
50.19631	0.5
53.03946	4.3
55.05511	0.8
67.05494	1.6
68.05032	2.0
69.03410	1.7
69.07068	1.1
69.43618	3.4
74.31068	0.6
79.04250	1.0
79.05498	8.0
80.05017	45.0
81.03427	0.9
81.05350	1.1
81.05803	1.7
81.07058	1.7
82.06580	8.1
82.31192	0.6
83.04984	1.0
92.04990	0.6
94.06568	7.2
95.04971	1.5
96.04497	2.4
96.08132	26.3
97.06534	4.0
98.06055	0.6
106.06550	11.7
107.04978	2.7
107.07340	24.0
107.08035	1.2
107.08524	1.0
108.07607	0.6
109.05254	8.8
123.06806	1.8
124.07593	100.0
125.07963	4.1
134.06007	0.8
135.04453	0.7
152.07068	85.5
153.05457	0.7
153.07420	2.4
156.91687	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.091
Annotation	2,6,6-Trimethyl-2-cyclohexene-1,4-dione
Peak:m/z	Relative Intensity
53.03931	1.3
55.01865	0.9
55.05514	5.4
57.03421	1.3
62.57743	0.5
65.03943	2.7
66.29913	0.6
67.05505	5.5
68.05018	0.8
69.03423	4.3
69.04043	0.6
69.07066	3.8
70.94260	1.1
71.04978	1.2
71.28420	0.6
71.28808	0.7
79.05495	20.9
81.07066	5.6
83.04994	5.2
83.08620	1.4
84.90032	0.7
91.05489	21.6
92.05786	1.0
93.07047	10.7
95.04976	4.0
95.08609	5.9
96.08173	0.6
97.06535	4.3
97.08526	0.6
102.61160	0.6
105.07022	8.8
107.04932	1.1
107.08597	36.9
108.08916	2.6
109.06530	4.2
109.10158	3.6
111.04460	1.3
111.08089	5.1
115.05452	1.1
117.07005	1.4
119.06062	2.5
123.04456	1.7
125.07923	1.9
125.09631	3.4
126.05528	1.0
130.96306	0.9
135.08055	100.0
135.11656	5.2
136.07594	1.0
136.08412	4.8
138.06775	19.4
153.07204	2.1
153.09111	40.2
153.12709	4.5
154.04985	0.7
154.09514	2.1
160.08676	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	cis-2,8-Menthadien-1-ol
Peak:m/z	Relative Intensity
53.03931	2.4
53.93191	1.0
54.04647	0.9
55.01870	1.8
55.05507	13.0
56.73371	1.0
57.03428	4.4
57.07062	3.3
59.04996	1.2
65.03928	3.1
65.75460	0.9
67.05505	35.1
69.03416	2.0
69.07069	53.3
70.67254	2.5
70.95845	1.4
71.04971	3.0
71.95277	9.9
79.05494	27.6
79.99775	1.1
81.07055	43.1
83.04975	6.6
83.08612	5.7
85.06536	2.0
91.05482	6.8
93.07043	56.2
94.07369	2.8
95.04976	2.7
95.08604	23.4
97.06531	21.9
98.06880	1.2
99.02148	1.0
105.04548	1.1
105.07037	2.2
107.08598	51.0
108.08944	2.9
109.06530	1.3
109.10152	37.1
110.10488	1.3
111.08080	7.2
117.17968	0.9
119.06142	0.9
122.02351	1.4
125.05997	2.2
126.06354	1.8
135.11693	100.0
136.12030	5.6
138.03123	1.1
139.05420	1.2
148.97346	1.2
152.25336	1.0
153.05553	4.7
153.07379	3.3
153.12740	85.9
154.04994	3.5
154.08707	1.2
154.13145	5.0
154.15877	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	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03950	4.2
55.01870	3.8
55.05510	30.1
55.16142	2.5
56.76513	2.7
57.03432	3.4
59.05007	8.7
67.05512	8.6
68.99791	10.1
69.03433	5.8
69.07074	18.8
69.25472	10.5
69.25875	5.2
70.88551	2.1
71.04192	2.1
71.04993	31.7
71.95299	2.6
73.06570	15.9
76.30266	2.5
79.05490	28.4
81.07058	100.0
83.04977	36.0
86.09708	5.0
88.78844	2.5
91.05469	11.3
93.07041	40.9
95.04964	5.0
95.08608	10.6
97.06516	17.5
101.25249	2.5
107.08599	37.7
109.06490	3.6
109.10168	7.8
111.08090	10.2
114.06087	2.1
117.39978	2.5
124.20814	2.4
125.09676	2.8
135.11699	21.8
148.97388	3.7
153.01976	3.5
153.05521	5.1
153.07210	2.7
153.09129	7.5
153.12782	13.6
154.04918	2.6
154.08536	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03936	5.3
55.01879	2.2
55.05516	18.8
57.03439	3.8
57.07084	2.2
59.05001	7.5
65.03941	2.9
67.05511	8.8
69.03406	2.6
69.07072	17.0
69.11449	3.0
69.11858	10.0
71.04993	31.1
72.68533	1.3
73.06558	21.0
73.63781	1.5
79.05492	28.4
81.07056	100.0
82.07392	3.0
83.04986	6.0
83.08631	2.7
91.05484	9.8
93.07046	44.8
95.04981	5.0
95.08604	9.8
97.06538	14.5
105.07053	3.2
107.08598	42.5
109.10140	10.3
111.08081	11.1
115.35371	1.4
119.08546	1.6
125.06011	2.3
125.09683	1.9
132.16751	1.5
135.08069	3.4
135.11700	20.9
136.07620	3.1
153.09079	1.9
153.12735	14.8
154.08612	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	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.50143	3.3
53.03948	3.7
55.05508	19.0
57.07073	4.4
57.85307	3.0
59.04996	10.1
67.05495	13.5
69.03439	4.2
69.07053	14.3
69.33596	6.2
69.34003	16.3
71.04993	34.3
73.06564	19.5
79.05503	30.6
81.07058	100.0
83.04986	10.0
86.41054	3.6
91.05481	10.6
93.07055	40.0
95.04927	4.3
95.08607	13.0
97.05988	3.3
97.06543	14.4
105.06999	4.5
107.08595	38.2
109.06464	3.9
109.10146	9.1
111.04433	3.5
111.08076	8.4
135.08044	8.3
135.11694	22.4
153.12794	10.5
154.12273	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	153.1275
Annotation	(+)-Carvotanacetone
Peak:m/z	Relative Intensity
53.03944	2.3
55.01880	27.1
55.05516	19.2
57.03432	3.1
57.07069	3.8
59.05005	2.1
65.03944	1.5
67.05510	14.3
68.99800	28.0
69.03433	3.1
69.06733	1.1
69.07075	12.9
69.08888	3.6
69.09312	4.1
70.95863	1.6
71.05004	7.4
71.95268	2.4
72.96169	0.8
73.06559	1.4
79.05066	1.5
79.05499	18.1
81.07067	21.5
82.07393	1.4
83.04989	100.0
83.08631	9.0
84.05309	2.1
85.06550	2.5
85.10172	3.5
89.77302	0.8
91.05495	5.5
93.07048	20.2
95.04975	1.7
95.08614	8.8
97.06541	34.2
98.06837	1.1
98.22646	2.0
105.04565	1.1
105.07026	1.2
107.04934	1.6
107.08597	18.1
109.06528	1.0
109.10159	6.0
111.04449	1.8
111.08105	8.1
125.09637	6.1
126.05457	1.0
128.02992	0.8
130.96321	1.5
135.08128	1.1
135.11710	6.6
148.97383	1.6
153.01836	1.9
153.07068	1.1
153.09164	7.0
153.12750	46.9
154.04980	1.9
154.08690	1.1
154.13127	2.8
157.91217	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03933	6.0
55.05517	13.1
57.03433	2.3
59.04995	8.9
67.05503	5.8
69.07056	8.6
69.22983	16.1
69.82301	2.4
71.04989	34.5
73.06551	16.9
79.05492	35.1
81.06586	5.1
81.07057	100.0
82.07392	2.9
83.04958	4.0
91.05461	12.7
93.07042	42.7
95.08588	9.9
97.06522	10.4
98.23414	5.1
105.07020	4.2
107.08602	41.7
109.10168	8.5
111.08081	7.1
127.39082	2.2
135.08060	15.1
135.11690	23.1
153.09164	5.3
153.12762	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00301	2.8
53.03941	8.6
55.01878	3.3
55.05521	23.2
57.03427	3.7
57.07099	3.1
57.24177	3.3
59.05001	8.1
67.05501	10.2
69.03438	5.6
69.07076	9.7
69.12992	16.0
69.13404	6.5
71.04996	31.9
73.06558	19.7
79.05490	36.2
79.21304	2.6
81.07062	100.0
82.07356	3.2
83.04993	9.5
91.05490	21.8
93.07050	69.0
94.07372	2.7
95.04962	18.3
95.08628	8.6
97.06516	8.0
97.89372	2.5
105.07031	5.7
107.04964	3.9
107.08599	53.6
109.06564	4.2
109.10168	8.9
111.04462	4.0
111.08106	13.3
119.06050	3.3
130.96289	2.5
135.08060	18.3
135.11700	21.6
153.05527	4.1
153.09103	9.5
153.12766	11.4
154.08629	15.0
173.54742	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00302	3.1
53.03936	3.1
55.05516	14.9
57.07073	2.1
59.05005	7.6
67.05514	8.5
69.07077	9.9
69.12396	8.6
69.12814	5.2
71.04998	34.7
73.06560	19.1
79.05493	28.7
81.07059	100.0
82.07374	2.2
83.04997	4.6
84.30403	1.7
86.15044	1.6
91.05469	11.9
93.07050	40.8
95.04979	17.0
95.08598	6.9
97.06523	8.7
97.07070	1.7
105.07049	2.0
107.08597	34.9
108.08911	2.1
109.06535	3.0
109.10168	8.6
111.08115	9.7
120.43832	1.5
125.09588	2.1
135.11710	18.8
136.12021	2.0
153.12709	9.2
158.94589	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.43596	1.1
53.03951	6.5
55.01884	7.6
55.05512	35.7
55.05767	2.6
57.03437	4.5
57.07082	2.5
59.05011	8.4
60.03343	1.3
63.81081	1.2
65.03951	5.3
67.05505	17.8
68.05029	1.6
68.96319	1.6
69.03436	11.9
69.07073	21.3
70.94255	1.9
71.04995	29.2
73.06560	16.0
74.06854	1.2
79.05497	41.2
79.05977	2.4
80.05815	1.8
81.03433	1.7
81.07059	100.0
82.07391	3.4
83.04984	33.3
83.08614	6.8
87.04469	1.4
91.05476	18.1
93.07047	50.5
93.07636	2.6
95.04969	25.3
95.08604	19.5
97.06528	22.4
105.04536	1.6
105.07021	10.5
107.04991	6.5
107.08593	58.6
108.05733	5.8
108.08159	1.9
108.08906	1.7
109.06535	4.3
109.10150	13.3
110.06926	1.2
111.04446	4.6
111.08084	19.4
112.08446	1.8
112.12041	1.3
117.07047	1.4
119.06069	1.5
119.08585	3.3
123.07178	2.7
123.08070	48.9
124.08379	2.2
125.06024	4.5
125.09631	6.4
126.05502	1.8
130.96304	1.3
133.07648	3.0
134.24811	1.2
135.04469	1.6
135.08083	9.7
135.11694	23.1
136.07588	11.2
139.65919	1.3
148.97353	2.5
153.05458	7.2
153.07196	2.6
153.09108	6.2
153.12749	21.0
153.13904	2.3
154.04951	2.4
154.08708	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	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03945	5.0
55.01864	3.1
55.05510	14.2
57.07084	2.3
59.04999	8.6
65.03937	2.5
67.05495	10.5
69.03429	3.4
69.07072	11.9
69.09402	16.2
71.04993	38.3
73.06552	21.4
73.90083	1.7
79.05496	33.9
81.07056	100.0
82.07388	3.5
83.04984	6.5
83.08624	3.5
91.05486	12.0
93.07038	46.7
94.07412	2.0
95.04973	5.9
95.08620	11.0
97.06516	14.8
98.16737	1.8
105.07013	4.2
107.08598	45.7
109.06506	3.1
109.10181	11.8
111.08095	7.8
125.09602	3.1
130.96361	2.3
135.11702	27.2
136.12057	2.0
149.75882	1.8
153.00235	2.0
153.05368	2.1
153.12759	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03944	3.3
55.01867	2.0
55.05510	12.2
57.03182	1.1
57.03439	6.0
57.07074	2.4
59.04996	4.7
59.05264	0.9
62.94236	1.1
65.03915	2.2
67.05503	20.8
67.76655	1.0
68.05849	1.5
69.03416	5.2
69.07066	17.0
71.04998	5.2
71.28984	1.5
79.05067	1.9
79.05492	21.7
80.05013	4.1
80.05817	1.6
81.05361	5.5
81.07055	21.5
83.04987	18.8
83.08619	4.9
84.05293	1.1
88.61816	1.1
91.05470	15.9
93.07044	75.9
94.07364	2.5
95.04958	6.0
95.08612	53.7
96.08927	1.5
97.02898	1.3
97.06531	38.7
97.08473	1.9
105.04556	1.6
105.07052	5.2
107.04956	2.2
107.08595	100.0
108.08924	4.5
109.06525	2.9
109.10156	33.7
110.10464	1.6
111.04423	1.7
111.08083	7.2
125.07916	6.9
125.09641	1.9
130.96222	1.3
135.08057	21.9
135.11693	50.6
136.07506	1.6
136.11964	2.2
138.06740	2.7
150.21161	0.9
153.07520	5.9
153.09108	8.3
153.12747	33.3
154.08641	3.8
154.13054	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03942	6.6
55.05514	22.9
56.09917	1.8
57.03431	4.1
57.07073	8.7
59.04999	12.1
65.03935	3.5
67.05504	11.6
69.03425	5.3
69.07072	22.6
71.04996	36.8
73.06554	21.5
73.96966	1.9
79.05492	39.7
81.07057	100.0
82.07375	3.9
83.04984	8.5
83.08601	3.8
91.05482	17.2
93.07046	50.3
94.56230	1.9
95.04980	5.4
95.08607	13.6
97.06526	28.4
98.23395	3.0
105.07021	5.3
107.04909	2.3
107.07867	2.7
107.08598	52.3
109.06559	3.6
109.10166	16.6
111.08097	15.3
125.09667	5.1
135.08070	6.7
135.11710	32.2
148.30920	1.7
148.97313	2.2
153.05521	3.6
153.07086	2.9
153.09172	5.3
153.12743	23.7
153.13893	2.9
154.08635	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.98111	1.0
53.03948	5.0
55.05508	18.5
57.03437	2.7
57.07075	5.9
59.05000	10.1
60.03113	1.0
60.82351	1.0
65.03944	2.1
67.05505	11.0
69.03433	1.7
69.07069	16.7
69.11880	5.4
69.12303	4.0
71.04993	32.6
72.05329	1.3
73.06552	20.2
79.05495	29.4
81.07055	100.0
82.07384	2.4
83.04973	7.2
83.08630	2.4
85.06556	1.8
91.05482	11.5
93.07040	41.3
94.07356	2.1
95.04948	5.7
95.08612	16.7
97.06529	20.8
98.23370	2.2
100.62622	1.0
104.79652	1.1
105.07043	3.3
107.04939	1.4
107.08595	46.2
108.08933	2.2
109.06555	2.3
109.10143	15.3
111.08084	13.0
113.09071	1.0
119.08599	1.7
125.09613	1.2
126.05535	1.5
135.08058	1.2
135.11687	29.5
136.12044	2.2
148.97360	1.6
153.07318	1.2
153.09178	2.4
153.12741	23.2
164.27563	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00303	1.5
53.00532	1.1
53.03951	4.1
55.01863	1.6
55.05508	15.5
57.03481	1.2
57.07067	1.9
59.05001	7.8
65.03956	1.4
67.05505	6.8
69.01065	9.4
69.03419	1.5
69.07062	10.7
71.04991	29.9
73.06558	20.0
79.05494	28.9
81.07053	100.0
82.07401	1.8
83.04987	4.8
83.08618	1.8
85.06544	2.2
91.05481	8.5
93.07041	41.9
94.07362	1.7
95.04980	3.0
95.08600	8.3
97.06525	9.2
99.23371	1.3
105.07042	4.0
107.07865	2.5
107.08590	34.0
107.09294	2.3
109.06498	1.8
109.10146	5.9
111.08080	6.5
119.08618	1.3
135.11682	18.8
153.12724	11.4
153.53004	1.0
154.06197	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
55.05522	16.4
59.04999	8.4
67.05492	9.5
69.07059	9.5
69.43335	11.2
71.04987	29.8
73.06559	24.8
75.77982	2.1
79.05493	30.0
81.07056	100.0
82.07387	3.4
83.04961	7.3
91.05465	10.3
93.07045	38.3
95.08607	7.9
97.06528	7.2
105.07029	3.8
107.08589	37.3
109.10163	9.2
111.08077	3.5
119.08572	2.7
135.11684	22.3
153.12740	10.7
154.70940	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	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03939	3.0
53.98761	1.0
55.01880	2.5
55.05511	8.9
57.03429	2.9
57.07079	2.3
59.04996	2.4
65.03947	2.4
67.05507	15.9
69.02099	6.5
69.03432	3.2
69.07071	12.1
71.04998	3.5
73.06544	1.1
75.18806	0.8
79.05495	15.7
81.07050	16.9
83.04980	11.3
83.08620	3.2
84.04474	0.8
91.05481	11.0
93.07040	67.3
94.07372	2.2
95.04967	16.3
95.08604	54.9
96.08943	1.7
97.06530	14.6
105.07034	4.0
107.08595	100.0
108.08934	4.1
109.06535	4.3
109.10153	18.4
110.10418	0.9
110.51572	0.9
111.04436	1.4
111.08077	10.5
118.96674	0.9
119.06108	1.4
125.07893	1.7
125.09641	4.7
126.05481	1.2
130.96318	1.0
135.08072	3.4
135.10658	1.8
135.11691	36.9
136.07558	1.2
136.12039	2.0
140.51704	0.9
153.05521	1.0
153.07135	1.7
153.09161	2.8
153.12730	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.143
Annotation	(+)-2,6-Dimethyloct-7-en-4-one
Peak:m/z	Relative Intensity
51.53437	0.3
53.00354	0.4
55.05504	1.3
57.03436	0.9
57.07073	100.0
58.07405	2.5
67.05511	1.8
69.07070	0.9
70.26241	0.9
70.95871	1.1
71.04980	0.9
72.93792	1.3
79.05502	0.4
81.07052	4.4
83.04971	0.8
83.88261	0.4
85.06541	10.8
95.08594	2.7
109.10170	0.9
110.06061	0.9
110.07155	0.5
111.04481	0.8
132.95871	1.7
138.05501	0.6
141.07011	0.8
150.96950	1.7
155.07037	1.2
155.08430	0.4
155.14296	4.8
156.09375	0.5
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	4,6-Dimethyl-4-octen-3-one
Peak:m/z	Relative Intensity
54.74823	0.5
55.01868	0.5
55.05516	2.5
57.03444	1.6
57.07076	100.0
58.07418	2.1
60.53135	0.4
62.95475	0.4
67.05501	1.9
68.69482	0.4
69.03439	0.6
69.07069	4.5
69.96194	0.4
70.19316	1.0
70.19654	0.5
70.95872	3.9
71.04977	0.7
71.08638	6.5
72.93780	5.1
81.07056	2.6
83.04551	0.4
83.04967	2.3
83.08625	0.5
85.06547	10.4
88.96941	0.5
90.94838	1.0
94.13873	0.4
95.08620	2.9
97.10197	0.5
98.98485	1.5
99.04465	1.0
99.08088	2.6
109.10204	0.7
110.06063	0.9
111.04476	1.7
111.98508	0.9
113.06054	1.2
113.96443	1.3
117.27090	0.5
127.07573	0.6
128.00438	0.4
131.97453	0.5
132.95830	5.6
138.05521	0.9
141.06958	0.7
149.97221	0.5
150.96896	7.2
150.98042	0.6
155.07191	2.4
155.08406	2.3
155.14305	8.4
156.08186	0.5
156.14635	0.5
173.98521	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0422
Annotation	N-Methylethanolamine phosphate
Peak:m/z	Relative Intensity
55.33187	1.2
56.80838	1.1
56.96551	2.2
59.17212	1.4
69.34008	1.3
69.91743	1.2
70.14795	4.0
70.45635	1.3
74.09727	21.7
82.03074	1.3
83.06075	1.5
96.96922	4.5
110.07178	11.6
112.05258	5.5
113.07059	1.4
119.01881	1.5
130.06310	26.7
132.02014	4.3
133.01659	2.1
156.04225	100.0
157.04556	2.0
157.09692	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	158.0126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98645	0.3
55.95788	0.2
56.96566	13.0
57.92694	0.2
58.95419	0.3
62.40696	0.2
69.97323	0.7
71.95267	3.8
74.82379	0.2
87.32761	0.2
97.99178	0.8
98.97585	100.0
99.97948	1.3
100.02476	0.4
101.00879	0.3
108.67010	0.2
116.00218	0.6
116.98623	52.6
117.99054	1.4
118.03521	0.4
119.01928	0.5
121.01690	0.2
123.73582	0.2
134.02939	0.4
134.04808	0.3
134.99658	16.2
135.03114	0.3
136.00104	1.2
140.00218	1.1
149.03629	0.3
153.00751	1.4
154.01169	0.6
157.43774	0.2
157.97516	0.3
158.01251	0.7
175.98666	0.3
176.02309	0.3
176.05904	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.2
54.98643	0.5
55.01872	1.0
55.05512	0.7
56.96568	29.8
57.03438	2.2
57.07077	0.3
57.93563	0.6
58.06601	1.0
61.02928	1.5
67.05503	0.3
69.03434	9.6
69.07085	0.3
70.03783	0.3
70.06597	1.7
70.74503	0.4
71.01363	1.9
71.05006	1.5
71.94642	0.2
71.95266	4.6
72.96049	0.2
73.02917	2.3
75.94598	0.2
77.00878	0.2
79.05502	0.2
81.01051	0.7
81.03423	6.6
83.00791	0.4
83.01347	0.4
83.04980	0.5
84.01522	0.2
84.96037	1.6
85.02914	6.8
85.06555	0.9
87.01025	0.6
87.04462	1.0
90.01558	0.8
94.02711	0.2
95.00739	0.2
96.01549	2.4
96.02425	0.2
96.04490	0.4
97.01424	0.4
97.02897	8.1
97.99172	0.6
98.06040	0.4
98.97588	100.0
99.04451	1.3
99.97919	0.8
101.00874	2.3
102.00949	0.3
102.09182	0.3
104.01304	0.6
105.02071	0.8
108.01502	0.5
108.47234	0.2
109.02251	0.4
109.02362	0.3
109.02908	1.5
110.97569	1.7
112.07619	0.3
112.08715	0.4
112.99140	0.9
113.00843	0.4
113.02372	0.2
113.06004	0.6
115.02438	1.5
116.00235	0.7
116.07094	0.4
116.97247	1.9
116.98624	53.5
117.02097	0.8
117.04002	0.3
117.98968	0.5
119.01893	4.1
120.02067	0.3
121.01655	0.6
122.01286	0.4
122.06042	0.4
123.02065	0.8
124.99126	4.8
127.00701	0.3
127.02427	0.6
127.03880	1.3
128.02290	0.6
128.98625	1.6
131.00180	0.9
131.01886	1.6
131.04939	1.2
133.01672	0.3
133.03467	0.8
134.99661	16.5
135.03215	0.6
135.98618	0.2
136.00087	0.2
136.99086	0.3
137.02782	0.3
140.00204	1.0
140.07045	0.6
140.98595	2.1
143.00168	13.7
143.01820	2.8
144.02519	0.3
144.98076	0.4
145.01654	0.5
145.03258	1.1
145.04330	0.5
146.99628	0.7
147.03081	0.3
149.01212	0.3
149.02951	0.4
152.96971	0.6
152.98605	0.9
153.00697	1.5
153.03094	1.4
155.00182	0.6
155.01935	0.5
158.01251	0.7
158.09459	0.7
158.15434	1.5
158.99644	2.8
159.02997	0.4
159.05142	0.3
161.01216	8.0
161.02934	2.5
162.03438	0.5
170.99657	2.2
173.01221	1.5
173.02956	1.0
177.00743	1.5
179.02217	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.9966
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60207	0.8
56.96566	30.8
57.03440	0.8
57.07067	0.9
57.93564	3.6
59.93110	11.6
69.03446	1.2
70.12591	3.0
71.95267	12.0
72.93809	0.8
73.95686	2.7
75.93626	1.1
75.94608	1.4
76.93383	2.3
77.94144	4.6
84.96041	0.8
91.59418	0.7
93.95676	1.6
95.95199	3.1
98.97585	100.0
99.97921	6.1
100.02473	2.7
100.95763	1.1
101.00890	11.4
116.19937	0.7
116.97249	4.6
116.98623	99.7
117.95987	2.1
117.97601	4.1
117.98962	6.4
118.03521	8.1
118.96767	38.4
119.01919	39.0
124.02483	2.1
131.04930	1.1
131.08569	1.7
133.99121	2.6
134.99661	83.8
135.97052	1.1
136.00046	5.8
136.04565	7.9
136.95421	2.3
137.02946	14.2
140.00235	1.9
142.03505	30.3
150.95726	6.4
152.96922	1.6
153.00706	14.4
153.96622	4.4
154.01151	2.3
154.96460	16.1
158.01291	2.2
159.09172	2.4
159.11775	1.8
160.04572	33.4
160.05917	1.8
165.05118	1.2
172.97531	3.3
177.98024	1.7
178.05598	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	158.9966
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60207	0.8
56.96566	30.8
57.03440	0.8
57.07067	0.9
57.93564	3.6
59.93110	11.6
69.03446	1.2
70.12591	3.0
71.95267	12.0
72.93809	0.8
73.95686	2.7
75.93626	1.1
75.94608	1.4
76.93383	2.3
77.94144	4.6
84.96041	0.8
91.59418	0.7
93.95676	1.6
95.95199	3.1
98.97585	100.0
99.97921	6.1
100.02473	2.7
100.95763	1.1
101.00890	11.4
116.19937	0.7
116.97249	4.6
116.98623	99.7
117.95987	2.1
117.97601	4.1
117.98962	6.4
118.03521	8.1
118.96767	38.4
119.01919	39.0
124.02483	2.1
131.04930	1.1
131.08569	1.7
133.99121	2.6
134.99661	83.8
135.97052	1.1
136.00046	5.8
136.04565	7.9
136.95421	2.3
137.02946	14.2
140.00235	1.9
142.03505	30.3
150.95726	6.4
152.96922	1.6
153.00706	14.4
153.96622	4.4
154.01151	2.3
154.96460	16.1
158.01291	2.2
159.09172	2.4
159.11775	1.8
160.04572	33.4
160.05917	1.8
165.05118	1.2
172.97531	3.3
177.98024	1.7
178.05598	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	159.0918
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
53.03959	0.7
55.05519	0.6
56.96568	21.2
57.03428	0.9
57.93576	0.6
59.93109	4.1
62.29668	0.6
64.58981	0.7
67.05505	1.1
69.03436	1.0
69.07072	0.9
70.06590	0.6
70.07405	1.1
70.17230	1.8
71.05003	2.2
71.95268	6.6
72.08137	0.6
73.95667	0.7
76.93355	0.8
77.94166	1.2
81.03409	0.6
85.08500	0.6
87.04459	0.5
88.04736	0.6
91.05485	1.8
93.05795	0.8
95.04984	0.9
95.95201	1.0
98.97588	65.7
99.04457	1.0
99.08065	0.6
99.97920	4.9
100.97191	0.7
101.00883	0.7
103.05478	2.5
105.07030	3.2
113.07942	1.4
115.05459	18.2
116.05005	0.7
116.98624	67.1
117.05762	17.7
117.07043	1.4
117.97599	0.8
117.98960	3.2
118.06596	5.6
118.96767	11.6
118.98172	0.8
119.01917	4.0
129.06979	1.3
130.06535	31.1
131.04929	4.2
131.06839	5.1
131.08568	2.5
132.08095	100.0
133.08423	4.3
134.99661	46.1
136.00020	3.3
137.02953	1.1
140.00188	0.9
140.04976	1.0
142.03488	2.4
142.06522	26.6
143.07054	1.0
144.05684	1.4
144.06815	0.8
144.09349	1.6
150.95717	2.4
153.00719	8.8
153.96724	1.2
154.96503	3.9
158.01244	2.1
158.08363	1.9
159.04427	1.7
159.09183	82.8
159.11725	3.5
159.15778	1.0
160.04579	4.2
160.07581	20.3
160.09569	3.3
172.97531	0.8
178.05481	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
56.96553	1.8
59.93122	2.2
67.05510	4.8
71.30524	1.6
76.92861	3.7
79.05497	5.6
81.07047	5.5
91.04969	1.6
91.05489	20.5
93.07037	3.0
98.97572	3.0
100.06382	0.9
103.09513	1.0
105.06384	1.4
105.07034	17.1
114.06627	1.1
115.05461	6.1
116.06220	3.3
116.98593	3.0
117.07014	48.6
118.07309	1.7
118.96754	3.8
119.01827	1.1
119.08581	4.5
129.06264	1.0
129.07010	10.8
130.07777	7.6
131.08565	68.5
132.08044	1.6
132.08926	2.9
134.99651	1.7
142.07811	1.5
144.05765	1.4
144.08243	1.6
144.09344	12.8
154.96487	1.6
157.10088	2.7
159.08052	8.8
159.09178	5.1
159.11688	100.0
159.15691	2.2
160.06111	1.0
160.07472	1.1
160.12068	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	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
55.70490	0.6
67.05500	2.5
69.08758	6.1
70.06607	1.1
76.92832	1.5
77.48680	0.7
79.05500	1.4
81.07043	1.2
84.09064	0.7
91.05487	11.6
98.97577	1.3
100.09216	0.7
103.05458	0.9
105.07040	23.0
106.07358	1.0
110.48853	0.6
115.05413	3.8
116.06217	2.2
117.07024	23.5
118.07376	1.0
118.96824	1.1
119.08584	9.3
120.08992	0.7
128.06197	1.2
129.07010	14.0
130.07817	6.5
131.08577	45.5
132.08900	2.4
141.06976	1.0
142.07777	2.9
143.08597	1.7
144.05704	1.1
144.09348	25.0
145.09697	1.2
157.10129	5.2
159.08087	16.6
159.11697	100.0
160.08429	1.3
160.12050	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
51.57271	0.4
53.03952	0.7
54.41147	0.3
55.05509	2.9
56.96563	1.2
57.03432	0.4
57.07061	0.5
59.93105	0.6
61.18495	0.3
67.05506	8.9
69.07060	1.3
70.88276	0.9
71.04980	1.0
75.70417	0.4
79.05474	2.2
81.07053	8.6
83.08611	0.4
85.02901	1.2
91.05486	6.0
93.07069	0.8
95.04913	0.4
95.08608	10.9
96.08967	0.5
97.06503	0.5
98.97574	3.8
99.04410	0.6
99.08081	0.5
99.97939	0.5
100.74709	0.4
103.05473	2.2
105.07027	15.7
106.07384	0.9
113.09698	0.6
115.05433	2.0
116.06230	1.5
116.98586	2.5
117.07021	10.5
117.98954	0.4
118.06533	0.6
118.96745	1.4
119.08576	18.0
120.08938	0.4
123.08057	3.3
123.11720	0.5
125.21149	0.4
128.06224	2.6
128.72374	0.4
129.07002	18.4
130.07797	4.8
131.04916	2.8
131.08569	23.9
132.08888	1.5
134.99637	1.1
141.06992	1.5
141.09085	1.2
142.07753	2.0
143.08589	2.1
144.05713	2.0
144.09338	41.0
145.06425	1.0
145.09637	2.1
150.95660	0.4
154.96390	0.4
157.10114	4.1
159.04407	1.0
159.08122	5.3
159.11685	100.0
160.05077	0.5
160.07523	0.7
160.12006	7.1
169.07640	0.6
171.72176	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	0.2
58.75561	0.1
60.95839	0.1
69.86519	0.4
69.86935	0.3
72.58083	0.1
82.01444	0.6
82.99838	2.9
83.99910	0.4
88.69349	0.1
98.97587	0.6
100.02478	0.8
101.00881	34.1
102.00940	4.0
102.02155	0.2
102.12528	0.1
102.96894	0.7
103.00639	1.0
110.01741	0.1
116.98617	0.4
118.03519	0.5
119.01920	100.0
120.02001	9.3
120.03271	0.2
120.97897	0.4
121.01654	1.5
121.02367	0.2
124.02436	0.3
125.02543	0.5
126.02206	0.2
133.98036	0.1
134.99706	0.2
136.48358	0.3
137.02956	25.2
137.04672	0.6
138.03040	2.3
138.04204	0.2
138.98933	0.2
139.02588	0.2
142.03477	1.0
143.03633	4.0
144.03221	1.5
145.48874	0.2
160.04558	0.3
161.02950	3.3
161.04692	4.3
162.03096	0.3
162.04286	1.8
179.02432	0.3
179.04007	4.7
179.05730	1.0
180.04039	0.3
180.05385	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
55.01873	3.5
55.05506	0.4
56.96564	2.3
57.03437	1.1
58.06583	0.2
58.96161	0.4
58.99855	0.6
60.00626	0.2
60.04506	0.2
60.95850	1.4
61.02923	0.5
65.03923	0.3
66.95267	0.2
67.05506	0.4
69.03430	2.2
70.06567	0.3
70.32748	0.5
70.68562	0.2
70.99857	0.8
71.01348	0.3
71.04979	0.3
73.02915	1.1
75.04480	0.3
77.00913	0.4
77.03928	0.3
79.05492	4.9
81.03420	1.2
82.99833	2.3
83.04975	0.3
84.04484	0.3
84.08168	0.3
85.02905	2.3
86.03272	0.3
87.04469	0.5
89.00869	0.3
89.03931	0.2
91.05476	2.4
95.04970	0.6
97.02885	2.7
97.52445	0.2
98.01292	0.2
98.03232	0.4
98.06074	0.3
98.97588	2.0
99.04475	0.4
100.97169	0.5
101.00877	28.0
101.94990	0.3
101.97282	0.2
102.00953	2.6
102.96861	1.5
103.00636	0.8
103.02407	0.3
103.05472	3.2
104.06284	0.3
105.04541	0.2
105.07027	15.7
106.07346	0.5
109.02934	0.3
110.97591	0.2
112.99129	0.7
113.02499	0.2
113.99498	0.3
115.02405	0.6
115.03925	0.3
115.05450	4.5
116.05749	0.2
116.98624	1.5
117.07005	0.2
119.01916	100.0
119.04858	1.8
119.08585	0.3
119.96054	0.2
120.01995	9.8
120.03291	0.3
120.97885	1.1
121.01641	1.6
121.02373	0.2
123.04675	0.2
124.02473	0.2
125.02570	0.3
126.09169	0.4
127.03900	0.5
128.98438	0.5
131.00171	0.7
131.01878	0.6
131.04926	0.5
132.00523	0.3
132.05713	0.5
133.01651	0.2
133.03493	1.3
133.06483	7.9
133.10191	0.2
134.06818	0.2
134.99614	0.5
135.03249	0.4
137.02948	32.5
138.03044	3.1
138.98932	0.5
139.02618	0.3
142.03506	1.7
143.00185	0.5
143.01906	5.3
143.03661	3.5
143.04915	1.0
144.02144	0.4
144.03200	1.5
144.06587	0.3
145.03459	0.3
146.99471	1.5
147.03215	0.3
147.05055	0.3
149.01202	0.6
156.97482	0.2
157.03482	0.8
159.03264	0.4
159.04990	0.3
160.04616	0.3
161.02963	10.5
161.04659	4.1
161.05991	7.9
161.06958	0.4
161.09549	0.4
161.10782	1.1
162.03088	0.8
162.04337	1.4
162.05412	0.3
162.09152	0.2
162.11275	0.2
162.98923	0.2
165.00504	0.9
174.98520	0.2
175.02788	0.3
175.04504	0.4
177.00688	0.3
177.04308	0.3
179.04013	4.3
179.05724	1.1
180.04082	0.4
180.05505	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
55.01873	3.5
55.05506	0.4
56.96564	2.3
57.03437	1.1
58.06583	0.2
58.96161	0.4
58.99855	0.6
60.00626	0.2
60.04506	0.2
60.95850	1.4
61.02923	0.5
65.03923	0.3
66.95267	0.2
67.05506	0.4
69.03430	2.2
70.06567	0.3
70.32748	0.5
70.68562	0.2
70.99857	0.8
71.01348	0.3
71.04979	0.3
73.02915	1.1
75.04480	0.3
77.00913	0.4
77.03928	0.3
79.05492	4.9
81.03420	1.2
82.99833	2.3
83.04975	0.3
84.04484	0.3
84.08168	0.3
85.02905	2.3
86.03272	0.3
87.04469	0.5
89.00869	0.3
89.03931	0.2
91.05476	2.4
95.04970	0.6
97.02885	2.7
97.52445	0.2
98.01292	0.2
98.03232	0.4
98.06074	0.3
98.97588	2.0
99.04475	0.4
100.97169	0.5
101.00877	28.0
101.94990	0.3
101.97282	0.2
102.00953	2.6
102.96861	1.5
103.00636	0.8
103.02407	0.3
103.05472	3.2
104.06284	0.3
105.04541	0.2
105.07027	15.7
106.07346	0.5
109.02934	0.3
110.97591	0.2
112.99129	0.7
113.02499	0.2
113.99498	0.3
115.02405	0.6
115.03925	0.3
115.05450	4.5
116.05749	0.2
116.98624	1.5
117.07005	0.2
119.01916	100.0
119.04858	1.8
119.08585	0.3
119.96054	0.2
120.01995	9.8
120.03291	0.3
120.97885	1.1
121.01641	1.6
121.02373	0.2
123.04675	0.2
124.02473	0.2
125.02570	0.3
126.09169	0.4
127.03900	0.5
128.98438	0.5
131.00171	0.7
131.01878	0.6
131.04926	0.5
132.00523	0.3
132.05713	0.5
133.01651	0.2
133.03493	1.3
133.06483	7.9
133.10191	0.2
134.06818	0.2
134.99614	0.5
135.03249	0.4
137.02948	32.5
138.03044	3.1
138.98932	0.5
139.02618	0.3
142.03506	1.7
143.00185	0.5
143.01906	5.3
143.03661	3.5
143.04915	1.0
144.02144	0.4
144.03200	1.5
144.06587	0.3
145.03459	0.3
146.99471	1.5
147.03215	0.3
147.05055	0.3
149.01202	0.6
156.97482	0.2
157.03482	0.8
159.03264	0.4
159.04990	0.3
160.04616	0.3
161.02963	10.5
161.04659	4.1
161.05991	7.9
161.06958	0.4
161.09549	0.4
161.10782	1.1
162.03088	0.8
162.04337	1.4
162.05412	0.3
162.09152	0.2
162.11275	0.2
162.98923	0.2
165.00504	0.9
174.98520	0.2
175.02788	0.3
175.04504	0.4
177.00688	0.3
177.04308	0.3
179.04013	4.3
179.05724	1.1
180.04082	0.4
180.05505	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84237	0.6
53.03934	0.7
67.05466	0.6
69.03423	0.9
70.97759	0.7
75.52795	0.6
78.95493	0.7
84.86452	0.7
89.15028	0.7
91.05486	4.1
93.07030	2.8
98.22601	1.9
105.07030	39.5
106.07349	2.1
107.04935	2.5
115.05471	0.8
117.07006	1.2
118.57684	0.7
119.04964	0.7
119.08590	2.2
121.06506	20.2
122.06857	1.0
122.58305	0.7
123.44494	0.6
128.06239	3.7
131.04909	4.0
131.08534	1.3
132.05750	1.5
133.06479	2.8
133.09100	0.8
133.10124	23.8
143.08604	3.8
145.06497	4.0
146.07266	29.4
147.07677	0.7
159.08081	1.2
161.09619	100.0
161.13226	1.8
162.09952	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	161.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61594	0.3
53.03952	0.6
55.01868	1.1
55.05506	0.8
60.04508	0.5
67.05501	1.3
69.03432	5.6
69.07060	0.7
74.06094	0.4
78.35476	0.4
79.05490	2.7
81.07059	2.0
84.04494	0.4
85.02905	0.4
91.05476	8.3
93.07049	3.8
95.04983	0.5
95.08583	0.5
97.02870	0.5
98.06065	0.7
103.05475	0.9
105.03398	0.4
105.07030	38.4
106.07380	2.1
107.04957	2.2
113.38084	0.3
115.05451	1.0
116.06246	0.5
117.06998	2.3
118.07796	0.5
119.04948	0.6
119.08580	10.5
121.06503	14.8
122.06889	0.7
128.06223	5.4
131.04918	3.1
131.08548	2.1
132.05724	1.7
133.06519	2.8
133.10132	23.6
134.10474	1.2
141.06989	0.5
143.08554	7.4
144.06578	0.8
145.06488	3.4
146.07263	26.0
147.07571	1.1
155.06026	0.4
159.08038	1.1
161.09616	100.0
161.13242	9.0
162.05479	0.7
162.07722	0.4
162.09981	5.7
162.13654	0.4
184.53429	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
54.37025	0.4
55.01860	0.8
55.05505	0.9
56.34392	0.3
57.78057	0.4
58.02962	0.5
60.04517	0.9
67.05517	0.6
69.03429	3.7
70.44843	0.7
70.45196	0.7
72.04502	0.7
74.06087	0.5
79.05473	1.5
80.05811	0.4
81.03422	0.4
81.07052	0.7
84.04504	1.2
85.02898	0.9
88.03996	0.4
91.05477	10.1
93.07049	3.4
95.04974	0.7
95.99080	0.3
96.04482	0.4
97.02882	1.4
98.06059	1.0
103.05430	0.6
103.63556	0.3
105.07031	38.8
106.06486	0.4
106.07363	1.5
107.04935	2.1
115.05434	0.9
116.06244	0.5
117.06309	0.5
117.07028	3.9
119.04949	1.1
119.08585	5.4
121.06505	15.9
122.06834	0.6
128.06216	5.1
131.04944	2.8
131.08554	2.7
132.05673	1.1
133.06520	3.0
133.07501	0.6
133.10130	24.1
134.06021	0.8
134.08136	0.6
134.10458	1.0
143.08557	6.0
144.06570	1.1
145.06488	4.3
146.07272	25.0
147.07567	1.2
159.08058	1.3
161.09616	100.0
161.13191	4.2
162.05478	0.7
162.07613	0.9
162.10007	5.5
162.13559	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.7
55.01873	27.0
55.05509	5.0
57.03425	1.1
65.03935	1.8
67.05505	10.4
69.03409	1.2
70.67735	1.7
77.03916	1.3
79.05490	15.9
81.03405	2.2
81.07037	2.3
83.04974	3.1
89.50669	0.8
91.05479	97.0
92.05804	3.6
93.07041	5.6
95.04959	2.9
103.05457	3.7
105.02710	1.3
105.03397	20.6
105.07026	100.0
106.03687	1.1
106.07378	3.2
107.04952	65.8
107.08578	0.9
108.05293	2.3
115.05460	10.9
117.07015	60.0
118.07352	2.0
119.04943	9.8
119.08577	49.9
120.08909	1.9
124.55169	0.8
128.06218	25.0
129.06554	1.1
131.08565	6.8
132.05722	1.7
133.02846	10.7
133.06503	6.2
133.10126	38.0
134.10451	1.7
140.23509	0.7
141.07050	0.8
143.08553	24.1
144.08855	2.2
146.07239	3.5
155.01776	0.9
155.06023	1.1
161.02364	6.8
161.05948	1.5
161.09610	66.1
161.13194	8.4
161.52318	0.9
162.10019	4.5
164.82201	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.01870	0.5
55.05506	1.1
55.66908	0.2
65.03909	0.3
67.05499	0.8
68.87819	0.3
69.07064	1.0
70.82912	0.5
77.03926	0.4
79.05486	1.4
81.07053	1.5
89.50019	0.3
91.05478	7.3
93.07039	1.2
95.04980	0.4
97.02908	0.3
103.05453	1.0
104.06253	0.6
105.03414	1.8
105.07029	20.4
106.07361	0.7
107.04948	1.1
107.08614	0.4
109.87866	0.3
115.05453	0.5
117.07023	2.1
119.08578	100.0
120.08910	3.9
121.10151	0.7
128.06247	0.6
131.08545	1.6
132.96001	0.3
133.02850	3.9
133.06447	0.4
133.10132	10.0
134.10509	0.5
143.08551	0.6
146.07289	0.4
146.10915	0.5
159.11687	0.6
161.02336	2.9
161.05977	1.4
161.07166	0.4
161.09581	3.3
161.13260	14.0
162.05424	0.3
162.09148	0.3
162.13589	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
55.05508	0.9
67.05496	0.2
69.07063	0.5
69.83792	1.1
77.03922	0.3
79.05491	1.5
81.07056	1.1
82.42511	0.2
91.05483	5.8
93.07035	0.9
101.76701	0.3
103.05459	0.6
104.06209	0.5
105.03395	1.9
105.07034	15.3
106.07371	0.6
107.08553	0.4
117.07022	2.2
119.08582	100.0
120.08923	4.0
121.10152	0.4
131.08563	1.1
133.02864	2.4
133.10129	7.2
134.10457	0.3
145.10201	0.3
146.10838	0.7
147.28355	0.2
159.11696	0.6
161.02356	1.6
161.06015	0.4
161.09605	0.9
161.13263	11.8
162.13596	0.6
168.83728	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03950	0.9
53.22320	0.3
55.01864	0.6
55.05513	8.0
62.09734	0.4
67.05500	1.3
69.07067	5.7
69.38921	2.5
71.10453	0.4
79.05490	3.6
81.07059	3.2
91.05478	12.5
93.07040	2.8
95.04934	0.7
98.06036	0.5
103.05462	1.5
105.03441	0.4
105.07031	34.6
106.06666	0.4
106.07380	1.2
107.08578	2.4
115.05430	2.4
117.07029	5.0
118.07788	0.7
119.08578	100.0
120.08881	4.4
121.10133	6.6
128.06223	0.7
131.08562	6.3
133.06454	1.7
133.10124	38.9
134.05995	0.4
134.10493	1.8
143.08534	0.9
145.10101	0.7
146.07220	1.2
146.10896	2.7
159.11630	2.1
161.05975	3.4
161.07130	0.7
161.09630	5.5
161.13251	51.1
162.05513	1.5
162.13596	3.2
183.39304	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.8
55.01854	1.3
55.05508	7.6
56.05817	0.9
57.03432	1.6
57.07063	3.6
63.02370	2.1
65.03926	1.7
67.05489	3.2
69.03423	2.5
69.07067	31.3
69.14520	5.6
77.03922	1.6
79.05491	29.0
80.05010	1.5
80.05783	0.9
81.03417	4.6
81.07058	9.7
83.08621	7.2
85.02922	1.2
89.03915	78.8
90.04240	2.1
91.05477	22.7
93.07043	37.5
93.07632	1.9
94.07368	1.3
95.04972	4.4
95.08604	11.2
98.23409	1.1
103.05484	4.6
105.03376	1.4
105.04520	1.9
105.07024	24.6
107.04958	16.3
107.08590	100.0
108.04478	1.9
108.05238	0.8
108.08092	2.6
108.08771	1.2
108.09428	1.7
109.06497	2.2
109.10133	2.6
110.06005	0.9
115.05486	1.5
116.04979	1.8
117.03374	58.9
117.06983	4.3
118.03696	2.3
118.06464	0.8
119.06034	1.2
119.08565	10.4
120.05713	1.0
120.09372	1.3
121.06511	1.5
121.10141	59.8
122.10518	1.1
123.08003	1.3
128.06297	1.0
130.06523	1.4
130.07756	3.1
131.04930	1.2
132.01999	1.0
132.08096	1.9
133.02913	1.8
133.10068	1.3
135.04410	91.6
135.08023	3.1
135.11679	33.1
136.04732	3.4
136.07616	5.1
136.12013	1.3
145.02847	37.5
145.03870	1.4
145.06479	0.7
145.10101	11.9
146.03136	1.9
147.04341	1.0
150.03136	0.8
163.03897	79.5
163.07567	2.3
163.11191	12.7
163.12498	1.7
163.14815	27.5
164.04260	2.9
164.07068	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.8
55.01872	0.8
55.05514	1.0
63.02382	1.8
65.03944	0.7
67.05502	1.1
69.03413	1.5
69.07070	1.7
71.04121	0.6
73.67134	0.6
76.66037	0.6
77.03933	1.0
79.05487	15.0
80.05000	0.7
80.05804	0.9
81.03418	4.2
81.07063	1.3
82.22259	0.6
85.02900	1.4
89.03914	82.0
90.04238	2.4
91.05482	5.9
93.07030	3.6
95.04971	3.0
98.22542	1.1
103.05447	2.2
105.03365	0.8
105.04494	1.4
105.07040	2.8
106.06528	1.0
107.04950	16.9
107.08580	4.8
115.05491	1.5
117.03373	63.8
117.06987	3.7
118.03690	3.0
118.06538	0.9
118.07302	0.7
119.04906	1.3
119.08588	1.3
120.08054	0.6
121.06474	2.0
121.10117	3.9
130.06490	2.1
131.04904	1.8
132.02005	0.9
132.08090	1.8
133.02869	1.5
135.04408	100.0
135.08066	2.3
135.11700	1.7
136.04739	3.8
136.07568	0.7
145.02844	40.2
145.03882	1.7
145.06461	2.8
145.10117	1.7
146.03185	2.0
147.04373	1.8
163.03896	87.8
163.07457	3.5
163.11143	5.0
163.12277	0.9
163.14804	1.0
164.04274	4.3
178.91808	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
51.02369	0.6
53.03949	3.4
55.05512	1.5
63.02378	2.0
64.32825	0.5
65.03941	0.5
67.05512	0.7
69.03442	0.8
69.07072	4.4
69.25506	2.5
69.25906	1.0
77.03933	1.1
79.05498	14.4
81.03412	1.7
81.07058	3.3
83.08612	0.9
89.03922	75.5
90.04257	2.2
91.05481	4.3
93.07046	7.0
95.04974	2.8
95.08612	2.0
103.05463	1.5
105.04521	1.0
105.07051	2.3
107.04964	14.7
107.08603	18.2
108.05283	0.5
109.10217	0.7
117.03385	64.2
117.07027	1.4
118.03709	2.8
119.08630	3.0
121.06518	1.0
121.09310	0.7
121.10143	8.4
130.06540	1.1
131.04915	1.8
132.08032	0.8
133.02890	0.7
135.04420	100.0
135.11691	4.6
136.04750	3.2
137.29327	0.4
145.02861	41.0
145.03911	1.6
145.10098	1.6
146.03210	1.5
163.03914	77.0
163.07532	1.7
163.11157	2.6
163.12387	0.6
163.14844	7.3
164.04274	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
51.02382	0.5
53.03953	3.1
55.01875	1.2
55.05507	1.7
57.69645	0.4
58.06385	0.4
60.69322	0.4
63.02372	1.8
65.03940	1.0
65.98621	0.4
67.05500	2.2
67.67513	0.5
68.99873	0.4
69.03429	1.6
69.07088	2.6
71.13303	0.7
76.83890	0.5
77.03912	1.6
77.48615	0.5
79.05497	17.9
81.03423	5.4
81.07057	1.5
83.08627	0.8
89.03922	76.0
90.04264	2.6
91.05485	8.7
93.07050	11.6
95.04956	3.5
95.08582	1.0
103.05463	3.1
105.04517	1.9
105.07039	3.9
107.04955	17.9
107.08600	16.6
108.05295	0.9
109.06538	0.5
115.05442	1.1
117.03384	58.0
117.07011	3.7
118.03719	2.4
118.06569	0.7
119.08588	7.8
120.09382	0.9
121.06506	4.5
121.09299	0.9
121.10148	8.7
130.06483	0.9
130.07803	0.6
131.04922	3.4
132.08104	0.9
133.02785	0.9
135.04419	100.0
135.08057	4.1
135.10667	0.8
135.11696	12.9
136.04732	3.7
136.07585	0.7
145.02858	40.1
145.03912	1.9
145.06435	0.8
145.10088	2.8
146.03181	1.6
149.39594	0.4
163.03911	71.8
163.07527	3.8
163.11172	8.2
163.12451	0.8
163.14799	3.2
164.04251	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	163.039
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
52.18702	0.6
53.03946	3.2
55.01870	0.7
55.05494	0.6
63.02374	2.3
67.05501	1.1
69.03441	0.5
69.08610	1.6
69.09029	3.5
77.03922	0.6
79.05050	0.3
79.05493	11.4
89.03918	73.3
90.04247	2.5
91.05470	2.1
93.07037	2.1
95.04966	2.2
105.04525	0.9
105.07033	0.8
107.04950	14.5
107.08590	2.0
110.82521	0.6
115.05492	0.5
117.03377	56.4
117.06997	0.7
117.25696	0.5
118.03697	2.7
119.08595	0.7
121.06472	0.7
121.10129	1.2
122.03645	0.8
130.06506	1.3
132.02066	2.2
132.08072	1.3
133.02893	0.8
135.04414	83.4
135.11650	1.1
136.04713	3.9
136.07538	0.6
145.02846	38.7
145.03879	1.6
145.10100	1.4
146.03191	1.9
150.03099	1.0
158.06035	0.7
163.03902	100.0
163.11174	3.5
163.12346	1.4
163.14781	0.9
164.04214	3.8
164.07126	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0602
Annotation	(S)-2-(Hydroxymethyl)glutarate
Peak:m/z	Relative Intensity
53.03944	6.3
55.01643	1.6
55.01877	20.7
55.05513	4.2
57.03206	1.9
57.03442	23.4
58.06598	1.3
59.90968	1.3
61.02929	11.8
69.03434	64.1
69.12503	1.2
70.03724	2.1
71.01352	1.8
71.04977	4.9
71.28180	1.5
73.02920	10.5
78.95271	1.7
79.05505	7.9
80.04997	3.8
81.03416	8.1
83.01370	1.5
83.04986	3.8
84.04536	2.0
85.02908	100.0
85.04858	1.4
86.03252	2.6
87.04482	2.7
89.03934	2.6
91.03951	1.5
91.05507	3.1
92.02644	1.7
95.04977	6.6
97.02892	16.6
98.42513	1.1
99.04469	13.0
99.08108	1.6
101.02394	11.3
103.00595	1.7
103.03934	2.7
105.03400	6.3
105.04525	3.3
106.06569	2.6
107.04963	2.2
107.08594	1.3
108.04472	6.8
108.08112	5.4
109.02865	3.7
110.06033	1.4
110.43911	1.2
115.03960	2.9
117.05731	1.7
118.06589	1.3
120.08116	1.4
121.01667	7.8
127.03922	15.6
130.06541	3.4
132.08099	5.3
133.02846	14.7
135.04430	19.5
135.08083	1.2
136.07576	7.8
139.02710	2.0
145.06552	1.9
163.02756	2.0
163.03914	46.1
163.08661	5.3
163.11482	3.8
163.12498	1.9
164.04271	1.8
164.07047	2.6
166.12990	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09838	0.8
51.02361	0.8
52.10062	0.8
53.03946	6.8
54.46167	0.8
54.54486	0.8
55.01886	4.9
55.05503	2.4
57.03442	9.7
61.02931	10.7
63.02356	2.1
65.03950	0.9
67.05498	3.0
69.03432	26.2
69.07060	2.6
69.46744	2.7
69.47131	1.7
70.03732	1.1
71.01357	1.0
71.04999	1.6
73.02912	4.9
73.06544	1.9
77.03931	1.8
79.05497	17.1
79.96351	0.8
80.05027	2.0
81.03424	7.9
81.07053	2.8
83.01304	1.1
85.02910	65.1
86.03233	1.6
89.03922	54.8
90.04268	1.3
90.79196	0.9
91.03957	2.0
91.05489	8.5
93.07063	7.5
95.04983	6.5
97.02898	13.4
99.04461	2.6
101.02371	1.4
102.96855	1.2
103.05473	11.2
105.03378	4.2
105.04520	2.8
105.07021	7.7
106.06540	3.2
107.04956	15.3
107.08595	8.6
108.04459	1.2
108.08089	1.7
109.02864	5.1
109.06521	1.7
110.06050	0.9
112.27161	0.9
115.03936	0.9
115.05464	2.1
116.47230	0.9
117.03385	44.1
117.05756	2.4
117.07014	6.9
118.03677	1.4
119.04941	1.3
119.08591	2.9
120.08063	1.7
121.00796	0.9
121.06503	3.6
121.10136	6.6
123.40634	0.9
127.03899	3.0
130.06532	7.3
130.07750	2.5
131.04935	10.4
132.08076	6.8
133.02840	8.1
135.04420	83.3
135.08006	4.5
135.11697	3.3
136.04750	2.9
136.07584	3.3
139.51682	0.8
145.02859	26.3
145.03973	1.7
145.06538	1.8
145.07610	1.8
145.10110	6.1
147.04369	1.6
158.96370	1.0
163.03908	100.0
163.07538	10.3
163.08704	6.2
163.11176	9.9
163.12343	4.6
163.14854	2.8
164.04239	4.9
164.07065	2.9
164.10619	1.1
181.02936	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0602
Annotation	3-Hydroxy-3-methylglutarate
Peak:m/z	Relative Intensity
53.03954	4.6
55.01874	4.5
55.05507	0.6
56.96563	1.0
57.03160	0.6
57.03439	10.2
59.05011	0.4
60.95845	0.7
61.02933	14.4
62.80170	0.4
63.92952	0.5
67.05521	0.5
69.03433	32.3
70.03787	0.4
71.01357	1.1
71.04996	2.1
71.20371	0.6
73.02921	5.6
78.95289	1.1
79.05504	3.1
80.05047	0.5
81.03420	9.9
83.01344	0.8
84.08121	0.4
85.02908	78.7
86.03243	1.5
87.04467	1.8
89.03926	0.9
91.03973	2.3
91.05461	2.5
92.02649	0.9
92.05014	0.8
93.07060	0.8
95.04975	2.0
97.02896	15.1
98.97603	0.9
99.04479	2.9
101.02399	2.3
102.96886	2.9
103.00638	1.1
103.03944	0.8
103.05489	0.9
105.03399	1.5
105.04503	0.8
105.07047	0.8
106.06535	1.4
107.04963	3.0
107.08597	1.2
108.04479	0.8
108.08150	0.7
109.02872	6.1
115.03905	0.7
115.05497	0.8
116.98656	0.5
117.03407	0.9
117.05727	1.5
117.07029	2.0
117.77950	0.4
118.06557	2.1
119.97942	0.7
120.08075	0.8
120.97911	1.6
121.01669	5.1
127.03917	6.9
130.06543	3.6
131.04912	0.7
132.07126	0.7
132.08080	4.3
132.57950	0.4
133.02835	3.8
133.06599	1.0
133.07614	15.5
134.07922	0.6
135.04440	5.5
135.08076	2.4
136.07619	0.8
139.02690	0.7
140.95206	0.7
145.05013	1.0
145.06552	0.9
145.07603	17.1
146.08334	1.5
158.96332	0.6
163.01747	1.1
163.03938	13.0
163.08672	100.0
163.12291	3.5
163.36649	0.4
164.04358	0.5
164.07018	0.5
164.09076	3.7
181.02899	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.5
51.02383	1.0
53.03948	4.9
55.01877	3.9
55.05506	0.9
57.03444	4.3
61.02932	4.9
63.02384	2.0
65.03947	1.6
67.05511	3.3
67.05821	0.6
69.03436	15.2
69.03816	0.9
69.07063	1.6
70.02969	0.5
71.01361	0.7
71.05001	1.4
71.29591	0.6
73.02922	2.2
77.03953	1.2
79.05499	23.8
80.05023	3.9
80.05821	0.6
81.03426	8.7
81.07054	3.8
84.08138	0.8
85.02914	38.1
86.03260	0.6
87.04478	0.7
89.03924	71.1
90.04248	2.7
91.03978	0.5
91.05481	10.3
93.03410	0.6
93.05803	1.3
93.07043	8.3
94.06574	0.5
94.08233	0.5
95.04969	7.9
95.08627	1.6
97.02895	6.6
98.03250	0.5
99.04459	1.0
101.02392	1.3
101.60587	0.5
102.04636	0.6
102.75375	0.4
103.05473	18.3
103.61406	0.5
104.05774	0.9
105.03426	3.1
105.04498	2.6
105.07034	7.8
106.04160	0.4
106.06573	2.6
107.04963	28.1
107.07358	1.1
107.08598	11.9
107.11000	0.5
108.04498	1.2
108.05252	0.8
108.08130	8.1
109.02898	3.0
109.06529	1.0
109.43680	0.5
110.06036	1.5
115.05472	2.5
117.03387	52.8
117.05736	2.2
117.07020	8.8
118.03694	3.0
118.06538	2.2
119.04974	1.0
119.08598	2.8
120.08128	1.8
121.00847	0.5
121.05246	1.0
121.06519	3.5
121.10138	5.0
127.03906	2.4
130.06544	5.0
130.07558	0.8
131.04942	21.0
131.05934	1.1
132.02069	1.1
132.05290	0.7
132.08099	5.8
133.02888	5.3
133.06520	0.8
134.06009	0.9
135.04427	99.0
135.08052	8.8
135.11697	3.6
136.04761	3.6
136.06819	0.3
136.07584	13.1
145.02861	38.0
145.03879	1.6
145.06477	4.3
145.10144	3.3
146.03221	1.7
146.06033	1.3
147.04443	0.7
148.05193	1.0
158.05974	0.5
158.96370	0.6
163.03914	100.0
163.07533	16.7
163.08638	1.4
163.11188	8.9
163.12350	2.9
163.14838	2.0
164.04285	5.0
164.07043	8.3
164.10623	0.5
181.02881	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0867
Annotation	5-methoxy-6-methylbenzimidazole
Peak:m/z	Relative Intensity
50.51899	0.2
53.03949	1.5
55.01883	1.9
55.05503	0.2
56.96556	0.8
57.03436	2.1
60.95848	0.9
61.02935	2.1
63.63480	0.2
63.92933	0.4
65.03942	0.4
67.05520	0.3
68.99766	0.2
69.03431	6.3
70.84741	0.4
71.01363	0.3
71.04980	0.7
73.02921	1.3
78.95296	1.0
79.05503	2.0
80.05016	0.8
81.03419	1.8
81.07033	0.3
84.08141	0.9
84.48495	0.2
85.02911	13.1
86.03231	0.2
87.04478	0.3
89.03890	1.0
91.05476	1.6
92.02637	0.6
92.05007	1.2
93.07059	0.3
94.06572	0.3
95.04962	1.6
96.04488	0.3
97.02900	2.8
98.97608	0.3
99.04444	0.7
99.75224	0.2
101.02376	0.7
102.96877	2.8
103.00582	0.3
103.03962	0.2
103.05473	0.5
105.03390	1.6
105.04514	0.7
105.07021	0.6
106.06553	2.5
107.04976	1.9
107.08604	0.7
108.04458	0.7
108.08116	0.7
109.02872	1.1
110.06034	0.2
115.05487	0.4
116.98604	0.4
117.03388	0.5
117.05770	2.3
117.07025	0.9
118.06564	2.4
119.97883	0.4
120.08097	1.4
120.97915	2.3
121.00786	0.6
121.01673	2.1
121.06522	0.2
121.10120	0.2
122.94218	0.2
127.03957	1.1
130.06540	4.8
131.04962	0.5
132.08089	5.4
133.02841	3.2
133.07620	17.1
134.07951	0.7
135.04424	5.2
135.05399	0.1
135.08043	0.6
136.07564	1.5
138.98958	1.1
139.01826	0.6
139.02750	0.6
145.02802	0.2
145.07607	21.4
146.05995	0.3
146.08421	2.0
158.96342	0.7
163.01750	0.6
163.03937	13.2
163.08670	100.0
163.12283	4.0
164.04370	0.5
164.07088	0.7
164.09059	4.3
181.02838	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02367	0.9
53.03950	4.4
55.01875	13.3
55.05513	5.6
57.03440	3.3
57.07064	1.1
65.03941	1.2
67.05508	13.0
69.03435	4.2
69.07067	4.6
69.77167	2.0
69.77585	1.1
71.04999	1.0
77.03909	0.8
79.05494	33.0
80.05027	1.5
81.03419	8.6
81.07055	15.0
83.04974	2.6
84.08111	0.7
85.02918	1.2
89.03933	3.8
91.05482	24.2
92.02624	0.7
93.07043	42.6
95.04974	11.8
95.08605	9.6
97.06504	2.1
98.23293	1.0
103.05477	3.2
105.03439	3.8
105.04518	2.6
105.07027	19.2
106.06546	2.9
107.04958	16.3
107.08591	27.0
108.08137	0.7
108.08896	1.1
109.06531	3.2
115.05420	3.5
116.06215	0.7
117.03375	2.4
117.05804	3.5
117.07015	23.0
118.06535	0.7
119.08574	12.6
120.08127	1.3
121.06508	11.5
121.10133	8.9
122.09670	1.5
123.08077	0.7
128.06148	0.8
129.07066	1.5
130.06526	6.4
130.07779	6.8
130.16612	0.6
132.08093	8.1
133.02859	5.4
133.06485	1.4
133.10139	2.6
134.07257	1.4
135.04420	10.2
135.08061	6.7
135.11693	12.6
136.07571	1.1
143.08542	1.3
145.02841	1.4
145.06523	1.0
145.10123	28.2
146.10509	1.2
163.03902	23.9
163.07559	2.5
163.11172	100.0
163.12285	5.8
164.04266	1.8
164.07050	1.6
164.11635	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	163.1117
Annotation	Caudoxirene
Peak:m/z	Relative Intensity
51.02385	1.2
53.03945	5.6
55.01871	10.7
55.05507	3.6
60.70260	0.9
61.67635	0.8
62.47351	0.8
63.02371	1.5
65.03937	2.1
66.93089	1.1
67.05503	19.4
69.03423	1.9
69.07067	8.9
70.14444	3.3
72.69595	0.7
77.03915	2.1
79.05492	43.3
80.05010	1.1
80.05817	1.2
81.03445	4.3
81.07056	24.3
83.04975	6.0
83.08577	1.0
84.08117	1.1
85.02908	1.7
89.03916	50.2
90.04244	1.6
91.05479	30.2
93.07042	51.8
94.07358	2.4
95.04965	12.9
95.08598	6.1
97.06523	6.2
103.05460	2.1
105.03374	1.2
105.04515	2.1
105.07033	9.8
106.06528	1.4
107.04276	1.7
107.04954	17.2
107.07339	3.7
107.08595	26.0
109.06510	3.4
115.05508	1.2
116.06329	1.0
117.03374	33.0
117.05736	1.8
117.07010	13.0
118.03709	1.6
119.08573	20.7
120.08096	1.3
121.06503	10.4
121.09298	2.0
121.10134	25.2
122.03681	1.3
122.09661	14.1
122.10479	1.5
123.08148	1.0
130.06549	3.2
130.07796	3.2
131.04941	1.2
132.02058	4.3
132.08069	4.5
133.02852	1.7
133.06526	1.4
133.10149	1.6
135.04411	57.4
135.08060	6.5
135.11681	18.5
136.04767	3.3
136.07545	1.2
145.02843	30.1
145.03880	1.3
145.10112	21.4
146.03233	1.7
148.08789	1.3
150.03064	1.0
163.03903	100.0
163.07544	2.7
163.11171	95.3
163.14809	5.0
164.04236	7.2
164.10692	5.1
164.11765	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.2
55.01868	2.6
55.05515	8.5
57.03440	0.9
57.07063	3.3
63.02365	0.9
65.03951	1.2
67.05499	5.8
68.27395	0.7
69.03426	2.7
69.07071	19.2
71.05003	1.0
71.29111	1.4
73.55811	0.7
77.03931	1.1
78.89552	0.6
79.05491	23.1
80.05025	1.8
80.05826	0.9
81.03412	4.0
81.07055	8.8
83.04967	0.9
83.08617	9.7
85.02917	1.5
89.03918	41.3
90.04237	2.0
91.05479	16.0
92.05796	1.2
93.06472	1.8
93.07044	28.4
94.07359	1.2
95.04977	7.1
95.08609	7.0
103.05470	3.5
105.03387	2.7
105.04490	2.7
105.07025	17.5
106.06545	2.5
107.04964	11.5
107.08592	59.6
108.08154	1.6
108.08834	1.4
108.09457	1.5
109.06502	2.7
109.10155	1.7
115.05472	1.1
117.03381	33.2
117.05739	2.4
117.06994	4.9
118.03698	2.1
119.06032	0.9
119.08578	9.6
120.08092	1.8
121.06487	4.0
121.10139	65.8
122.10469	2.8
123.08103	1.4
130.06525	5.1
130.07771	1.2
131.04933	3.3
132.02069	2.2
132.08125	4.0
133.02835	2.7
133.07593	1.8
133.10085	1.4
134.92786	0.8
135.04416	55.1
135.08061	2.8
135.11688	18.2
136.04758	3.2
136.07550	3.1
145.02853	23.9
145.03981	1.9
145.06493	1.3
145.10132	8.2
146.03197	2.1
148.08807	1.0
150.03136	1.4
163.03903	100.0
163.07516	5.1
163.11174	44.8
163.12285	2.6
163.14804	18.0
164.04272	6.1
164.07037	4.1
164.11519	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	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03948	6.0
55.01863	3.4
55.05513	10.8
57.04459	0.8
57.07084	4.9
63.02361	1.8
65.03924	2.3
67.05486	6.9
67.57607	0.9
69.03419	2.0
69.07071	24.4
71.28416	1.6
77.03889	1.0
79.05493	30.8
80.05010	1.3
81.03409	3.1
81.07063	9.0
83.04947	1.2
83.08620	9.8
84.08143	1.2
85.02896	1.3
89.03918	50.7
90.04253	2.6
91.05483	18.1
92.05795	1.0
93.07044	36.7
94.07335	1.1
95.04988	7.4
95.08608	8.4
103.05474	6.0
104.11015	0.8
105.03408	3.4
105.04493	2.1
105.07028	20.6
106.06548	2.6
106.07245	0.9
107.04950	11.4
107.08595	71.9
108.04498	1.5
108.08223	0.9
108.08832	1.6
108.09470	1.9
109.06514	2.8
109.10146	1.7
110.06045	1.1
114.55419	0.9
115.05463	1.0
117.03378	35.7
117.05743	2.7
117.07038	4.9
118.03658	1.7
119.06093	1.7
119.08588	10.0
120.08085	1.5
121.06507	5.2
121.10145	68.7
122.03628	1.3
122.10461	3.1
130.06520	7.3
130.07751	1.7
131.04903	4.6
132.02061	3.8
132.08089	8.7
133.02826	4.9
133.07628	2.3
133.10109	1.8
135.04416	56.1
135.08052	5.1
135.11688	18.1
136.04749	2.8
136.07558	2.8
145.02847	27.1
145.03918	0.9
145.06531	2.9
145.10141	7.6
146.03212	1.3
147.04446	1.1
163.03909	100.0
163.07498	5.6
163.11160	28.5
163.12321	3.3
163.14819	23.7
164.04239	6.5
164.07109	3.4
164.11671	1.2
164.15218	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.79436	1.0
53.03951	7.2
55.01881	1.6
55.05514	8.0
57.03435	1.4
57.07070	4.9
63.02374	3.5
67.05507	4.5
67.05846	0.9
68.35031	1.1
69.03428	2.6
69.07071	52.7
69.21714	1.7
69.22106	6.1
70.20161	1.0
73.02856	1.0
77.03925	2.2
79.05067	2.2
79.05495	26.7
80.04990	1.1
80.05827	1.3
81.03408	2.8
81.07054	8.5
83.08612	7.3
84.04472	1.3
85.02909	3.9
89.03922	80.5
90.04250	3.1
91.05484	19.0
92.02628	2.2
93.07045	35.1
93.54681	1.0
94.07351	1.5
95.04974	6.5
95.08612	11.4
98.22651	2.1
103.05470	25.1
104.05811	1.7
105.03405	3.3
105.04493	2.2
105.07039	17.3
105.32339	1.1
106.06568	1.5
107.04958	20.9
107.08599	87.1
108.08879	2.8
109.06516	1.7
109.10145	1.7
115.05416	1.4
117.03382	56.0
117.05732	1.8
117.07026	4.6
118.03727	3.5
119.06066	1.8
119.08601	8.7
121.06532	1.8
121.10149	55.0
122.10460	1.5
130.06538	4.4
131.04938	24.7
132.08148	5.0
133.02879	2.7
133.10074	1.4
135.04420	100.0
135.08064	3.4
135.11690	23.2
136.04750	6.0
136.07571	5.3
136.12085	1.4
145.02864	36.2
145.03889	1.7
145.06487	3.5
145.10106	2.8
145.72499	1.2
146.03156	2.8
146.05968	1.2
163.03914	95.3
163.07495	9.0
163.08688	2.0
163.11162	6.6
163.12444	2.3
163.14835	33.5
164.04227	8.1
164.07095	2.1
164.15215	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.96866	0.8
51.02368	0.9
52.27988	0.8
53.03940	3.8
53.05039	0.8
55.01868	2.5
55.05510	8.1
57.03429	1.9
57.07082	3.9
63.02371	2.5
64.40484	0.9
65.03922	1.2
65.35140	0.8
67.05495	3.2
69.03416	2.2
69.07067	29.1
70.07372	0.9
70.82613	1.2
70.82929	0.9
77.03899	1.5
79.05489	30.4
80.05022	4.6
80.05795	1.0
81.03429	4.8
81.07059	9.7
83.08629	7.7
85.02887	1.4
87.80018	0.8
89.03915	76.2
90.04248	3.4
91.05479	21.8
93.05769	1.6
93.07041	33.5
94.07375	1.3
95.04977	4.9
95.08607	10.7
96.04492	1.6
103.05445	4.5
105.04523	1.4
105.07022	23.3
105.23765	0.8
105.31528	0.8
106.06557	2.1
106.07253	1.0
107.04958	15.8
107.08591	97.5
108.04492	8.6
108.05196	1.6
108.08155	11.4
108.08909	2.7
109.06512	3.2
109.10164	2.5
110.06036	5.6
110.57977	0.9
115.05466	1.4
116.04954	2.2
117.03379	62.5
117.05723	2.0
117.07021	4.2
117.66335	0.7
118.03702	3.8
118.06523	2.0
119.06076	1.5
119.08562	6.7
120.08055	0.8
120.85528	0.8
121.06521	2.7
121.10138	59.7
122.03640	1.0
122.10474	1.8
123.08017	1.6
130.06503	1.7
130.07796	2.7
131.04909	4.6
132.02087	0.9
132.08054	2.1
133.02869	2.0
133.07564	1.4
133.10161	1.8
135.04411	100.0
135.08073	3.5
135.11688	24.5
136.04749	5.4
136.06621	1.6
136.07579	19.2
136.08640	1.0
136.12068	1.2
145.02843	45.3
145.06483	1.8
145.10117	9.8
146.03142	2.3
146.10495	0.9
147.04379	2.4
147.08040	1.0
163.03899	81.9
163.07529	4.0
163.11147	10.7
163.12343	1.6
163.14821	31.3
164.04250	7.0
164.07033	5.4
164.15131	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	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
52.14854	0.3
53.03944	1.7
54.04684	0.3
54.19278	0.3
55.01870	0.4
55.05512	12.0
57.07076	6.0
65.03940	1.1
67.05502	3.1
69.03421	0.4
69.07067	34.6
70.07411	0.9
71.08627	0.8
71.29937	0.3
77.03900	0.4
79.05492	16.6
80.05038	0.5
80.05833	0.8
80.63689	0.3
81.03455	0.4
81.07059	4.4
83.08617	12.6
84.08936	0.7
89.03912	5.0
91.05476	14.2
92.06307	0.5
93.07043	33.6
94.07384	1.3
95.04971	2.0
95.08615	6.7
103.05456	2.5
105.07030	21.7
106.06617	0.4
106.07881	0.5
107.04948	1.6
107.08593	87.6
108.08855	1.8
108.09389	3.7
109.06499	2.9
109.10181	3.3
110.06784	0.4
117.03381	3.7
117.05782	0.4
117.07020	1.5
119.06082	1.8
119.08581	10.1
119.35935	0.4
120.09399	0.6
121.06534	1.0
121.10142	100.0
122.03868	0.4
122.10452	3.5
123.08080	2.5
130.06552	0.9
130.07742	0.7
131.04927	0.5
132.08133	0.7
133.02805	0.7
133.07588	1.8
133.10115	2.1
134.10904	1.5
135.04420	5.7
135.08113	0.8
135.11694	21.5
136.04770	0.4
136.12027	1.6
137.09636	0.5
145.02826	2.5
145.10130	2.1
146.98132	0.4
147.09140	0.5
148.12390	0.5
163.03915	8.5
163.07526	0.5
163.11183	5.2
163.14816	26.5
164.07050	0.4
164.15144	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02369	0.6
51.67001	0.5
53.03943	3.1
55.01865	1.1
55.05510	8.4
57.03437	0.8
57.07061	2.4
58.73517	0.5
63.02371	1.0
65.03933	1.5
67.05496	2.5
69.03429	1.8
69.07066	22.7
69.17919	1.7
69.18347	1.9
70.07418	0.8
77.03910	1.1
79.05489	23.7
80.05013	1.5
80.05833	0.8
81.03416	2.3
81.07048	10.4
81.84727	0.5
82.07386	0.8
83.08617	9.5
84.08085	0.6
84.71988	0.5
85.02896	4.0
89.03916	33.0
90.04260	1.7
91.05476	15.2
92.82145	0.5
93.07040	30.1
93.96064	0.5
94.07377	0.8
95.04956	3.8
95.08611	10.3
97.02878	1.0
98.69409	0.5
103.05487	4.8
104.17899	0.5
105.03378	1.2
105.04520	1.5
105.07025	14.3
106.06587	1.0
106.07311	1.0
107.04952	9.1
107.08589	100.0
108.08855	4.4
109.06495	1.9
109.10162	2.1
115.05426	1.0
117.03373	29.3
117.05727	1.4
117.07041	3.1
118.03711	1.4
119.04917	0.8
119.06076	1.2
119.08572	7.7
121.06538	1.2
121.10141	61.6
122.10436	2.8
123.08076	1.5
130.06523	3.1
131.04904	3.4
132.08098	3.2
133.02843	2.0
133.07602	0.8
133.10124	1.4
135.04413	47.3
135.08055	2.2
135.11685	42.9
136.04738	2.1
136.07573	1.4
136.12010	1.9
137.09662	0.5
145.02844	19.1
145.06490	1.4
145.10075	1.4
146.03172	1.2
163.03900	49.8
163.07501	4.1
163.08621	0.9
163.11133	4.0
163.12381	1.8
163.14815	33.7
164.04285	2.5
164.07088	1.7
164.15154	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	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02364	1.1
52.93370	0.8
53.03944	4.2
55.01865	2.4
55.05515	9.8
57.07067	2.9
59.86625	0.7
63.02359	1.2
65.03929	1.9
67.05499	7.3
69.03429	2.8
69.07066	21.7
69.16427	5.8
77.03894	0.9
79.05493	25.2
80.05024	1.8
81.03402	2.2
81.07058	7.8
83.08619	7.9
84.08153	1.8
85.02916	1.0
89.03918	45.5
90.04245	2.4
91.05479	18.6
92.02634	1.3
93.07046	35.0
94.07375	1.3
95.04971	5.1
95.08598	8.6
98.22642	1.5
103.05457	5.7
105.03361	3.7
105.04529	1.9
105.07024	19.0
106.06601	4.2
106.07220	1.0
107.04959	10.5
107.08595	70.3
108.04468	0.9
108.08134	1.3
108.08824	1.2
108.09464	1.7
109.06532	2.2
109.10143	1.6
115.05444	1.5
117.03379	31.3
117.05762	3.6
117.07004	5.3
118.03719	1.3
119.06070	1.3
119.08576	11.3
120.08096	1.7
120.09441	1.2
121.06542	4.3
121.10145	69.1
122.03635	1.6
122.10450	3.5
123.08065	1.4
130.06526	7.2
130.07771	1.5
131.04922	4.7
131.06863	1.1
132.02055	2.6
132.08087	9.5
133.02841	4.0
133.07588	1.2
133.10161	1.3
134.03636	1.1
134.10938	1.1
135.04414	50.3
135.08054	5.0
135.11690	21.6
136.04756	2.5
136.07545	2.9
145.02841	24.3
145.03970	1.7
145.06480	2.4
145.10123	7.4
146.03146	1.5
146.10500	0.8
147.04482	1.0
148.08829	1.0
150.03120	1.3
163.03903	100.0
163.07504	5.4
163.11163	28.2
163.12344	4.6
163.14819	23.5
164.04282	7.1
164.07065	2.9
164.11530	2.4
184.68126	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0706
Annotation	WF 5239
Peak:m/z	Relative Intensity
51.08438	0.3
53.03936	1.6
55.01871	7.2
55.05511	0.5
65.03948	1.3
67.05507	1.5
68.05044	2.1
69.03426	4.7
69.07069	0.9
70.02950	0.8
70.03788	0.2
70.06628	0.2
70.07418	0.5
70.58352	0.2
71.04998	0.4
79.05489	3.3
80.05013	29.4
80.05805	0.8
81.03416	3.9
81.05351	0.6
81.07055	5.6
82.03761	0.3
82.06583	0.5
85.02882	0.4
86.06038	0.4
87.95244	0.2
89.03930	0.9
90.04239	2.2
91.05477	25.1
92.05001	0.7
92.05808	0.9
93.05782	9.9
93.07021	1.5
94.06568	1.8
94.07362	0.8
95.04960	1.3
95.08603	0.5
96.04486	10.4
96.05116	0.5
96.08936	0.4
97.06503	0.3
101.00876	1.7
103.05461	0.5
103.86116	0.3
104.05802	0.5
105.07038	1.2
106.06551	4.7
106.07285	0.4
107.04958	0.7
107.07333	0.8
107.08575	1.6
108.04476	49.7
108.08112	66.3
109.04813	1.1
109.06498	0.4
109.08410	1.5
109.10144	0.4
110.06035	32.9
111.06393	0.7
117.03381	0.4
117.05717	0.6
118.03683	2.5
118.06541	4.8
118.07313	0.5
119.01062	0.2
119.01910	5.0
119.04935	19.8
119.07349	2.5
119.08586	2.1
120.08112	0.6
121.06522	0.7
121.10149	0.7
122.06030	0.7
122.10474	1.5
123.04422	2.3
123.08040	0.9
126.76224	0.2
132.05244	0.6
133.02840	0.3
134.06018	0.7
135.04387	0.7
136.04787	3.9
136.07567	100.0
136.12021	1.0
137.02975	1.8
137.05997	0.5
137.07132	0.3
137.07953	3.2
137.09616	1.0
142.03484	3.3
146.03174	1.8
146.05936	0.3
146.10452	0.4
147.04399	34.2
147.08051	1.1
160.04541	1.3
164.04256	4.7
164.07043	10.6
164.10600	0.4
164.15147	1.1
165.05424	0.9
165.07265	0.4
165.09073	1.1
165.12746	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24046	0.4
65.99307	0.4
69.95305	0.9
69.95699	0.8
82.01435	0.5
82.99842	5.4
89.39536	0.4
89.58222	0.3
93.60736	0.4
93.88929	0.4
100.02496	0.8
101.00887	48.1
102.00945	2.7
119.01926	100.0
120.02002	5.4
124.02467	6.9
137.02959	18.0
138.03110	1.1
142.03506	59.6
143.03621	3.8
152.97261	0.4
160.04565	12.7
161.04695	0.5
165.05151	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01879	0.7
55.05513	0.7
56.96570	2.1
57.74515	0.5
58.03625	0.4
60.40190	0.4
67.05514	0.7
69.03423	1.0
69.64045	1.6
69.64445	0.9
71.01361	3.3
79.05489	1.2
79.42192	0.5
81.03415	3.2
81.07034	1.0
82.01436	0.5
82.99834	3.9
84.96049	0.5
85.02898	1.0
85.06541	0.7
86.06084	1.0
91.05473	1.8
95.04974	1.9
97.02884	1.4
98.97588	7.8
100.02472	0.7
101.00877	46.4
102.00954	2.5
107.04935	0.5
107.92708	0.4
109.06534	1.4
110.97542	0.9
115.02396	1.2
116.98613	1.8
119.01919	100.0
120.01998	5.8
120.08113	1.6
123.04440	0.4
124.02439	5.7
128.98587	0.9
133.03500	0.7
137.02948	20.0
137.05936	1.3
138.03076	1.2
142.03497	64.6
143.02005	0.6
143.03642	4.1
153.94525	0.5
158.99631	0.9
160.04565	16.9
160.05907	0.9
160.95836	0.5
161.02986	1.3
161.04677	0.8
161.06587	0.6
165.05284	1.4
165.10252	1.2
177.00555	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.3
57.44496	0.2
61.46227	0.2
62.78697	0.2
65.03953	1.6
66.24020	0.2
67.05505	0.4
75.94923	0.2
79.05469	0.2
80.05020	1.6
81.07053	0.2
86.06091	1.0
87.04484	1.1
89.03930	0.2
91.05484	30.0
92.05811	0.9
93.07038	0.2
95.04973	1.9
95.08545	0.3
96.68297	0.2
101.00875	0.7
103.05493	0.3
105.07059	0.3
119.01996	1.4
119.04948	57.0
120.05264	2.0
120.06654	0.2
120.08094	1.0
123.04444	1.4
123.08076	0.3
137.05974	0.2
137.07919	0.5
137.09682	0.3
142.03491	0.8
147.04413	100.0
148.04755	4.6
152.88835	0.2
165.05482	0.8
165.06812	0.2
165.09038	0.3
165.10329	0.2
166.08664	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.05511	1.1
65.03946	1.7
67.05511	2.1
68.73484	0.3
69.07072	0.6
71.33188	0.4
79.05496	0.9
80.05021	6.8
81.03420	0.6
81.07064	1.4
86.06058	1.1
87.04476	4.4
91.05484	32.0
91.49802	0.3
92.05824	1.1
93.07042	1.1
95.04955	2.5
95.08607	1.4
101.00877	2.2
103.05468	0.5
105.07027	1.0
107.02253	0.3
107.08601	1.0
109.06506	0.8
109.10156	1.0
110.06033	0.3
113.32820	0.3
117.07084	0.3
119.01948	4.4
119.04946	60.1
119.08572	1.2
120.05295	2.3
120.08099	1.3
121.10154	0.5
123.04434	1.7
123.08073	0.8
123.11729	0.4
137.02943	1.0
137.06041	0.4
137.09621	1.6
142.03500	2.5
147.04411	100.0
147.11678	0.7
148.04741	4.2
160.04543	0.8
165.05450	1.0
165.07014	0.8
165.09119	0.7
165.12726	1.7
166.08661	1.0
176.46275	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03944	0.7
55.05506	0.4
65.03938	1.5
66.00667	0.2
67.05507	0.9
69.03424	0.7
69.27169	1.7
71.29986	0.2
77.03899	0.3
79.05490	0.4
80.05016	10.5
80.05491	0.5
81.07055	0.9
86.06047	0.7
87.04469	6.7
88.87318	0.2
91.05481	30.1
92.05826	0.8
93.07050	0.6
95.04967	5.1
95.08602	0.9
97.58432	0.2
98.06050	1.0
98.54871	0.3
100.82867	0.3
101.00880	1.6
103.05449	0.3
104.54901	0.3
105.07027	0.6
105.27734	0.2
107.08608	0.4
109.06525	0.5
110.06038	3.2
110.09697	0.5
117.07047	0.3
119.01946	4.0
119.04940	58.1
119.08574	1.0
120.05235	1.9
120.08109	1.5
121.06470	0.3
123.04432	7.2
123.08056	0.5
124.02463	0.3
128.30927	0.2
137.02963	1.0
137.05968	0.6
137.09583	0.5
138.09131	4.7
142.03487	2.3
147.04404	100.0
148.04758	4.0
148.07565	0.7
160.04559	0.7
165.05495	1.1
165.09094	0.6
165.12796	0.5
166.05035	0.3
166.08621	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	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
65.03942	1.7
67.05520	1.0
69.03448	0.3
69.07052	0.2
69.25644	1.4
71.04977	0.2
73.82049	0.3
79.05513	1.1
80.05025	3.0
81.03422	1.1
81.07067	0.9
86.06077	1.3
87.04476	2.2
91.05486	32.1
92.05827	1.0
93.07034	1.2
95.04977	2.1
95.08614	0.8
101.00880	1.4
103.05487	0.3
105.07034	1.4
107.08606	0.7
109.06516	0.4
109.10168	0.4
110.06042	0.2
117.07049	0.4
119.01959	4.1
119.04949	60.6
119.08595	2.2
120.05271	2.5
120.08120	1.9
121.06492	0.4
121.10155	0.4
123.04443	1.8
123.08074	0.8
133.02838	0.3
135.04544	0.2
137.02945	1.0
137.04935	0.2
137.05952	0.4
137.09616	0.6
142.03510	2.9
143.03621	0.3
147.04414	100.0
147.07983	1.5
147.11716	0.5
148.04759	4.4
160.04591	0.7
165.05467	1.0
165.06990	0.5
165.09137	1.2
165.10359	0.3
165.12753	1.4
166.08713	0.7
168.79533	0.2
177.28293	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78775	0.2
53.03951	0.4
55.05498	0.2
65.03935	2.2
67.05505	0.8
69.17299	0.7
69.17697	0.8
79.20143	0.2
80.05027	2.3
81.07048	0.6
86.06046	0.3
87.04469	1.2
91.05483	28.7
92.05825	1.1
93.07069	0.2
95.04989	1.7
95.08585	0.4
101.00877	0.9
103.05463	0.2
105.07036	0.7
107.08563	0.6
109.06490	0.3
109.10156	0.6
117.94949	0.2
119.01971	2.0
119.04943	57.5
119.08593	0.8
120.05292	2.3
123.04436	1.8
123.08092	0.2
137.02979	0.3
137.09607	0.5
142.03513	1.1
147.04408	100.0
148.04742	4.3
155.99998	0.2
160.04619	0.2
165.05431	0.9
165.06793	0.3
165.09143	0.6
165.12756	0.6
166.08592	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03949	0.6
56.49258	0.2
56.81377	0.3
58.87458	0.2
65.03940	1.6
67.05508	0.8
69.03452	0.4
69.20610	2.4
69.20955	0.5
79.05495	0.9
80.05022	5.0
81.03441	0.4
81.07069	1.2
86.06061	0.8
87.04478	3.0
91.05488	28.0
92.05829	1.1
93.07050	0.8
95.04975	1.7
95.08612	1.1
101.00887	1.2
101.01492	0.3
105.07050	0.8
107.08587	0.6
109.06538	0.7
109.10114	0.3
110.07311	0.4
119.01987	2.0
119.04951	54.7
119.08572	1.3
120.05283	1.8
120.08113	0.8
121.06513	0.3
121.10130	0.3
123.04468	1.6
123.08073	1.0
137.02960	0.4
137.07938	0.8
137.09583	0.4
142.03513	1.9
147.04416	100.0
148.04765	4.5
160.04665	0.4
165.05481	0.9
165.06966	0.4
165.09119	0.7
165.12796	1.1
166.08673	1.2
180.44817	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0911
Annotation	beta-Thujaplicin
Peak:m/z	Relative Intensity
53.03952	1.0
55.05511	3.5
65.03951	1.3
67.05504	24.2
67.44952	0.4
68.05814	0.6
69.03432	2.3
69.07062	1.4
70.29598	0.8
77.03898	0.4
79.05490	3.9
80.05015	15.6
81.03429	2.1
81.07051	9.5
82.99849	0.9
83.04977	4.7
86.06057	0.9
87.04468	11.8
91.05473	11.0
93.07044	3.5
95.04974	5.0
95.08601	5.6
97.06560	0.4
101.00875	8.7
102.00971	0.4
103.05453	0.9
104.06262	0.5
105.04552	0.4
105.07016	3.1
107.04952	3.4
107.08594	3.2
109.06532	3.7
109.10151	21.2
110.10477	0.9
117.07003	1.6
117.79449	0.4
119.01917	28.1
119.04929	7.6
119.08576	21.4
120.02010	2.3
120.08093	2.2
120.08864	0.7
121.06493	2.2
121.10100	1.2
122.07285	15.8
123.04412	0.5
123.08144	2.4
123.09985	0.5
123.11707	1.0
124.02486	1.3
124.54624	0.4
135.08052	1.0
137.02954	7.3
137.05992	0.9
137.09610	51.5
138.03064	0.7
138.09079	0.4
138.09969	2.5
142.03497	16.1
143.03653	1.6
147.03265	0.5
147.04399	11.6
147.08034	1.3
147.11728	1.8
148.04834	0.5
160.04547	5.1
161.04663	0.4
165.06888	3.2
165.09106	100.0
165.12764	8.3
166.08447	1.9
166.09471	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	165.1275
Annotation	Jasmone
Peak:m/z	Relative Intensity
51.02396	0.7
53.03953	2.1
55.01867	1.4
55.05507	4.9
57.03438	2.5
57.07059	1.4
59.05003	1.2
61.67678	0.6
61.85455	0.6
65.03934	3.8
67.01875	1.1
67.05505	21.7
69.03432	5.8
69.07076	4.3
69.10149	5.2
71.04991	2.1
79.05495	9.9
80.05016	12.7
81.03414	6.6
81.07058	23.9
81.25639	0.6
83.04980	3.1
83.08616	1.9
86.06055	2.0
87.04472	10.4
91.05480	37.7
92.05818	1.1
93.07040	11.0
95.04967	15.9
95.08607	34.0
95.14305	0.7
96.05288	0.8
96.08926	1.2
97.06523	1.3
97.67023	0.6
98.23370	1.6
99.04699	0.8
101.00888	4.7
103.05436	1.1
104.88600	0.7
105.07030	13.6
105.19771	0.6
107.04958	2.3
107.08595	16.4
109.06507	11.3
109.10157	8.0
109.17766	0.7
110.07339	0.9
112.03995	3.3
113.35239	0.7
117.07025	2.1
119.01926	14.0
119.04939	56.3
119.08578	21.7
120.02013	0.9
120.05296	2.9
120.08099	4.6
120.08913	1.6
121.06519	2.7
121.10139	8.0
123.04439	2.2
123.08072	43.9
123.11708	10.4
124.08403	1.0
132.05728	1.2
133.02950	0.8
136.08781	1.1
137.02959	2.9
137.05972	2.4
137.09605	5.8
137.13260	2.9
138.09126	0.8
141.09096	5.6
142.03516	7.3
145.10100	0.9
147.04408	100.0
147.08023	4.8
147.11691	11.1
148.04733	4.8
160.04562	2.3
165.05515	1.7
165.06934	1.6
165.09114	5.9
165.12753	68.3
166.08559	4.1
166.13098	3.0
178.84737	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03938	2.3
55.05515	7.1
56.57913	0.8
57.03428	3.8
57.07078	6.4
59.04992	3.4
65.03934	3.2
66.74000	0.8
67.05508	34.6
69.03436	10.5
69.07072	11.7
70.81435	1.1
70.81773	1.4
71.04991	2.1
75.30760	0.8
75.55467	0.7
77.03922	1.1
79.05496	17.1
80.04997	1.8
81.03419	4.5
81.07056	34.8
82.07385	1.0
83.04992	4.3
83.08615	3.9
87.04465	1.8
91.05486	23.8
92.05749	0.9
93.07046	8.7
95.04971	52.9
95.08612	33.6
95.09239	1.0
96.05299	1.5
97.06514	1.6
101.00783	0.9
103.05495	1.3
105.07035	18.9
105.64948	0.8
107.04951	6.7
107.08600	44.9
108.05770	1.4
108.08918	1.8
109.06522	28.2
109.10152	4.7
110.07308	3.7
111.08084	1.0
117.07010	3.9
119.01916	3.2
119.04936	11.2
119.08585	42.8
120.08113	2.1
120.08925	1.6
121.06500	2.1
121.10144	10.6
122.07329	1.9
123.08071	43.4
123.11706	27.3
129.07008	2.0
132.05688	5.2
135.82860	0.8
136.08858	1.3
137.09604	4.9
137.13246	4.4
140.65219	0.9
141.09134	1.3
142.03462	2.7
147.03337	1.5
147.04417	16.4
147.08052	18.8
147.11703	10.5
148.04773	1.0
150.10365	1.1
155.04443	0.9
165.09128	5.2
165.12761	100.0
166.13083	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03932	3.4
55.01865	3.4
55.05507	8.1
57.03426	4.4
57.07071	6.0
59.04984	3.1
65.03925	4.0
67.05499	45.2
67.45339	1.1
68.05819	1.8
69.03424	10.9
69.07069	10.6
69.17080	10.7
71.04984	2.2
79.05488	16.9
80.05008	8.8
81.03419	13.9
81.06583	2.6
81.07052	41.9
83.04964	3.6
83.08600	2.4
86.06059	3.1
87.04477	6.4
91.05473	41.6
93.07027	11.8
95.04964	45.4
95.08603	50.8
96.08948	1.3
97.06538	2.0
99.85743	1.3
101.00871	8.1
103.05457	2.5
104.58321	1.2
105.07026	22.7
107.04939	4.9
107.08585	41.0
108.05714	2.2
108.08870	1.5
109.05795	1.5
109.06521	28.5
109.10136	7.3
110.07261	2.3
117.03388	1.7
117.06998	4.9
119.01913	20.5
119.04937	41.1
119.08572	39.6
119.09453	1.6
120.05254	1.3
120.08115	8.0
120.08867	2.0
121.06500	4.9
121.10133	12.0
122.07266	1.9
123.04466	2.7
123.08063	55.3
123.11703	26.1
129.06981	2.0
132.05716	3.7
133.02805	1.5
137.02925	3.6
137.05956	1.9
137.09587	8.4
137.13268	7.2
141.09102	5.3
142.03473	15.4
143.03558	1.4
147.04402	65.5
147.08035	16.8
147.11661	9.2
148.04796	3.0
160.04590	2.8
165.04335	1.5
165.05583	1.7
165.09091	8.7
165.12743	100.0
166.08656	3.5
166.13091	3.7
179.13490	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03948	3.2
55.01871	0.5
55.05511	2.1
57.03450	0.4
57.07078	1.2
59.05016	0.5
65.00728	0.3
65.03941	1.1
67.05504	5.5
69.03433	9.3
69.07071	3.0
71.04324	0.7
71.04988	0.8
79.05495	3.3
80.05016	100.0
81.03420	6.9
81.07053	8.3
82.06587	0.4
82.99858	0.5
83.04993	1.5
83.08620	0.4
86.06071	2.1
87.04467	71.7
91.05479	12.9
91.06068	0.3
92.05805	0.6
93.07040	2.8
94.06573	1.0
95.04970	6.6
95.08603	7.9
95.09168	0.6
95.09625	0.3
96.04494	0.6
97.06548	0.8
101.00874	4.2
102.00951	0.4
103.05460	0.6
105.07014	5.5
107.04978	0.4
107.08601	3.6
109.06523	5.9
109.10135	2.6
110.07315	0.7
117.06986	0.5
119.01920	13.4
119.04941	17.1
119.08584	6.7
120.02033	1.0
120.05270	0.6
120.08094	2.5
121.06501	0.6
121.10143	3.0
122.07322	0.3
123.04442	1.0
123.08075	8.3
123.11694	4.5
124.02449	0.5
135.11644	0.4
136.07602	0.8
137.02985	3.7
137.05995	0.5
137.07925	0.6
137.09599	2.2
137.13254	1.2
138.03194	0.3
138.05528	0.4
138.09163	0.7
139.05391	0.3
142.03488	7.0
147.04407	28.4
147.08041	0.8
147.11673	3.8
148.04759	1.7
148.07591	0.4
160.04588	2.6
165.01936	0.4
165.05380	0.9
165.06995	0.8
165.09140	1.9
165.12755	34.7
166.08630	21.0
166.10092	0.5
166.13084	1.4
183.22807	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
53.03957	0.7
55.05517	4.9
57.07069	0.3
65.03940	0.7
67.05509	5.9
69.03430	0.8
69.07075	2.8
71.04984	0.8
79.05489	2.7
80.05023	11.2
81.03420	1.9
81.07055	6.6
82.99846	0.9
83.05005	1.9
83.08640	2.9
83.37856	0.4
85.06555	0.6
86.06066	0.9
87.04470	7.5
91.05491	4.3
93.07061	2.5
95.04972	100.0
95.08595	3.6
96.05301	2.7
98.22620	0.5
101.00878	10.1
102.00962	0.6
105.07030	3.8
107.04974	0.7
107.08604	8.5
109.06525	17.2
109.10162	6.2
111.22234	0.4
117.06998	0.5
119.01922	35.3
119.04929	1.1
119.08591	7.0
120.02013	2.4
120.08105	1.3
120.08932	0.5
121.06478	0.7
121.10168	2.8
122.07295	3.3
123.04434	2.6
123.08078	1.2
123.11709	1.1
124.02484	2.0
137.02972	10.3
137.05994	0.7
137.07991	0.4
137.09624	11.1
137.13260	1.0
138.03050	1.5
138.09970	0.7
142.03506	19.8
143.03606	2.3
147.04411	1.7
147.08029	0.4
147.11693	8.7
160.04565	7.5
161.04674	0.7
165.05243	0.8
165.06873	0.7
165.09128	22.8
165.12762	48.7
166.05026	0.4
166.08624	1.5
166.09729	0.6
166.13055	2.5
167.83856	0.4
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	Unknow
Peak:m/z	Relative Intensity
53.03952	1.9
56.51537	0.4
69.03428	0.6
69.94516	1.5
69.94876	0.4
77.93095	0.3
80.05015	100.0
81.05361	2.4
87.04467	73.3
88.04801	1.6
94.06557	0.5
116.95389	0.3
120.05248	0.4
138.84091	0.3
148.04785	0.9
166.08636	17.9
167.08940	0.6
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	Unknow
Peak:m/z	Relative Intensity
52.97625	0.4
53.03945	2.0
63.59181	0.3
69.03428	0.4
69.75632	0.8
69.76013	1.2
80.05020	100.0
81.05351	2.6
87.04472	72.3
88.04807	1.6
88.17514	0.3
94.06561	0.6
96.04510	0.7
98.22707	0.5
120.05287	0.5
120.08126	0.5
148.04733	0.7
166.08640	18.1
167.09094	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.8
55.05527	0.7
60.84649	0.5
67.05502	0.8
69.07071	0.6
70.64710	1.6
71.90337	0.6
80.05023	100.0
81.05359	3.0
81.07067	0.9
87.04475	71.7
88.04808	1.0
88.47649	0.6
93.07067	1.8
94.06583	1.4
95.08605	2.7
95.99236	0.6
107.08600	1.8
110.00937	0.6
120.02008	0.6
120.08047	0.6
121.10134	0.8
149.92598	0.5
163.03833	0.6
166.08655	19.4
167.08817	0.6
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	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
57.03428	0.3
65.64555	0.2
69.03432	0.6
69.07064	0.3
70.33677	0.5
70.34046	0.5
79.05511	0.5
80.05017	100.0
81.05353	2.3
81.07053	0.3
87.04468	69.5
88.04810	1.1
91.23721	0.2
93.07047	0.6
94.06572	0.8
95.08579	0.3
96.04514	0.7
102.00983	0.5
105.06999	0.3
107.08620	0.6
110.06031	0.6
119.01912	0.3
120.02031	1.0
120.08103	1.0
121.01645	0.4
121.10118	0.3
131.91739	0.2
138.03035	0.2
138.09113	0.4
142.82361	0.2
143.03656	0.7
144.03233	0.4
148.04753	0.6
152.06215	0.3
163.55136	0.3
163.56676	0.2
165.00221	0.2
165.06943	0.5
166.08636	18.3
167.08734	1.5
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	Unknow
Peak:m/z	Relative Intensity
50.69032	0.3
53.03956	2.1
69.03429	0.7
69.15677	2.4
79.05495	0.4
80.05017	100.0
81.05343	2.6
81.07063	0.3
87.04469	70.1
88.04810	1.3
93.07082	0.5
94.06557	0.9
96.04510	0.7
102.00922	0.4
103.00620	0.3
107.08612	0.4
109.06515	0.4
110.06039	0.5
119.01920	0.5
120.02015	0.7
120.08098	0.8
121.01646	0.6
138.09135	0.9
143.03624	0.5
144.03218	0.6
148.04797	0.7
166.08629	19.8
167.09007	0.7
186.02087	0.4
187.85504	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0863
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
69.72697	0.5
69.73074	0.3
79.05482	1.6
80.05019	0.2
82.18333	0.2
83.46782	0.2
85.50950	0.1
91.05460	1.0
93.07048	3.1
98.23241	0.2
103.05470	13.2
104.05798	0.5
107.04270	0.3
107.04953	2.3
118.06541	0.2
119.07333	0.3
120.08105	100.0
121.08455	4.1
129.44809	0.1
131.04930	1.8
132.05290	0.2
149.05986	0.4
166.01979	0.1
166.08629	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
69.03429	0.7
70.26334	1.0
78.03457	0.3
80.05016	100.0
81.05348	2.8
87.04466	69.1
88.04807	1.3
94.06570	1.1
96.04484	0.5
110.25890	0.3
113.24368	0.3
120.08095	0.4
138.09044	0.3
148.04706	0.6
161.90544	0.3
166.08633	18.0
167.08977	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1069
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.16351	0.7
53.03951	3.5
55.01877	1.2
55.05514	14.3
57.03444	0.8
57.07084	1.8
59.05010	3.2
67.05503	5.8
69.03429	2.5
69.07072	41.5
70.07427	0.7
71.30618	1.2
79.05498	19.4
80.05013	2.2
81.03439	0.8
81.05353	2.6
81.07053	10.5
82.07384	0.8
83.04982	2.5
83.08617	3.5
84.96037	2.2
87.04459	1.5
88.04838	1.1
91.05487	13.6
92.05045	0.8
93.07050	80.1
94.07382	3.1
95.04980	3.1
95.08614	12.9
95.09178	1.2
97.06531	7.9
100.11259	0.9
103.00632	2.9
103.05468	2.5
105.04533	1.7
105.07040	25.2
106.06554	2.5
106.07825	2.1
107.06142	0.8
107.08578	4.0
109.06538	1.9
109.10168	0.8
110.06042	1.3
111.11723	8.7
119.08595	4.6
121.01663	7.7
121.10150	100.0
122.05975	0.8
122.10508	3.9
123.08072	5.1
123.11752	0.9
125.09654	1.4
131.61476	0.7
133.07611	3.1
138.05539	1.4
139.02737	2.3
139.11186	3.1
144.03256	5.7
149.09615	14.5
150.05399	1.1
162.04378	1.4
167.07065	1.2
167.08578	1.5
167.10686	29.0
168.06570	3.2
168.11009	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1067
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03945	3.7
55.01874	1.4
55.05514	13.5
56.05817	0.7
56.40451	0.6
57.03431	1.1
57.07060	2.2
59.04996	3.2
59.09617	0.7
65.03927	1.2
67.05510	8.3
69.03437	3.7
69.07067	41.3
70.05846	1.4
70.06181	0.9
70.07386	1.4
71.04985	0.9
77.03909	0.6
79.05495	23.0
81.05312	0.7
81.07053	13.0
82.57758	0.7
83.04983	6.0
83.08612	2.7
85.06541	0.8
91.05476	16.2
93.07043	85.7
94.06583	1.0
94.07377	3.0
95.04955	2.0
95.08604	14.5
97.06529	9.8
97.10133	1.3
103.00629	0.8
103.05465	2.1
105.04479	1.0
105.07030	25.8
106.06593	4.0
106.07823	2.0
107.04959	2.2
107.08598	11.4
109.06526	2.8
109.10160	2.7
111.04437	1.9
111.08068	1.3
111.11713	7.2
119.08580	4.5
121.01657	2.0
121.02866	0.9
121.06505	2.6
121.10142	100.0
122.10471	3.6
123.08072	6.6
123.11707	1.6
125.05939	1.7
125.09621	0.9
131.08566	1.8
133.07645	3.6
138.05479	2.3
139.02754	0.7
139.11169	3.7
149.06075	1.0
149.08527	1.1
149.09621	15.0
150.05518	1.1
150.09932	0.7
167.07079	1.1
167.10681	29.6
167.14392	1.5
168.06569	2.0
168.08015	1.4
168.11026	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03944	5.3
53.55698	0.7
55.01871	4.7
55.05512	83.0
56.05833	2.3
57.03426	2.6
57.07067	3.4
59.04754	1.2
59.05005	10.3
62.49033	0.8
65.03955	3.7
67.05507	20.0
69.03429	26.0
69.07066	12.8
70.06593	60.6
71.05002	4.7
71.08656	0.8
71.29871	0.7
72.08142	0.9
73.06553	1.0
79.05492	21.0
80.05021	6.2
81.03416	1.1
81.04633	0.7
81.05348	4.9
81.07055	23.3
82.06564	1.1
83.04980	100.0
83.08617	39.2
83.09128	1.5
84.04484	0.8
84.05304	2.6
84.08944	0.9
85.02898	1.3
85.06540	9.1
87.04466	5.4
88.04796	3.3
91.05477	11.7
92.04979	0.8
92.05815	1.0
93.05793	1.5
93.07042	25.7
94.06554	3.8
95.04985	4.0
95.08054	1.1
95.08605	13.0
96.04467	1.0
97.02897	2.3
97.06535	7.0
97.10166	13.2
99.08090	1.7
103.00636	1.9
103.05451	1.8
105.04515	0.9
105.07025	10.1
106.06575	5.0
107.04970	3.6
107.08594	37.6
108.04483	1.0
108.08933	1.7
109.02864	1.1
109.06532	5.3
109.10156	20.0
110.03603	1.4
110.06035	1.3
111.04434	2.6
111.08076	29.5
112.08290	0.7
112.08880	6.9
113.09647	3.7
119.08577	1.2
121.01646	6.2
121.02380	0.8
121.02898	1.3
121.05693	1.3
121.06507	7.3
121.08396	1.4
121.10145	32.9
121.11024	1.7
121.23194	0.8
122.06034	2.7
122.09636	0.9
122.10458	1.0
122.49706	0.9
123.04430	1.0
123.08064	4.7
123.11713	9.2
124.07620	0.9
125.06000	6.1
125.06938	0.8
125.09625	15.8
126.05639	1.0
126.06594	1.8
131.08562	1.9
138.05484	2.7
138.09157	1.0
139.02690	2.1
139.07561	1.5
139.09529	0.8
139.11189	4.1
144.03214	4.0
144.67155	0.8
149.02339	1.7
149.04974	1.5
149.06024	1.6
149.07086	1.8
149.09610	8.3
149.13248	5.3
150.05501	2.8
151.06081	1.5
162.04279	1.9
167.03462	1.4
167.04994	0.9
167.05684	1.2
167.07042	8.8
167.08366	2.3
167.08995	1.7
167.10626	6.4
167.14316	32.5
168.06555	6.1
168.10147	1.7
168.13876	2.8
187.55310	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1431
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03947	2.4
55.01876	3.6
55.05510	79.1
56.05843	1.9
57.03437	3.1
57.07070	2.9
59.05000	9.1
62.51977	0.3
65.03915	0.5
67.05502	13.7
69.03429	24.0
69.07064	9.0
70.03764	0.4
70.89823	0.6
71.04988	2.7
71.08642	0.5
73.06532	0.7
73.58266	0.4
79.05487	7.0
80.05008	0.6
81.07052	13.3
83.04977	100.0
83.08613	32.7
84.05290	1.9
84.08939	0.8
85.06544	7.0
91.05473	3.2
93.07037	9.0
94.06587	0.7
94.81510	0.5
95.04970	1.2
95.08601	6.0
97.06531	5.0
97.10169	8.8
99.08094	1.7
105.07040	3.0
106.06564	1.3
107.07861	1.0
107.08590	17.6
109.06528	0.7
109.10151	16.9
110.10452	0.5
111.08077	22.7
112.08878	7.1
113.09694	2.4
119.08566	0.7
121.01637	0.5
121.06516	0.6
121.08416	0.5
121.10142	11.4
121.58571	0.4
123.08089	0.7
123.11705	6.6
125.09621	12.4
126.09952	0.7
131.08534	0.7
138.05504	0.6
139.11157	0.7
149.04938	0.7
149.09616	0.8
149.13248	4.3
167.10643	1.1
167.14301	32.1
168.06557	1.2
168.14648	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
55.01875	3.9
55.05511	78.8
56.05853	1.0
57.03434	2.5
57.07073	4.3
59.05003	8.3
65.03938	1.0
67.05502	18.1
68.05830	0.7
69.03428	20.1
69.07066	10.2
69.24452	3.1
69.24872	1.4
69.69519	0.6
71.04985	4.2
73.06581	1.4
79.05489	8.8
80.05024	1.2
81.05362	1.6
81.07055	15.5
83.04980	100.0
83.08616	28.7
84.05309	2.5
84.08942	1.0
85.06545	7.5
88.04820	0.8
91.05471	5.5
92.05024	0.7
93.05775	1.4
93.07043	15.8
94.06573	1.4
95.04971	1.4
95.08605	12.2
96.04479	0.7
97.06544	4.1
97.10165	8.9
99.08104	1.4
99.91967	0.7
105.04507	0.8
105.07018	3.4
106.06551	4.4
107.04983	0.8
107.08588	20.2
108.08899	0.8
109.06515	1.6
109.10153	15.1
110.10500	0.7
111.04436	0.9
111.08080	21.1
112.08904	4.2
113.09660	2.0
119.08604	1.2
121.01698	0.9
121.06536	0.8
121.08366	0.6
121.10136	14.6
122.06031	1.0
122.10464	1.0
123.08091	1.2
123.11705	6.7
125.05988	1.5
125.09624	12.1
131.08577	1.3
138.05510	3.4
139.11156	0.7
144.03244	1.0
149.06027	1.3
149.09618	2.4
149.13284	5.6
167.07181	1.3
167.08551	1.1
167.10661	1.9
167.14311	30.0
168.06546	3.4
168.07950	1.4
168.14705	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89665	0.5
53.03961	1.8
55.01871	3.4
55.05516	84.1
56.05846	1.6
57.03444	2.9
57.07092	3.3
59.05001	9.1
65.03958	0.9
67.05510	14.3
69.03432	20.9
69.07071	8.6
70.03767	0.6
70.89851	0.8
71.04995	2.3
71.08626	0.6
79.05487	7.1
81.07063	13.4
83.04985	100.0
83.08621	29.3
84.05326	2.9
84.08929	0.6
85.06548	7.8
86.06851	0.6
91.05492	2.5
91.76198	0.6
92.05785	0.6
92.23476	0.5
93.07050	9.2
95.04952	1.5
95.08611	7.5
97.06522	4.1
97.10174	9.4
99.08103	2.0
105.07050	3.3
106.06586	0.9
107.08601	18.2
108.08948	0.7
109.10161	17.0
110.10533	0.6
111.08088	24.8
111.08866	1.3
112.08906	6.2
113.09639	2.3
121.08453	0.6
121.10144	10.8
122.10538	0.9
123.08099	0.8
123.11710	6.9
125.09634	12.4
138.05573	0.9
139.11205	0.9
149.09631	2.3
149.13277	4.3
163.82883	0.5
167.10698	0.8
167.14326	32.3
168.06563	0.8
168.14665	1.6
177.87921	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1748
Annotation	Cermizine C
Peak:m/z	Relative Intensity
55.01876	4.2
55.05505	2.0
56.02207	0.3
56.05035	0.4
56.96565	17.8
57.38729	0.2
58.06590	0.8
59.04993	0.4
63.08221	0.2
64.64983	0.2
65.03941	3.4
67.05511	3.7
67.92510	0.4
68.05003	0.5
69.03426	1.6
69.07076	2.0
69.43754	0.3
70.06592	22.4
71.05008	1.2
71.06911	0.2
71.29118	0.3
71.29521	0.4
71.95253	0.8
72.93752	0.3
74.97588	0.5
79.05492	1.3
80.05028	1.2
80.05831	0.2
81.03394	0.5
81.07053	4.7
82.01376	0.2
82.06570	0.7
82.94875	0.3
83.01342	21.5
83.04961	0.7
83.08608	0.6
84.01672	0.5
84.04497	0.7
84.08863	0.2
85.06538	0.3
86.06066	3.5
91.05479	0.5
93.03404	1.4
93.05769	0.4
93.07031	0.9
94.06068	0.2
94.06568	5.1
95.04975	1.2
95.08604	5.1
96.04485	0.5
96.08110	0.4
97.06525	0.5
98.05412	0.4
98.06055	8.1
98.09692	7.0
99.04418	0.4
101.02371	1.9
105.07034	0.9
106.06618	0.5
107.08580	0.6
108.04468	0.4
109.02894	0.4
109.06499	0.9
109.10149	1.9
110.03689	0.6
110.06062	0.4
111.00796	1.4
111.04448	4.7
111.08067	0.6
112.03967	1.4
114.05507	0.8
115.00694	3.0
122.06028	2.5
122.06874	0.4
122.09649	0.3
123.04427	0.4
123.06806	0.4
123.08072	0.7
123.11720	1.2
125.05993	1.2
126.05517	0.7
126.06610	0.7
126.12796	0.4
133.01723	2.1
138.05435	0.4
139.11229	0.3
140.03441	1.7
140.07059	4.7
141.02257	1.9
141.05476	0.5
141.06895	0.4
143.03783	3.3
145.07092	0.4
149.01230	0.3
150.05446	1.7
150.09142	0.9
151.03879	0.8
151.07558	0.5
151.11238	0.3
152.07069	0.4
157.01683	0.3
159.03290	4.1
161.04858	14.3
162.95833	0.3
163.08112	0.5
163.97754	0.7
168.06590	8.2
168.10231	1.1
168.17471	100.0
169.04991	0.6
169.06424	0.3
169.08656	0.5
169.12222	0.4
169.17821	4.6
177.04324	1.0
179.04451	0.5
179.05913	5.0
184.06410	0.4
187.02798	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01870	1.6
55.05503	2.5
56.96567	100.0
57.03424	0.6
59.05011	1.0
65.03942	26.8
67.05511	5.0
69.03426	2.3
69.07065	1.8
70.06598	4.5
70.09804	1.6
71.04990	2.1
71.06926	2.5
71.95262	5.8
72.96048	1.9
74.97591	3.2
79.05497	3.2
80.05008	0.5
81.03417	1.9
81.07062	7.8
82.06573	0.6
83.04990	1.5
84.96045	0.5
85.02906	0.7
85.06572	1.0
85.94606	1.3
91.05486	1.8
92.05000	0.8
92.98686	0.5
93.03409	8.8
93.05797	0.6
93.07056	1.8
94.06574	0.9
95.04970	3.2
95.08605	5.9
96.04533	0.9
96.08133	1.4
96.99630	0.6
97.06528	1.5
98.06033	1.0
98.09673	1.0
99.04449	0.9
103.95621	0.5
105.07014	2.4
107.04971	0.9
107.08591	1.4
109.02896	1.5
109.06523	3.1
109.10172	2.1
110.03661	4.7
110.06053	1.3
111.04443	35.0
111.08077	5.7
112.04762	0.9
113.06015	0.5
115.00700	15.1
115.05480	0.6
117.93587	1.0
118.94307	0.8
123.04411	1.5
123.08092	3.6
123.11702	1.4
124.07597	4.2
124.11204	0.6
125.05991	8.0
125.06834	0.7
126.03165	0.6
126.05537	0.9
126.09126	1.1
127.07563	0.7
131.00175	0.9
133.01738	14.4
133.02756	0.8
133.06528	0.5
134.06029	0.8
139.00691	1.3
141.02226	9.1
141.05418	1.6
141.06976	1.9
143.03796	16.6
145.01709	0.5
149.01228	3.0
151.02785	2.3
151.03903	6.3
151.05055	1.0
151.07538	5.1
151.08630	0.8
151.11195	1.7
152.07063	2.2
156.03395	0.5
157.01721	1.9
159.03294	23.4
161.04863	84.1
162.05162	1.2
163.97736	1.7
165.81345	0.5
168.17482	1.9
169.01741	1.5
169.04919	2.7
169.06467	1.5
169.08598	1.2
169.09822	1.2
169.12257	1.3
169.17851	2.9
170.08107	2.0
170.09639	1.5
170.11798	0.7
177.04356	6.2
179.05917	26.8
181.98814	1.2
184.06441	2.5
187.01175	1.0
187.02786	16.2
187.04475	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0496
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
53.03938	0.7
55.01853	0.8
55.05510	0.8
56.96567	2.2
60.84029	0.6
63.34993	0.6
65.03940	95.6
66.04270	2.3
66.93315	0.5
67.05495	2.5
69.03432	0.9
69.07081	0.6
70.06601	4.3
70.07383	0.6
70.60760	1.3
71.01325	0.8
71.06928	1.1
72.21767	0.6
79.05480	1.3
81.03428	3.0
81.07041	1.7
82.06616	0.8
85.02911	0.8
85.94609	0.7
93.03404	57.9
94.03751	2.2
95.04954	3.0
95.08604	0.8
96.08118	0.9
97.02911	0.6
97.06569	0.8
105.07001	0.7
106.06551	0.7
107.04979	1.4
108.02106	1.6
109.02872	2.4
110.03665	15.7
110.06002	1.3
111.04441	100.0
112.04790	3.0
115.05492	0.8
123.04420	1.5
123.08075	0.9
124.07587	3.5
124.11211	1.6
125.05994	34.9
126.06329	1.2
127.13068	0.6
134.05998	1.1
136.01587	0.9
138.02985	0.9
141.05501	1.2
142.08598	0.7
151.03908	23.5
151.05003	2.5
152.04221	1.0
152.07088	1.3
154.02660	0.6
163.97768	1.2
169.05017	5.8
169.06410	1.1
170.08131	1.5
170.09608	0.9
170.11755	2.2
177.30721	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0496
Annotation	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
53.00314	0.3
53.03945	0.7
55.01874	0.9
55.05503	0.9
57.03428	0.4
58.33344	0.3
59.06306	0.3
67.05511	0.9
68.19641	0.3
68.99782	3.5
69.03436	0.3
69.07063	1.0
69.68580	0.7
69.68967	0.6
70.06603	1.6
71.04977	0.4
71.06931	0.8
72.71463	0.3
75.49488	0.3
80.02621	0.4
80.05045	0.3
81.03422	0.7
81.07059	2.0
82.06566	0.4
82.07399	0.5
83.04977	0.5
83.65807	0.3
85.02908	0.5
85.06554	0.4
91.05479	0.7
92.05814	0.8
95.04967	0.7
95.08610	1.0
97.02896	1.1
98.03683	3.6
98.06079	0.4
98.23347	0.5
105.07052	0.5
109.02873	1.4
109.06525	0.9
109.10188	0.6
110.06049	4.4
111.00806	27.2
111.04468	0.5
111.08085	0.4
112.01167	0.6
113.06038	0.5
123.08046	0.7
124.07674	0.4
125.02441	0.5
126.03139	31.9
127.03489	0.7
127.07515	0.3
141.05467	100.0
142.05804	3.7
151.07524	0.4
152.10684	1.8
169.04970	43.4
169.14189	0.8
170.05307	1.7
170.08244	0.4
170.11769	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1224
Annotation	Geranic acid
Peak:m/z	Relative Intensity
53.03954	3.4
54.84445	1.0
55.01885	3.6
55.05510	16.9
57.03451	5.6
57.07082	2.0
62.11894	1.2
64.54990	1.2
65.03953	2.4
67.05507	90.8
68.05844	2.6
69.03433	6.9
69.07069	32.2
70.96597	1.2
71.04997	40.0
71.05370	2.5
76.08698	1.2
79.05502	20.6
81.07062	77.8
82.07388	1.7
83.04990	13.3
83.08666	2.5
85.02922	2.2
85.06547	23.8
85.07015	1.8
88.88902	1.1
89.45363	1.0
91.05484	24.9
91.06005	1.8
93.07045	14.1
95.04957	7.4
95.08628	5.9
97.06532	8.9
97.10255	1.3
98.23463	2.4
99.04478	8.0
99.08099	1.8
105.07036	38.2
107.08597	39.0
107.09274	2.2
109.06531	10.3
109.10160	100.0
110.06047	1.4
110.10541	4.1
111.08104	4.0
113.06033	5.7
115.07668	1.3
123.11697	9.9
127.07552	2.6
133.10138	30.8
134.10498	1.8
141.05533	1.3
141.07037	5.5
151.08685	1.7
151.11163	8.8
152.07108	1.9
154.07837	5.3
159.32115	1.2
169.07661	3.5
169.10101	12.9
169.12311	2.9
170.08279	1.6
170.09616	2.0
173.05649	1.3
179.85847	1.4
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
50.20443	0.9
52.47591	0.9
53.03941	2.8
55.01866	2.2
55.05267	1.3
55.05513	13.1
57.03436	5.1
57.07075	22.9
59.05002	5.8
65.03928	2.4
67.05502	41.0
67.06483	1.0
69.03430	40.4
69.07067	21.0
70.03774	1.6
70.06598	1.2
70.07347	0.9
71.04993	29.4
71.29789	1.5
73.06556	1.8
73.31404	1.0
79.05493	22.2
81.03418	1.8
81.07056	100.0
82.07389	2.6
83.04981	19.3
83.08624	5.3
85.02896	6.4
85.06541	92.0
91.05460	5.2
93.05775	1.5
93.07046	10.5
95.04974	14.7
95.08606	20.9
95.18518	1.0
96.08900	1.0
97.06517	8.0
97.10116	1.3
99.04478	5.2
99.08080	3.0
105.07032	9.0
107.06905	1.1
107.08585	13.2
109.06519	29.2
109.10153	62.5
110.06030	1.9
110.06818	1.4
110.10477	1.8
111.08081	14.9
113.05998	14.7
115.05440	1.7
121.10143	21.1
123.08076	16.5
123.11707	70.0
124.07592	2.2
124.08440	1.2
124.12050	3.1
125.09616	4.3
127.07480	1.2
133.10156	5.8
133.88774	1.0
136.08803	1.9
139.05864	1.0
139.11183	19.8
140.11493	1.4
141.05472	2.7
141.06985	4.3
151.07533	3.5
151.11183	28.8
152.07091	1.7
152.11475	1.4
154.07753	1.5
155.08609	1.1
169.05127	1.3
169.06323	4.5
169.07620	4.3
169.10075	2.3
169.12239	65.9
170.08199	1.9
170.09604	1.9
170.12549	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1224
Annotation	Geranic acid
Peak:m/z	Relative Intensity
53.03947	2.2
55.01859	1.5
55.05507	4.6
57.03429	3.0
57.07074	15.5
59.05003	2.6
62.35613	1.3
62.35946	1.5
67.05510	22.0
69.03416	5.2
69.07070	10.2
70.66075	1.9
70.66418	2.5
71.04993	5.9
73.84245	1.1
79.05492	4.0
80.05016	4.9
81.07056	22.0
83.04990	1.5
83.08614	5.3
85.06547	4.5
86.09709	34.0
91.05460	1.9
93.07049	5.2
95.04959	4.0
95.08589	3.9
96.31963	1.2
97.06524	3.0
105.07018	3.0
107.08598	4.8
109.06513	3.7
109.10162	87.0
110.10529	3.2
111.08085	100.0
112.08413	3.8
123.08076	2.2
123.11709	11.5
124.03895	1.4
124.07608	2.6
127.11196	88.0
128.10715	5.6
128.11537	2.7
133.10115	3.5
141.07004	6.1
151.11180	5.1
152.03366	1.5
152.07117	2.2
154.07816	3.2
169.06522	4.4
169.07750	2.5
169.10138	4.3
169.12268	9.4
169.13536	1.7
170.08188	2.3
170.09653	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	170.0813
Annotation	ATF-606
Peak:m/z	Relative Intensity
53.03953	1.0
55.01870	1.2
55.04265	0.6
55.05505	2.3
56.05025	1.9
56.96555	1.0
57.49326	0.7
65.03938	1.7
66.03453	3.9
67.01863	4.1
67.04248	1.4
67.05507	4.9
68.02610	0.7
68.05029	6.0
69.03424	1.0
69.07060	2.1
70.06602	4.2
70.94244	1.4
71.01222	0.9
71.04994	7.4
72.04520	13.4
74.06086	6.3
78.03030	0.8
78.03455	10.9
79.05478	3.2
80.05016	6.3
81.03426	1.7
81.05798	4.1
81.07035	1.2
82.02993	0.7
82.06583	5.5
83.03725	1.7
83.04986	1.3
83.08605	0.8
84.04518	0.9
84.08149	0.8
85.02898	1.4
85.06542	1.5
88.95296	1.0
89.07160	1.7
92.04994	2.5
93.05791	2.3
94.02934	15.1
94.06568	2.4
95.01334	1.4
95.04964	1.0
95.08630	0.7
95.69417	0.6
96.04501	10.7
96.08120	6.5
97.06514	0.8
98.06059	35.6
99.04470	4.1
106.06583	0.7
107.04981	0.9
107.08579	1.0
108.04474	12.3
109.05267	19.2
109.06438	0.9
109.10164	0.7
110.06054	14.4
111.02474	1.2
111.03191	14.7
111.04385	1.2
111.08089	0.9
112.04005	1.4
112.07664	0.7
115.05476	0.8
117.20447	0.6
122.06030	1.3
124.03967	0.9
124.07598	25.8
124.11216	3.1
125.07954	0.8
125.09599	1.1
126.05518	100.0
127.05854	2.4
128.06256	1.2
128.95020	0.7
134.06044	1.1
137.04721	5.5
138.05525	6.7
140.07057	9.5
142.05820	0.8
142.08615	9.6
143.08519	0.9
150.57390	0.6
152.07074	55.5
153.07385	1.2
153.09126	1.0
170.08139	67.3
170.09618	3.8
170.11743	4.8
171.04399	1.0
171.08217	3.2
171.14981	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0812
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
53.03898	1.8
55.01832	1.6
55.05507	5.9
56.04995	1.7
57.03408	0.8
65.03889	1.0
67.05450	2.6
68.02603	1.3
68.05019	4.1
69.03424	3.7
69.07066	9.7
70.06544	2.3
70.94212	1.0
71.04993	11.8
72.04520	3.6
74.06012	0.9
75.42425	0.8
77.76809	0.6
78.03434	1.1
79.05493	5.5
80.05022	17.0
80.05743	0.9
81.03419	3.3
81.05799	7.0
81.07018	3.1
82.06579	6.0
82.07360	1.5
83.03689	0.8
83.04986	3.7
83.08588	1.0
84.04463	1.0
84.08099	2.5
85.02869	1.3
85.06491	2.2
87.04438	0.7
89.07117	2.1
91.05453	1.4
92.04951	2.3
93.05752	2.7
93.07035	3.2
94.02911	1.6
94.06519	2.6
95.04955	1.2
95.08586	1.5
96.04492	6.9
96.08138	6.8
97.02856	0.7
97.06520	1.5
98.06049	8.4
99.04443	1.4
100.03940	2.1
106.06514	0.9
107.08608	3.8
108.03804	1.2
108.04474	14.2
109.05266	37.7
109.10113	2.4
110.06089	8.7
110.06776	1.5
111.03148	1.8
111.04396	1.9
111.08089	4.6
112.07573	1.3
115.05438	1.8
116.98614	0.7
120.54038	0.7
122.06005	2.2
124.03923	2.4
124.07591	42.5
125.07956	0.9
125.09669	4.2
126.05511	3.5
128.06187	3.0
128.95045	0.9
129.07021	0.9
132.69394	0.6
134.02361	1.4
134.05995	1.4
135.08087	0.7
135.11702	1.7
137.04707	1.4
142.08640	13.6
143.04950	1.0
143.08554	2.8
152.07068	100.0
153.07376	2.4
153.09076	1.9
153.12758	1.3
156.09334	3.7
169.06488	0.9
170.04558	1.3
170.08142	52.7
170.09628	6.1
170.11765	1.4
171.04326	1.6
171.08163	6.8
171.10252	1.0
171.11720	2.4
171.14957	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.2
55.05505	0.2
57.07076	2.0
60.04528	0.2
62.54090	0.1
72.04521	1.0
74.58092	0.1
85.09399	0.1
86.06075	0.9
86.09709	100.0
87.09499	0.1
87.10030	2.5
89.07156	0.3
112.69101	0.1
116.10749	0.9
124.07609	0.3
128.06247	0.2
128.10724	18.5
128.64456	0.1
128.95023	0.1
129.11053	0.6
142.12268	0.4
143.08554	0.3
156.09366	0.3
170.08185	0.2
170.09615	0.4
170.11786	2.7
171.11758	0.4
171.14919	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.5
53.63557	5.1
55.05511	34.8
56.96556	11.9
59.84582	3.8
65.03944	5.8
67.05495	14.7
69.03429	7.4
69.07059	17.0
70.03751	4.0
70.06564	4.6
70.54973	11.7
70.94253	17.2
71.01365	6.7
71.04975	6.4
72.04515	65.7
75.45150	3.8
79.05070	6.9
79.05492	100.0
81.03405	16.7
81.07053	25.8
83.04972	67.4
83.08623	16.2
87.04473	6.8
88.95286	12.2
89.07160	30.0
93.07053	4.4
95.04960	17.4
97.06544	19.7
98.97614	20.5
107.04962	67.7
107.08598	4.8
109.02860	9.3
109.06487	9.9
111.04430	33.7
111.08038	8.1
115.05441	5.1
116.05000	5.8
116.05783	9.2
116.98611	14.6
119.36874	4.5
125.05991	18.9
125.07922	8.8
125.09638	9.0
125.11595	4.9
126.05446	6.4
126.09150	9.6
126.12775	8.4
128.06163	12.9
130.96349	5.7
134.97786	4.3
135.04448	8.1
143.05966	10.5
143.08499	5.6
147.96544	6.0
148.97397	9.2
153.05463	9.7
153.06779	5.1
164.58298	4.1
165.97607	6.0
170.28102	4.2
171.05289	26.3
171.07846	31.6
171.12016	10.3
171.14896	21.0
180.91527	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	171.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01083	1.5
53.03937	1.7
55.01685	1.4
55.01877	17.0
55.05508	20.0
56.06139	1.5
57.03436	67.4
57.07076	1.8
59.30044	1.5
67.05502	47.3
69.07066	59.6
71.04977	12.0
72.04510	4.9
79.05479	4.7
79.43983	1.6
81.07059	11.6
83.04961	5.0
83.08613	24.8
85.06549	3.9
89.07145	3.3
91.05473	1.9
93.07066	4.3
95.04948	2.4
95.08568	1.8
95.97807	1.6
97.06528	14.8
98.97575	1.9
107.08559	7.0
109.10152	100.0
111.08083	14.3
115.03820	1.8
115.05434	5.0
122.41634	1.8
127.11191	22.7
128.06203	11.5
129.06964	6.5
141.06989	20.7
142.07729	5.2
143.04918	3.2
143.08545	19.8
153.12761	5.9
155.08521	5.8
156.09338	84.4
157.09673	5.8
171.04292	2.5
171.08012	6.8
171.11684	57.9
171.13751	3.3
171.14975	2.4
172.12086	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	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
55.05518	2.7
59.05027	0.5
62.43084	0.5
67.05514	2.4
70.78800	0.7
70.79147	0.8
71.04982	0.8
72.93771	0.9
76.91412	0.4
79.05503	1.5
81.07053	2.8
83.04986	1.9
84.18660	0.5
91.05481	7.7
93.07035	0.8
98.23307	0.5
101.06017	1.9
105.07031	8.4
106.07419	0.6
111.04460	3.1
115.05446	1.4
116.06243	2.1
116.57117	0.5
117.07032	4.0
119.08586	15.3
128.06238	2.0
129.06996	9.2
130.07796	2.7
131.08566	68.5
132.08907	3.6
133.10153	2.6
142.07797	1.0
143.08556	24.8
144.09358	7.9
145.10124	30.7
146.10443	0.9
155.07045	1.4
156.09341	1.4
157.10097	1.5
158.10909	40.0
159.11203	2.0
171.11687	2.3
173.08156	2.1
173.13258	100.0
174.13605	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	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03943	0.9
55.05511	13.6
59.05007	2.8
65.03939	0.4
65.49783	0.5
67.05503	2.4
69.11467	0.9
69.11871	2.4
71.06110	0.5
72.93786	3.0
76.02207	0.6
79.05494	1.3
81.07051	1.4
83.04980	14.3
87.04461	1.3
89.02377	1.4
90.90408	0.6
90.94828	1.7
91.05486	8.6
93.07060	0.6
95.06102	0.5
98.23372	0.9
99.04468	1.0
101.06016	10.3
102.41500	0.5
103.03284	1.7
103.05460	0.6
105.07029	9.2
105.62420	0.4
108.04406	0.4
108.95825	0.4
111.04440	14.1
113.06010	1.4
115.05442	1.2
116.06237	1.4
117.07011	5.9
119.08575	11.0
120.08863	0.6
127.07547	1.9
128.06206	1.7
129.05493	5.5
129.06993	8.2
130.06659	0.4
130.07770	3.0
131.08565	62.8
131.97392	0.6
132.08926	2.3
133.10146	2.1
137.07146	0.7
142.07730	0.6
143.08559	23.3
144.09355	6.2
145.06534	1.1
145.10121	24.3
146.06030	0.7
146.10419	1.6
149.96057	0.5
150.96800	0.6
155.07031	10.8
155.08394	1.1
156.07318	0.7
156.09322	1.5
157.10106	1.0
158.07361	2.1
158.10910	37.5
159.11574	3.1
167.97160	0.9
171.11710	2.5
173.02328	1.1
173.08157	14.1
173.09630	5.8
173.13257	100.0
174.13741	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	173.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.8
52.46222	0.8
52.78053	0.6
53.03941	1.6
54.37836	0.7
55.05508	15.3
56.05871	0.7
57.03440	0.9
59.05004	5.5
63.02359	0.8
66.97112	0.7
67.05490	1.1
68.99963	6.8
69.03391	0.7
69.07066	11.9
71.06123	0.7
71.08627	92.7
72.08960	2.6
72.93783	3.2
75.02363	3.6
77.03925	6.3
81.07050	1.3
83.04981	14.4
87.04459	1.5
89.03917	7.5
90.94824	2.7
91.05479	2.9
91.78136	0.6
95.04968	0.9
95.06078	0.8
99.04451	1.0
99.08089	45.8
100.08408	2.0
101.03893	2.8
101.06013	10.4
103.03296	0.9
105.04536	0.7
105.07040	1.7
111.04431	18.3
112.04807	0.7
113.06020	1.3
115.05447	0.9
117.03403	1.6
117.07044	1.5
119.04929	2.4
119.08548	1.0
127.07566	1.9
129.03520	1.0
129.04471	5.5
129.05463	3.8
129.06995	1.6
129.12723	4.7
130.07829	0.8
131.04851	0.7
131.08571	7.7
132.02072	0.9
137.07053	0.8
143.08548	2.2
145.02852	1.7
145.06465	1.6
145.10117	4.3
145.61127	0.7
147.04417	1.0
149.96039	1.2
155.07014	9.6
157.03975	3.8
158.07294	0.9
158.10887	2.8
173.02333	100.0
173.08119	12.2
173.09607	2.8
173.13249	9.0
174.02654	7.7
174.12747	0.9
183.71617	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.2
56.05839	1.2
57.07078	48.6
58.06587	0.8
62.02452	62.2
62.48032	0.6
64.13335	0.6
69.18342	5.2
71.15565	0.7
72.04504	0.9
74.02443	0.9
81.07040	0.9
88.03983	4.2
90.05547	2.4
91.05483	3.3
98.22678	1.5
98.98474	8.5
100.07599	1.3
101.06009	0.6
102.05533	0.6
102.06296	0.8
105.07021	2.5
112.04782	0.9
114.05534	0.9
117.07043	0.8
117.55562	0.6
118.08656	85.5
119.08511	3.6
123.11803	0.6
128.06978	0.6
129.06895	0.8
131.08525	1.2
131.61772	0.6
131.97383	0.8
132.08075	1.5
133.10121	3.0
142.07651	0.7
146.11737	1.4
147.11681	1.0
150.96983	0.9
156.07401	1.4
157.10167	1.1
158.09648	0.7
174.05499	1.1
174.14899	100.0
175.07455	0.9
175.11211	3.1
175.15056	4.5
183.56799	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1118
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
51.95155	0.4
53.03930	0.8
55.01864	2.7
55.05510	2.7
57.17264	0.4
63.84034	0.4
65.03957	0.6
67.05507	3.1
69.07072	3.2
70.06598	0.7
70.42059	1.0
70.42424	0.9
71.51344	0.5
77.03923	0.5
79.05490	5.4
81.07063	3.0
83.04960	1.4
83.08613	0.7
84.01128	0.5
91.05477	31.7
92.05806	1.1
93.07034	3.5
95.04974	0.8
95.08595	1.4
98.98460	3.1
103.05459	2.0
104.06219	0.6
105.07025	93.5
106.07341	2.4
107.08600	1.5
109.06499	0.5
115.05417	2.8
116.06252	3.4
117.07009	3.9
119.04900	1.3
119.08577	48.2
120.08910	2.1
121.10133	0.6
128.06204	1.6
129.07004	18.4
130.06471	0.6
130.07343	0.6
131.08562	100.0
132.08882	5.0
133.06497	2.6
133.10124	19.1
134.10461	0.6
141.06956	1.0
142.07774	8.1
145.10150	2.7
146.07314	0.5
147.08034	3.1
147.11684	15.0
157.10114	12.4
158.10460	0.9
160.05208	1.4
160.08910	0.9
160.12527	0.8
175.03885	1.1
175.07677	4.0
175.11177	77.7
175.14783	12.2
176.11565	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1192
Annotation	Amino acid(Arg-)
Peak:m/z	Relative Intensity
53.03957	2.1
55.01874	1.2
55.05523	3.1
56.96301	0.8
56.96568	10.6
57.03432	1.3
60.05652	35.3
60.95860	0.8
61.02926	0.5
69.03435	3.2
70.06595	100.0
70.81468	0.4
71.01359	10.7
71.04988	2.6
71.06921	1.4
71.95276	0.7
72.08155	4.1
73.02922	1.8
75.26781	0.4
81.03423	13.1
82.03735	0.6
84.96036	0.9
85.02915	3.5
85.06553	4.1
85.68743	0.4
87.04446	0.5
88.07624	0.5
91.05476	2.0
97.02896	3.3
97.07642	0.7
98.06059	0.6
98.97588	36.5
98.98449	1.9
99.04472	1.7
99.97916	0.7
101.00880	1.6
101.02415	0.7
103.00665	0.6
103.02442	1.6
105.02145	0.5
109.02894	0.5
110.97570	3.7
111.04430	0.6
111.97780	0.4
112.08722	4.1
113.02386	1.0
113.06014	4.5
114.10297	0.7
115.02377	1.0
115.03892	0.5
115.08743	1.0
116.07095	25.3
116.97289	0.8
116.98632	12.9
117.02093	0.4
117.07483	0.5
119.01905	4.0
119.04957	0.6
119.08553	0.5
120.02000	0.6
121.01682	0.7
121.03558	0.5
124.99129	1.9
127.03913	0.6
128.02356	0.5
128.98592	3.8
129.02039	0.5
130.02824	0.5
130.06546	0.6
130.08803	0.5
130.09767	11.4
130.10715	0.7
131.01933	0.5
133.01697	0.4
133.03455	3.4
134.99670	3.6
136.99155	0.4
137.03004	0.6
141.06535	0.4
143.00174	5.8
144.00536	0.4
144.98189	0.4
145.03445	1.0
146.99634	1.3
147.03117	0.5
147.04376	0.8
151.04512	1.1
153.00645	0.5
155.00185	1.0
156.02145	0.5
156.98082	0.6
157.01694	0.5
157.03569	0.5
157.10854	1.2
158.09250	6.4
158.99651	6.9
159.03110	0.9
161.01271	3.1
168.03612	2.6
170.99698	0.6
171.01346	0.5
173.01294	0.7
174.99185	2.9
175.02841	0.6
175.04541	5.2
175.06163	0.7
175.11920	18.8
176.02379	0.4
176.04640	0.9
177.00714	5.8
185.01318	0.5
193.00237	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	175.1191
Annotation	D-Arginine
Peak:m/z	Relative Intensity
55.01874	0.8
55.05517	0.7
56.05032	1.0
56.96564	5.4
57.03434	1.5
58.99848	0.5
60.05648	35.2
61.02929	0.7
66.37034	0.3
68.05030	0.4
69.03433	1.7
70.06592	100.0
70.98111	1.5
71.01347	0.5
71.04981	2.0
71.06929	2.1
72.05313	0.3
72.08157	4.9
73.02924	1.6
81.03419	1.4
83.04960	0.4
84.08147	1.5
85.01438	0.7
85.02897	2.0
85.06502	0.5
87.04451	0.8
88.07600	0.3
88.99168	0.4
89.00799	0.6
91.05479	1.0
97.02892	1.6
97.07656	0.9
98.06064	3.1
98.97584	4.6
98.98466	4.0
99.04470	0.5
99.11605	0.3
101.00886	4.2
101.02380	0.6
102.00963	0.7
103.00630	0.9
103.02446	2.6
110.97580	1.1
111.04417	0.6
112.07593	0.5
112.08731	4.6
113.07140	0.5
114.05535	0.8
114.10302	0.6
115.02448	1.0
115.05877	0.7
115.08734	1.5
115.09451	0.4
116.01282	0.3
116.07092	27.3
116.98640	1.9
117.07450	0.7
119.01918	12.9
119.08546	0.5
120.01987	1.9
121.01678	1.5
121.03484	1.2
124.99107	0.7
128.98625	1.4
130.08743	0.5
130.09760	12.1
130.12308	0.4
131.01888	1.0
132.02022	0.4
133.01677	0.7
133.03456	5.8
134.99672	0.9
137.02953	4.0
141.06607	0.4
143.00166	0.5
143.01927	1.0
145.03441	1.9
146.99608	0.9
151.04510	2.0
156.98091	0.5
157.03445	0.6
157.10861	1.6
158.08096	2.2
158.09265	6.4
158.99684	0.5
161.01166	0.5
161.02950	2.0
163.02798	0.4
163.04503	0.8
168.03601	0.5
174.99178	2.4
175.02811	0.6
175.04552	8.0
175.06070	0.5
175.07310	0.4
175.11914	18.7
176.04662	0.8
176.06955	0.4
176.09106	0.4
177.00682	0.5
179.04117	0.5
193.00247	2.5
193.05685	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03941	0.8
55.05514	8.0
57.07069	1.1
61.84194	0.5
62.12789	0.5
65.03928	0.5
67.05502	2.3
69.07068	16.2
79.05495	3.9
79.66339	0.5
81.07060	12.2
82.07398	0.5
83.08617	3.0
91.05486	12.2
93.07047	3.1
95.08600	8.7
103.05446	1.1
104.06258	0.8
105.07031	26.5
106.07358	0.6
107.08579	6.0
115.05413	0.9
117.07015	4.7
117.20275	0.5
119.08578	81.4
120.08819	2.9
121.10149	2.6
129.06984	0.8
131.08571	5.4
132.09348	0.7
133.10127	94.0
134.10406	3.8
135.11765	0.7
144.09378	0.7
145.10117	11.7
146.10887	1.5
147.11682	20.1
148.12033	1.1
159.11725	1.4
160.12480	6.5
173.13313	2.7
175.07518	1.0
175.14821	100.0
176.15190	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	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
55.05514	10.7
65.03926	1.2
67.05498	4.3
69.06723	1.1
69.07065	11.9
69.80968	1.4
69.81383	2.2
79.05473	5.2
79.40631	0.6
81.07056	17.5
83.08630	3.7
91.05479	29.2
92.05793	1.0
93.07037	7.9
95.04969	1.2
95.08608	12.1
98.23394	0.9
98.98468	5.5
99.70518	0.7
103.05457	2.1
105.07028	84.9
106.07352	2.5
107.04968	0.8
107.08602	10.4
115.05440	2.4
116.06259	1.4
117.06989	4.9
118.07778	1.5
119.04955	1.6
119.08576	100.0
120.08964	2.7
121.10175	0.8
128.06213	1.2
129.07008	6.7
130.06549	1.0
131.08566	44.3
132.08943	2.3
133.10130	59.0
134.10457	2.4
142.07773	3.2
145.10144	5.5
146.10934	5.3
147.04384	0.9
147.08047	1.8
147.11687	20.6
148.07501	0.8
148.11986	1.1
157.10144	5.1
160.05142	1.1
160.12543	1.3
161.09557	0.8
173.13254	1.6
175.07574	5.2
175.11201	26.9
175.14821	77.8
176.06955	0.8
176.11670	1.3
176.15150	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	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.05514	8.6
57.07056	0.8
57.74396	0.5
67.05499	2.2
69.07070	25.8
69.43297	2.9
69.43582	0.7
79.05492	3.4
79.05888	0.6
81.07061	5.4
83.08622	5.7
88.85643	0.5
91.05481	10.0
93.07045	3.3
95.04966	0.5
95.08614	6.1
98.98461	0.8
103.05481	0.7
105.07031	26.5
106.07341	0.8
107.08583	5.2
114.89231	0.5
117.07006	4.0
119.08583	96.3
120.08892	4.4
121.10156	2.7
131.08578	4.6
132.09291	0.8
133.10133	82.8
134.10411	3.2
135.11656	0.6
144.37823	0.5
145.10118	7.6
146.10826	0.6
147.11691	12.0
159.11673	0.9
160.12502	3.8
173.13263	2.9
175.14827	100.0
175.37595	0.5
176.15164	6.9
177.17126	0.5
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
50.61624	1.2
53.03915	1.4
54.52592	1.1
55.05279	1.2
55.05518	13.3
59.23723	1.1
65.03919	1.4
67.05505	4.5
69.07074	17.4
69.41968	6.6
69.42318	2.0
79.05491	5.4
81.07062	14.8
81.62655	1.3
83.08630	5.9
89.68253	1.3
91.05487	19.8
93.07047	10.7
95.08611	12.4
102.15170	1.2
104.06262	1.4
105.07042	63.2
106.07351	2.8
107.08598	11.8
117.07001	5.6
119.08590	100.0
120.08936	2.9
121.10190	2.6
130.07806	1.3
131.08571	14.5
133.10143	67.2
134.10461	2.7
145.10123	5.3
146.10883	4.5
147.11713	19.3
148.12056	1.3
160.12469	1.5
173.13196	1.3
175.14845	92.3
176.15184	5.6
192.38686	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
50.01603	1.0
51.41148	0.9
53.03931	1.1
55.05509	10.5
57.07053	1.7
62.98838	0.9
64.65787	0.8
67.05495	4.0
69.07065	24.3
69.81828	1.6
69.82195	1.9
79.05498	5.5
81.01178	0.9
81.07053	13.2
81.84025	0.9
83.08625	4.6
89.39999	0.9
91.05480	13.2
93.07035	6.6
95.08604	9.5
98.22622	1.1
100.12936	0.9
103.05441	1.5
105.07030	37.1
106.07350	1.6
107.08589	9.1
109.10065	1.1
116.77909	0.9
117.07014	4.6
119.08577	100.0
120.08810	4.5
121.10162	2.3
121.25967	0.9
131.08575	6.2
132.09280	1.3
133.10126	83.2
134.10475	3.8
135.11684	1.2
145.10091	7.2
146.10852	1.6
147.11673	13.7
156.59021	1.2
160.12477	3.4
170.89308	1.1
173.13303	3.0
175.14821	95.8
175.18849	2.6
176.15161	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	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.05512	4.9
57.07080	0.6
67.05512	2.0
69.07071	12.5
69.19752	3.0
69.50871	0.4
70.06633	0.4
79.05502	3.0
81.07051	9.3
83.08603	2.7
91.05479	9.0
91.06013	0.6
92.05790	0.5
93.07034	3.4
95.08608	6.6
98.98459	2.3
103.05492	1.0
105.07034	22.5
106.07364	1.0
107.08588	4.4
108.08977	0.4
115.05416	0.8
117.07028	2.9
118.07773	0.8
119.08580	57.2
120.08836	2.4
121.10149	1.9
129.07033	1.3
131.08545	5.6
132.09326	0.5
133.10129	100.0
134.10452	4.1
144.92294	0.5
145.10123	5.4
146.10913	1.2
147.04366	0.5
147.11687	9.7
157.10135	0.9
160.12456	2.3
173.13254	1.5
175.03943	0.7
175.07526	1.8
175.11455	3.3
175.14821	63.5
176.15164	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	13.9
56.05835	0.7
60.26413	0.6
65.03940	1.1
67.05496	4.4
69.07065	16.2
69.27748	2.2
69.28159	1.1
70.06586	1.2
70.13897	0.6
77.03934	0.6
79.05493	5.4
81.07056	19.1
83.08632	5.0
91.05476	20.8
92.05787	1.3
93.07037	8.7
94.07372	0.5
95.04937	0.8
95.08047	1.0
95.08606	13.1
98.97586	0.7
98.98463	3.6
100.37668	0.6
103.05457	1.7
104.06244	0.9
105.07027	65.1
106.07349	2.5
107.08594	11.8
109.10138	0.7
115.05463	1.8
116.06287	0.6
117.07018	6.2
119.08577	100.0
120.08850	4.0
121.10138	2.0
129.07001	1.7
130.06529	1.0
131.08565	13.3
132.05702	1.0
132.09329	1.2
132.38969	0.6
133.10123	61.2
134.10420	3.3
142.07764	0.9
144.05670	0.8
145.10127	5.4
146.07208	0.7
146.10907	5.4
147.07994	1.4
147.11681	22.1
148.12059	1.3
158.88669	0.7
160.05197	3.9
160.08714	1.1
160.12466	2.3
173.13284	2.5
175.04030	0.7
175.07513	5.6
175.11349	5.5
175.14821	98.3
176.06981	0.6
176.15192	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	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.1
53.03944	0.2
55.05510	2.8
57.07067	0.3
65.03935	0.1
67.05508	1.0
67.14093	0.1
69.07066	5.1
70.05636	0.1
71.30293	0.1
77.03900	0.2
79.05487	1.6
80.36230	0.1
81.07053	4.8
82.07389	0.1
83.08617	1.0
91.05477	5.0
92.05807	0.2
93.07036	2.3
93.07629	0.1
94.07357	0.1
95.04976	0.2
95.08602	3.6
96.08958	0.1
98.98469	0.7
103.05494	0.5
104.06256	0.1
105.07026	14.0
106.07334	0.5
107.08588	2.4
109.10130	0.1
115.05444	0.6
116.06226	0.2
117.07004	1.7
118.07829	0.7
119.08575	27.8
120.08829	0.8
121.10151	1.0
128.06282	0.1
129.06993	0.6
130.06491	0.1
131.08563	3.7
132.09305	0.3
133.10121	100.0
134.10445	4.5
135.11703	0.2
142.07751	0.2
143.08530	0.1
144.09290	0.1
145.10112	3.8
146.10950	0.6
147.08061	0.2
147.11678	6.8
148.12045	0.3
157.10139	0.4
158.10768	0.2
159.11661	0.4
160.05203	0.1
160.08806	0.1
160.12473	1.6
161.12860	0.1
173.13263	1.1
175.07550	0.4
175.11259	1.3
175.14812	41.3
176.11752	0.1
176.15164	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	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03931	1.3
53.78935	0.8
55.05509	5.2
57.07068	0.7
59.63223	0.7
64.20051	0.8
65.03934	0.8
67.05505	1.3
69.07069	15.4
69.22376	0.7
70.10570	2.9
75.25719	0.7
78.29141	0.7
79.05497	3.5
81.07062	5.7
83.08614	2.3
85.01772	0.9
91.05482	12.0
93.07057	4.1
95.08611	5.4
98.98438	2.3
105.07034	26.2
107.08596	5.8
114.24902	0.8
115.05431	1.6
117.07046	5.6
118.07806	1.5
119.08582	75.0
119.82577	1.0
120.08926	3.1
121.10163	1.4
129.07036	1.4
131.08559	5.7
133.10130	75.5
134.10490	1.4
138.60057	0.8
142.07741	2.2
144.09367	1.7
145.10120	18.3
146.10817	1.0
147.11691	31.3
148.11972	0.8
157.04330	1.7
157.10124	1.5
159.11696	6.7
160.12463	10.0
161.13185	2.2
173.13272	2.5
175.11296	2.0
175.14827	100.0
176.15181	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	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.01873	1.9
55.05514	8.9
65.03934	0.8
67.05497	2.9
69.03427	1.5
69.07067	16.0
70.06589	0.7
70.45351	1.1
70.45676	1.2
78.04709	2.0
79.05496	5.9
80.08303	0.7
81.07057	9.9
83.08636	5.1
91.05479	39.6
92.05809	2.1
93.07037	6.8
95.04945	1.8
95.08601	9.3
98.98460	9.0
103.05451	4.1
104.06261	9.9
105.07031	44.8
106.07339	2.2
107.04956	7.0
107.08591	5.9
115.05443	18.2
117.07011	16.9
118.06561	1.1
118.07327	0.9
119.04930	1.7
119.08578	100.0
120.08885	5.0
121.10144	2.0
127.05417	0.9
128.06209	11.3
129.07002	12.6
130.06508	2.6
131.04932	4.1
131.08562	15.2
132.05705	32.6
132.08940	0.9
133.06053	0.9
133.10126	71.2
134.10406	3.4
142.07736	2.2
143.04880	1.3
145.06470	4.5
145.10130	6.7
146.07248	1.2
146.10843	2.2
147.04396	1.6
147.08040	24.3
147.10588	0.5
147.11662	13.9
148.08376	1.0
155.05984	2.8
157.06445	1.2
157.07645	1.2
157.10071	3.6
158.05890	1.3
160.05196	21.6
160.08836	1.4
160.12418	2.0
161.05536	0.8
173.13284	1.7
175.04042	1.1
175.06004	1.7
175.07541	47.7
175.11188	13.1
175.14821	78.8
176.07835	3.1
176.11543	1.1
176.15149	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	177.0072
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	24.6
57.05696	0.7
64.79407	0.7
69.62185	4.2
71.95260	2.4
74.48030	0.7
75.75100	0.8
81.98286	0.8
82.40837	0.7
98.23293	0.9
98.97589	100.0
99.97912	2.2
101.00886	0.9
103.00655	1.6
105.02174	0.7
115.97511	0.7
116.98628	55.6
117.98963	1.1
118.92072	4.3
119.01911	1.9
121.01688	2.7
131.01881	1.5
134.99664	20.0
135.00641	1.4
135.03233	2.7
136.00044	1.0
136.92166	1.1
136.93124	11.4
140.00174	1.2
153.00725	1.4
154.03461	0.8
154.93198	2.3
154.94232	14.8
160.04556	1.8
161.42561	0.7
172.94214	3.0
172.95439	13.2
173.02968	1.4
177.00952	3.2
177.04279	3.3
190.95071	1.4
190.96304	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	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.02356	0.4
52.19074	0.4
53.03947	0.7
55.01865	0.6
55.05509	1.6
63.02382	1.4
67.05501	1.3
67.90221	0.4
69.07070	3.2
69.84103	0.5
70.63982	0.9
78.04711	4.0
79.05495	3.0
81.03413	0.5
81.07046	2.6
83.08610	1.4
89.03913	50.1
90.04253	1.5
91.05474	5.7
92.05859	0.4
93.07040	7.4
95.04967	1.3
95.08602	5.2
95.52950	0.4
98.98462	2.8
103.05457	3.1
105.03390	1.0
105.07030	1.9
106.04185	3.8
107.08603	8.0
109.10147	1.4
117.03374	85.9
118.02975	0.4
118.03672	2.3
119.08580	1.0
121.06527	2.2
121.10133	9.5
124.05206	1.0
129.04483	0.7
131.04887	0.9
131.08575	2.0
133.07552	0.5
133.10130	1.1
134.03627	9.9
134.10460	0.5
135.04405	6.0
135.08075	0.4
135.11736	2.2
139.08702	0.5
140.27470	0.5
145.02840	100.0
146.03194	3.3
146.62183	0.4
149.02382	0.6
149.05974	25.0
149.09654	0.9
149.10851	0.4
149.13219	0.8
159.08119	0.5
159.11757	0.6
161.35425	0.5
162.03154	1.6
163.03891	2.3
177.05460	23.0
177.09058	1.1
177.12729	3.7
177.16389	6.1
178.05844	0.5
186.05481	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.02388	0.5
53.03945	1.7
54.10411	0.4
55.01884	0.9
55.05514	1.1
55.92855	0.5
56.96572	0.6
61.13507	0.5
62.01595	0.6
63.02376	1.6
67.05504	1.2
69.03430	1.0
69.07062	0.5
69.89255	1.8
75.88329	0.4
77.03938	0.8
78.04705	3.9
79.05495	2.9
81.03440	0.7
81.07053	1.6
83.04966	0.4
89.03918	56.0
90.04267	1.2
90.40968	0.5
91.05479	7.5
93.07043	3.2
95.01353	0.4
95.04945	2.4
95.08559	0.6
96.53892	0.5
98.33877	0.5
98.97591	0.8
98.98494	2.3
103.05467	3.7
104.05002	2.1
105.03373	0.5
105.04501	1.0
105.07040	4.2
106.04182	3.7
106.06547	0.5
107.04969	1.2
107.08615	2.2
109.02908	1.4
109.06505	0.8
115.05489	0.5
116.06297	0.5
116.22781	0.4
116.98647	0.8
117.03380	84.9
117.07008	1.8
118.03691	2.2
119.04958	0.6
119.08580	1.9
120.08935	0.6
121.06509	4.4
121.10151	2.3
124.05189	1.3
129.04503	0.6
129.06967	0.8
131.04936	1.6
131.06906	1.2
131.08574	3.8
133.06487	2.7
133.10120	1.2
134.03636	12.7
135.04427	8.0
135.08040	1.6
135.11656	0.8
144.09297	0.6
145.02846	100.0
146.03201	3.5
147.04376	0.5
149.02333	1.2
149.05978	33.3
149.09631	1.3
150.06358	0.9
150.09061	0.5
159.04425	0.7
159.08066	1.7
159.11670	1.8
162.03168	3.6
163.03903	5.2
167.99496	0.4
177.05466	31.0
177.09010	4.9
177.10365	0.6
177.12666	2.8
177.15428	0.7
178.04929	8.2
178.08627	1.2
186.05463	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.01597	0.6
51.02391	0.7
53.03947	1.1
55.01870	0.9
55.05515	0.7
63.02385	1.2
65.03928	0.7
67.05531	0.5
69.03419	0.8
69.07072	0.8
69.20700	3.3
74.53980	0.4
77.00635	0.5
78.04703	3.2
79.05479	2.2
80.05013	0.8
81.03432	0.8
81.07032	0.6
89.03917	60.8
90.04250	1.4
91.05479	7.9
93.07065	3.7
95.04984	1.7
98.97562	0.7
98.98467	2.1
103.05474	3.4
105.03369	0.6
105.04554	0.4
105.07072	2.6
106.04152	4.8
107.00498	0.6
107.04961	1.4
107.08595	1.8
109.02894	0.8
115.05451	1.0
116.06250	0.7
117.03378	89.5
117.07034	2.0
118.03680	2.4
119.04927	0.8
119.08591	1.1
121.06492	3.1
121.09307	0.5
121.10123	1.7
122.06013	1.1
124.05216	1.2
129.04459	0.7
129.07013	0.7
131.04927	1.2
131.06775	0.4
131.08568	4.5
132.04427	1.0
132.08055	0.8
133.10136	0.7
134.03635	14.6
135.04419	9.5
135.08043	1.1
135.11711	0.8
145.02844	100.0
146.03186	3.8
147.04471	0.5
149.02388	0.9
149.05975	32.5
149.09549	1.0
149.13234	0.8
150.06271	0.9
150.09146	1.3
159.04411	0.7
159.08037	1.7
159.11679	1.9
160.07515	1.5
162.01987	0.3
162.03122	9.4
163.03896	5.6
177.05463	37.9
177.08917	2.9
177.12743	2.8
177.15356	1.1
178.05875	0.7
178.08572	0.6
186.05479	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.02381	2.0
53.03949	7.5
55.01878	2.1
55.05516	19.9
56.96556	3.7
57.03426	3.1
57.07064	6.0
65.03931	2.4
67.05508	44.2
69.03428	28.4
69.07073	12.2
71.04996	76.6
71.08627	1.5
71.28526	1.8
77.03905	3.7
78.04700	2.7
79.05491	22.6
80.05025	2.6
81.03412	3.4
81.07058	78.1
83.04987	9.8
83.08612	2.7
85.06548	17.8
89.03924	32.5
91.05476	39.0
91.06016	2.7
93.03374	1.9
93.07045	34.0
94.06577	2.0
95.01279	1.7
95.04972	9.2
95.08616	16.1
97.02904	1.3
98.06042	1.4
98.97610	8.2
98.98468	16.8
103.05472	9.6
104.05042	7.8
105.04488	2.3
105.07033	45.0
106.04165	2.8
107.04942	4.4
107.08594	51.0
109.02904	1.5
109.06505	6.9
116.98641	7.0
117.03385	47.3
117.07030	19.7
118.03703	1.5
118.06543	2.3
118.96745	2.2
119.05001	2.0
119.05931	1.5
119.08584	68.6
119.96873	1.2
120.08914	2.0
121.02889	4.2
121.06493	18.6
121.09309	2.2
121.10147	32.9
122.06042	1.7
123.08051	3.9
123.11704	10.7
128.06200	1.6
129.06999	14.2
130.07788	2.6
131.04932	11.8
131.08574	34.0
132.08034	1.4
133.06502	3.6
133.10124	16.2
134.03625	7.6
134.09648	1.9
134.10622	1.4
134.99673	3.0
135.04414	5.0
135.08063	25.3
135.11696	45.6
136.08760	1.9
136.12056	1.7
137.09654	2.6
141.12759	19.8
142.07806	1.5
143.08580	2.9
144.09341	25.3
145.02850	58.7
147.08046	5.9
147.11606	1.6
149.02322	8.5
149.05986	27.2
149.07094	2.6
149.09625	13.3
149.13271	18.5
150.05469	1.8
157.10110	2.1
159.04402	4.6
159.08049	8.3
159.11697	78.2
160.12042	1.8
162.03175	3.7
162.10428	5.3
163.03821	1.4
166.18671	1.3
177.01822	2.9
177.05463	27.0
177.06807	2.7
177.09079	11.7
177.10292	3.2
177.12755	100.0
178.04984	30.7
178.06453	2.6
178.08554	2.4
178.12366	1.6
182.69849	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
50.39517	1.0
53.03934	4.6
55.01868	2.8
55.05509	81.8
56.05816	1.0
57.03424	2.2
57.07058	1.1
58.91136	0.9
63.02375	1.9
65.03931	2.7
67.05495	9.0
67.35094	0.9
69.03038	1.4
69.03424	27.2
69.07070	4.9
71.04986	1.7
71.29565	1.2
78.04700	3.0
79.05486	12.7
81.03423	1.8
81.07061	8.1
83.04980	2.2
83.08624	1.3
85.06539	1.6
89.03914	59.7
90.04250	2.5
91.05476	25.2
93.07036	18.0
94.06567	1.4
95.04954	4.4
95.08604	7.7
98.97461	0.9
98.98473	4.0
103.05467	6.4
105.04514	1.5
105.07021	23.0
106.04181	6.3
106.06557	1.2
106.80498	1.0
107.04944	3.6
107.08594	22.3
108.05702	3.0
109.02862	1.1
109.06526	3.2
115.05421	3.0
116.06208	1.0
117.03373	87.8
117.07018	12.6
118.03706	2.7
118.06529	1.6
119.04942	1.1
119.07774	2.0
119.08572	25.0
121.06506	34.7
121.10149	10.7
122.05993	1.6
122.06815	1.1
122.34365	1.1
123.08057	62.3
123.11649	1.1
124.08397	1.7
129.06993	7.7
130.07780	2.7
131.04863	2.9
131.05826	1.0
131.06918	1.8
131.08568	22.5
132.04491	2.6
132.08086	2.7
133.06502	2.4
133.09230	1.2
133.10129	5.3
134.03629	14.9
135.04442	8.3
135.08044	78.9
135.11664	7.0
136.08354	2.1
142.06519	1.1
144.09332	11.5
145.02837	100.0
146.03128	3.4
147.07997	2.3
149.02301	1.6
149.05971	41.3
149.09625	4.6
149.13234	3.5
150.06383	1.7
150.09062	1.3
157.10156	2.5
159.04416	1.1
159.08020	4.6
159.11682	42.5
159.13002	2.1
160.03894	1.2
160.07564	4.5
160.12048	1.3
162.03087	5.8
162.10339	2.4
163.03888	5.2
177.05452	38.2
177.09102	8.5
177.12732	65.4
178.04828	4.8
178.08575	2.0
178.13034	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	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03939	2.0
54.29445	0.9
55.01851	1.2
55.05512	14.6
57.07074	3.3
59.58244	0.8
66.41932	0.9
67.05511	11.7
69.07072	42.2
69.43915	2.6
69.44321	2.4
70.07415	0.9
71.08559	0.8
79.05495	24.0
80.04980	1.4
81.07060	24.7
83.08625	16.4
88.02221	1.2
89.03928	1.5
91.05482	15.0
93.07047	51.5
94.07378	1.2
95.04962	3.2
95.08608	58.9
96.08927	1.3
96.94585	0.9
97.10174	2.6
98.22604	1.9
98.98481	6.2
103.05475	3.1
105.07026	12.4
107.04272	0.8
107.04965	1.9
107.08598	72.9
108.08910	1.9
109.06559	1.3
109.10157	25.4
110.10484	1.1
115.05463	1.0
117.03374	2.5
117.07018	2.2
119.08576	3.9
121.02927	1.0
121.06499	3.4
121.10145	100.0
122.10487	3.9
123.11707	1.9
131.04912	2.6
131.08585	6.0
133.06476	1.0
133.10139	3.1
135.08055	2.0
135.10678	1.5
135.11699	25.4
145.02829	3.5
147.11649	1.3
149.02386	1.9
149.05959	2.6
149.09637	2.1
149.13261	10.8
157.93575	0.9
159.04414	1.2
159.08084	2.8
159.11676	2.5
177.05464	5.6
177.09047	6.2
177.12839	8.8
177.16391	83.5
178.05005	4.2
178.08588	2.6
178.16727	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	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
50.68858	0.4
53.03954	1.6
53.92041	0.4
55.01867	1.7
55.05513	10.1
56.96568	0.5
57.07074	2.1
65.03941	0.9
67.05504	9.1
69.03429	1.1
69.07068	28.4
71.05002	0.9
71.08630	0.5
71.29380	0.6
76.64223	0.5
77.03894	0.5
78.05581	0.5
79.05493	19.7
80.05826	0.5
81.07056	18.4
83.04997	0.5
83.08617	13.6
88.02209	0.6
89.03912	2.2
91.05479	17.7
92.05826	0.7
93.07044	41.8
93.91151	0.4
94.07368	1.2
95.04980	3.0
95.08607	50.1
96.08932	1.0
97.06545	0.5
97.10160	2.9
98.97598	0.7
98.98471	4.6
103.05468	2.2
105.03384	0.7
105.07032	14.2
106.47435	0.4
107.04949	1.2
107.08592	67.3
108.08253	0.4
108.08910	2.5
109.06551	3.1
109.10154	12.6
115.05428	2.2
116.06260	0.9
117.03391	3.7
117.05764	0.6
117.07019	13.2
119.06063	0.7
119.08580	6.3
119.92211	0.5
121.02911	0.7
121.06527	3.5
121.10142	100.0
122.06002	0.5
122.10429	3.6
123.04436	0.6
123.08057	1.2
129.07018	1.6
131.04893	1.1
131.08563	12.0
131.09502	0.8
132.82861	0.5
133.06514	1.3
133.07596	0.7
133.10138	4.0
134.03618	0.5
134.37242	0.5
135.08087	3.9
135.10667	1.0
135.11690	18.9
136.12048	0.8
144.09322	2.3
145.02808	4.0
145.03697	0.4
147.08041	0.7
149.02333	1.1
149.05966	2.4
149.07054	0.9
149.09628	2.8
149.12134	0.9
149.13249	8.2
157.10150	0.5
159.08054	3.4
159.11690	18.8
160.12080	1.1
162.03067	0.7
162.10423	1.0
177.05476	4.8
177.06790	1.1
177.09076	6.0
177.10345	1.0
177.12788	16.3
177.16383	56.1
178.04956	1.0
178.07010	0.8
178.08588	1.0
178.13150	0.7
178.16895	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	178.0499
Annotation	Isalexin
Peak:m/z	Relative Intensity
51.02369	1.3
53.03947	8.4
55.01866	0.7
55.05491	0.4
63.02357	0.4
65.03924	0.3
67.05497	0.6
68.05019	0.4
69.03436	0.4
71.28945	0.4
73.68445	0.2
76.16115	0.3
77.03923	5.4
78.03450	0.3
79.05480	1.5
80.05008	0.4
81.03414	1.3
81.07045	0.8
83.04949	0.4
84.50922	0.3
87.80559	0.3
91.05469	1.0
93.07031	0.8
93.95737	0.3
94.06595	0.3
94.81522	0.3
95.04964	9.6
95.08615	0.7
96.04508	2.3
96.05076	0.4
96.65211	0.3
97.01735	0.3
104.04991	22.5
105.03436	1.3
105.04517	4.0
105.05259	0.6
105.07017	1.6
106.06577	0.4
106.07360	0.3
107.04939	0.4
107.08598	0.8
109.10152	0.3
118.06514	0.3
119.04902	0.4
119.08572	0.9
121.10127	0.4
122.05989	0.7
123.04442	0.4
123.08068	0.3
132.04456	1.7
132.08926	0.5
133.02835	1.2
133.06474	0.5
133.10120	1.2
135.11742	0.4
142.17619	0.3
147.04442	0.5
150.05475	1.2
152.02917	0.3
160.03908	3.2
160.05107	0.4
160.07593	1.0
160.12013	0.5
161.09709	0.5
177.49100	0.3
178.04984	100.0
179.03416	0.8
179.05301	3.2
179.10674	0.4
179.14287	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1227
Annotation	Valerianine
Peak:m/z	Relative Intensity
51.65990	0.3
53.03959	0.5
55.01869	0.5
55.05531	0.4
56.96567	2.7
59.93110	0.5
67.05515	0.9
68.82684	0.3
69.03436	0.4
71.28599	0.3
77.03938	0.4
79.05504	1.4
80.05014	0.6
81.03421	0.7
81.07074	0.6
85.02899	0.4
88.02209	0.6
91.05482	1.8
92.05020	1.0
93.05791	0.3
93.07056	0.8
94.06564	0.7
95.04955	1.4
95.08595	0.6
95.52155	0.3
95.95236	0.3
103.05509	0.5
104.05019	0.9
105.04556	0.5
105.07032	3.7
106.06526	0.6
107.04945	0.4
107.08596	0.7
108.04492	0.4
109.06483	0.5
110.06013	0.3
115.05458	0.9
116.98598	0.6
117.05772	0.6
117.07012	1.6
117.98965	0.4
118.06543	9.4
118.07340	0.7
118.96797	2.7
119.01968	0.5
119.04933	0.4
119.07330	9.6
119.08602	0.4
122.06037	1.0
123.04427	1.1
128.06223	0.4
130.06558	0.7
132.04413	0.7
132.08093	2.3
133.02846	1.4
133.06500	0.9
133.10110	0.7
133.99066	0.3
134.09654	62.1
135.04442	0.4
135.10001	2.1
136.03909	0.6
136.07558	0.8
136.93124	0.4
147.04393	0.5
150.05493	1.1
150.09099	0.5
151.03932	1.1
154.94182	1.0
154.96484	0.9
160.03940	2.1
160.07573	0.5
160.11250	2.2
161.05991	0.9
162.05504	0.5
162.09143	2.3
162.50455	0.3
163.09923	1.3
172.94012	0.5
172.95453	1.7
172.97635	0.4
177.98053	1.0
178.04990	7.3
178.09032	2.3
178.12268	100.0
179.03386	5.4
179.06923	0.9
179.10747	0.7
179.12611	5.2
190.95244	1.0
196.54013	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.034
Annotation	Esculetin
Peak:m/z	Relative Intensity
51.02377	0.5
53.03945	1.0
55.01885	0.4
55.05500	0.2
58.70554	0.2
59.08039	0.3
67.05504	0.8
68.99780	0.3
69.03451	0.3
70.46081	0.6
71.01363	0.2
71.24287	0.3
71.76105	0.2
77.03919	1.6
79.05505	0.9
81.03416	0.5
81.07033	0.3
89.03923	2.4
91.05476	0.5
95.04982	1.5
98.22662	0.2
105.03392	3.8
105.07050	1.3
106.06508	0.3
107.04968	0.5
109.02868	0.8
117.03394	1.0
119.08587	0.4
121.06486	0.3
123.04433	42.5
124.04784	1.3
133.02853	31.7
133.06448	0.5
133.10139	0.7
134.03201	0.9
135.04427	3.7
147.04413	0.4
151.03909	9.9
152.04262	0.3
161.02274	0.4
162.05420	0.3
179.03397	100.0
180.03763	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	179.034
Annotation	Esculetin
Peak:m/z	Relative Intensity
51.02371	0.5
53.03943	1.3
55.01875	0.9
57.03430	0.6
61.65912	0.3
62.51379	0.2
63.02379	0.3
67.05510	1.4
69.03435	1.1
69.07047	0.3
71.04990	0.2
73.02915	0.5
77.03930	3.9
79.05486	2.0
81.03416	0.4
81.07049	0.8
83.04974	0.3
84.04487	0.4
85.02898	0.8
89.03915	5.1
91.05490	2.3
93.07060	0.9
95.04963	2.9
95.08627	1.4
96.05321	0.6
97.02904	0.8
97.06542	0.3
103.05436	0.4
104.04979	0.4
105.03394	8.2
105.04519	0.8
105.05325	1.4
105.07031	3.4
106.06528	0.5
107.04967	2.0
107.08604	1.0
109.06523	0.6
109.10137	0.8
115.03945	0.3
115.05475	0.4
117.03384	3.0
117.06992	0.3
119.04137	0.3
119.04942	1.1
119.08577	2.4
120.02103	0.6
121.06487	0.8
121.10213	0.7
123.04427	16.5
123.08062	0.6
124.04758	0.5
131.08611	0.4
132.08113	0.3
133.02855	37.8
133.06480	1.5
133.10121	2.4
134.03220	1.1
134.05978	0.4
135.04414	7.8
135.05392	0.6
137.05995	0.9
137.09637	0.9
145.03979	1.1
147.03395	0.4
147.04428	0.7
151.03914	1.6
151.07582	0.3
151.11174	0.9
159.48711	0.3
161.02335	3.0
161.05948	1.4
161.09612	1.1
161.13283	0.6
162.05476	0.8
179.03400	100.0
179.05208	6.1
179.10388	1.5
179.14340	1.0
180.03738	3.0
180.06569	1.1
180.10051	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03946	2.9
55.01871	9.7
55.05515	19.0
57.03438	5.3
57.07079	9.3
59.04997	3.2
65.03942	2.7
67.01861	2.1
67.05505	37.3
68.05026	1.1
69.03432	16.2
69.07066	23.0
70.97656	1.0
71.04989	2.8
71.08634	5.6
77.03931	1.5
79.05488	13.3
80.05026	2.2
81.03434	0.9
81.07058	35.3
82.06586	0.8
83.04981	37.3
83.08617	6.5
84.04510	1.0
84.05307	1.0
85.02896	1.3
85.06548	5.6
86.06079	3.1
89.03909	1.0
91.05481	27.6
93.07043	18.9
94.02949	1.1
94.06584	1.4
95.01364	1.5
95.04966	22.7
95.08607	100.0
96.04498	3.1
96.08125	3.5
96.08943	2.3
97.02900	0.8
97.06528	2.3
97.10191	3.8
99.08088	0.9
103.05479	1.9
105.03393	2.8
105.07032	28.1
106.06576	5.8
106.07293	1.1
107.04966	2.7
107.08593	20.6
108.05727	2.4
108.08909	1.0
109.06519	24.4
109.10155	47.7
110.06053	0.8
110.10534	0.9
111.04424	1.1
111.08086	3.0
112.03964	2.9
115.05461	1.7
117.07018	2.2
118.04143	1.5
119.04949	13.8
119.05821	1.3
119.06116	0.9
119.08581	31.3
119.71107	0.6
121.06513	3.2
121.10148	26.3
122.07325	1.4
123.04434	3.2
123.08072	43.4
123.11692	7.1
124.03971	3.2
124.07599	9.3
124.08404	0.9
124.08934	0.9
125.06001	1.4
128.06224	1.0
131.04941	1.0
131.08557	2.2
133.02852	5.2
133.06487	7.3
133.10135	19.5
134.06001	10.0
134.10489	1.0
135.04407	2.3
135.07085	0.7
135.08064	2.6
135.11682	12.0
136.05238	1.6
136.07562	4.1
136.08815	1.2
137.05981	28.0
137.09613	25.4
137.13234	7.0
138.05482	5.3
138.06354	1.1
138.09108	1.8
138.10051	1.1
143.08575	2.6
146.03621	2.5
146.07242	1.1
147.04411	22.0
148.04776	1.0
150.10414	1.3
151.04005	1.2
151.07535	2.1
151.11209	2.9
151.14815	33.3
152.07054	9.3
152.15068	0.9
160.55820	0.8
161.02400	1.0
161.05960	8.6
161.09639	7.3
161.13260	19.3
162.05499	2.4
179.03409	13.0
179.07039	8.2
179.10820	6.2
179.14310	82.0
180.06535	9.3
180.07965	0.8
180.10187	3.3
180.14636	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03944	4.9
55.01874	5.4
55.05270	2.9
55.05511	31.1
57.03442	14.5
57.07071	6.6
59.04988	3.2
67.05511	51.6
69.03442	19.1
69.07069	27.2
69.81141	6.9
71.04998	15.4
79.05071	2.5
79.05500	36.3
80.05036	12.5
81.03413	3.8
81.06587	3.7
81.07061	63.7
83.05000	9.2
83.08609	4.4
85.02905	4.2
85.06549	27.3
89.20455	1.7
91.05487	55.2
93.06479	3.1
93.07052	55.2
95.04977	16.7
95.08612	73.0
96.04485	3.7
96.08135	3.6
97.02890	4.7
97.06535	8.9
98.22744	3.0
103.05489	3.5
105.03400	4.6
105.07040	89.4
106.06608	3.5
106.07332	3.1
107.04962	4.8
107.08604	41.6
109.02912	2.5
109.06532	32.1
109.10161	51.9
111.08089	6.2
117.07023	8.6
119.04969	3.2
119.08597	60.7
119.09448	3.7
120.08897	3.3
121.06521	4.6
121.10147	40.2
122.10502	3.0
123.04401	4.6
123.08076	67.9
123.11716	7.9
124.03951	3.5
124.07607	18.3
124.08926	16.8
125.02362	2.4
125.09617	6.0
127.07433	2.0
131.08546	5.3
133.02876	7.0
133.06490	4.3
133.10146	53.5
134.05997	6.0
135.04440	3.1
135.08047	2.6
135.11700	22.5
136.08926	2.9
137.06046	3.9
137.09616	31.2
137.13257	11.9
138.05511	4.0
138.09114	4.5
146.10942	1.8
147.04427	5.0
151.03896	2.2
151.11182	7.7
151.14833	9.1
152.07071	13.7
152.10736	4.1
155.10677	3.6
159.11719	2.6
161.05956	4.7
161.09615	10.9
161.13274	31.3
162.05511	4.8
162.54051	2.0
179.03387	7.7
179.06892	2.9
179.08527	2.9
179.10741	15.0
179.14322	100.0
180.06583	7.1
180.10190	6.2
180.14671	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	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03957	8.1
55.01862	8.8
55.05276	2.4
55.05516	33.2
57.03428	2.5
57.07065	2.6
65.03936	3.4
67.05508	100.0
68.05825	2.1
69.03411	1.8
69.07073	16.6
71.05002	2.0
79.05498	67.1
81.03422	28.1
81.07060	93.6
82.07365	2.2
83.04985	33.5
83.08625	17.4
85.06541	2.6
91.05483	54.4
93.07046	46.5
94.07406	2.2
95.04977	11.3
95.08612	73.3
96.08952	2.3
97.06535	35.9
97.10138	3.1
99.08088	4.3
105.04503	2.1
105.07034	28.7
107.08594	11.6
109.06528	8.9
109.10157	14.8
111.08083	9.0
111.55927	1.9
113.09662	7.2
115.51884	2.0
117.07018	2.3
119.07778	2.8
119.08585	37.2
120.08929	1.6
121.10141	6.7
123.08063	4.1
133.10149	19.5
135.11700	7.9
137.09673	2.1
155.44540	1.7
161.13222	16.9
179.06377	2.9
179.14314	59.3
180.14554	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	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03938	6.5
55.01865	7.8
55.05515	29.3
57.03439	2.0
57.07079	2.3
65.03931	4.0
67.05505	100.0
69.07069	13.9
69.40054	6.7
69.40455	2.9
71.04980	3.2
76.88983	1.7
79.05494	70.2
79.57178	1.6
81.03416	24.0
81.07057	86.7
83.04980	39.2
83.08624	13.8
85.06527	4.0
91.05483	51.4
93.07046	44.0
95.04964	11.4
95.08609	68.6
96.08941	4.0
97.06527	37.5
97.10133	3.2
99.08096	2.5
105.07029	31.4
106.92075	1.7
107.08593	12.3
109.06500	8.3
109.10165	12.8
111.08083	8.3
113.09629	7.9
117.06999	2.7
119.08582	30.6
121.10154	8.5
122.11656	1.7
123.08034	5.9
131.08482	3.1
133.10152	18.8
135.11688	7.4
157.81165	1.7
161.13252	15.1
179.06395	6.1
179.08466	2.7
179.14310	66.3
180.14685	3.7
191.84438	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0656
Annotation	Antibiotic MH 435A
Peak:m/z	Relative Intensity
51.40917	0.4
53.03946	1.5
55.01878	1.3
55.05519	0.7
56.05031	2.7
56.96548	0.4
57.03434	0.5
67.01866	0.8
67.03512	0.4
67.05500	2.5
68.05029	9.8
69.03428	21.2
69.05347	0.5
70.55843	0.9
79.05493	5.3
80.05013	2.2
81.03437	0.6
81.05818	0.9
81.07056	5.3
82.06582	0.8
84.04501	7.7
85.02908	0.7
86.06071	3.2
94.02935	0.8
94.06562	2.1
95.01330	14.9
96.01644	0.5
96.04491	17.1
96.05113	0.8
96.08128	32.3
97.02891	0.4
97.04813	0.7
97.08468	0.8
98.97576	1.5
106.06555	7.6
107.04963	0.7
108.08173	0.6
110.06045	1.2
112.03967	3.5
116.98631	1.2
118.49126	0.4
122.06071	0.5
124.03966	11.6
124.07589	100.0
125.07891	2.8
128.37656	0.4
129.23378	0.4
130.05032	0.7
134.05103	0.6
134.06027	5.5
134.09531	0.5
134.99609	0.7
135.06793	1.0
136.07588	0.9
137.06006	0.6
138.05470	0.8
152.07065	81.7
153.07419	3.1
162.05544	0.6
163.03922	0.5
180.06549	15.6
181.06844	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0657
Annotation	Antibiotic MH 435A
Peak:m/z	Relative Intensity
53.03950	1.8
55.01883	1.6
55.05541	0.6
56.05043	3.5
56.96557	0.7
57.03439	1.0
58.74792	0.5
67.01871	4.7
67.05505	3.4
68.05037	10.6
69.03436	31.3
69.23183	0.8
69.23587	2.5
70.02936	0.6
72.04527	0.6
79.05503	10.0
80.05021	3.1
81.07068	6.3
82.06593	1.8
84.04517	7.1
85.02910	4.2
86.06084	3.9
87.04479	1.7
90.63905	0.5
91.05493	1.4
94.02943	2.0
94.03487	0.5
94.06583	2.6
95.01337	20.0
95.04974	1.3
96.04499	19.8
96.05112	1.1
96.08140	34.0
97.02903	2.0
97.04845	0.6
97.08457	0.6
98.97592	3.6
106.06562	13.7
107.04958	1.5
108.08165	1.4
109.06535	0.8
110.06048	3.3
111.04476	0.8
112.03978	6.2
112.07616	0.6
113.02358	0.5
116.98619	2.2
120.54730	0.5
122.06036	1.3
124.03973	15.8
124.07603	100.0
125.07935	3.7
127.03897	1.8
130.05028	1.0
134.06027	17.4
134.99661	1.1
135.04434	1.0
135.06808	0.9
136.07590	5.7
137.06003	0.7
138.05510	8.6
145.04999	1.3
152.07079	91.9
153.07442	3.5
162.05525	4.4
163.03917	2.3
180.06569	23.7
180.13878	0.7
181.06958	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34459	2.6
53.03949	3.2
55.01869	13.4
56.90232	2.5
56.96563	3.0
57.03449	16.5
60.04533	3.7
61.02921	9.2
64.77130	2.4
69.03087	4.5
69.03432	52.7
70.06589	2.9
70.90347	6.2
71.04972	2.8
72.04524	13.7
73.02921	11.6
74.05636	2.8
76.98835	2.5
81.03417	6.3
84.04517	5.4
85.02909	100.0
86.03216	2.8
87.04462	3.7
88.04003	6.0
96.04509	3.9
97.02905	27.8
98.06035	2.4
99.04459	9.3
101.02368	8.9
106.06564	3.4
109.02898	6.8
115.03917	6.5
118.59414	2.8
124.03966	6.8
124.07592	10.5
126.05540	3.8
127.03922	68.6
134.06004	7.9
145.04962	29.5
146.48741	3.0
149.04718	2.6
152.07085	11.6
163.05992	2.6
175.02736	4.2
180.06581	9.0
180.10201	5.6
181.02577	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1019
Annotation	(-)-Salsolinol
Peak:m/z	Relative Intensity
53.03938	3.4
55.05520	4.6
57.03442	5.9
59.05001	8.9
60.66378	0.6
67.05484	0.8
68.05005	1.1
69.03423	1.0
73.06557	1.4
76.45600	0.7
79.05505	1.6
80.05019	100.0
81.05354	1.6
82.06577	1.7
83.04987	1.1
91.05492	1.4
92.04984	1.4
93.05798	1.8
93.07030	1.3
94.06557	1.4
95.08620	1.0
96.04491	2.1
96.08135	1.0
98.97593	2.9
107.08602	2.3
109.05258	3.5
110.06051	2.8
116.98611	0.9
120.04482	0.9
121.10171	1.0
124.07614	2.0
124.11240	2.5
134.05995	0.9
135.08026	0.8
137.08360	2.2
138.05498	12.4
152.07097	3.1
152.10709	32.0
153.11121	0.9
180.03821	0.8
180.10197	63.2
181.08838	0.8
181.10606	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	180.102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64177	0.4
53.03951	3.3
55.01880	0.7
55.05515	6.1
56.96577	3.3
57.03442	1.8
57.07084	1.0
58.06602	0.5
59.05002	9.3
65.03947	1.2
67.05498	1.9
68.05025	1.0
69.03432	1.8
69.07063	0.7
70.06598	0.9
71.95267	0.8
73.06554	2.1
79.05489	2.5
80.05019	100.0
81.05362	1.6
81.07057	1.6
82.06569	1.9
83.04980	2.4
83.08624	0.4
84.04528	0.4
85.02893	0.4
85.06547	0.5
91.05497	1.7
92.05008	1.4
93.05804	2.3
93.07036	2.8
94.06576	1.7
95.01315	0.5
95.04969	1.0
95.08602	1.4
96.04501	2.3
96.08149	1.1
97.02874	0.7
97.06525	1.1
98.97588	22.7
105.07044	1.4
106.06573	1.4
107.08594	3.7
109.05283	3.0
109.06497	0.5
109.10168	0.5
110.06059	3.0
111.04446	4.6
111.08085	0.4
112.03940	0.4
116.98626	16.7
117.07018	0.7
120.04494	0.5
120.08103	0.8
120.08929	0.4
121.06464	0.6
121.10137	2.0
122.09669	0.6
123.08092	0.5
124.07599	4.0
124.11206	2.6
125.05990	3.1
134.06015	2.2
134.09653	0.9
134.99661	8.9
135.08069	1.6
135.10406	0.4
135.11708	1.7
136.07591	0.7
137.04741	0.4
137.08353	1.7
138.05508	13.1
139.05869	0.5
140.00192	0.9
145.10126	1.4
152.07146	2.8
152.10707	32.2
153.00737	1.2
153.11044	0.8
158.01245	1.0
163.03879	0.4
163.11185	1.6
180.06859	2.7
180.10197	61.6
181.10477	2.5
181.12242	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	180.102
Annotation	Fusaric acid
Peak:m/z	Relative Intensity
51.49552	0.4
53.03948	3.4
55.01873	0.6
55.05514	6.3
55.87282	0.4
56.96566	1.6
57.03436	1.4
57.07079	0.5
59.05003	9.7
65.03938	0.8
66.42931	0.4
67.05509	2.7
68.05029	0.8
69.03423	1.1
69.07066	0.9
69.35189	0.4
70.24510	1.1
71.05000	0.5
71.95281	0.6
73.06572	2.0
79.05495	4.6
80.05018	100.0
81.05352	1.6
81.05798	2.8
81.07068	2.2
81.96172	0.5
82.06574	2.8
83.04997	2.0
91.05479	1.6
92.05016	1.3
93.05779	2.0
93.07047	6.0
94.06569	3.5
95.04957	0.9
95.08601	3.1
96.04494	2.2
96.08145	0.6
97.06519	0.9
98.06082	0.6
98.97585	15.8
105.07021	1.5
105.07701	0.4
106.06562	0.8
106.36932	0.4
107.04971	0.8
107.08595	4.6
108.08157	0.4
109.05262	2.8
110.06049	3.7
111.04442	1.0
115.05473	0.4
116.98625	9.3
117.07024	2.0
119.07325	1.2
119.08581	1.2
120.04474	0.8
120.08114	0.5
121.06486	0.8
121.08916	0.5
121.10145	1.6
124.07573	1.8
124.11240	2.7
125.05993	3.6
134.05989	0.5
134.09657	18.7
134.99666	3.9
135.04347	0.4
135.07983	0.9
135.10027	0.6
135.11673	2.4
136.11205	1.6
137.08372	1.6
138.05502	10.8
140.00243	0.6
145.10117	1.7
147.06778	1.5
152.07082	1.5
152.10709	30.3
153.00688	0.4
153.11018	1.3
158.01306	0.4
162.09180	1.9
163.11163	3.4
180.10196	60.5
181.10530	2.4
181.12248	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	180.102
Annotation	(-)-Salsolinol
Peak:m/z	Relative Intensity
53.03951	3.7
55.05508	3.9
56.96574	3.4
57.03439	1.5
58.06591	0.6
59.05001	9.0
67.05521	0.9
68.05031	1.1
69.03433	2.1
69.07042	0.7
70.06572	0.7
70.55866	1.2
70.56197	0.5
71.04996	0.5
71.95291	1.2
73.06567	1.3
76.81580	0.5
77.05969	0.5
79.05486	2.2
80.05019	100.0
81.05356	1.4
81.07058	0.7
82.06592	0.8
83.04971	1.6
84.04484	0.9
85.02899	1.6
91.05484	1.0
92.05022	1.6
93.05782	1.8
93.07055	1.5
94.06573	2.7
95.04987	0.6
96.04505	3.4
96.08139	1.8
97.02864	0.8
97.06541	0.6
98.06068	0.8
98.97587	32.1
106.06542	1.5
107.08591	2.1
108.04564	0.6
109.05281	3.2
110.06044	3.2
111.08067	0.6
112.03963	1.1
116.98623	25.3
117.06988	1.0
120.04477	0.8
120.08102	0.8
121.10129	0.9
122.09648	0.7
124.03967	1.3
124.07597	5.7
124.11221	2.3
134.06029	3.1
134.09666	1.1
134.98618	0.9
134.99651	16.3
135.08054	0.6
136.07593	1.3
137.08322	1.4
138.05499	11.9
140.00185	1.2
149.66142	0.5
152.07086	4.4
152.10703	30.7
153.00684	1.9
153.06995	0.5
153.11060	1.1
158.01263	2.0
162.05521	0.7
163.03937	0.7
163.11209	1.0
179.59099	0.5
180.06822	3.2
180.10196	67.4
181.06448	0.8
181.08531	0.5
181.10466	1.9
181.12161	0.9
192.15417	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.086
Annotation	Adriadysiolide
Peak:m/z	Relative Intensity
53.03945	2.7
53.72976	0.8
55.01873	4.8
55.05516	7.5
56.96577	5.1
57.03441	100.0
57.07071	2.4
58.03772	1.4
62.11304	0.7
65.03940	3.0
67.05506	7.3
68.05020	3.4
69.03432	4.6
69.07066	4.8
71.04970	2.2
71.28768	1.2
71.95279	1.1
77.03942	1.4
78.98261	0.8
79.05496	22.3
80.05023	6.8
81.03418	3.7
81.05355	2.3
81.07056	13.7
82.06602	1.2
83.04984	8.3
83.08607	1.4
83.86494	0.9
85.06507	1.2
87.04469	2.0
89.03906	5.7
91.05484	15.7
92.04999	3.0
93.05794	4.6
93.07054	30.2
94.06569	2.5
95.04984	8.4
95.08594	6.6
96.04498	5.1
97.02896	2.2
97.06539	5.4
98.06080	1.1
98.97587	44.0
99.04430	1.4
105.07030	10.2
107.04960	7.2
107.08595	25.1
108.04471	1.5
108.08157	6.2
108.08826	1.3
109.06539	4.1
109.10159	2.4
110.06049	3.4
111.04472	2.6
111.08084	3.8
115.05430	1.1
116.98631	35.9
117.03378	4.7
117.07015	7.8
118.06527	0.8
119.08591	5.8
120.04478	2.5
121.06505	4.0
121.10146	61.1
122.06025	2.2
122.10487	1.9
123.08070	8.3
125.06001	8.5
125.07947	1.4
125.09590	1.5
126.05521	4.3
126.09126	1.6
133.06519	1.0
133.07568	1.9
133.10158	1.1
134.99660	18.4
135.04424	13.8
135.08052	14.2
135.08989	1.5
135.10771	1.6
135.11705	12.6
136.07591	10.5
136.08557	1.4
136.11179	4.1
137.05960	1.3
137.09605	2.1
138.05521	11.1
139.07553	2.4
139.11208	2.3
140.00179	1.2
145.02852	6.2
145.06459	1.1
145.10133	6.4
152.06169	4.3
153.00758	1.7
153.05521	0.9
153.06963	4.8
153.09084	1.7
153.11032	2.2
154.08614	3.0
158.01183	1.3
163.03911	23.4
163.05176	1.6
163.07530	4.1
163.11189	16.4
164.04323	1.3
164.07042	7.5
164.10674	1.4
165.06920	1.5
165.27216	0.9
166.07802	1.7
181.05038	1.3
181.06514	18.5
181.08614	24.4
181.10381	4.6
181.12103	9.1
181.15880	3.7
182.06799	1.1
182.08069	5.9
182.34523	0.8
204.22214	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.4
53.03924	1.5
55.01852	1.0
55.05498	1.2
56.96585	2.5
57.03431	0.7
60.04509	1.2
65.03951	4.8
67.01378	0.4
67.05508	14.2
68.05003	1.7
69.03416	1.3
69.07035	0.7
69.12122	2.8
70.02934	0.5
71.04975	1.2
71.95255	1.0
72.99004	0.5
76.70100	0.4
77.63090	0.4
79.05492	4.9
80.05009	2.1
81.03397	1.4
81.07047	2.4
82.06570	1.0
83.04968	1.3
84.04497	1.0
85.02876	1.1
87.04456	1.7
89.03914	2.1
89.31184	0.4
91.05483	10.1
92.04469	0.6
92.05009	7.0
93.03393	0.7
93.05789	13.4
93.07036	8.5
94.06571	31.9
95.04980	4.3
95.07385	1.0
95.08579	1.4
96.04512	3.3
96.08158	2.1
97.02909	0.7
97.06511	1.2
98.22617	0.7
98.97585	17.4
105.03374	0.7
105.04517	0.9
105.07013	1.3
107.04974	2.4
107.08600	2.5
108.04471	0.7
108.08123	17.3
108.08860	0.9
109.06524	1.2
110.06051	9.3
110.09673	1.5
111.04441	1.8
111.08080	0.6
112.07623	0.9
116.98620	15.2
117.03369	2.5
117.07027	1.3
118.06575	1.2
119.04935	1.8
119.08584	0.7
120.04482	5.0
120.08116	3.8
121.02855	0.5
121.06522	3.0
121.08441	0.8
121.10150	2.4
122.06032	100.0
123.06356	2.0
123.08051	1.0
125.05988	1.2
125.10725	0.5
126.05532	1.1
134.99658	7.9
135.04425	6.5
135.06422	0.5
135.08058	2.4
135.11707	1.4
136.07579	93.6
137.05998	1.5
137.07898	2.1
137.09615	0.8
138.05507	23.2
138.09122	7.6
139.03885	1.7
139.07529	1.1
140.10733	0.4
145.02872	2.9
145.10080	0.6
147.04367	2.2
151.08676	1.0
152.06114	0.5
153.00752	1.0
153.07390	0.6
153.10222	11.6
153.11382	0.8
154.08636	1.7
158.01276	0.9
163.03917	14.0
163.05943	0.6
163.07555	0.8
163.08763	0.5
163.11220	1.9
164.07069	29.7
165.07408	1.3
177.20935	0.4
181.05005	1.0
181.06587	3.5
181.09785	13.9
181.12068	2.2
182.01097	0.5
182.08115	5.6
182.09840	0.5
187.59244	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0971
Annotation	3-Hydroxykynurenamine
Peak:m/z	Relative Intensity
53.03934	2.3
55.01873	1.3
55.05496	0.7
56.96563	1.4
57.03430	0.4
57.07084	0.5
60.04510	1.1
65.03926	3.8
67.05505	14.3
68.05025	1.3
69.03428	1.5
69.07067	0.7
69.15095	2.4
69.15502	0.9
70.06584	0.5
77.03910	0.5
79.02441	0.5
79.05488	2.9
80.05012	1.6
81.07054	2.2
81.08698	0.5
82.06584	1.5
82.20103	0.5
83.04984	0.9
85.02890	0.5
86.06039	0.6
87.04468	2.2
89.03911	2.9
91.05479	10.0
92.05001	5.9
93.05783	10.4
93.07040	8.3
94.06567	26.7
95.04959	3.3
95.06793	0.6
95.07370	1.2
95.08591	1.5
96.04478	2.7
96.08150	2.4
97.06534	1.9
98.97577	11.9
105.03393	0.7
105.04530	0.7
105.07023	1.2
107.04946	2.9
107.08598	2.2
108.04484	1.0
108.08115	15.9
109.06519	1.0
109.08413	0.6
110.06036	6.2
110.09679	1.6
111.04389	0.9
112.07606	0.9
116.98620	7.5
117.03393	4.7
117.06999	0.7
118.06545	1.5
119.04955	2.1
119.08580	0.5
120.04469	3.3
120.08093	1.9
121.06502	2.0
121.08433	0.9
121.10139	2.0
122.06027	100.0
123.06325	2.5
123.08070	0.5
125.06015	1.0
126.05517	0.9
134.99646	4.1
135.04431	7.7
135.08057	1.8
135.11702	1.0
136.07576	95.3
137.05952	1.2
137.07938	3.2
138.05499	13.1
138.09106	5.6
139.03929	0.7
139.07521	1.1
140.10695	1.1
145.02838	4.1
145.10190	0.7
147.04391	1.9
150.12819	1.0
152.06192	0.5
153.07237	0.7
153.08978	0.6
153.10216	12.9
154.08627	1.3
163.03903	18.4
163.05923	1.0
163.07529	0.7
163.11139	2.4
164.04228	0.8
164.07060	25.9
165.07419	1.0
181.04964	0.6
181.06561	1.9
181.09721	11.8
181.12254	1.7
182.04453	0.8
182.08160	3.7
182.09692	0.5
182.11617	0.6
200.78734	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01878	1.6
55.05513	1.7
57.07077	20.7
59.05009	2.6
65.97417	0.7
67.05509	1.3
69.03446	1.4
69.07072	3.1
79.05505	7.7
81.03436	5.5
81.07060	2.8
83.04984	42.8
84.05303	1.0
85.06564	1.5
91.05490	3.3
91.72398	0.7
93.07050	7.2
95.04972	15.0
96.70181	0.7
97.06530	20.3
98.22620	1.5
98.97575	1.5
105.07043	5.8
107.04950	1.3
107.08592	11.4
116.98630	2.0
117.07047	1.2
119.08582	4.3
121.06502	2.3
121.10151	11.7
122.07154	0.7
122.10469	1.0
125.05991	57.8
125.85921	0.8
126.06277	1.8
130.07794	2.0
134.99649	0.7
135.11697	6.1
143.08533	0.9
143.37489	0.7
145.10124	11.9
147.08034	0.9
148.08850	0.9
163.11186	100.0
164.11490	5.4
166.07886	0.8
181.06044	1.2
181.12239	29.4
181.13864	1.5
182.12624	1.6
192.69304	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
52.35740	0.7
53.03965	1.4
53.58258	0.7
53.75782	0.6
55.01865	1.2
55.05528	2.2
57.03432	0.8
57.07077	18.5
57.07346	1.0
59.05017	2.0
67.05508	1.2
68.98459	7.5
69.03434	1.5
69.07066	3.9
79.05500	9.1
81.03426	4.8
81.07053	4.7
83.04984	46.7
84.05366	1.1
91.05505	3.0
93.07037	6.6
95.04971	16.7
96.05294	0.8
97.06538	23.4
97.07152	1.5
98.97585	2.3
105.07005	5.2
107.04974	2.0
107.08599	12.0
109.06557	0.8
113.75353	0.8
116.98608	1.4
117.07010	1.8
119.08566	3.7
121.06532	2.4
121.10146	12.9
122.10503	0.9
125.05993	57.4
126.06346	1.7
130.07790	2.5
134.99796	1.0
135.08083	1.0
135.11693	5.3
145.10120	11.2
148.22255	0.9
163.11183	100.0
164.11557	5.0
181.06099	1.6
181.12228	31.6
182.12547	1.3
201.90372	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03948	1.6
55.01867	1.2
55.05509	2.5
56.96563	0.7
57.07081	0.6
65.03943	0.7
65.91278	0.4
67.05517	3.4
69.03427	0.6
69.07059	1.7
69.19990	1.1
69.20403	1.9
71.04987	0.9
73.56838	0.3
77.03934	0.4
78.08569	0.3
78.50615	0.3
79.05499	16.4
80.05045	0.4
80.05870	0.4
81.03421	0.5
81.07060	17.8
82.07404	0.4
83.04990	1.0
87.04480	0.9
91.05496	6.1
92.05022	0.4
93.07048	25.5
93.53622	0.4
94.07367	1.1
95.04980	1.4
95.08594	2.1
97.06530	2.5
98.97582	5.9
103.05473	0.8
105.04524	0.4
105.07037	11.0
105.32441	0.4
106.07822	0.5
107.04974	0.8
107.08604	13.8
109.06519	0.6
109.10126	0.7
110.06072	0.6
111.08093	0.5
114.76951	0.4
116.98612	2.4
117.03410	0.7
117.06994	1.7
119.08586	6.3
120.04388	0.4
121.06538	1.2
121.10149	100.0
122.10474	3.2
123.08064	1.7
125.06001	0.5
133.06718	0.4
133.07603	2.0
134.99693	0.6
135.04428	1.0
135.08096	1.7
135.11702	13.8
136.07626	0.8
136.12076	0.6
137.09619	0.4
138.05492	1.3
139.07571	0.6
139.11201	0.7
145.02849	0.5
145.10127	5.6
149.02342	1.9
163.03938	3.4
163.11206	6.2
181.06520	1.5
181.08662	1.3
181.10686	0.5
181.12225	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	182.0812
Annotation	3-azaniumyl-3-(4-hydroxyphenyl)propanoate
Peak:m/z	Relative Intensity
53.03955	2.0
55.01875	1.2
55.05519	1.8
65.03932	4.7
67.01881	0.8
67.05505	17.7
68.05042	2.5
68.05859	0.9
69.03429	2.0
69.07063	1.2
70.92349	1.2
71.05004	1.6
77.03938	0.9
79.05505	3.2
79.64379	0.6
80.05008	3.2
81.03416	0.7
81.07048	5.5
82.06580	1.3
82.43303	0.6
83.04984	2.0
84.68385	0.6
86.06071	1.8
87.04466	3.1
91.05486	10.6
92.05003	5.1
92.05838	0.9
93.05777	12.3
93.06404	0.6
93.06515	0.9
93.07032	8.9
93.83807	0.6
94.06567	31.2
95.04983	3.1
95.07360	1.3
95.08619	2.3
96.04475	6.9
97.06541	1.5
98.06046	0.8
98.97568	1.5
98.98458	1.9
99.04456	2.6
107.08559	0.9
108.04481	1.9
108.08112	70.2
109.06527	2.5
109.08414	1.1
109.10152	1.7
109.13455	0.7
110.06042	6.9
110.09699	1.1
111.06809	1.1
112.07613	1.9
116.98563	1.2
118.06544	1.4
119.04919	2.1
119.08582	1.4
120.04465	4.1
120.08096	2.1
121.06475	1.7
121.10163	0.8
122.06023	57.1
122.10475	1.7
123.04408	0.7
123.06880	0.8
123.08073	1.4
126.05501	5.1
126.09150	4.4
127.03900	1.2
134.99692	0.9
136.04745	1.9
136.07567	100.0
137.05966	1.1
137.07909	2.8
137.09601	2.6
138.04437	1.0
138.05490	15.2
138.06508	1.1
138.09077	1.7
140.07024	2.3
146.03200	1.2
147.04408	0.9
154.08618	67.3
155.08797	2.2
160.04483	0.7
164.04306	3.5
164.07065	16.6
164.10699	2.0
165.07011	1.5
182.00926	1.1
182.04462	1.6
182.08107	27.5
182.11606	1.2
183.08130	2.5
183.10120	1.7
183.11563	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0813
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
50.03764	0.9
53.03942	3.3
55.01855	4.1
55.05513	1.9
57.03427	1.1
65.03930	1.9
67.05504	4.6
68.05034	4.2
69.03436	4.4
69.07068	1.7
70.06597	1.0
70.56302	1.8
71.04986	1.6
79.05491	3.3
80.05025	11.8
80.05788	0.9
81.03407	1.6
81.07058	5.5
82.06609	1.2
82.07432	0.9
85.06525	1.2
86.09708	1.6
86.69872	0.8
86.76500	0.8
87.04475	10.1
87.04973	1.2
91.05482	8.5
92.04975	1.8
92.05830	1.2
93.05802	5.9
93.07036	4.5
94.06576	3.6
94.07378	2.5
95.04958	1.7
95.08604	2.3
96.04491	21.4
97.02924	1.1
97.06549	2.1
98.06095	1.8
98.97555	1.3
98.98457	2.1
106.06570	2.8
107.04926	1.2
107.08592	1.4
108.04481	25.4
108.05220	1.4
108.08119	41.7
109.04800	0.8
109.06521	0.9
109.08477	1.0
109.10171	1.8
110.06043	23.3
110.06770	1.4
112.08396	1.0
116.98627	1.3
117.05712	0.7
117.98942	0.8
118.06568	1.3
118.07327	1.3
119.08614	2.0
120.04464	1.4
120.08947	1.0
121.06512	0.9
121.10172	1.2
122.06039	2.5
122.10476	4.3
123.04441	0.8
123.08086	3.2
125.05978	2.0
126.05509	4.3
126.09093	1.2
136.07571	100.0
137.05986	1.1
137.07950	3.8
137.09662	1.3
138.05513	6.4
140.07007	1.4
140.10707	2.1
150.01608	0.8
154.08582	1.7
155.08638	1.5
164.04213	1.1
164.07060	35.5
164.11595	1.8
165.07230	1.8
175.15388	0.8
182.00943	1.4
182.08046	5.0
182.11787	2.4
183.08043	1.8
183.11826	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0814
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
53.03941	3.3
55.05502	4.4
58.02951	2.6
65.03927	4.2
67.05509	17.9
68.05024	4.4
68.59991	1.2
69.03436	2.1
69.07057	4.2
70.18053	3.6
79.05497	25.7
80.05019	3.7
80.05833	1.4
81.07063	41.1
82.06584	2.4
82.07389	1.2
83.08626	2.4
84.08168	1.8
84.76004	1.3
86.02425	5.0
87.04469	3.7
91.05472	4.4
92.04972	3.0
93.05811	8.7
94.06577	2.8
95.04995	6.8
96.04477	3.9
97.05270	1.8
97.06523	10.0
98.06048	4.5
98.09693	3.4
102.01107	1.4
106.06525	1.8
107.07330	4.3
108.04438	1.7
108.08124	67.5
109.06506	7.1
110.06035	6.2
118.06535	5.0
120.04479	3.0
121.05258	4.1
122.06042	2.0
125.05993	29.7
126.05526	34.6
126.06358	1.7
126.09158	18.5
136.07584	100.0
137.07910	2.2
138.05522	8.2
140.10710	1.5
141.05463	1.6
153.05461	1.5
153.07898	2.6
154.07367	1.2
154.08632	28.3
164.07071	88.2
179.91263	1.2
182.08136	78.1
183.08473	2.2
204.77481	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0813
Annotation	3-azaniumyl-3-(4-hydroxyphenyl)propanoate
Peak:m/z	Relative Intensity
52.24402	0.5
53.03941	0.9
53.96106	0.5
55.01885	0.6
55.05503	1.3
56.96570	5.0
57.03430	0.9
60.95861	0.5
65.03944	13.8
67.05508	2.5
68.05027	4.8
69.03441	3.1
70.06587	0.6
70.54115	0.6
70.54449	1.0
79.05491	0.6
80.05031	3.5
81.03403	0.7
81.07040	1.2
82.06580	5.1
83.04984	0.9
83.08611	0.8
84.96027	0.7
85.02898	0.9
86.06075	6.2
87.04478	7.7
91.05496	2.7
92.05009	27.4
93.05795	35.2
94.06574	18.6
95.05003	1.0
96.04496	17.1
97.02905	1.4
97.04819	0.7
97.84550	0.5
98.06024	0.8
98.09683	1.4
98.97593	5.8
98.98471	1.3
99.97929	0.8
100.41625	0.6
106.06542	0.6
108.04488	2.1
108.08114	9.6
110.06046	29.1
110.97596	0.6
111.06409	1.0
114.10108	0.5
116.98640	3.0
117.98964	1.0
119.01814	1.1
119.04959	0.8
120.03607	1.0
120.04475	18.4
120.08110	2.1
121.04882	0.6
122.06028	2.2
123.06720	0.8
124.07600	0.9
126.05572	1.2
126.09176	1.0
128.02283	0.8
134.99680	1.1
135.99965	0.7
136.07581	17.6
137.02797	0.5
137.06049	0.8
137.07060	0.9
138.05507	100.0
139.05856	2.2
140.07074	0.6
150.05490	3.9
152.76794	0.5
154.08618	2.7
157.32045	0.5
158.99655	1.7
160.04544	1.1
164.07083	2.7
168.05510	0.6
177.00713	1.7
182.00928	0.8
182.04543	0.7
182.08125	14.8
182.11777	1.5
182.19069	2.1
182.99754	0.5
183.08583	0.8
201.00739	0.8
201.04434	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0813
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
53.03942	2.9
54.03459	0.8
55.01859	2.3
55.05513	0.9
55.95047	0.8
56.96340	0.8
56.96568	6.6
57.03423	2.0
60.12176	0.7
61.78209	0.7
65.03945	1.8
67.04228	0.8
67.05492	3.0
68.00471	0.7
68.05030	24.7
69.03432	14.8
69.07070	1.4
69.91641	3.2
70.06586	3.2
71.04989	1.4
71.95268	0.8
79.05486	2.3
80.05014	13.6
81.03414	1.2
81.07053	4.6
82.06580	1.0
83.04987	0.7
85.02900	1.3
86.06068	38.0
87.04471	46.6
91.05475	8.0
92.05000	1.3
93.05783	7.9
93.07029	1.0
94.06573	10.6
95.04976	1.8
96.04493	100.0
96.08126	1.9
97.02897	2.3
97.04811	1.7
97.06545	0.8
98.06055	5.8
98.09707	0.7
98.23263	0.8
98.97585	3.7
98.98465	2.6
99.44601	0.7
99.97904	1.0
106.06565	4.5
107.07330	1.0
108.04478	10.5
108.08117	52.8
109.06521	1.9
109.08452	1.5
110.06046	10.6
114.05531	3.0
116.98642	1.5
117.99031	1.0
118.06547	2.1
119.01937	1.4
119.08577	0.9
120.04469	1.2
122.06039	10.7
123.06810	0.9
124.07596	8.6
124.86747	0.7
126.05511	8.7
126.09143	3.7
133.02783	1.1
134.06053	0.9
134.99675	1.3
136.07578	90.9
137.05995	1.6
137.07936	3.0
138.05518	4.4
140.07109	0.8
140.98581	0.9
150.05550	2.1
152.07089	1.5
154.08624	12.8
154.09790	1.2
154.12250	1.0
158.99672	3.1
164.07065	13.5
177.00735	3.1
182.00946	1.7
182.04393	1.4
182.08134	13.8
182.11717	4.5
196.94547	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.154
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
55.05511	8.2
57.03441	1.5
57.07064	3.6
58.02961	35.9
65.03941	1.0
67.05504	23.6
68.05807	1.4
69.07065	59.6
70.06585	1.4
70.07381	1.2
74.06082	1.3
77.17077	0.9
79.05490	5.7
81.07054	20.7
83.04967	1.9
83.08616	6.3
84.08133	9.2
84.13690	0.8
86.06051	1.3
91.05464	3.4
93.07035	11.5
95.04946	1.7
95.08603	7.3
97.06515	4.1
98.06038	2.9
98.09681	1.9
98.22617	1.6
98.97564	2.0
99.97884	1.1
100.07611	7.0
105.07024	13.0
107.08588	17.8
109.06501	2.6
109.10149	47.4
110.10488	1.6
112.07570	2.1
114.09164	13.8
119.08578	1.7
123.11692	6.4
126.09152	11.7
126.12720	1.6
128.10657	1.1
133.10118	28.1
134.10455	1.6
135.11679	19.5
136.11967	1.3
137.13194	1.0
138.12769	21.5
140.10692	1.5
140.14310	1.6
147.11688	3.2
151.11172	9.9
153.12730	13.2
154.15846	1.5
164.14323	1.8
165.12749	2.8
182.15399	100.0
183.15710	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.01875	11.2
55.05518	1.6
56.02231	0.8
56.96569	9.6
57.03440	35.2
58.03767	1.7
58.06596	1.9
58.99872	3.6
59.05009	1.4
60.08167	4.4
61.02929	23.5
64.82236	0.9
67.05514	1.0
68.02637	1.0
68.98286	1.4
69.03434	39.1
69.24888	1.5
69.25300	3.1
70.03767	1.1
70.06587	1.8
70.99854	2.8
71.01351	3.1
71.04988	4.1
73.02922	54.9
74.03253	1.5
75.01918	0.8
76.54557	0.9
77.00903	2.7
79.02184	1.9
79.05495	1.6
81.01916	2.8
81.03422	12.9
81.07083	1.2
82.02683	1.4
82.99838	4.9
83.01355	1.9
83.05004	3.8
84.04520	2.8
84.96036	0.9
85.02911	45.4
86.02892	1.1
86.03719	0.8
86.09708	4.3
86.99324	2.0
87.01899	3.0
87.04472	3.6
87.99288	0.8
88.02695	5.2
88.52723	0.8
89.00906	1.6
91.03992	1.2
91.05443	0.7
93.01898	7.2
94.01762	0.9
94.02671	8.9
94.99874	1.5
95.02547	1.0
95.04980	1.9
95.06079	2.5
96.02444	4.5
96.04507	0.9
97.01403	1.3
97.02889	41.6
98.03311	1.0
98.23327	1.6
98.97584	7.8
98.98466	6.5
99.01916	2.0
99.04465	7.6
100.02667	8.2
100.07625	1.0
100.52764	1.0
101.00888	44.8
101.02296	1.6
101.03474	1.4
102.00937	4.2
102.02412	13.3
102.52493	2.9
103.00649	2.3
103.02436	2.9
103.03197	2.2
103.03912	1.7
104.10747	46.5
105.03441	1.1
106.02673	4.3
106.52823	1.0
108.02411	6.2
108.52476	1.5
109.02971	6.3
110.06049	3.2
110.97597	2.2
111.02943	18.8
111.53004	2.7
112.02782	2.2
113.00875	16.3
113.53207	0.9
114.00978	2.8
114.02404	5.8
115.00652	1.5
115.02431	6.9
115.03188	3.7
115.03964	2.1
116.98631	4.9
117.02209	1.0
117.02953	3.2
118.01195	1.2
118.03542	3.3
119.01926	100.0
120.01954	6.0
120.03441	2.2
121.01671	2.8
121.03206	3.0
122.02137	1.0
123.02912	8.1
123.06728	1.4
123.53035	2.2
124.02504	1.4
124.03721	1.0
124.99982	2.1
126.02390	1.3
127.01601	1.0
127.02437	4.6
127.03911	10.0
128.02338	0.8
128.98642	2.7
129.00397	1.8
129.02069	1.3
129.02928	9.5
129.03905	1.5
129.53012	1.2
130.02817	1.0
130.03694	2.9
131.01910	47.1
132.01953	7.1
132.03445	8.0
133.01666	3.2
133.03465	7.0
134.03545	1.1
134.99716	1.4
135.02939	3.3
135.53038	0.8
136.03699	2.7
136.04602	2.1
137.02974	16.9
137.07947	1.6
138.03448	12.7
138.05507	3.1
138.09174	1.9
138.10274	2.6
138.53528	2.0
139.02441	2.2
141.03987	3.1
142.03500	16.9
143.01904	47.6
143.10649	0.8
144.02014	5.6
144.03410	4.4
144.53595	0.9
145.01637	2.7
145.03455	20.0
145.04733	1.5
145.04982	1.2
146.03601	3.0
146.99658	2.6
147.01405	4.6
147.04124	3.7
147.04985	1.3
148.03963	6.7
149.02974	9.0
149.54140	1.1
150.03209	1.1
151.04530	1.1
153.03975	5.7
153.54100	1.0
154.03593	1.0
155.01910	37.0
155.03740	1.7
156.01942	3.8
157.01665	2.8
157.03491	15.9
158.03650	2.2
158.99602	1.7
159.01410	1.0
160.04562	22.4
161.02966	53.4
162.03125	7.1
162.04428	1.4
163.02750	2.4
163.04558	3.3
166.04980	7.1
166.08678	1.7
167.01926	10.5
168.02023	1.3
169.01926	0.9
169.03445	3.9
170.03625	0.8
171.01468	1.2
171.05084	0.9
173.02972	60.5
174.03114	7.4
174.04492	1.1
175.02774	3.4
175.04498	4.3
177.00627	1.2
177.02515	1.3
178.02515	1.0
178.05582	6.9
179.02107	2.2
179.04019	4.1
181.03575	1.4
183.04877	1.2
183.11378	1.8
184.04576	3.1
184.06393	13.4
184.09760	2.2
185.02971	33.4
186.03123	5.2
187.02934	1.4
187.04578	3.0
189.02487	1.5
191.04005	5.4
192.04137	1.0
197.03026	4.9
198.03285	0.9
199.04529	1.4
201.00748	1.5
202.05690	1.1
203.04005	19.1
204.04204	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	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31257	0.4
56.85778	0.5
61.61610	0.4
69.79073	1.4
74.79761	0.4
82.99839	3.8
100.02506	0.5
101.00883	44.8
102.00957	2.8
110.39703	0.4
119.01923	100.0
120.01991	6.1
121.01647	0.7
121.02425	0.6
124.02458	2.3
125.02655	0.5
137.02965	21.5
138.03119	1.4
142.03506	20.4
143.03624	3.3
144.03313	1.0
149.07112	0.4
160.04553	4.3
161.02985	7.6
161.04620	3.6
162.03093	0.6
162.04320	1.7
166.08315	0.4
179.04027	9.0
179.05716	1.4
180.04071	0.7
186.81519	0.4
203.04195	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67081	0.6
53.03942	1.4
55.01857	1.9
56.96570	7.3
57.03188	1.0
57.03440	9.7
58.06582	3.5
60.08169	5.5
61.02930	6.6
67.05525	0.9
68.05019	1.0
69.03432	10.1
69.38772	4.5
70.03756	1.1
70.06596	3.4
71.01335	1.1
71.04996	1.5
72.19701	0.7
73.02918	13.1
74.03268	1.3
80.05002	1.2
81.03427	3.2
82.03727	0.7
82.06564	1.6
82.99841	3.2
84.04491	3.1
85.02911	10.8
86.03243	1.0
86.09712	5.5
87.04463	1.4
88.52764	1.1
93.07001	0.8
94.01784	0.7
95.06078	1.6
96.04509	1.0
97.01402	1.3
97.02301	1.3
97.02885	9.1
98.03239	1.8
98.06004	0.9
98.97582	5.8
99.04428	1.4
100.02581	1.3
101.00885	40.0
102.00932	6.0
102.02325	1.3
102.52473	1.5
102.96880	1.3
103.00662	4.3
103.02343	1.4
104.10748	61.6
105.11117	1.7
108.52468	0.8
109.02888	2.1
109.53278	0.8
110.06063	4.6
110.09687	0.8
111.02936	1.3
111.53025	2.1
112.02806	1.1
113.00842	3.9
114.00965	0.7
114.03020	0.8
114.05531	0.9
115.00623	3.0
115.02424	4.7
115.03927	0.8
116.02487	0.9
116.98631	2.9
117.03993	1.5
118.03526	1.7
119.01923	100.0
120.01997	10.7
121.01617	4.6
123.53008	2.2
124.02592	0.6
125.00024	2.6
127.02441	1.0
127.03944	2.6
128.02402	1.0
128.98619	1.3
131.01920	8.1
131.03554	0.8
132.01994	4.9
133.01654	7.2
133.03442	3.0
134.03714	0.7
134.99651	1.1
135.03218	1.2
135.05022	0.8
137.02951	28.1
138.03101	1.6
138.05476	5.2
138.09135	2.5
138.10251	4.9
138.53493	0.9
139.02400	0.7
139.03374	1.6
142.01796	1.3
142.03508	15.9
143.01888	7.2
143.03668	2.5
144.02061	4.2
144.03162	0.7
145.01663	6.0
145.03450	3.1
146.03677	2.6
146.99702	1.1
147.03210	1.0
148.01477	0.9
148.03941	8.3
149.01187	1.0
149.03017	1.0
151.02762	1.3
155.01894	3.3
156.02036	4.5
156.03267	1.9
156.05090	0.9
157.01668	3.0
157.03496	5.0
158.03633	2.3
158.99786	1.1
159.03262	1.5
159.05066	0.7
160.02783	0.7
160.04556	6.3
161.01334	1.2
161.02969	17.0
161.04671	4.4
162.03087	4.8
162.04315	1.3
163.02597	3.6
166.04973	10.5
166.08673	1.9
167.01924	1.4
168.02162	0.8
169.01704	0.9
173.02950	5.0
174.03072	5.8
175.02760	5.9
175.04315	1.2
177.00780	0.7
179.02382	1.5
179.04025	8.7
179.05602	1.5
181.03764	0.7
184.04584	2.6
184.06284	17.5
184.09715	3.0
184.13350	2.3
185.02914	5.0
185.04381	0.9
186.03075	3.7
187.02576	3.3
198.03122	0.8
202.05566	1.0
203.04111	1.5
204.04288	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.9
56.96556	2.2
58.06590	0.7
58.99854	0.9
69.03421	0.8
69.64088	2.3
69.64468	1.5
70.06589	2.0
70.99861	0.8
81.03436	2.0
82.99851	2.9
83.04987	1.4
84.04507	1.4
85.02892	2.2
85.45550	0.6
86.03557	1.2
95.06104	0.7
98.23386	0.8
98.97590	10.3
100.02495	1.4
101.00886	39.1
102.00979	2.7
110.06042	1.8
113.00941	0.9
114.02986	0.8
115.02421	2.7
116.98637	5.5
117.04012	1.5
118.03518	1.5
119.01926	100.0
120.02007	7.4
121.01635	1.1
124.02482	1.6
124.07704	0.9
124.99107	0.8
131.01904	2.2
133.01660	1.6
133.03467	1.1
134.99652	2.2
135.05083	1.3
137.02966	22.8
138.03055	2.1
138.05510	1.3
138.10277	1.3
142.02422	1.1
142.03503	16.5
143.00197	1.1
143.01932	5.5
143.03658	3.0
148.03957	2.2
156.05133	1.2
157.03465	3.5
158.99664	1.4
159.05061	0.7
160.04564	4.9
161.02977	15.9
161.04637	3.8
162.03096	0.9
162.04324	1.1
166.04973	3.6
166.08673	2.3
174.06223	1.0
175.04568	1.3
177.00853	1.0
179.02512	1.0
179.04037	9.4
179.05624	1.1
184.04572	2.7
184.06104	1.1
184.09651	3.3
184.13376	2.7
185.03032	1.7
202.05621	1.5
203.04094	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0606
Annotation	4-Pyridoxate
Peak:m/z	Relative Intensity
53.03944	0.4
54.64061	0.3
55.01878	0.4
55.05520	1.1
56.96579	1.3
57.36863	0.3
58.06595	0.4
61.88613	0.3
65.03942	2.1
67.01871	0.4
67.05524	1.1
67.62601	0.3
68.05051	0.6
69.03441	0.7
69.15450	1.1
69.15857	1.3
70.06606	1.6
71.05006	0.7
79.05547	0.4
81.03439	0.9
82.06599	0.9
82.99865	1.0
84.04506	2.2
85.06567	0.5
86.03539	0.7
92.05003	1.7
96.04518	0.8
97.02893	0.4
97.06561	0.5
98.97594	4.2
101.00886	8.8
102.00984	0.4
104.05025	0.6
104.10733	0.5
110.06062	3.0
110.09683	0.5
112.07619	0.6
113.06025	0.9
114.03036	0.4
114.05548	1.5
116.98631	2.1
119.01927	21.9
120.02004	1.2
120.04442	1.7
120.08160	0.4
122.02427	0.4
124.03896	0.4
124.07587	0.8
130.05028	0.9
131.01918	0.7
134.99683	0.6
137.02972	4.6
138.05495	7.6
138.06494	0.5
138.09167	0.7
138.10188	0.6
139.30460	0.3
142.03508	3.8
142.04930	0.6
143.00148	0.8
143.01863	2.5
148.03938	94.4
149.04289	2.7
158.99742	0.9
160.04582	0.7
161.02950	3.8
161.04214	0.5
161.04764	0.4
162.03101	0.4
165.92070	0.3
166.05003	100.0
167.05354	3.1
168.03622	0.8
173.06593	0.9
174.78732	0.3
175.04472	0.5
177.00719	0.5
179.04016	1.4
184.04715	0.4
184.06055	11.8
184.09489	1.7
184.13289	1.4
185.06506	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.097
Annotation	Ginkgotoxin
Peak:m/z	Relative Intensity
55.01879	0.8
55.05518	4.5
56.05037	0.8
56.96564	4.4
57.03453	0.7
60.08200	0.5
63.13645	0.5
64.64778	0.5
65.03958	0.9
67.01891	0.6
67.05518	2.0
68.05022	3.9
69.03426	2.0
69.07072	2.6
70.06590	11.3
71.04996	27.6
72.08191	0.5
74.78160	0.4
79.05499	1.3
80.05022	1.4
81.03418	0.8
81.07061	1.2
82.06584	2.2
83.04977	2.0
84.04510	8.3
84.08118	0.5
85.02918	1.4
86.06078	0.9
86.09730	1.2
91.05485	1.3
92.04987	1.0
93.07064	1.9
94.06573	2.1
95.04983	0.7
95.07373	0.5
95.08606	1.7
96.04492	12.2
96.08141	1.4
97.02887	0.6
97.06525	1.4
98.06069	4.4
98.97586	1.9
101.00869	3.3
102.96935	0.6
103.05512	0.7
104.10740	2.9
107.06107	1.1
108.04469	0.7
110.06049	8.6
110.09688	3.4
112.03971	0.5
112.07568	0.8
114.05553	4.1
116.98640	1.9
119.01926	14.4
119.06021	0.5
120.02036	1.5
120.04510	0.7
120.08112	33.3
120.97906	0.6
121.06525	1.4
121.07653	1.7
121.08414	1.0
122.09669	0.7
124.03946	0.5
124.07620	2.2
124.11263	1.4
125.00004	0.6
130.05011	2.8
134.99696	0.7
136.07585	7.6
137.02956	5.4
138.03081	1.0
138.05525	5.4
138.09142	29.6
139.09477	0.9
140.10732	1.3
142.03493	3.8
142.05000	3.3
142.08685	1.3
148.03940	20.3
148.07574	20.4
149.06041	0.6
149.07085	1.3
156.10196	0.5
157.06541	0.8
160.04570	0.8
161.02945	1.2
164.07068	2.6
166.05003	22.5
166.08640	100.0
167.05298	1.0
167.09097	4.5
179.04027	1.0
184.06155	4.0
184.09691	32.2
184.13240	6.3
185.09879	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0969
Annotation	N-(cyclohex-1-en-1-ylcarbonyl)glycine
Peak:m/z	Relative Intensity
54.03442	0.6
55.05513	2.5
55.37600	0.6
58.02961	3.2
60.04527	15.8
67.05505	3.1
68.05032	1.8
69.03434	5.6
69.07069	100.0
69.37489	4.1
70.06599	5.9
70.07401	2.1
71.04998	0.9
71.08636	3.3
72.08138	0.8
79.05494	1.3
80.05029	0.8
81.07072	1.7
82.06587	2.0
83.04990	1.1
84.00726	0.7
86.02427	16.3
86.06065	1.6
86.09733	0.6
87.04482	1.2
91.05475	1.7
92.05019	0.7
93.07069	2.8
94.06578	1.0
95.08614	5.6
96.04490	2.0
96.08111	1.2
96.08968	0.8
97.06532	6.1
98.06053	8.3
100.07661	0.9
101.06060	0.7
107.06124	1.0
107.08619	0.9
108.04482	0.8
108.08154	0.6
109.02903	1.0
109.06521	0.8
110.05290	1.2
110.06044	22.8
110.09692	5.2
111.06367	1.1
111.08107	0.6
119.01933	3.3
120.02051	0.9
120.08115	1.8
120.08939	0.9
121.06548	1.1
121.07619	1.5
121.10187	1.3
124.07584	3.1
125.09638	1.5
128.06218	3.2
129.07005	4.4
137.02953	1.2
138.05531	2.6
138.09138	72.3
139.09473	1.7
139.11172	1.5
140.05937	0.9
142.03520	0.9
152.07101	0.9
156.10185	3.7
157.06494	21.1
166.05026	0.9
166.08630	24.3
167.07005	1.0
167.09012	1.1
167.10617	0.8
170.10950	0.9
179.04128	0.7
184.09688	25.9
184.13295	1.0
185.05943	11.8
185.09596	1.5
195.94798	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
62.23331	27.0
67.49387	27.3
71.19797	57.4
78.56427	25.3
87.99025	23.3
90.82282	28.4
101.00867	55.3
119.01932	83.8
131.01909	100.0
145.03397	32.9
155.01953	39.4
173.02914	37.8
185.02859	40.7
199.87936	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	186.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.05510	6.1
56.05020	1.1
56.40079	0.3
56.96555	0.3
57.03428	0.7
57.07066	1.5
58.06315	0.7
58.06602	13.3
63.31195	0.3
65.03940	0.7
67.05508	15.8
68.05025	0.4
69.03418	1.2
69.06728	0.5
69.07070	5.8
70.02952	0.7
70.06596	33.2
71.04997	4.5
71.06916	0.4
71.29211	0.3
72.08157	1.7
79.05495	2.1
81.03416	1.0
81.07060	16.1
82.07398	0.6
83.04973	0.3
83.08627	3.3
84.04492	1.1
85.02913	1.7
85.06553	1.7
85.07004	0.4
86.09718	0.5
88.02221	0.8
91.05471	1.5
93.07039	1.4
94.06604	0.3
95.04948	0.5
95.08611	23.6
96.04498	0.5
96.08952	0.7
97.02914	0.4
97.10168	0.6
98.06075	0.6
98.07195	0.7
98.09708	1.1
99.08102	2.1
102.05544	0.7
103.05473	0.4
105.07042	1.6
107.08598	0.5
109.02863	0.4
109.10158	8.9
112.07560	0.5
115.05424	0.7
116.06283	0.4
116.10735	1.0
116.98595	0.5
117.07007	1.4
119.08595	0.9
121.00819	2.3
122.06019	1.9
123.08047	0.6
123.11712	1.3
125.05959	0.4
126.05593	0.8
126.06636	4.3
126.12792	0.6
128.06190	0.4
129.07005	1.6
130.05019	3.0
130.06520	0.8
130.07625	0.4
130.12335	0.4
131.04919	0.7
131.08554	2.8
138.05482	1.1
138.09106	0.7
139.01855	1.9
139.92195	0.3
140.07056	0.9
140.14305	1.3
141.06987	1.0
141.09100	0.8
143.08435	0.5
144.05701	0.7
144.06677	0.5
144.07681	10.0
144.09341	1.7
145.02827	0.5
145.06479	1.1
145.08029	0.4
145.10132	0.8
149.33237	0.4
150.05478	0.8
154.07750	0.5
157.06493	0.5
157.10078	0.5
158.07297	1.8
159.04422	0.4
159.06990	0.5
159.08095	2.9
159.11710	4.9
163.01825	2.9
168.06607	0.6
168.13855	0.9
168.17540	0.5
169.07317	2.5
169.08568	0.6
169.10091	0.7
169.15900	0.5
172.05324	0.5
172.08839	2.8
181.02893	4.7
186.06310	0.6
186.07806	1.6
186.09845	1.8
186.11288	3.4
186.18539	100.0
187.03926	0.5
187.07495	2.5
187.11165	5.4
187.18881	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	186.9953
Annotation	Unknow
Peak:m/z	Relative Intensity
60.63826	1.2
62.40342	1.1
69.80117	4.8
70.70647	1.0
85.70702	1.0
94.05207	1.2
104.99271	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	187.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.1
55.01881	2.2
55.05514	3.6
55.50825	1.2
57.07067	3.4
65.03939	1.6
67.05496	8.6
69.03441	2.2
69.07052	2.8
71.28806	2.6
79.05488	7.5
81.03419	3.1
81.07044	5.2
83.08615	4.7
88.02211	13.4
91.04997	1.3
91.05490	16.8
93.07036	4.1
93.70989	1.3
95.04958	5.3
95.08552	2.0
96.36990	1.3
97.66348	1.4
103.05447	1.2
104.04089	2.7
105.07030	32.9
107.04942	3.9
107.08605	2.5
109.10116	1.7
115.05457	5.2
116.06290	3.0
117.07025	20.7
119.08579	20.7
120.64175	1.1
121.06496	1.2
128.06195	6.8
129.07014	17.7
130.07825	6.4
130.98444	1.2
131.04922	1.3
131.08577	38.9
132.08954	1.7
133.10117	3.0
141.06975	5.8
142.07767	12.5
143.08572	14.9
144.05692	2.1
144.09337	19.1
145.06473	11.8
145.10124	100.0
146.10474	3.6
153.06972	2.2
154.07788	8.9
157.06525	1.9
157.10117	19.5
158.07271	3.5
158.10890	4.5
159.06973	5.4
159.08148	7.5
159.11694	51.1
160.12033	2.2
165.01649	1.2
169.10143	14.7
172.08807	5.7
172.12459	8.0
187.11203	45.8
187.12770	1.7
187.14821	59.1
188.11543	2.0
188.15082	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1329
Annotation	(3R)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
53.03937	3.8
55.05505	5.1
57.07059	2.0
59.05007	1.7
60.85732	1.2
67.05503	9.0
69.03422	5.8
69.07067	21.7
69.39700	6.8
70.06591	27.4
71.04990	25.3
71.06289	2.1
71.06918	13.9
73.06567	1.6
79.05484	19.7
81.03414	4.1
81.07054	100.0
82.07394	2.5
83.04980	5.8
83.08620	2.0
85.02908	5.0
88.02228	6.6
91.05508	6.9
93.07056	4.9
95.04986	3.6
95.08607	5.7
97.06520	6.2
98.22649	1.3
99.08094	5.2
101.06037	2.9
103.05480	1.9
104.93285	1.4
105.07030	4.5
107.08598	12.5
109.06487	3.5
109.10149	18.5
111.08088	3.8
111.11727	6.3
115.05489	3.6
116.06242	1.8
119.08596	1.4
121.10137	3.1
123.08066	2.1
123.11706	18.8
124.97057	1.4
129.06992	2.0
131.04868	2.8
131.08522	6.3
133.10129	2.6
139.11186	7.5
141.06996	6.2
144.05690	10.8
145.10109	4.3
146.05959	2.0
151.11154	9.8
157.12218	2.2
159.04424	2.4
159.07005	3.6
159.08115	5.4
159.11719	4.4
169.06502	3.0
169.12234	2.9
172.05203	4.7
172.08821	2.7
187.03865	2.6
187.06059	3.1
187.07556	34.5
187.11134	5.1
187.14888	3.1
189.38870	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1481
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
55.05501	4.0
65.17087	1.3
67.05500	4.8
70.01413	3.6
77.59127	1.4
79.05494	3.4
80.45927	1.2
81.07048	4.9
83.08608	5.6
88.02222	16.5
91.05482	6.0
93.07036	2.6
94.94504	1.6
95.04983	2.3
95.08554	2.3
98.23309	2.5
104.04069	1.3
105.07037	18.5
107.08573	1.6
115.05448	1.9
117.07009	7.5
119.08578	13.4
125.89101	1.2
128.06210	3.9
129.07018	7.0
130.07794	8.5
131.08582	18.5
141.07004	2.7
142.07776	5.0
143.08580	9.6
144.09305	4.5
145.10127	100.0
146.10490	3.3
154.07771	3.1
156.09369	1.7
157.10123	11.8
158.10907	5.9
159.06990	6.0
159.11713	18.8
169.10144	2.5
172.08847	3.2
172.12447	7.7
187.11224	14.6
187.12794	2.5
187.14828	46.2
187.22525	1.9
188.15082	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1481
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
52.16966	0.4
55.05502	0.5
56.42266	0.4
57.07063	2.5
67.05505	3.1
71.30550	0.4
79.05486	1.4
81.03409	0.5
81.07076	2.6
83.08612	1.5
85.06549	0.5
88.02213	4.5
88.40544	0.4
91.05480	4.1
93.07040	0.5
95.04976	1.3
95.08623	0.9
103.05411	0.4
105.07030	10.8
109.10152	1.1
115.05413	1.2
116.06229	0.7
117.07024	6.6
119.08576	8.7
128.06190	2.8
129.07001	5.8
130.07777	6.6
131.04852	0.6
131.08562	10.6
133.10126	1.4
141.07050	2.0
142.07790	1.5
143.08574	9.2
144.09338	4.6
145.06418	1.4
145.10115	100.0
146.10422	4.6
146.91801	0.8
153.07013	0.6
154.07762	2.4
157.06503	0.6
157.10124	8.2
158.07246	0.9
158.10925	5.4
159.06996	1.4
159.08049	1.4
159.11697	16.1
160.12030	0.8
169.10132	5.9
170.10794	0.6
172.08824	4.8
172.12473	8.0
185.13208	0.5
187.03804	0.5
187.11198	15.0
187.14813	53.3
187.22557	0.8
188.11710	0.5
188.15184	3.0
207.28693	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0705
Annotation	Indoleacrylic acid
Peak:m/z	Relative Intensity
51.19324	0.4
55.01891	0.5
55.05521	0.7
67.05517	1.1
68.05848	0.4
69.03435	0.4
69.07066	0.7
70.87366	0.4
70.87717	0.5
71.05010	0.4
79.05512	1.2
81.07090	0.8
83.04995	0.6
83.94558	0.3
88.41100	0.4
91.05477	7.7
91.05997	0.4
93.07076	0.5
95.08623	0.4
103.05529	0.5
105.07031	3.9
106.07371	0.7
107.04980	0.4
107.08607	0.7
108.08926	0.7
109.10162	0.5
110.10497	1.3
115.05457	7.9
117.05776	2.0
117.07020	6.5
118.06544	70.8
119.04946	0.9
119.06900	1.9
119.08580	4.0
119.32788	0.3
121.06523	0.4
121.10184	0.7
128.06258	2.4
129.06972	1.2
131.08554	1.4
132.08080	0.9
133.06494	1.1
133.10130	4.7
134.10463	1.1
135.08087	1.2
136.68678	0.4
141.07042	0.5
141.28369	0.3
142.06517	5.2
142.07562	0.4
143.04898	1.1
143.07320	12.2
143.08539	1.8
144.04478	0.6
144.08090	24.2
145.06505	2.2
145.08359	0.8
145.10037	1.1
146.06009	100.0
146.10516	1.0
147.04456	0.5
147.06351	4.0
147.07999	2.2
147.11690	2.7
149.09573	0.5
152.11487	0.9
155.05995	1.0
156.09349	1.8
159.08047	10.2
159.09378	0.7
160.05161	1.3
160.07539	1.3
160.08806	1.6
161.05983	2.4
161.09613	3.3
161.13269	3.2
167.04283	0.4
170.06001	9.7
171.06381	0.3
171.11679	2.0
173.05879	0.4
173.09650	0.7
174.10410	23.9
188.07025	18.9
188.11581	0.8
188.15051	1.0
189.05521	2.4
189.07249	1.0
189.09096	2.6
189.12743	31.3
189.16322	1.2
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	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
50.22408	0.3
51.88762	0.4
54.13963	0.4
54.68610	0.3
64.46334	0.3
65.86121	0.3
70.40779	0.3
71.13541	0.4
91.05479	4.5
98.97554	0.3
103.05450	0.7
109.27695	0.3
115.05460	7.0
117.05788	1.9
117.07024	3.9
118.06551	71.6
119.06878	2.6
132.08098	0.9
141.05620	0.3
142.06528	6.2
143.07314	12.1
144.04433	0.7
144.08101	23.6
145.06471	0.9
145.08444	1.1
146.06015	100.0
147.06372	3.7
155.06041	1.3
160.07616	1.2
170.06018	8.7
188.07080	19.9
189.07390	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.091
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.03954	1.7
55.01876	3.8
55.05507	1.3
57.03444	0.9
64.65757	0.6
65.03949	2.5
67.05505	26.0
68.05845	0.6
69.59496	0.5
76.03149	0.5
77.03929	1.2
79.05495	8.6
79.24349	0.5
83.04990	1.6
91.05482	18.8
91.06017	0.6
93.07033	1.2
95.04968	18.1
95.08610	0.8
96.05306	0.6
97.23893	0.6
103.05485	1.3
105.03393	18.9
105.04498	1.2
105.06497	0.4
105.07031	14.9
107.04955	100.0
108.05286	1.8
115.05463	3.8
117.07012	11.1
118.75263	0.6
119.04990	2.8
119.08571	7.0
121.02869	8.0
121.06576	0.8
123.04429	2.1
128.06219	10.7
129.07042	2.9
131.04950	1.3
131.08556	1.8
132.05699	1.4
133.02872	1.0
133.06496	10.4
133.10139	8.3
143.08562	14.0
144.08943	0.9
145.06485	13.3
145.10138	1.8
146.07039	1.0
147.04442	2.2
147.08043	7.6
147.11684	1.6
152.06093	0.8
153.06966	3.3
155.06013	2.0
161.05974	1.5
161.09619	23.3
162.09929	1.0
171.08057	19.8
172.08585	0.8
189.05513	1.8
189.09100	36.5
189.12582	2.7
189.16360	1.6
190.09488	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
55.01875	3.8
55.05497	0.8
57.03457	0.6
61.10842	0.5
65.03938	2.5
65.97471	0.6
67.05507	26.4
67.23317	0.5
69.07059	0.6
77.03922	0.6
77.20502	0.6
79.05493	8.9
79.08847	0.5
81.03432	0.8
81.07070	0.8
83.04993	1.3
91.05486	19.0
93.07072	1.0
95.04967	19.4
95.08634	0.9
98.23368	1.2
103.05487	1.3
104.17397	0.6
105.03402	17.9
105.07034	15.2
107.04959	100.0
108.05262	3.4
115.05478	3.5
117.07017	11.1
119.04923	2.9
119.08589	5.9
121.02881	6.7
121.06543	0.8
121.10098	0.8
123.04413	1.4
128.06235	11.9
129.07021	2.7
130.07768	0.6
131.04988	1.7
131.08574	2.0
132.05688	1.5
133.02893	1.2
133.05576	1.0
133.06499	11.4
133.10124	9.0
141.07002	0.7
142.07758	0.7
143.08568	13.4
144.08920	0.7
145.06488	14.0
145.10156	0.7
146.07178	1.2
147.04427	2.0
147.08063	8.2
147.11690	1.3
152.06169	1.2
152.97095	0.6
153.07002	2.5
155.06078	1.5
159.08025	1.0
161.06013	1.4
161.09633	22.1
162.09973	1.0
171.08060	19.6
172.08456	0.8
189.05496	1.1
189.09117	36.1
189.12726	2.1
189.16380	1.5
190.09435	1.7
207.02953	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.112
Annotation	3-(2'-Hydroxyethyl)-5-(2''-hydroxypropyl)-dihydrofuran-2(3H)-one
Peak:m/z	Relative Intensity
51.32552	2.7
53.03934	4.5
55.01863	11.1
55.05517	30.6
57.03431	44.0
57.07073	80.4
61.02938	13.8
61.16184	2.5
61.33553	2.7
65.14669	2.8
67.05494	14.9
69.03421	12.5
69.07066	28.2
69.50935	11.1
71.01349	2.9
71.04984	5.3
73.02919	17.4
79.05486	25.8
81.07052	42.7
83.04987	12.9
83.08616	17.6
85.02907	18.3
85.06535	39.5
87.04470	3.1
91.05484	12.2
92.87834	2.7
93.07045	16.9
95.04991	4.9
95.08591	10.0
98.22625	3.6
99.08089	8.5
103.03973	3.4
105.07029	8.4
107.08598	6.8
109.06539	4.8
111.04437	4.0
111.08082	14.0
111.90837	2.9
115.03892	3.7
119.08572	6.4
127.07555	100.0
129.09120	5.7
131.08545	3.2
133.10141	5.1
135.08052	4.4
141.09129	7.1
147.11685	5.8
149.02287	2.9
153.09077	24.5
171.10225	5.5
171.11646	2.9
189.12697	7.1
189.16446	3.9
192.75641	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45614	0.5
53.03934	0.5
53.33733	0.4
55.01873	0.6
55.05507	3.0
65.03946	0.6
66.61288	0.5
67.05499	1.8
69.03432	1.3
69.07071	7.3
79.05476	2.9
81.07056	2.8
83.04984	0.8
83.08633	1.1
86.09715	0.6
91.05478	17.9
93.07050	2.9
93.15752	0.5
95.04964	0.8
95.08603	3.5
98.22653	1.3
103.05473	1.4
105.07027	24.9
106.07381	0.8
107.04942	1.0
107.08611	4.0
109.10135	1.4
115.05472	3.2
116.06277	4.0
117.07030	3.7
118.06525	0.8
119.04930	0.8
119.06847	1.4
119.08578	31.9
121.06491	1.1
121.10158	1.5
128.06206	3.2
129.06979	5.2
130.07770	0.9
130.31471	0.5
131.08562	100.0
132.08881	4.0
133.06468	2.3
133.10129	15.0
141.06979	2.2
142.07771	0.7
143.06874	1.0
143.08557	4.3
144.07683	0.7
145.06454	1.6
145.08409	0.7
145.10123	9.5
146.06076	0.5
146.10909	6.7
147.06339	2.0
147.08037	5.6
147.11687	42.0
148.11998	2.1
155.08542	0.7
156.09341	11.6
157.09694	0.6
159.08035	2.3
159.11659	2.5
160.05142	1.3
160.08815	1.2
161.05960	2.0
161.09578	2.6
161.13260	3.3
162.05531	1.7
171.06430	3.0
171.07878	0.5
171.11685	10.8
172.12022	0.6
174.06804	1.1
174.10414	5.4
185.08824	0.5
189.05426	1.6
189.07324	2.4
189.09094	3.7
189.12730	30.0
189.16368	18.9
190.13048	1.6
190.16797	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06683	1.0
53.03955	5.7
55.01875	7.8
55.05517	10.4
57.03416	1.6
57.07062	2.1
59.04987	1.6
65.03941	3.2
67.05502	10.8
69.03429	14.9
69.07060	8.2
69.12434	6.9
79.05499	16.2
81.03420	9.7
81.07065	13.2
83.04988	12.9
83.08608	1.7
84.33308	1.0
86.09701	4.1
87.10046	5.6
91.05482	31.0
93.07037	11.9
95.04971	4.1
95.08610	7.3
97.06547	1.2
103.05456	4.7
105.03390	1.4
105.07039	49.4
106.07342	1.5
107.04955	5.1
107.08598	14.4
109.06511	2.6
112.02534	1.2
115.05439	9.0
117.07021	11.2
118.07724	1.0
119.04949	11.7
119.08587	65.6
121.06514	7.1
121.10130	3.8
128.06221	12.8
129.07021	12.8
129.11053	1.9
130.07768	3.9
131.08572	16.4
132.05714	2.5
133.06519	12.6
133.10135	40.7
134.07178	1.4
135.08047	5.4
141.07028	6.2
141.07959	1.1
142.07771	3.5
143.04903	3.0
143.08565	22.1
144.08928	1.2
145.06516	7.2
145.10114	11.0
146.07248	3.1
146.10873	2.5
147.04445	1.6
147.08054	40.3
147.11681	26.7
148.08446	1.6
149.09595	1.3
155.06027	1.9
155.08571	2.1
156.09354	28.6
157.09753	2.0
159.08055	15.2
159.11703	5.8
160.05196	13.5
160.08885	6.5
161.05981	19.5
161.09625	16.5
161.13258	29.8
162.13651	1.4
171.08028	5.0
171.11693	23.6
172.12123	1.4
174.06813	2.3
174.10414	26.7
189.05377	5.8
189.09123	19.2
189.12749	100.0
189.16353	7.6
190.13084	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	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44185	1.1
53.03942	3.1
55.05513	15.0
57.03428	3.2
57.07052	1.6
59.04984	4.5
67.05498	6.9
69.03429	14.3
69.07069	6.5
70.06563	2.3
70.56335	2.9
79.05486	10.4
81.07056	8.6
83.04965	4.3
90.43263	1.3
91.05476	25.0
93.07056	11.3
95.04958	13.9
95.08585	2.8
103.05396	2.9
105.07028	55.8
107.04933	2.3
107.08585	18.4
109.06436	2.9
109.15703	1.3
115.05457	6.3
117.07021	9.1
119.04887	2.8
119.08578	92.6
120.08919	3.3
121.06502	11.2
121.10114	2.7
128.06227	8.8
129.07019	10.1
130.07762	2.7
131.04930	2.4
131.07570	1.8
131.08560	29.4
132.05710	2.4
132.09398	1.9
133.06499	12.4
133.10127	34.1
135.08058	4.6
141.06963	6.8
142.07788	2.6
143.08549	17.9
145.06465	8.2
145.10069	15.5
146.07288	3.5
146.10928	2.2
147.08031	41.2
147.11678	66.8
148.08452	1.7
148.12010	2.0
155.05969	1.5
155.08533	2.0
156.09326	29.6
157.06447	1.5
159.08066	9.4
159.11673	7.3
160.05269	2.1
160.08821	10.8
161.05977	7.7
161.09633	17.3
161.13252	38.6
162.05453	1.6
162.13670	2.0
171.08037	5.0
171.11688	24.8
174.06729	3.9
174.10390	12.6
189.05457	4.9
189.09106	17.5
189.12733	100.0
190.13049	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	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31721	0.6
60.46626	0.6
69.07085	0.8
70.69144	0.8
70.69459	0.9
91.05490	13.8
93.07080	0.9
97.53391	0.5
97.87849	0.6
100.30430	0.5
105.07043	8.4
107.08607	1.0
115.05482	1.7
116.06249	4.4
117.07043	1.7
119.08589	12.3
128.06264	0.7
129.06999	2.9
130.07793	0.9
130.68675	0.6
131.08575	100.0
132.08902	4.2
133.10115	1.6
143.08585	2.5
145.10121	4.1
146.10930	1.0
147.08084	2.7
147.11697	30.8
148.12012	1.4
156.09384	2.5
159.08043	0.7
160.08775	1.0
161.05994	0.8
161.09625	1.0
161.13257	1.5
165.22169	0.6
171.11737	2.8
174.10379	1.3
189.09151	0.7
189.12756	19.0
190.13036	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62666	1.3
53.03928	4.0
55.01871	7.8
55.05513	13.9
57.07047	1.7
67.05495	7.9
69.03429	21.3
69.07064	7.3
75.14228	1.1
77.03891	2.2
79.05485	10.1
81.03406	4.4
81.07056	8.5
83.04978	26.3
91.05476	26.9
93.07035	12.2
94.66759	1.1
95.04964	5.4
95.08601	6.4
97.06510	1.9
102.22066	1.2
103.05457	2.4
105.07027	43.3
105.70785	1.2
107.04938	3.9
107.08598	12.2
109.06503	3.6
115.05441	4.8
116.05702	1.2
117.07001	10.7
119.04929	1.4
119.06879	2.6
119.08578	64.9
120.08838	2.4
121.06512	9.3
121.10160	5.8
123.08046	1.2
128.06224	9.6
129.07022	9.6
130.07745	1.9
131.08562	16.7
132.05682	3.3
133.06477	11.2
133.10118	36.3
134.07256	3.7
135.08043	5.9
141.06996	6.3
142.07817	3.0
143.06892	1.6
143.08533	14.1
145.06483	8.6
145.10135	9.8
146.06052	2.1
146.07236	3.0
146.10892	2.8
147.06256	3.5
147.08043	70.0
147.11684	24.2
148.08379	1.8
156.09338	33.3
159.08041	20.0
159.11685	5.3
160.05128	2.1
160.08842	13.4
161.05988	3.4
161.09619	14.7
161.13246	29.4
162.05447	2.5
171.06462	8.0
171.11694	23.3
172.12067	1.3
173.09573	1.8
174.10403	24.8
175.10837	1.6
189.07335	3.5
189.09135	5.4
189.12730	100.0
189.16342	5.3
190.13026	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	3.8
57.07064	0.8
67.05503	3.0
69.03432	6.3
69.07060	3.1
69.43498	2.6
69.43902	1.0
79.05495	2.9
81.07063	4.1
83.04967	2.0
85.22379	0.6
91.05472	8.1
93.07047	4.0
95.04945	2.3
103.05486	1.3
105.07030	20.5
106.07373	0.9
107.05003	1.1
107.08583	4.2
109.06485	2.3
115.05453	0.9
117.07019	3.5
119.04948	1.6
119.08574	42.8
120.08826	1.0
121.06503	2.6
121.10136	2.0
128.06213	1.6
129.06973	1.9
130.07751	0.8
131.08566	11.1
133.06514	3.5
133.10129	16.8
135.08028	4.3
141.06976	3.6
141.82825	0.6
142.07701	1.0
143.08530	4.6
145.06459	4.2
145.10107	3.8
146.07196	1.1
146.10866	2.3
147.08041	19.2
147.11678	21.3
148.08376	1.1
152.54340	0.7
156.09341	16.0
159.08055	18.6
159.11681	3.0
160.08826	7.3
161.09633	8.5
161.13248	25.4
162.09120	2.0
162.13655	1.2
171.11671	17.3
172.12024	0.8
173.09598	0.9
174.10397	33.5
175.10748	1.0
187.11238	0.9
189.12735	100.0
190.08643	1.1
190.13033	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	190.0499
Annotation	2-Oxo-1,2-dihydroquinoline-4-carboxylate
Peak:m/z	Relative Intensity
51.63255	0.2
54.03430	0.2
54.56628	0.2
56.96576	0.4
59.06122	2.0
69.37290	0.2
70.06591	1.7
71.28640	0.3
81.04537	2.9
89.03920	1.0
97.02878	0.2
98.97570	0.7
116.04974	3.9
116.05799	0.2
116.33412	0.2
116.98638	0.2
122.07142	1.3
123.07916	0.5
124.08746	0.4
131.00169	0.5
133.07617	2.7
144.04430	1.3
144.13808	0.5
149.01186	0.4
150.10303	0.4
162.05496	100.0
163.05861	3.8
163.09798	0.2
164.05939	0.2
167.02325	0.2
174.10320	0.6
179.83011	0.2
188.79799	0.2
190.04988	30.6
190.14212	0.4
191.05287	1.7
191.12909	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	190.05
Annotation	2-Oxo-1,2-dihydroquinoline-4-carboxylate
Peak:m/z	Relative Intensity
55.05497	0.4
56.96555	0.8
58.06591	0.2
59.06133	1.4
59.06381	0.3
69.03445	0.3
69.07051	0.3
69.37621	0.4
69.37959	1.7
70.06598	1.2
72.93791	0.4
77.13529	0.2
79.05476	0.4
80.04988	0.3
81.04545	1.8
83.04955	0.3
89.03910	1.4
90.94827	0.7
91.05478	0.9
93.07068	0.3
93.32972	0.2
93.52935	0.2
94.02924	0.4
94.06549	0.4
98.06079	0.3
98.23269	0.5
98.97610	0.4
104.41855	0.3
105.07016	0.4
106.06576	0.3
107.08592	0.4
116.04993	3.8
116.98615	0.3
118.06543	0.6
119.07346	0.3
120.08108	0.6
121.07610	0.3
121.10126	0.3
122.07172	1.0
124.08596	0.3
130.06468	0.4
130.96330	0.3
131.08578	0.6
131.97467	0.4
133.07635	2.2
133.10094	0.4
134.06038	0.6
134.99712	0.4
135.08014	0.3
144.04361	0.5
145.10201	0.4
146.06044	0.5
147.09203	0.3
148.97374	0.9
149.01204	0.8
149.02307	0.4
149.07156	0.9
149.09648	0.3
149.96153	0.6
150.96800	0.5
162.05501	100.0
163.05862	3.8
167.02325	0.3
167.97202	0.6
190.04991	32.8
190.08620	0.9
191.03671	0.3
191.05322	1.4
191.08330	0.3
191.12894	3.7
191.14354	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.8
53.03948	2.6
55.01876	15.9
55.05519	3.8
55.32244	0.5
57.03437	1.5
65.03941	1.5
67.05505	29.2
68.02396	0.5
68.99785	0.7
69.03435	4.8
69.07069	6.9
70.41445	1.2
71.04996	1.0
73.02911	2.0
77.03925	0.8
79.05495	43.8
81.03432	1.8
81.04533	0.7
81.07059	22.8
83.04979	8.0
83.08614	1.0
85.02897	1.4
85.06526	0.8
89.03915	0.8
91.05480	38.6
92.05813	0.6
93.07046	53.3
93.95020	0.5
94.07335	0.8
95.04970	8.6
95.08623	3.0
97.02922	0.6
97.06534	10.9
99.04453	2.0
103.05476	2.3
105.04494	1.4
105.07033	19.5
107.04952	8.5
107.08596	45.9
108.08946	0.7
109.06532	6.9
109.10138	1.8
111.04446	7.8
115.05442	3.2
116.06245	2.4
117.07019	21.9
118.07352	0.8
119.06104	0.6
119.08585	24.3
120.08925	0.8
121.06509	13.6
121.10143	39.4
123.04414	1.3
123.08066	1.0
125.06011	3.3
128.06207	1.6
129.07004	11.3
130.07808	4.8
131.04929	4.5
131.08572	36.4
132.05696	1.3
132.08923	1.3
133.06563	0.6
133.07611	0.9
133.10123	8.3
135.04424	0.8
135.08064	7.8
135.11693	28.7
136.08723	0.7
136.12030	0.8
137.09624	1.2
143.08559	2.9
144.05745	1.1
145.06502	8.3
145.10124	58.8
146.05968	0.7
146.10493	1.7
147.08051	3.8
147.11700	9.7
149.05952	1.8
149.09616	12.6
149.13252	3.3
153.06990	1.5
155.08566	10.9
158.07224	1.2
158.10893	1.4
161.09680	1.7
162.05556	0.6
163.11183	100.0
164.11569	3.3
173.09625	36.3
173.13150	3.9
174.09976	1.5
181.12231	4.6
191.03448	5.9
191.07068	1.7
191.10672	77.7
191.14297	23.0
192.11041	3.3
192.14626	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1067
Annotation	2,6-Dimethyldeca-2,4,6,8-tetraenedial
Peak:m/z	Relative Intensity
53.03960	2.6
53.20068	0.6
55.01876	17.1
55.05507	3.1
57.03454	1.3
65.03947	1.6
66.32143	0.6
67.05505	30.2
68.99805	0.8
69.03432	4.4
69.07068	5.0
70.17429	2.2
71.01368	1.3
71.05009	0.8
73.02904	3.2
77.03951	0.9
79.05495	43.5
80.05844	1.2
81.03440	1.0
81.07060	24.2
83.04987	7.8
85.02933	1.0
89.03955	0.9
91.05480	35.9
92.05835	1.1
93.07043	56.2
94.07364	1.0
95.04971	6.8
95.08629	2.8
97.06527	11.6
99.04437	1.5
103.05485	2.3
105.04549	1.5
105.07034	19.2
107.04961	8.3
107.08595	43.1
108.09016	1.1
109.06520	6.1
109.10170	1.4
111.04448	8.6
114.64711	0.7
115.05457	2.4
116.06204	1.5
117.07016	26.1
118.06562	1.2
118.07410	0.8
119.08576	22.8
121.06510	13.2
121.07406	1.0
121.10143	40.8
122.10456	1.0
125.06001	2.6
128.06218	1.1
129.05563	0.7
129.07007	11.2
130.07790	5.0
131.04918	4.3
131.08568	38.8
132.05717	2.0
132.08882	1.4
133.10146	7.6
135.08061	7.5
135.11690	28.6
137.09653	0.7
143.08601	3.0
144.05769	1.0
145.06477	7.5
145.10123	60.4
146.10466	1.9
147.08003	3.8
147.11699	9.9
148.08846	0.7
149.06003	1.4
149.07071	1.1
149.09605	11.4
149.13251	2.1
153.07011	1.1
155.08546	10.1
158.07271	1.1
158.10854	0.9
161.09572	1.1
163.11186	100.0
164.11514	3.5
171.07964	0.7
173.09624	38.0
173.13153	3.6
174.10078	1.4
181.12207	4.0
191.03374	7.2
191.10664	78.1
191.14293	16.6
192.10979	2.6
194.25949	0.8
203.19467	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95329	0.5
52.01883	0.5
54.03469	2.3
54.86070	0.4
56.82213	0.4
56.96569	3.7
59.06127	32.8
65.98319	0.4
69.03417	0.5
69.91103	1.3
69.91459	0.7
70.06596	24.6
73.02919	0.6
81.04541	47.0
82.06578	1.2
85.02911	0.7
97.02904	0.5
98.97581	2.7
100.99117	0.5
103.07691	0.5
105.04520	0.6
108.08088	1.5
110.07153	0.7
110.97608	0.6
116.98602	0.6
119.01746	0.5
122.07157	29.2
123.07953	9.0
124.08726	5.8
131.00133	2.0
133.07619	55.8
134.07942	1.3
147.09117	0.6
149.01224	4.1
150.10239	3.0
162.05573	0.7
163.05861	5.9
163.09760	2.6
163.96686	0.5
167.02312	1.0
174.10291	8.4
180.31654	0.5
191.05313	2.1
191.12918	100.0
192.13316	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.33189	0.6
51.02370	1.0
53.00303	0.6
53.03943	1.9
55.01859	0.9
55.05510	8.3
57.07064	2.3
67.05239	0.7
67.05513	7.3
69.03436	7.5
69.07066	8.6
70.06604	0.8
71.04987	1.7
71.07289	0.9
71.82601	0.7
79.05492	9.3
80.05023	0.8
81.04542	1.6
81.07063	8.1
83.04991	7.8
83.08614	3.1
85.06540	2.5
91.05481	14.5
93.07049	15.0
94.06557	1.1
95.04979	4.1
95.08616	10.6
97.06533	5.3
97.10186	1.0
103.05474	1.4
105.06386	1.4
105.07041	20.7
106.06548	2.0
107.04942	2.6
107.08601	36.8
109.06519	2.7
109.10156	9.4
111.08045	1.1
115.05452	1.6
117.07009	5.8
118.06545	2.8
119.06121	0.8
119.08585	22.7
120.08083	1.0
121.06491	3.0
121.07481	0.6
121.09444	0.4
121.10146	20.8
123.08051	2.0
123.11707	3.5
129.06999	2.7
130.07767	1.8
131.08574	23.4
133.07614	1.7
133.10133	28.7
134.10489	1.1
135.08054	11.0
135.11703	11.7
143.08615	3.6
144.09270	1.0
145.06438	1.1
145.10127	12.5
146.05949	1.5
147.08098	1.3
147.09196	1.0
147.11681	7.3
148.12273	0.8
149.06006	1.5
149.07120	3.5
149.09639	6.3
149.13269	11.9
150.05479	1.5
150.96881	0.7
158.10930	9.2
161.09641	2.4
162.05582	0.8
163.14841	2.6
173.08092	0.9
173.09642	2.0
173.13275	25.8
174.13512	1.4
176.04781	1.6
176.11949	2.2
191.03378	1.3
191.07002	10.5
191.10794	5.5
191.14322	100.0
191.17902	6.3
192.06535	1.1
192.14670	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	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.1
55.05510	6.9
57.03442	2.1
57.07069	1.5
61.50847	0.6
65.03952	1.4
65.77214	0.6
66.73363	0.6
67.05511	6.9
68.27279	0.6
69.03431	26.5
69.07069	8.3
69.78021	0.6
69.81130	0.5
69.87012	1.1
69.87422	2.0
71.05013	0.9
79.05495	21.6
81.03409	1.8
81.07060	19.7
83.04981	6.6
83.08622	2.0
84.05343	0.6
85.06532	1.2
91.05479	13.4
93.07050	14.2
95.04952	2.9
95.08613	6.2
97.06540	1.6
103.05460	1.1
105.07036	18.2
107.04960	9.9
107.08597	38.0
108.08877	1.0
109.06492	3.4
109.10162	12.1
111.08075	1.4
115.05437	1.3
117.07002	3.9
118.07790	1.1
119.06033	0.8
119.08575	11.0
121.06510	6.0
121.10142	22.8
122.07284	2.9
123.08074	3.2
128.06271	0.7
129.07016	2.5
130.07776	0.9
131.08569	15.8
132.08955	0.8
133.10132	100.0
134.10451	3.6
135.08063	8.9
135.11690	7.7
137.09610	14.1
143.08580	5.9
144.09337	2.4
145.10150	9.9
146.10524	0.8
147.08064	1.2
147.11681	6.3
148.08838	1.0
149.09634	6.5
149.13266	17.4
155.08572	0.8
158.10907	11.7
161.09642	2.0
163.11214	1.3
163.14821	5.9
171.11617	1.0
173.09558	1.2
173.13266	36.1
174.13568	1.3
176.11974	1.0
191.10658	2.0
191.14317	58.7
192.14604	2.0
198.48700	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03945	1.0
55.01871	5.2
55.05507	1.7
57.07078	0.6
59.04985	0.6
64.65862	0.3
65.03905	0.3
66.05806	0.2
67.05507	1.6
69.03426	0.6
69.07067	18.5
69.19528	1.9
70.07391	0.4
71.04974	0.4
77.03919	0.6
77.16296	0.2
79.05495	3.0
81.03409	0.3
81.07049	1.8
83.04972	2.5
83.08611	0.8
91.05474	6.1
93.07044	16.8
95.04938	0.9
95.08602	2.6
97.06523	2.4
98.22591	0.4
105.04465	0.3
105.07027	3.6
105.79001	0.3
107.04943	0.6
107.08591	10.9
109.06503	1.0
109.10130	1.6
115.05428	0.5
117.07018	1.9
119.08571	3.3
121.06501	19.3
121.09312	0.5
121.10143	9.1
122.06834	0.5
123.08070	2.9
129.06989	0.6
131.08563	5.8
133.10123	6.9
135.08047	8.3
135.11690	3.4
136.08801	0.4
137.09616	1.2
143.08545	1.0
144.09303	0.5
145.10130	2.7
147.11681	26.0
148.12000	1.1
149.09612	3.5
149.13258	8.6
150.13618	0.3
158.10927	1.7
161.09613	8.0
162.10010	0.4
163.11218	0.7
163.14812	1.9
173.09572	0.5
173.13264	9.7
174.13582	0.4
176.11977	2.3
179.14868	0.3
190.04778	0.3
191.03378	1.2
191.14302	100.0
192.14648	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.16397	1.5
53.03951	3.7
55.05508	5.7
57.07070	6.5
59.04997	2.9
65.03940	2.3
65.28721	1.9
67.05515	19.9
69.03429	5.0
69.07060	7.1
71.04996	11.6
77.39975	1.7
79.05493	21.5
81.07063	15.5
83.04993	4.5
83.08618	4.8
85.06534	6.4
91.05484	31.0
93.07048	31.6
95.04991	10.3
95.08625	12.9
97.06517	4.3
103.05455	2.8
105.06393	2.2
105.07040	33.1
107.04943	4.0
107.08598	48.8
109.06531	14.8
109.10162	47.7
109.10918	2.7
115.05450	4.1
116.06252	2.5
117.07053	9.5
118.06591	2.0
118.07745	1.7
119.08580	20.6
121.06499	6.7
121.10145	28.9
123.08052	10.4
128.06183	1.6
129.06995	10.0
130.07817	3.6
131.08568	76.7
133.06506	3.0
133.10133	19.5
135.07085	3.5
135.08060	47.8
135.11679	8.5
143.08565	9.3
144.09344	6.3
145.06461	1.8
145.10127	46.5
145.11275	3.0
146.05986	3.2
146.10425	1.8
147.08058	3.0
147.11691	20.3
148.08838	2.2
149.06042	1.7
149.09671	8.6
149.13255	15.7
150.10355	2.1
158.10913	17.6
161.09637	2.2
162.05574	1.5
163.11151	3.1
163.14825	3.8
173.13266	87.6
174.13617	4.5
176.11946	2.3
191.10603	8.2
191.14316	100.0
191.17934	3.6
192.14719	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	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
55.01868	3.6
55.05511	8.0
57.03431	2.8
57.07070	3.3
57.17630	1.4
59.06104	1.9
60.00771	1.2
65.03936	2.8
67.05506	15.0
69.03429	34.5
69.07068	19.9
69.09460	10.8
70.06602	1.8
71.04987	4.3
79.05494	13.7
81.04552	1.8
81.07048	16.3
83.04971	9.1
83.08611	5.5
85.06538	4.0
87.73853	1.3
91.05479	28.5
93.07048	20.9
95.04978	13.8
95.08607	16.7
97.06509	8.5
105.07032	35.6
106.07359	1.3
107.04971	3.1
107.08595	58.4
109.06512	11.2
109.10149	12.0
111.08069	2.7
115.05447	1.6
116.06195	2.4
117.07004	9.8
119.06092	2.0
119.08587	27.1
121.06491	11.9
121.10139	43.4
122.07122	1.8
122.10509	2.4
123.08060	7.3
128.06230	1.7
129.07011	10.1
130.07765	4.7
131.08568	83.8
132.08932	1.5
133.07594	3.3
133.10135	35.7
135.08064	24.5
135.11697	12.5
135.12625	2.1
137.09627	3.4
143.08565	19.6
144.09360	7.4
145.10127	31.7
146.06026	2.1
147.08104	1.5
147.11693	19.9
149.09630	11.3
149.13242	22.5
156.09305	1.9
158.10916	30.2
160.05048	5.0
161.09579	2.0
163.07555	1.5
163.14844	8.8
171.11702	2.2
173.13257	89.7
174.13559	4.1
176.11998	2.3
182.01698	1.5
191.06927	1.7
191.10641	3.0
191.12907	4.8
191.14319	100.0
192.14594	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	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.3
55.01875	5.1
55.05504	10.4
56.96580	2.8
57.03424	4.1
57.07079	3.2
59.06111	5.1
60.85734	2.2
67.05493	12.7
69.03431	25.0
69.07088	12.5
69.12332	5.1
69.12745	14.2
71.04988	5.0
79.05489	12.2
81.04543	6.5
81.07060	13.4
83.04998	12.0
83.08624	5.7
90.33617	2.4
91.05483	30.3
93.07047	26.5
95.04971	12.6
95.08616	16.1
97.06522	5.9
98.22624	4.8
103.05454	3.5
105.07035	35.6
107.04926	4.3
107.08595	58.3
109.06516	10.9
109.10174	5.0
110.31584	2.3
114.42428	2.6
117.07034	15.3
117.55690	2.1
119.08595	26.6
121.06541	12.4
121.10150	46.5
122.07133	2.7
123.04394	3.5
123.08073	7.4
125.60487	2.2
129.06993	10.3
130.07784	4.4
131.04924	7.4
131.08568	90.5
132.95842	2.8
133.07603	8.0
133.10118	36.6
135.08072	15.6
135.11661	14.8
140.07118	2.6
143.08562	17.0
144.09380	5.8
145.10126	38.1
146.05972	2.8
147.11697	25.3
149.05948	9.4
149.09599	13.4
149.13274	18.8
158.10898	28.6
160.05101	5.9
161.09599	2.6
163.11201	4.7
163.14828	9.3
173.09634	4.1
173.13264	94.2
174.13657	3.0
176.12080	2.5
178.39389	2.6
188.54913	2.6
191.07018	7.4
191.10701	9.9
191.12880	8.2
191.14328	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	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03946	1.9
54.93578	1.3
55.01880	1.3
55.05498	3.9
57.07063	2.4
59.04988	1.6
67.05503	5.5
69.03439	7.5
69.07069	9.1
69.42904	3.6
69.43306	3.2
71.04988	4.5
79.05486	9.5
81.07059	9.6
81.12527	1.0
83.04991	7.4
83.08615	3.7
85.06538	2.5
91.04966	2.0
91.05486	20.6
93.07045	15.7
95.04945	5.3
95.08617	7.7
97.06528	7.0
98.23302	2.5
103.05474	1.3
105.07034	40.7
105.71085	1.1
106.07356	1.9
107.08596	42.0
109.06487	6.0
109.10167	5.8
111.08072	1.3
115.05440	2.2
117.07050	6.3
118.07778	1.5
119.08580	20.1
121.06493	6.0
121.10136	23.4
122.07261	1.6
123.08072	5.2
129.07008	3.0
130.07797	2.5
131.08568	40.8
132.08850	1.1
133.10129	100.0
134.10457	2.5
135.08035	13.9
135.11662	3.0
137.99355	1.2
143.08545	10.6
144.09314	4.3
145.10120	22.0
147.11682	15.2
148.08813	2.4
149.09608	7.0
149.13246	23.5
158.10934	14.6
160.74741	1.1
161.09566	2.7
163.11252	1.5
163.14803	4.7
164.91055	1.3
173.13268	56.4
176.11998	1.4
191.14310	75.6
192.14655	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.7
53.44481	0.8
55.01865	1.7
55.05515	5.5
57.03424	0.7
57.07063	1.0
65.03934	1.0
67.05497	3.5
69.03086	1.0
69.03435	13.5
69.07074	5.5
69.81042	3.3
71.04982	2.2
75.56078	0.7
79.05128	0.7
79.05501	8.0
80.05004	0.9
81.07061	3.4
83.04986	9.6
83.08606	2.0
85.06518	1.3
91.05485	18.2
93.07050	8.9
95.04967	1.9
95.08616	4.5
97.06561	4.6
103.05486	1.8
105.07036	20.7
107.04975	1.3
107.08598	41.7
109.06512	2.2
109.10171	2.0
111.08076	0.8
115.05474	2.0
116.06236	2.1
117.07020	6.0
119.08575	7.6
121.06495	4.1
121.10146	15.6
122.07272	1.0
123.08046	4.0
128.06303	0.9
129.07036	5.5
130.07748	1.3
130.37080	0.8
131.04863	0.7
131.08571	41.9
132.08934	1.3
133.10130	57.2
134.10475	1.4
135.08063	10.5
135.11682	2.6
136.08775	1.0
143.08562	5.6
144.09323	2.0
145.10121	13.2
147.07977	1.1
147.11691	6.9
148.08849	1.2
149.09604	3.9
149.13274	10.2
156.09402	0.8
158.10921	9.6
161.09615	4.9
163.14819	1.9
171.57684	0.7
173.09641	2.2
173.13260	28.5
174.13661	0.7
176.11983	2.0
191.07036	3.4
191.10756	4.0
191.14310	100.0
192.10123	1.3
192.14658	3.5
201.40387	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01854	0.8
55.05512	5.0
57.03417	1.2
57.07065	2.1
66.95338	0.6
67.05486	3.0
67.93137	0.6
69.03088	1.0
69.03432	13.5
69.07073	6.4
70.07587	1.4
70.07990	1.1
71.00444	0.6
71.04989	2.0
79.05495	8.6
81.07046	2.9
83.04979	11.4
83.08607	1.6
85.06538	1.6
91.05476	14.6
92.05790	0.6
93.07037	8.7
95.04948	1.7
95.08620	4.6
97.06518	3.8
98.22753	0.9
103.05473	0.7
104.94408	0.6
105.07031	21.1
106.06536	0.8
107.04971	1.1
107.08597	41.4
108.08929	1.0
109.06512	2.5
109.10112	1.1
111.08138	0.6
115.05453	1.6
116.06194	1.6
117.07023	3.9
119.08582	9.4
121.06519	4.7
121.09312	1.0
121.10143	14.6
123.08049	2.9
129.06987	2.6
130.07782	0.9
131.08572	32.1
133.10127	56.7
134.10471	1.1
135.08049	10.5
135.11670	2.6
143.08560	5.3
144.09314	1.7
145.10127	12.4
145.70695	0.6
147.08032	0.7
147.11708	7.5
149.09651	4.1
149.13266	10.5
150.13556	1.0
158.10890	10.4
161.09613	4.9
163.14827	1.9
173.09602	1.6
173.13257	29.3
174.13609	1.1
176.11905	2.2
191.10631	2.1
191.14302	100.0
192.14622	4.3
194.53406	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01870	2.4
55.05510	7.4
57.03432	2.4
57.07058	3.2
58.64248	1.4
59.04988	1.8
67.05490	5.5
69.03422	6.6
69.06756	1.5
69.07066	11.4
70.92173	2.4
71.04968	2.5
79.05477	12.3
81.07050	11.5
83.04969	5.2
83.08619	3.8
85.06547	3.3
91.05477	25.1
93.07043	19.4
95.04977	4.2
95.08603	10.3
97.06548	6.3
103.05430	1.6
105.07027	48.7
107.04998	1.3
107.08600	39.0
109.06491	4.3
109.10170	9.8
115.05455	1.5
116.06238	2.4
117.06973	6.9
118.06509	1.2
119.08578	25.0
121.06485	6.3
121.10143	26.9
122.07278	1.8
123.08051	7.9
129.07014	4.8
130.07779	2.1
131.08566	46.0
133.10129	100.0
134.10426	2.7
135.08054	19.8
135.11684	6.2
136.08751	1.9
143.08534	9.4
144.09306	3.4
145.06535	1.5
145.10124	23.1
146.06007	1.9
147.08067	2.4
147.11682	16.1
148.08809	2.2
149.09613	8.0
149.13254	29.5
150.10379	6.0
158.10909	17.5
160.16751	1.6
161.09648	2.6
163.11206	2.5
163.14845	3.9
171.11716	1.5
173.13257	59.9
174.13559	2.4
176.11841	1.8
191.07086	2.6
191.10638	3.8
191.14305	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03950	2.1
55.05507	5.8
57.03431	2.3
57.07072	2.1
67.05511	5.0
69.03432	20.1
69.07069	6.0
70.01752	0.6
70.88936	1.0
79.05492	15.6
80.70988	0.5
81.03429	1.3
81.07054	12.8
83.04981	6.2
83.08593	1.5
85.06533	1.6
89.90224	0.5
90.71863	0.6
91.05474	9.0
93.07047	10.7
95.04960	1.8
95.08613	5.9
97.06552	0.9
103.05486	1.1
105.07030	16.4
107.04951	7.9
107.08595	32.1
109.06519	2.0
109.10158	12.0
110.10491	0.8
111.08026	0.9
115.05454	1.7
117.07011	2.5
118.07798	1.6
119.06135	0.6
119.08578	7.9
121.06519	4.3
121.10146	21.9
122.07273	2.6
123.08098	3.0
129.07022	1.6
131.08569	10.5
133.10127	100.0
134.10439	3.0
135.08046	6.6
135.11705	4.4
137.09610	13.0
143.08559	4.6
144.09351	1.3
145.10141	5.8
147.08023	0.6
147.11690	4.2
149.09639	3.3
149.13255	16.6
150.13603	0.7
158.10921	9.0
161.09668	1.0
163.14804	4.0
173.13260	24.7
174.13538	1.1
191.14302	36.6
192.14665	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.0
54.71249	2.7
55.01857	2.8
55.05515	12.6
57.07070	3.2
67.05504	14.8
69.03082	3.9
69.03428	40.3
69.07065	12.4
69.11536	20.0
79.05495	78.9
79.13811	2.6
81.07062	52.3
81.33339	2.8
83.04993	16.9
83.08607	3.6
84.05231	3.3
91.05489	27.4
93.07046	21.9
95.04954	8.5
95.08601	7.7
97.06554	4.7
105.04497	3.7
105.07027	23.3
107.04949	41.1
107.08593	85.4
109.06487	8.7
109.10139	10.1
117.06995	4.7
119.06064	3.0
119.08607	13.0
121.06506	18.1
121.10180	23.2
123.08048	5.3
131.08580	23.4
133.10133	100.0
135.08083	14.3
135.11713	6.2
137.09618	24.3
143.08566	6.6
145.10129	12.2
147.11644	3.4
149.09610	7.6
149.13237	17.4
158.10910	9.5
163.14865	2.9
169.70378	2.7
173.13275	24.6
173.94702	2.4
191.14308	92.4
192.14621	3.4
208.14435	2.9
208.49872	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	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.6
55.01879	3.3
55.02110	0.7
55.05511	2.9
57.03423	0.7
57.07066	0.6
58.23679	0.6
67.05499	1.8
69.03431	3.4
69.07072	14.4
69.61191	0.5
70.01119	0.5
79.05497	4.0
81.03381	0.5
81.07050	2.5
82.44595	0.6
83.04989	4.2
83.08622	1.0
84.31690	0.5
85.34715	0.6
87.56040	0.5
89.21931	0.5
91.05475	6.7
93.07046	14.1
95.04942	1.0
95.08598	2.7
97.06506	1.6
98.22643	1.6
105.07039	5.9
107.04973	1.3
107.07874	1.0
107.08601	19.1
108.84678	0.6
109.06517	1.5
109.10146	1.4
117.07014	2.2
119.08604	3.9
121.06512	18.3
121.10140	11.1
123.08058	1.9
129.06993	1.0
131.08562	6.9
133.10129	8.5
135.08051	7.9
135.11705	2.9
137.09644	0.7
143.08571	1.8
144.09377	0.5
145.10120	6.8
147.11687	20.8
148.12083	0.6
149.09615	3.4
149.13263	7.4
158.10968	3.0
161.09607	6.1
163.11259	1.3
163.14775	1.2
171.84201	0.5
173.09654	1.0
173.13264	10.1
176.11932	2.1
191.03375	2.3
191.10661	2.3
191.14311	100.0
192.14670	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	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
55.01880	3.2
55.05503	2.5
57.07084	0.7
67.05502	0.9
69.03441	3.1
69.07070	14.8
70.40250	0.7
79.05496	3.7
81.07050	1.9
83.04963	2.8
83.08643	0.7
87.52570	0.6
91.05486	6.5
93.07042	14.6
95.04952	1.5
95.08612	3.1
96.43492	0.7
97.06543	1.5
105.04520	0.7
105.07041	3.9
105.21806	0.6
107.04980	0.6
107.08596	18.2
109.06518	1.6
109.10165	1.0
111.08051	0.7
116.67847	0.5
117.07023	1.6
119.08571	3.8
121.06512	17.1
121.10141	10.3
123.08069	2.2
126.64834	0.6
129.06972	0.7
131.08583	6.2
133.10129	8.4
135.08064	6.0
135.11682	2.5
137.09567	1.1
141.41476	0.7
143.08539	1.4
145.10156	3.9
147.11685	24.4
148.12048	1.0
149.09633	3.6
149.13261	7.4
153.97528	0.6
158.10844	3.0
159.61137	0.6
161.09621	6.5
163.14832	1.1
173.13274	10.0
176.12019	2.0
191.14313	100.0
192.14719	3.5
205.52104	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1382
Annotation	DEET
Peak:m/z	Relative Intensity
55.01871	0.4
55.05518	0.4
57.03441	0.7
64.92637	0.2
65.03940	2.1
65.40971	0.2
66.25005	0.2
67.05501	1.7
69.07088	0.2
69.42104	0.5
69.42505	0.3
72.04518	5.9
72.08136	0.4
79.05499	0.6
81.03428	1.7
81.07069	0.3
83.04989	0.2
84.83511	0.1
89.53254	0.2
91.05477	8.3
92.05819	0.2
93.07028	0.8
95.04960	0.9
95.08605	0.2
97.06434	0.2
100.07621	5.4
105.07033	0.8
107.04929	0.2
107.08601	0.3
109.06516	6.5
109.45581	0.2
115.02853	0.2
118.06583	0.3
119.04942	100.0
119.05946	3.3
119.08559	0.9
120.05277	2.2
121.06511	0.5
129.07018	0.2
131.08603	0.3
133.10155	0.9
137.09561	0.3
147.11713	0.7
175.11214	0.4
192.13823	36.7
193.09923	0.2
193.12283	0.5
193.14169	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0859
Annotation	(+)-Harzialactone A
Peak:m/z	Relative Intensity
53.03943	9.6
55.01871	39.4
55.05511	13.5
56.96564	10.9
57.03417	7.2
65.03921	6.7
67.05499	30.7
68.99777	2.4
69.03426	23.6
69.07042	1.8
69.39722	10.3
70.06577	3.2
71.01348	4.2
71.04993	2.1
73.02887	2.6
74.97556	1.8
79.05486	45.6
81.03420	42.7
81.07050	17.5
83.01335	3.0
83.04976	28.5
84.96007	2.7
85.02885	11.4
91.05477	100.0
92.05795	2.9
93.07043	33.3
95.01327	10.5
95.04963	32.7
95.08603	14.2
96.77573	1.7
97.02891	21.6
97.06518	10.2
97.21611	2.0
98.97556	5.9
103.05436	10.9
105.03382	3.2
105.04505	3.8
105.07024	41.7
107.04947	37.3
107.08593	14.1
109.02874	8.9
109.06516	26.9
109.10139	4.0
111.04435	12.9
111.07278	2.3
115.05440	8.6
116.06188	2.7
116.91039	1.9
116.98639	2.4
117.07008	35.8
119.04956	12.6
119.08574	62.9
120.08128	2.4
121.06499	32.6
123.04414	14.7
123.08064	21.7
125.02303	2.5
125.05954	5.9
128.06200	8.0
129.06992	28.7
131.04910	5.2
131.08517	2.6
132.05682	6.8
133.06496	32.1
133.07458	2.0
134.07202	3.3
135.04381	5.3
135.08057	23.0
137.06010	11.4
137.09566	7.6
145.06485	9.8
147.04411	8.9
147.08035	86.6
148.07520	4.8
148.08536	2.5
149.05992	30.2
149.10756	2.0
151.03928	2.5
151.07523	13.6
157.06454	6.4
159.03273	2.7
160.05107	3.6
161.04655	10.1
161.05827	2.4
162.06665	3.4
163.07523	19.6
164.08209	2.4
165.05423	5.8
165.09103	19.7
166.08617	2.5
170.05128	4.9
170.99712	2.1
175.07503	40.6
175.08937	2.6
189.00690	4.3
193.04961	9.3
193.08551	74.2
193.10197	4.0
193.13391	3.3
194.08064	5.6
194.15477	3.5
212.78934	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.35284	0.6
53.03948	2.7
54.16109	0.7
54.56416	0.6
55.01871	2.7
55.05275	0.7
55.05521	8.5
57.03440	1.2
59.05010	1.0
64.50330	0.6
67.05510	7.4
69.07063	2.5
71.02763	0.8
71.04990	4.6
76.36320	0.6
76.75210	0.6
77.03942	1.1
79.05499	14.4
81.03407	1.1
81.07063	6.4
83.04981	1.7
85.02886	0.9
85.06563	0.6
87.04471	1.7
91.05487	57.6
92.05807	1.6
93.06468	1.4
93.07051	26.2
94.07380	1.0
95.04989	3.6
95.08630	0.8
97.06571	1.0
101.06052	0.7
103.05463	1.3
105.07038	76.1
106.07366	2.2
107.08592	5.2
109.06512	2.4
109.10127	0.7
115.05432	1.1
116.06291	0.9
117.07042	4.0
119.08587	49.2
119.31561	0.6
120.08900	1.1
121.06490	0.7
121.10130	1.3
128.06250	1.5
129.07014	14.9
131.08574	22.0
133.06520	3.1
133.10138	100.0
134.10454	3.2
138.05449	0.9
142.07787	3.4
145.10130	2.2
147.08034	2.9
147.11693	26.6
148.11987	1.4
149.09618	11.7
157.10153	10.5
168.49574	0.6
175.11182	27.2
176.11568	0.9
193.05013	1.3
193.12248	13.7
193.13971	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1223
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03947	2.6
53.39627	0.5
55.01871	3.2
55.05509	7.9
57.03433	1.2
59.05003	1.2
65.03924	1.0
67.05503	7.6
69.07061	2.4
69.20610	3.9
71.04990	3.5
77.03909	1.1
79.05492	15.3
81.03412	5.1
81.07050	7.5
81.07864	0.5
83.04982	2.4
83.08631	0.7
85.02903	1.3
85.06528	0.8
87.04469	2.3
88.66528	0.5
91.05480	58.0
92.05804	1.3
93.07043	26.5
94.69225	0.5
95.04964	5.2
95.08624	1.4
97.06500	1.0
99.04442	0.6
101.06009	0.9
103.05481	1.4
105.04548	1.3
105.07027	73.5
106.07370	2.3
107.04964	1.0
107.08601	6.0
109.06507	3.7
111.08118	0.5
115.05418	1.7
116.06216	1.8
117.07024	4.2
118.07781	0.8
119.04950	0.6
119.08578	49.1
120.08916	2.0
121.06473	1.2
121.10121	1.9
128.06204	1.1
129.06029	0.7
129.07004	17.5
131.08566	24.5
132.08899	0.9
133.06544	2.9
133.10124	100.0
134.10408	3.5
135.11700	1.0
142.07787	3.9
145.10107	1.9
147.08051	3.9
147.11685	26.6
148.12012	1.2
149.09616	7.5
151.11241	1.0
155.26962	0.5
157.10123	10.6
175.07605	0.9
175.11172	23.7
175.14705	1.2
176.11504	1.4
184.34631	0.5
193.12233	14.8
193.15927	1.4
194.12596	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03952	4.3
55.01867	2.3
55.05512	10.8
55.06266	0.8
57.03428	3.0
57.07070	2.0
59.04991	1.6
65.03932	2.1
65.55141	0.6
67.05506	17.0
69.03427	3.0
69.07069	7.6
71.04984	7.4
71.29543	1.2
79.05489	19.5
80.05005	4.1
81.03418	27.3
81.07053	15.9
82.93936	0.6
83.04990	3.2
83.08616	4.1
85.02862	1.0
85.06549	2.3
87.04446	1.5
87.38674	0.7
91.05483	50.8
92.04951	1.0
92.05825	1.0
93.05798	1.0
93.07045	29.0
93.07635	1.5
94.06561	1.3
94.07372	1.2
95.04968	27.7
95.08614	11.6
97.02882	1.4
97.06536	1.9
97.10148	1.5
99.04450	1.2
99.08131	0.7
103.05470	2.8
105.07030	65.8
106.07362	2.3
107.04994	3.9
107.08594	17.8
107.09293	1.3
109.06527	10.9
109.10152	15.5
110.06053	1.1
110.06847	0.8
111.04441	1.0
111.08083	2.4
115.05453	1.9
116.06240	0.9
117.07011	4.4
118.07825	0.8
119.04958	1.2
119.08579	55.2
120.08900	1.2
121.06511	2.1
121.10130	4.1
123.04391	1.2
123.08059	5.2
123.11691	5.1
128.06229	1.0
129.07014	12.8
131.08563	13.6
133.06509	2.8
133.10127	100.0
134.10478	3.0
135.08075	2.2
135.11681	20.8
137.05975	2.0
137.09601	5.6
138.05493	7.6
142.07797	3.7
145.10147	1.8
146.06055	0.7
147.08052	5.1
147.11687	30.2
149.05927	0.7
149.09601	3.0
149.13255	1.6
151.07536	2.6
151.11189	3.5
157.10114	6.8
165.12831	1.4
166.12257	1.2
167.92920	0.7
175.07510	0.8
175.11188	17.8
175.14832	21.7
178.07803	1.0
193.04971	1.3
193.08502	1.2
193.10179	2.0
193.12221	14.8
193.15878	20.1
194.08070	0.9
194.11699	3.4
194.15399	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03949	8.1
55.01873	5.9
55.05512	12.6
57.03439	41.8
65.03954	5.4
67.05507	34.4
68.05849	1.8
69.03427	6.1
69.06097	11.1
69.07075	5.3
71.04993	4.5
72.04523	3.6
73.04859	2.1
79.05495	28.4
80.05019	2.2
81.03419	100.0
81.07056	22.8
83.04977	6.3
83.08616	12.2
85.06557	3.9
91.05480	52.5
92.05828	5.3
93.07041	37.3
95.04968	44.6
95.05561	2.5
95.08601	10.7
96.05272	2.0
97.02891	3.1
97.06551	4.8
99.04503	1.9
99.08089	2.7
100.07634	2.8
101.07965	2.0
103.05493	3.1
105.07030	41.9
107.04961	8.9
107.08603	9.3
109.06513	10.4
109.10145	12.8
110.06873	3.6
111.04456	3.4
111.08078	2.6
115.05454	2.1
117.07031	6.1
119.04949	37.7
119.08580	55.8
120.05276	60.2
120.08970	1.7
121.06515	24.1
121.10188	6.2
123.04430	2.7
123.08142	1.6
129.07007	11.6
131.08563	11.1
133.06488	7.4
133.10132	40.4
135.08072	3.2
135.11664	2.3
137.05984	2.3
137.09604	22.3
138.05527	4.4
142.07796	6.1
145.06476	1.5
145.10120	2.4
146.07335	2.2
147.08040	11.2
147.11685	25.3
148.12018	1.4
149.02373	2.2
149.09657	4.1
151.07571	2.5
157.10132	11.8
160.08847	4.6
161.09337	1.4
164.07169	1.3
165.12775	3.0
175.11171	29.6
175.14804	4.4
178.07753	2.7
193.04948	3.7
193.08530	2.0
193.10193	2.9
193.12268	23.2
193.14201	32.6
193.15913	4.2
194.08118	1.9
194.15405	7.8
214.75555	1.4
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
53.03947	2.7
55.01871	3.2
55.05513	9.5
57.07072	2.6
59.05010	1.3
60.68733	1.3
65.03938	1.2
67.05508	21.7
69.03427	2.8
69.07075	12.4
69.13023	9.0
71.05005	7.0
79.05492	16.3
80.05016	4.9
81.03426	10.0
81.07056	21.5
83.04972	3.3
83.08621	6.0
85.06552	4.3
91.05485	30.2
91.06017	2.3
93.05807	1.9
93.07050	26.4
95.04972	14.4
95.08614	22.2
97.02874	1.9
97.06532	5.1
97.10207	1.3
98.23468	2.3
99.08081	2.3
103.05495	1.5
105.04494	1.2
105.07036	39.2
106.07298	1.3
107.04975	1.7
107.08595	36.9
109.06517	11.7
109.10161	42.6
110.06042	2.0
110.10507	1.1
111.04463	1.4
111.08103	4.1
117.07031	4.0
119.04967	1.3
119.08587	49.8
119.35505	1.2
121.10142	9.5
123.08074	11.3
123.11685	11.1
125.09599	1.4
129.07007	7.1
131.08568	9.4
133.06496	3.3
133.10133	100.0
134.10486	2.7
135.08072	3.4
135.11700	49.7
136.12021	2.3
137.09608	11.7
138.05479	8.7
138.10478	2.2
142.07742	1.4
145.10098	2.8
147.08054	2.4
147.10626	1.8
147.11699	21.9
149.09631	3.1
149.13289	5.6
151.11211	2.0
151.14880	1.7
157.10133	5.1
158.27367	1.1
165.12877	2.2
166.12314	2.0
175.07483	1.3
175.11272	9.2
175.14821	52.9
176.15111	1.6
178.07809	2.2
193.04979	1.7
193.10191	1.0
193.10666	1.2
193.12302	10.9
193.15910	46.7
194.08109	2.1
194.11778	3.5
194.15303	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
50.87362	0.8
53.03941	4.1
55.01860	2.3
55.05512	8.6
57.03437	1.7
57.07064	1.4
59.04983	1.0
65.03939	2.6
67.05505	14.6
69.03416	1.8
69.07069	9.3
70.00130	2.3
70.00494	1.3
71.04995	7.2
79.05499	16.8
80.05017	2.3
81.03422	25.1
81.07059	16.0
83.04966	3.1
83.08621	5.0
85.02885	1.5
85.06526	2.0
91.05480	41.5
93.05785	0.9
93.07047	27.5
95.04972	24.8
95.08603	12.5
97.06526	3.2
97.10176	1.4
98.22704	0.9
99.04442	1.0
99.08077	1.3
103.05493	1.1
105.04493	1.9
105.07034	53.5
107.04961	2.3
107.08604	22.6
109.06523	9.3
109.10162	31.1
110.06030	0.9
111.04456	1.4
111.08054	2.4
115.05483	1.3
117.06985	4.1
119.08586	51.1
120.08881	1.4
121.06491	1.3
121.10159	6.8
123.08088	5.4
123.11709	6.9
125.09714	1.0
127.55180	0.7
129.07004	9.5
131.07677	1.3
131.08572	12.7
133.06512	3.2
133.10130	100.0
134.10455	3.0
135.08122	1.2
135.11699	37.5
136.12097	1.0
137.09637	5.8
138.05515	4.6
142.07767	2.1
145.10170	1.8
147.08075	4.1
147.11696	19.1
149.09644	2.5
149.13240	2.6
151.07526	1.2
151.11172	1.7
157.10133	4.4
161.28983	0.8
165.12807	1.3
173.39951	0.8
175.07507	0.8
175.11209	14.6
175.14833	31.2
176.15228	1.4
178.07922	0.9
193.04948	0.9
193.08601	1.9
193.10234	1.3
193.12276	11.8
193.15883	31.6
194.08154	1.6
194.11775	2.4
194.15614	0.8
213.91443	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
53.03954	0.9
55.05511	5.0
57.07076	4.2
57.10823	0.4
58.79607	0.4
59.04993	1.5
65.03937	0.6
67.05510	7.8
69.03446	0.6
69.07068	11.9
69.25625	1.4
69.26048	1.3
72.36120	0.5
75.19426	0.5
77.03945	0.6
79.05495	2.9
81.03420	1.7
81.07054	7.8
83.04989	1.3
83.08617	3.8
85.06544	1.5
91.05473	8.8
93.07044	8.6
95.04965	1.8
95.08605	21.0
97.10214	0.6
98.22630	0.8
103.05451	0.5
105.07029	15.9
106.07394	0.7
107.08593	8.5
109.06528	1.8
109.10154	18.9
113.46090	0.5
115.05477	0.7
117.07016	2.7
119.08578	61.9
119.82298	0.4
120.08880	1.0
121.10147	5.0
123.08055	2.9
123.11721	2.2
131.08591	2.8
132.09320	0.6
133.10127	76.2
134.10379	2.3
135.10663	0.9
135.11691	18.8
137.09622	6.6
145.10115	4.8
146.10858	0.5
147.11682	17.8
149.13257	7.2
151.14813	4.0
157.10120	0.5
159.11674	1.5
160.12454	3.0
173.13235	1.6
175.14816	100.0
176.15131	3.7
193.12199	0.7
193.15869	16.5
194.16190	0.8
201.40691	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03930	4.5
53.49452	0.9
55.01867	3.3
55.05513	11.6
57.03425	2.9
57.07064	2.9
59.05005	1.4
65.03932	3.1
67.05507	30.9
69.03436	4.5
69.07071	17.7
71.04992	5.7
71.29122	0.9
71.29492	1.6
77.03914	1.0
79.05495	24.6
80.05014	8.8
81.03422	44.1
81.07059	40.8
82.07390	0.9
82.49373	0.9
83.04988	6.3
83.08619	8.5
85.02920	1.0
85.06532	4.1
91.05482	43.5
92.04993	1.3
93.05791	3.0
93.07043	41.6
94.06564	1.3
94.07359	1.2
95.04972	25.0
95.08610	34.1
96.04525	1.5
97.02892	5.4
97.06538	4.6
97.10188	1.2
98.06017	1.0
99.08101	2.7
105.04536	1.6
105.07033	55.9
106.06500	1.2
107.04968	5.1
107.07861	1.9
107.08593	36.1
108.08857	0.9
109.06528	10.0
109.09455	1.7
109.10159	27.8
110.06036	3.1
110.10490	1.0
111.04394	1.8
111.08082	13.5
115.05442	2.2
116.59829	0.8
117.07060	4.7
119.04930	1.5
119.08581	86.3
120.04505	1.2
120.08147	1.2
120.08896	2.0
121.06538	1.0
121.10136	14.5
123.04456	1.3
123.08064	6.2
123.11710	7.0
125.02321	1.5
129.06998	9.0
131.08583	12.1
133.06519	3.7
133.10130	100.0
134.10510	3.9
135.08057	1.4
135.11696	33.4
137.05977	1.0
137.09610	9.4
138.05501	18.8
142.07813	2.3
145.10123	3.4
146.10936	1.1
147.04442	1.0
147.08029	4.0
147.11691	38.7
147.12886	2.0
148.07599	1.4
148.12070	1.4
149.02350	1.3
149.06058	1.1
149.09633	7.0
149.13263	10.3
151.07603	1.2
151.11179	3.6
157.10136	7.7
163.14812	6.3
165.12830	1.3
166.12280	3.2
169.91751	0.9
173.13126	0.9
175.07620	1.2
175.11247	11.2
175.14827	78.3
176.15106	2.4
178.07678	1.9
193.04927	2.4
193.06633	0.8
193.08537	1.6
193.10152	2.8
193.12241	16.7
193.15892	46.2
194.08105	2.9
194.11714	7.4
194.15263	4.5
196.65729	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
53.03951	2.3
55.01861	3.0
55.05513	11.1
57.07069	2.5
58.49892	1.7
67.05504	19.9
69.07072	12.3
69.15885	15.0
70.73732	1.7
71.04996	7.8
79.05500	11.3
81.03428	19.6
81.07072	19.8
83.04981	4.0
83.08638	6.5
85.06548	4.9
85.77932	1.6
91.05480	28.5
93.07048	28.7
95.04968	15.9
95.08610	18.5
97.06532	6.7
97.10183	2.0
105.07032	36.7
107.08599	47.4
109.06541	11.6
109.10161	87.6
110.10549	2.1
111.08132	4.5
117.07038	1.8
119.08582	45.5
121.10154	11.2
123.08091	10.4
123.11697	10.6
125.09672	2.3
129.07024	5.5
131.08572	6.9
133.10139	100.0
134.10455	2.6
135.11703	77.5
136.12045	2.2
137.09599	13.4
138.05519	2.4
138.13626	1.6
145.10167	1.8
147.08066	3.0
147.11693	16.4
149.09668	4.3
149.13286	4.2
151.11223	3.8
151.14783	2.6
157.10225	3.4
165.12831	2.1
175.11237	7.8
175.14830	77.0
176.15115	2.3
193.12283	7.8
193.15926	75.4
198.70271	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
50.28110	1.9
55.05515	11.4
65.38743	2.2
67.05520	12.2
69.07071	26.3
71.05001	15.8
71.28162	3.3
79.05511	8.3
81.07066	24.6
83.04991	7.8
83.08617	2.6
85.06549	13.5
91.05479	8.6
93.07047	30.0
95.04978	39.3
95.08600	19.8
97.06548	2.5
97.10177	9.0
99.08109	5.7
105.07057	8.1
107.08596	37.9
109.06518	100.0
109.10169	14.4
111.08084	9.9
111.11717	2.4
119.08569	29.8
120.49010	2.2
121.10165	9.4
123.08067	7.6
123.11706	18.6
125.09626	2.4
131.08524	2.2
133.10156	24.3
135.11690	38.1
137.09613	17.3
147.11746	2.9
149.13289	7.8
151.11244	6.7
175.14804	44.2
175.16200	3.2
193.12265	4.6
193.15878	63.7
194.12132	2.3
194.15369	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	194.0812
Annotation	5,6-Dihydroxy-3-methyl-2-oxo-1,2,5,6-tetrahydroquinoline
Peak:m/z	Relative Intensity
50.85016	0.5
53.03948	0.7
54.03483	0.5
55.05510	1.1
56.05868	0.4
62.17352	0.5
65.03951	1.2
67.04251	1.9
67.05506	1.6
68.05032	1.1
69.03433	14.3
69.07053	0.5
69.23471	1.2
69.23878	2.6
71.05001	0.9
76.07818	0.5
79.05489	3.3
80.05016	3.7
81.03420	1.6
81.05808	0.6
81.07070	1.2
82.03381	0.5
82.06581	4.7
83.03749	0.7
88.48822	0.4
91.05487	1.4
92.05813	0.5
93.07063	1.6
94.02918	3.8
94.06583	2.0
94.07396	0.7
95.03714	4.2
95.04990	1.0
95.08646	0.6
96.04500	0.8
98.06062	2.3
98.23528	0.5
99.04449	1.1
105.07038	1.6
106.02938	0.7
106.06565	16.4
106.07328	1.6
107.07381	0.7
107.08620	0.9
108.04482	11.9
108.08111	1.2
108.08868	0.5
110.06045	6.5
110.10479	1.4
111.03185	13.9
112.26506	0.4
117.05785	1.5
118.06553	1.6
119.08612	1.1
120.08122	1.1
120.08924	3.1
121.10180	0.5
122.06038	1.3
122.10450	1.1
123.06809	3.6
123.08134	0.7
124.07588	1.4
126.05521	59.6
127.05878	1.4
132.08963	0.8
133.10141	1.4
134.06013	17.1
134.10477	4.1
135.11693	0.6
136.07587	2.2
137.09698	0.6
138.05505	100.0
138.09062	3.3
139.05838	2.0
148.07579	1.8
148.12059	1.2
149.05998	0.9
149.08267	0.6
150.05501	0.6
150.09126	1.2
151.06299	1.9
152.07076	1.5
154.93057	0.5
161.04739	1.8
162.05510	3.7
166.08643	61.2
167.08963	1.7
176.07072	2.0
176.15219	4.2
177.05583	0.5
194.08136	45.2
194.15419	1.1
195.08371	0.5
195.11493	0.8
210.76303	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.1177
Annotation	CHEBI:77433
Peak:m/z	Relative Intensity
53.03941	3.2
55.05512	1.5
57.03424	0.7
57.07071	0.2
58.31697	0.2
59.04997	2.1
65.03942	2.3
67.05504	1.2
68.05027	0.6
68.83160	0.2
69.07066	12.9
69.48716	0.2
70.06604	0.2
71.04979	0.4
71.33077	0.2
72.08166	0.3
73.06554	7.2
79.05482	0.6
80.05015	100.0
81.03437	0.2
81.04929	0.2
81.05349	1.7
81.07052	0.5
82.06571	1.9
83.04979	1.9
83.98235	0.2
84.08139	0.5
91.05476	0.6
92.05003	7.2
93.05209	0.5
93.05785	10.7
93.07020	1.2
94.06571	7.3
94.06998	0.2
95.04980	0.3
95.08601	0.6
96.04492	1.9
97.06524	0.5
98.06068	1.2
98.06607	0.2
105.07021	0.4
106.06575	0.3
106.07318	0.3
107.08592	0.6
108.08108	2.6
109.05231	1.2
109.06487	0.2
109.10165	0.8
110.05280	0.5
110.06043	10.8
110.09718	0.2
115.07563	0.2
120.04473	3.5
120.08113	0.6
121.10146	0.6
123.08077	0.2
124.07608	0.3
131.08545	0.7
134.09607	0.3
135.08177	0.2
135.11674	0.4
136.07547	0.4
136.11264	0.3
137.08334	1.6
138.05498	77.2
138.12796	1.0
139.05856	1.5
148.11171	0.8
149.09644	0.3
156.93916	0.3
157.39755	0.3
166.12273	20.9
167.12668	0.5
176.11446	0.3
194.11761	68.0
195.07918	0.5
195.12099	2.4
212.96535	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.1176
Annotation	CHEBI:77433
Peak:m/z	Relative Intensity
53.03946	1.0
55.01865	0.5
55.05507	0.6
59.04998	0.4
61.11057	0.3
65.03941	3.3
67.04250	0.5
67.05514	1.7
68.05019	0.6
69.06747	0.4
69.07063	2.4
69.16136	0.3
69.90541	0.3
70.05866	0.3
70.67590	0.3
73.02903	1.7
73.06552	1.5
78.03426	0.4
79.05482	0.5
80.05019	11.1
81.07069	0.5
82.06582	4.9
83.04978	0.7
86.75170	0.3
91.05500	0.4
92.05009	9.9
93.05199	0.6
93.05789	14.2
94.06569	19.8
95.04973	0.6
96.04501	2.5
106.06553	1.2
108.08114	0.7
110.05274	0.7
110.06039	14.6
111.06367	0.4
120.04475	4.3
122.09628	0.3
123.06802	0.7
124.07603	0.3
125.04778	0.3
133.08904	0.5
138.05501	100.0
139.05870	2.4
148.11201	5.5
149.11401	0.3
153.09137	0.3
166.12288	3.6
174.71187	0.3
194.08084	0.7
194.11766	22.6
194.15399	2.7
195.12071	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.1176
Annotation	CHEBI:77433
Peak:m/z	Relative Intensity
53.03942	0.5
53.23294	0.1
55.01885	0.9
55.05511	0.9
59.04998	0.2
65.03939	4.5
66.76841	0.1
66.80454	0.1
67.04250	0.2
67.05500	0.7
68.05026	0.7
69.07066	2.5
70.56521	0.4
73.02916	2.1
73.06561	1.6
79.05496	0.4
80.05015	11.7
81.03417	0.2
81.05364	0.3
81.05813	0.2
81.07045	0.5
82.06578	2.8
83.04975	0.7
91.05476	0.2
92.05003	11.5
93.05785	17.0
93.07037	0.4
94.06569	10.2
95.03683	0.2
95.08604	0.4
96.04504	1.1
96.08174	0.3
97.06506	0.2
106.06576	0.6
106.07312	0.2
107.08602	0.2
109.05275	0.3
110.06040	15.2
111.06418	0.2
120.04469	5.2
120.08099	0.2
120.08965	0.2
123.06799	0.7
124.07616	0.2
133.10211	0.2
134.10515	0.3
135.11710	0.3
137.08292	0.2
138.05496	100.0
138.12755	0.4
139.05855	2.1
166.12271	3.8
194.11760	16.3
194.15471	0.5
194.18965	0.3
195.08054	0.2
195.10503	0.1
195.12042	0.7
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	CHEBI:77433
Peak:m/z	Relative Intensity
51.16398	0.6
53.03947	3.4
55.05518	2.9
57.03437	1.0
59.04994	1.4
65.03939	3.7
67.05493	4.6
68.05025	1.2
68.99794	1.5
69.07066	14.1
71.04996	1.2
71.15096	0.5
73.06558	6.3
79.05492	0.9
80.05017	100.0
81.03426	0.8
81.05352	1.3
81.05794	1.1
81.07047	2.6
82.06116	1.1
82.06578	15.1
83.04988	1.7
85.06541	1.0
91.05471	2.1
92.05005	6.3
93.05790	11.3
93.07047	2.3
94.06573	11.5
95.04969	2.3
95.08587	1.1
96.04488	2.5
97.06498	1.0
97.28866	0.6
98.06065	1.7
105.07035	1.4
106.06499	0.9
107.08595	2.2
107.72658	0.5
108.04482	0.7
108.08108	2.9
109.05269	0.9
109.10168	0.6
110.06054	12.3
111.83438	0.5
113.05979	0.9
119.08598	0.6
120.04498	3.0
120.08087	1.7
121.10131	1.1
122.54871	0.5
125.09624	1.0
131.08566	2.1
133.08893	2.6
133.10260	0.5
134.06026	0.6
135.11703	1.2
136.07602	0.9
137.08363	1.6
138.05501	77.5
138.12769	1.0
139.05811	1.6
148.07515	0.9
148.11197	19.5
149.05975	0.9
149.11559	0.9
150.12738	0.6
153.09113	2.5
159.11835	0.6
166.12279	20.1
167.12547	0.5
176.10756	1.7
194.11766	69.7
194.15359	4.6
195.08185	0.6
195.10294	0.5
195.12062	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	195.0653
Annotation	trans-4-Hydroxy-3-methoxycinnamate
Peak:m/z	Relative Intensity
53.03938	1.3
55.01876	1.4
55.05509	1.5
55.49973	0.4
57.03452	1.0
62.01562	0.5
63.02383	0.8
65.03944	0.9
66.83363	0.4
67.05504	3.5
68.99782	0.8
69.03429	1.6
69.07063	1.6
70.06545	0.5
71.04993	1.6
76.73218	0.4
77.03942	0.5
77.29095	0.4
78.04712	1.7
79.05491	6.4
80.05022	7.9
81.07044	2.9
83.04990	1.7
84.04501	1.8
85.02903	1.3
85.06532	0.7
89.03917	28.0
91.05487	7.5
93.03407	1.6
93.07054	4.9
94.06557	1.0
95.04968	3.3
95.08595	1.7
97.02894	2.1
97.06532	1.4
103.05466	2.1
105.03390	1.1
105.07011	2.6
106.04179	1.9
106.06546	0.7
107.04948	3.2
107.07352	1.5
107.08604	3.7
109.06511	1.7
109.10139	1.5
110.03625	0.6
110.06012	1.8
111.04456	2.7
111.08086	0.7
117.03377	52.3
117.07014	1.0
118.03687	0.9
119.04944	1.7
119.08621	1.2
120.40820	0.5
121.02879	0.7
121.06494	4.0
121.10166	2.6
122.06053	1.0
123.08086	1.9
124.05215	0.6
125.06016	2.2
125.09563	0.5
126.06268	0.4
131.08585	1.9
133.06516	0.7
133.10139	1.0
134.03615	7.5
134.05975	0.7
135.04417	11.4
135.08022	3.3
135.11664	2.3
136.07571	0.9
137.06007	0.9
137.09602	1.2
139.07549	0.8
145.02844	100.0
146.03197	2.3
149.05981	25.7
149.06987	0.9
149.09612	5.6
150.09140	1.3
151.07532	1.2
152.07086	9.4
153.05527	3.1
153.09082	1.1
159.11694	0.9
162.03117	1.6
163.03911	10.9
165.07018	0.6
177.05466	93.6
177.08943	1.9
177.12723	1.5
178.05768	1.8
178.08633	1.2
186.05550	0.9
195.06531	4.3
195.08049	1.4
195.10129	2.2
195.11699	1.2
195.13744	1.7
196.09734	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	195.0653
Annotation	trans-4-Hydroxy-3-methoxycinnamate
Peak:m/z	Relative Intensity
53.03933	1.6
55.05508	1.0
59.46226	0.6
63.02374	1.0
65.03930	1.4
67.05486	1.1
69.68466	1.3
69.68851	1.4
73.27981	0.7
74.21027	0.5
77.03932	0.8
78.04709	1.2
79.05499	2.8
81.07082	0.7
83.01400	0.6
83.04984	0.8
84.04503	1.6
85.34535	0.6
89.03916	29.6
91.05481	3.5
93.03399	1.6
93.07040	2.6
94.36066	0.6
95.04969	2.3
95.08621	0.8
103.05489	1.0
104.04997	2.8
105.04522	0.9
105.07010	0.9
106.04175	2.7
107.04975	1.5
107.08598	1.7
109.10233	0.8
111.04484	1.7
117.03380	53.7
118.03747	1.1
119.04920	0.6
119.08551	1.1
121.06493	2.1
121.10150	1.1
125.06003	2.0
131.08554	1.0
134.03653	8.4
135.04424	7.3
135.08057	1.6
135.11665	0.9
137.05972	0.8
139.07590	1.1
145.02846	99.2
146.03215	1.9
149.05991	25.4
149.09605	2.5
153.05463	3.7
155.58914	0.6
160.03957	1.6
162.03137	2.0
163.03914	10.3
167.08604	0.6
177.05470	100.0
178.04956	37.3
186.05573	1.0
193.40097	0.8
195.10201	1.1
195.13632	0.7
196.06035	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	trans-4-Hydroxy-3-methoxycinnamate
Peak:m/z	Relative Intensity
53.03947	3.0
55.01864	1.3
55.05511	1.8
56.05032	0.7
57.03448	1.0
63.02374	0.7
65.03929	1.5
67.05516	2.7
68.17678	0.5
69.03421	2.1
69.07065	1.1
69.59023	2.8
71.04987	1.3
77.03939	1.1
78.04717	1.9
79.05499	5.4
80.05003	2.5
81.03410	2.5
81.07038	3.0
83.04987	1.7
84.04491	2.0
84.08134	0.6
85.02914	1.9
85.06545	1.5
87.97148	0.6
89.03918	31.6
91.05476	8.1
93.03417	1.3
93.07043	7.5
94.06593	0.8
95.04961	4.9
95.08605	1.8
96.04496	0.6
97.02882	1.4
97.06538	1.6
99.04423	0.6
103.05457	2.6
104.04990	6.2
105.04494	1.3
105.07025	2.9
106.04176	1.7
106.06530	0.8
107.04953	1.6
107.08604	4.6
109.06524	2.4
109.10158	1.1
110.00228	0.5
111.04420	2.8
111.08121	1.1
117.03377	53.0
117.07030	1.1
118.03727	1.4
119.04958	1.2
119.08562	1.2
121.06492	4.4
121.10104	2.9
122.06023	0.8
123.08060	0.9
125.05968	3.2
125.09695	1.1
131.08571	1.6
134.03635	9.9
134.05916	0.6
135.04422	7.6
135.08070	3.4
135.11656	2.8
137.09612	1.3
145.02841	94.6
146.03175	2.3
149.05981	26.7
149.06963	1.0
149.09625	4.3
150.05429	0.7
153.05463	5.1
153.09149	0.9
160.03958	2.2
162.03087	2.6
163.03902	10.0
167.07251	1.3
167.08780	0.9
168.08105	1.0
177.05466	100.0
177.09036	3.2
177.12727	1.6
178.04968	78.8
186.05545	1.6
195.06427	1.5
195.09015	1.2
195.10298	1.3
195.11745	1.0
195.13817	1.5
196.06079	6.9
196.09647	0.6
202.14578	0.5
204.80260	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.01868	1.3
55.05503	2.9
57.07070	1.9
59.05001	0.4
67.05498	3.3
68.99787	59.7
69.03440	2.2
69.07073	3.3
70.00109	0.6
70.06580	0.4
70.65061	0.7
71.04993	1.4
72.04528	0.4
73.06559	0.4
79.05486	3.7
80.05022	3.0
81.03418	0.7
81.05355	0.6
81.07051	4.0
83.04988	4.4
83.08629	2.2
84.04512	1.0
85.02897	0.6
85.06548	0.7
85.10178	21.4
88.84873	0.3
91.05467	2.7
93.05774	0.5
93.07030	3.8
94.06565	0.8
95.04946	0.9
95.08607	2.0
97.06525	2.6
97.10189	0.6
105.07016	1.4
106.06538	0.6
107.08585	13.1
108.04429	0.4
108.08969	0.4
109.06494	1.3
109.10170	2.1
110.06049	0.7
111.04427	3.0
111.08094	1.9
115.05477	0.3
117.06995	0.4
121.06498	1.4
121.10120	1.7
122.06057	0.5
125.05997	0.7
125.09623	33.0
126.09956	0.6
131.08530	1.1
133.06445	0.4
133.10139	0.6
135.08029	3.7
135.11707	3.0
137.05986	1.8
138.05489	1.6
139.05893	2.5
143.07631	0.5
149.09628	3.0
149.13249	0.6
150.05507	0.9
152.06184	1.0
153.09096	100.0
154.09427	2.8
155.07043	0.5
159.08000	0.7
159.11676	0.7
165.06985	1.1
167.08565	2.5
167.12527	0.5
177.09088	1.3
177.12688	1.2
180.09279	0.7
195.08063	2.8
195.10138	16.4
195.11909	1.7
195.13857	1.0
195.15442	0.3
196.06004	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03942	5.9
55.01868	5.3
55.05510	15.7
57.03433	3.3
57.07081	2.3
57.98254	1.4
65.03932	3.9
67.05505	58.3
69.03436	2.1
69.07054	14.1
69.17636	4.0
69.18059	8.8
71.04991	5.5
75.19357	1.5
79.05492	39.2
80.05009	2.4
81.03408	22.9
81.07056	100.0
83.04983	17.5
83.08620	8.0
85.02903	1.6
85.06549	4.0
87.04469	1.7
91.05482	28.6
93.07043	63.0
95.04967	7.5
95.08606	40.8
97.06534	11.5
99.04462	1.6
105.07029	12.4
107.04943	2.7
107.08592	27.5
109.06511	2.1
109.10169	4.7
111.08075	5.0
113.09682	1.8
117.07051	8.9
119.08573	2.7
121.06510	10.3
121.10143	9.2
123.08051	2.6
130.96413	1.5
131.08566	13.1
133.10133	17.1
135.08051	6.2
135.11691	40.5
139.05780	1.8
147.11784	1.5
148.97313	1.6
149.09573	3.1
149.13258	15.1
149.19949	1.5
149.97226	3.2
152.06227	3.0
159.11700	17.7
165.06996	7.0
167.08549	3.7
168.51100	1.7
177.06927	1.7
177.12741	11.6
180.09363	2.6
195.08041	11.4
195.11781	6.2
195.13824	16.8
195.15573	2.2
196.16890	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.71696	1.0
53.03942	3.6
55.01868	3.2
55.05514	13.8
57.03431	2.4
57.07066	1.4
59.65274	0.9
64.67422	1.1
65.03934	1.4
67.05507	50.3
69.03431	2.4
69.07071	10.6
71.04985	5.5
71.63151	1.0
79.05493	34.3
80.04998	2.0
81.03422	8.7
81.07056	100.0
82.07388	2.5
83.04984	11.0
83.08628	7.2
84.04488	1.0
85.06537	3.9
86.80299	1.1
87.23957	1.0
89.06032	1.6
91.05485	23.5
93.07042	53.8
95.04970	7.6
95.08608	40.8
97.06527	7.1
97.10169	1.2
98.22655	2.7
99.04480	1.1
99.08090	1.4
101.05983	1.3
105.07034	10.7
107.04963	2.2
107.08596	22.2
109.06533	2.2
109.10155	2.9
111.08074	4.8
112.99595	1.1
117.07052	6.7
119.08578	3.2
121.06519	6.3
121.10146	7.9
125.09666	1.3
130.96353	1.5
131.08556	9.6
132.24702	1.1
133.10127	15.9
135.08043	4.0
135.10660	2.2
135.11691	36.1
136.12099	1.2
139.07526	1.7
147.11729	1.2
149.09657	2.3
149.13242	14.4
150.05441	1.2
151.11137	1.4
159.11699	14.9
165.06993	2.3
167.08580	2.5
172.98796	1.8
177.12758	13.1
180.09338	2.2
195.08011	6.6
195.09978	1.5
195.11758	4.2
195.13808	13.8
195.15536	1.9
196.06085	1.6
196.16975	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03936	2.2
53.24533	0.8
54.20275	0.8
55.01859	2.2
55.05511	15.3
55.62090	0.9
57.07069	3.3
59.04989	3.0
61.14553	1.0
67.05507	9.1
68.99780	2.1
69.07063	7.4
71.04971	1.4
72.04504	1.3
79.05490	13.5
80.05005	1.6
81.07054	63.0
83.04979	6.8
84.04487	1.1
85.06546	1.2
91.05482	9.3
93.07040	45.0
94.07370	1.5
95.04944	1.7
95.08600	24.3
97.06517	3.2
101.06040	6.2
105.07037	6.9
107.08593	48.6
108.08918	0.9
109.10165	3.3
117.07019	2.1
119.08586	5.0
121.06490	3.4
121.10148	11.5
123.27776	0.9
125.09631	1.0
131.08548	2.0
133.10121	13.3
135.08098	6.0
135.11688	100.0
136.12006	2.1
139.07492	2.3
144.09308	1.3
149.09579	1.1
149.13284	8.9
152.06152	2.2
153.09099	3.4
159.11688	10.3
165.06973	1.7
166.07875	1.0
167.07277	1.9
167.08559	5.4
168.08009	2.1
177.12740	21.5
177.14197	1.9
195.08000	7.3
195.11894	2.2
195.13803	11.6
196.07626	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	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
52.50997	0.4
53.03941	1.7
55.01872	1.1
55.05510	4.3
57.07071	3.1
58.66048	0.5
59.04998	0.6
64.97970	0.5
65.97604	0.5
66.81134	0.5
67.05505	4.7
68.99784	3.7
69.03426	1.3
69.07067	5.8
71.04994	1.2
71.08633	0.7
73.06540	0.6
77.03905	0.6
79.05070	1.0
79.05494	12.6
80.05006	2.4
81.07054	15.1
81.07530	0.9
83.04978	3.7
83.08636	0.6
84.04484	1.1
85.02893	0.6
85.06542	0.9
85.10172	1.9
85.57110	0.5
91.05481	9.7
93.07041	53.2
94.06533	0.6
94.07357	1.3
94.80964	0.5
95.04960	2.3
95.08603	12.7
97.06529	8.0
100.28546	0.5
105.07032	4.9
106.04169	0.5
106.06544	0.8
107.04954	1.2
107.08592	66.6
108.08933	1.6
109.06527	1.1
109.10149	1.6
111.08067	2.6
117.06973	0.8
118.28805	0.4
119.05978	0.6
119.08579	3.6
120.09341	0.5
121.06512	4.5
121.10138	10.2
122.06052	0.5
122.43597	0.5
125.06009	2.4
125.09643	3.3
131.08575	1.1
133.10123	5.9
135.08061	1.7
135.11688	100.0
136.12029	3.4
137.09587	0.9
139.05795	0.6
139.07527	12.0
149.13261	10.0
150.05424	0.9
152.06178	1.0
153.09100	9.4
153.12741	1.0
159.11702	2.2
165.07016	2.2
167.08598	2.1
169.58797	0.4
171.98935	0.5
177.09085	0.7
177.12747	10.4
180.09314	2.5
195.06534	0.7
195.07999	3.2
195.10114	1.7
195.11757	2.9
195.13792	7.7
195.15414	0.8
196.06065	1.5
196.11919	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03942	6.7
55.01877	4.7
55.05516	27.4
57.03442	8.9
57.07067	2.3
65.03942	4.0
67.05505	77.6
69.03439	3.6
69.07068	19.5
69.61175	6.7
71.05004	7.4
79.05498	60.8
80.05867	1.5
81.03418	31.2
81.07059	100.0
82.07345	1.8
83.04988	34.2
83.08623	11.5
85.06560	4.2
91.05483	46.7
92.07690	1.4
93.07047	87.3
94.07357	2.4
95.04964	14.0
95.08608	47.6
96.08963	1.5
97.06539	20.4
98.22587	1.5
99.08105	1.5
101.12759	1.3
103.05428	1.8
105.04510	1.9
105.07036	16.7
107.04974	4.9
107.08600	34.2
107.09295	2.3
109.06512	7.0
109.10170	5.8
111.08093	7.7
112.96661	1.2
113.09684	1.7
117.07018	17.5
119.08615	5.4
121.06518	13.3
121.10142	11.2
123.08086	1.6
123.11736	1.7
126.90458	1.4
131.08574	22.5
133.10123	23.9
135.08075	5.8
135.11697	38.1
135.12686	2.5
149.09676	1.8
149.13263	15.7
149.97243	1.7
151.11238	2.1
159.11691	22.7
165.07057	2.5
177.12775	14.3
178.02864	1.2
195.08023	1.4
195.11801	4.1
195.13818	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	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03944	7.5
55.01871	5.0
55.05507	23.3
55.50892	1.6
57.03429	7.6
57.07060	2.0
65.03932	3.4
67.05505	70.1
69.03436	2.6
69.07062	21.4
71.04980	8.1
71.29832	2.1
73.02920	1.9
79.05492	52.1
81.03419	36.3
81.03772	0.8
81.07056	100.0
83.04985	25.2
83.08613	9.9
85.06551	4.8
89.06040	2.3
91.05479	35.9
93.07043	71.4
94.07368	2.0
95.04976	9.4
95.08607	38.4
97.06525	18.3
99.08102	2.2
103.05515	2.1
105.04507	2.6
105.07030	13.0
107.04966	4.8
107.08591	31.6
109.06517	4.5
109.10160	3.7
111.08072	8.1
113.09655	1.6
117.07024	16.7
119.08523	3.3
121.06501	12.3
121.10140	13.8
122.94713	1.7
123.08083	2.1
123.11765	1.9
125.09679	2.0
128.28577	1.3
129.06970	1.5
131.08562	15.1
133.10123	22.1
134.13522	1.4
135.08064	6.0
135.11693	31.3
137.09628	2.3
148.97404	2.0
149.09601	2.8
149.13268	23.9
149.97229	2.7
151.11195	4.3
153.09073	1.9
159.11723	18.8
165.06979	7.5
166.07910	1.4
167.08577	2.6
171.98973	1.5
177.12752	15.0
179.08481	1.8
180.09332	4.8
195.08005	2.9
195.10170	2.4
195.11734	10.7
195.13820	25.3
195.15738	4.6
196.16879	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03948	9.4
55.01869	5.2
55.05508	21.4
57.03445	6.3
65.03926	4.1
67.05505	84.6
69.03430	4.0
69.07068	18.3
69.14977	6.1
69.15378	2.9
70.89793	1.1
71.04987	7.3
77.03933	1.5
79.05493	70.9
80.05830	1.3
81.03424	15.5
81.07058	100.0
82.07398	1.4
83.04981	41.1
83.08605	7.1
85.06554	3.2
86.09666	1.2
87.89307	1.0
91.04913	1.4
91.05482	41.6
93.07043	81.0
94.07346	2.0
95.04971	14.1
95.08605	51.7
95.56660	1.2
96.08934	1.4
97.06532	23.6
99.08086	2.1
105.07021	16.4
107.04966	5.0
107.08595	31.0
108.08951	1.5
109.06526	8.7
109.10160	4.5
111.08096	6.7
115.05459	2.0
117.07020	20.5
119.08573	4.9
121.06505	8.2
121.10149	10.7
123.08073	3.7
129.07047	1.7
131.08575	19.2
133.10114	14.6
135.08043	5.7
135.11696	35.0
147.11708	2.1
148.37274	1.3
149.09662	2.7
149.13269	18.1
149.97279	1.6
151.11234	1.7
159.11699	23.5
165.07007	5.7
168.63814	1.4
172.31807	1.2
173.74648	1.1
177.12726	13.1
180.09366	3.8
181.59236	1.3
195.08047	1.5
195.11739	6.5
195.13829	24.6
195.15640	2.5
196.14117	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.02364	0.5
53.03942	1.5
53.94656	0.7
55.01878	3.0
55.05512	15.6
55.16129	0.5
56.67334	0.6
57.07070	2.7
59.04998	2.5
67.05508	7.4
68.99818	0.5
69.07078	5.6
71.04994	1.6
72.04540	0.6
73.02907	0.8
73.06549	0.8
79.05492	13.0
80.05019	1.0
81.07059	55.2
82.07385	0.7
82.30910	0.6
83.05006	4.4
91.05473	8.3
91.42412	0.6
93.07047	41.1
94.07370	0.8
95.04976	1.3
95.08611	25.2
97.06539	3.6
99.04491	0.8
101.06018	5.0
105.07026	5.3
107.08595	41.9
108.08890	0.7
109.06512	1.8
109.10155	2.8
111.08086	0.9
115.07561	0.7
117.07032	2.1
119.08575	3.8
121.06509	2.6
121.10159	9.9
123.08069	0.9
123.11694	1.1
129.06975	0.8
131.08575	2.6
133.10132	12.1
135.08083	3.4
135.11697	100.0
136.12057	2.5
139.07536	1.7
144.09268	0.8
149.09610	1.4
149.13274	10.5
150.05562	0.9
152.06219	1.1
153.09097	2.6
159.11691	9.7
165.07042	0.9
167.08575	0.9
177.12756	22.5
178.13065	0.9
195.08086	1.9
195.12001	1.1
195.13792	13.0
196.07668	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0605
Annotation	6-Hydroxy-3-succinoylpyridine
Peak:m/z	Relative Intensity
51.02368	0.3
53.03725	0.2
53.03949	1.8
55.01854	0.1
55.05494	0.1
57.03442	0.1
57.23807	0.2
68.05023	0.1
69.07053	0.1
69.62435	0.4
75.67355	0.1
77.03916	1.5
79.05489	0.3
79.65990	0.1
80.04990	0.3
81.03405	0.2
81.07039	0.4
84.04480	0.3
85.02901	0.5
87.04405	0.2
89.03864	0.1
94.06549	0.2
95.04961	2.1
96.04478	0.5
96.05259	0.1
97.06506	0.2
98.23335	0.2
104.04990	8.6
105.03371	0.2
105.04518	0.9
106.06481	0.2
109.30865	0.1
118.03683	0.5
122.06018	0.3
132.04465	0.8
132.95885	0.2
134.05983	0.2
146.03140	1.0
150.05406	0.2
150.06432	0.2
150.96878	0.3
155.97356	0.2
160.03912	4.4
164.04089	0.1
173.98495	0.2
178.04980	100.0
179.05344	3.1
180.05400	0.3
196.06044	8.7
196.13278	0.1
196.16986	0.2
197.06091	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0604
Annotation	6-Hydroxy-3-succinoylpyridine
Peak:m/z	Relative Intensity
51.02382	0.4
53.03945	3.2
55.05495	0.3
63.02357	0.2
65.03931	0.2
67.05498	0.4
69.03414	0.4
71.04981	0.3
71.10353	0.4
77.03919	2.0
78.03465	0.3
79.11109	0.2
80.05016	1.2
81.03403	0.3
81.07044	0.5
83.04987	0.4
84.04507	1.3
85.02898	0.8
91.05475	0.3
93.07044	0.3
94.06542	0.5
94.41732	0.2
95.04958	3.7
96.04483	0.8
97.59412	0.2
104.04984	10.8
105.03390	0.5
105.04491	1.2
105.05177	0.3
105.07001	0.3
106.06554	0.5
107.08554	0.4
108.04453	0.4
109.10118	0.4
113.06019	0.3
120.04449	0.3
121.10154	0.2
122.06021	0.7
132.04478	1.0
132.95830	0.4
133.10100	0.3
134.06053	0.3
140.07158	0.2
141.06952	0.4
145.61372	0.2
150.05498	1.4
150.96887	0.4
152.07095	0.5
160.03912	3.3
160.05099	0.4
167.07288	2.4
168.06764	0.3
168.08067	1.6
173.98465	0.3
178.04982	100.0
179.05333	3.4
179.10539	0.2
196.06015	3.2
196.07613	2.7
196.09454	0.4
196.17021	0.4
197.05984	0.6
197.11650	0.2
197.13252	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	(+)-Loliolide
Peak:m/z	Relative Intensity
52.90582	1.2
53.03941	2.4
55.05515	10.4
57.07082	3.5
59.05001	5.5
63.70981	1.6
66.51971	1.3
67.05509	15.4
69.03429	37.1
69.03776	2.9
69.07072	10.4
70.95872	1.8
71.04604	3.5
71.04994	61.9
71.09476	1.7
76.80832	1.6
79.05493	5.1
81.07056	17.1
83.04982	44.7
83.05467	2.8
83.08636	3.2
85.02915	3.0
85.06557	3.4
86.03278	1.5
91.05491	4.4
93.07046	6.4
95.04966	19.8
95.08631	6.5
97.06523	9.6
99.04469	3.1
105.07026	6.3
106.08823	1.5
107.04995	1.7
107.08593	15.5
109.06525	22.9
109.10154	39.9
111.08089	5.6
111.98439	2.2
113.06009	100.0
115.05476	2.8
119.08575	7.3
121.06482	2.0
122.07364	2.2
123.04445	1.7
123.11710	5.8
124.07613	5.9
125.05995	2.5
127.03929	3.0
127.07552	3.9
132.95865	3.4
133.10120	18.9
133.10918	1.6
135.11705	3.6
137.05983	5.6
137.09621	65.3
141.05473	13.1
141.06990	8.5
150.96902	3.9
151.11200	13.5
152.07094	3.8
155.07025	3.4
155.08612	1.5
161.09631	6.0
169.06538	4.0
169.10176	2.5
173.98500	3.5
179.10654	22.6
182.10930	2.5
197.05966	20.9
197.09796	3.1
197.11717	44.8
197.13283	4.5
198.18530	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	(+)-Loliolide
Peak:m/z	Relative Intensity
52.72107	1.1
53.03951	1.4
55.01870	1.9
55.05513	12.0
57.03427	1.8
57.07075	5.1
57.52105	1.1
59.04997	3.4
59.16261	1.1
65.03927	2.1
67.05510	16.0
69.03432	26.4
69.07069	9.8
69.42666	1.0
69.81026	4.3
70.06606	1.5
70.95860	4.1
71.01347	2.0
71.04603	2.2
71.04996	40.1
71.08628	1.1
71.20319	1.2
72.93792	2.3
77.96949	1.0
79.05486	8.6
81.03431	1.4
81.07056	17.6
83.04979	29.4
83.08611	4.5
85.02905	1.6
85.06550	4.8
86.06106	1.1
87.04483	1.7
89.33116	1.1
91.05482	100.0
93.07043	10.7
95.04963	18.0
95.08604	10.0
96.04518	1.1
96.08069	1.7
97.02915	1.3
97.06528	7.7
97.10175	1.3
98.23302	1.2
99.04453	2.7
105.07037	14.0
106.06561	3.5
107.08595	27.5
109.06524	16.2
109.10152	32.7
111.04444	1.1
111.08090	4.1
111.98471	2.9
112.04001	1.2
113.06004	66.9
114.06381	2.6
115.05461	4.7
119.08598	8.4
121.06536	1.9
121.10182	3.1
122.07317	1.2
123.04439	3.0
123.08106	3.3
123.11720	6.8
124.07604	4.2
125.06032	3.0
125.09610	1.9
127.03978	1.2
127.07573	2.3
131.08553	1.2
132.95847	7.1
133.10132	26.7
135.08073	1.5
135.11671	13.5
137.05995	3.9
137.09618	52.7
141.05476	9.8
141.06992	12.2
150.96870	7.6
151.11174	11.6
152.07079	3.9
154.07776	1.5
154.90848	1.3
155.07149	1.7
155.08575	3.9
155.10689	2.1
155.97397	2.6
156.18692	1.1
161.09621	12.1
161.13235	1.3
167.08578	2.4
169.06485	8.8
169.10164	3.4
173.98483	6.2
179.05302	2.1
179.09045	2.3
179.10669	43.6
179.14302	1.9
180.10970	1.1
181.10161	2.7
182.07280	1.5
182.10864	2.7
197.05951	26.0
197.09689	5.8
197.11745	44.1
197.13324	7.4
197.15230	1.6
198.06349	1.3
198.12685	3.3
198.18523	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	197.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.2
55.01870	1.7
55.05514	13.0
57.03424	0.8
57.07072	4.6
59.04980	0.9
67.05503	13.0
69.03436	1.9
69.07073	10.2
69.28103	3.7
69.28510	1.2
70.95876	3.0
71.01357	100.0
71.04995	5.9
71.08643	2.2
72.08144	0.8
72.93781	1.1
74.98192	0.6
79.05480	4.7
81.03430	0.9
81.07062	13.2
83.04982	3.0
83.08615	10.8
85.02958	1.0
85.06546	4.8
85.10181	10.2
90.05437	0.6
91.05483	11.1
93.07049	7.2
95.04987	3.3
95.08611	13.7
96.04507	1.2
96.08150	1.1
97.06533	5.8
97.10152	3.8
99.04457	1.2
100.07641	0.7
105.07047	4.1
107.08595	17.3
107.09288	1.2
109.06525	2.3
109.10159	27.1
111.08073	6.7
111.98495	2.2
113.06021	2.6
115.05463	1.4
119.08596	3.6
121.06556	1.0
121.10171	2.3
123.08095	1.6
123.11734	1.5
124.02206	1.8
124.07610	3.0
125.09634	9.8
127.11209	2.8
129.99532	0.8
132.95876	4.7
133.10117	6.4
134.06010	0.7
135.11719	2.6
137.06046	0.7
137.09647	2.6
137.13274	10.2
139.07524	3.8
141.07010	5.0
150.96901	5.9
151.11224	2.9
152.01637	1.1
152.07101	2.1
153.06979	0.8
153.09053	1.3
154.07834	1.9
155.08649	2.5
155.10666	66.3
155.97472	2.2
156.10986	1.3
161.09633	2.1
161.13255	3.1
167.08632	2.5
169.06531	2.4
169.10161	3.0
170.02766	1.4
173.98488	4.4
179.08554	4.0
179.10675	4.0
179.14378	2.6
180.06534	1.0
182.07278	1.2
182.10980	2.8
189.93625	0.6
197.05991	8.2
197.07767	1.1
197.09711	4.6
197.11787	18.1
197.13351	5.7
197.15359	1.4
198.02309	1.4
198.18536	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03952	1.7
55.01875	2.5
55.05510	8.7
57.03445	1.0
57.07080	2.8
59.05000	3.2
64.77360	0.7
65.03934	1.2
67.05499	8.0
69.03439	3.1
69.07062	4.5
69.31660	4.6
70.95877	3.1
71.05008	2.2
72.93778	1.4
78.31188	0.7
79.05485	9.1
79.05917	1.0
81.03402	1.3
81.07051	14.2
82.06594	1.0
83.04989	2.6
83.08619	2.7
85.02904	1.5
85.06554	2.6
86.06055	1.4
91.05479	21.9
93.07035	24.6
95.04967	10.3
95.08598	5.9
96.08126	1.4
97.06541	3.2
97.10178	1.8
99.04491	1.2
105.06303	0.8
105.07027	32.9
107.08591	70.8
108.08923	2.1
109.02893	1.1
109.06506	9.3
109.10145	9.6
111.98512	2.1
113.06021	1.4
115.05467	1.9
117.07053	1.9
118.07854	1.2
119.04950	2.8
119.06026	1.8
119.08572	9.5
121.06506	6.3
121.10146	2.0
123.04436	5.2
123.08083	2.1
123.11713	3.9
124.07605	2.2
125.05974	7.8
125.09653	1.4
127.03906	3.4
128.06200	0.9
129.99576	1.2
131.08571	3.5
131.65184	0.8
132.95854	3.5
133.10126	77.1
134.06039	1.0
134.10475	1.3
135.08064	2.4
135.11682	51.8
136.12003	1.7
137.05977	11.0
137.09599	6.8
141.06961	3.6
143.08569	2.3
146.07262	2.1
146.63013	0.7
150.96892	3.4
151.07556	1.6
151.11174	12.3
152.07076	2.6
153.06891	0.9
155.97414	2.2
161.09615	32.6
162.09991	1.0
169.06464	1.2
169.10146	0.8
170.09662	1.0
173.98494	3.4
179.05368	1.8
179.10663	100.0
180.11015	3.3
197.05956	7.6
197.11720	61.3
198.12164	1.1
198.18523	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	(+)-Loliolide
Peak:m/z	Relative Intensity
53.03933	2.8
55.01864	7.2
55.05510	24.6
57.03419	2.0
57.07073	2.5
67.05499	4.9
68.05020	0.8
69.03425	8.0
69.06727	0.7
69.07043	3.8
70.47002	0.7
70.47318	0.9
70.95852	2.8
71.04982	9.7
71.08621	1.1
72.93771	1.0
78.41933	0.7
79.05482	6.7
81.07050	21.7
83.04980	3.4
83.08610	2.5
84.04506	1.6
85.02884	1.6
85.06545	1.3
86.06042	0.9
87.04409	0.9
91.05482	5.7
91.34765	0.6
93.07031	4.5
93.38132	0.6
95.04974	5.7
95.08606	5.1
96.04514	1.8
96.08113	1.3
97.06522	10.9
97.10143	0.8
99.04446	11.5
105.03428	0.8
105.07030	7.9
106.06543	0.8
107.04945	4.1
107.08570	6.2
109.05303	0.8
109.06516	13.1
109.10147	5.5
110.06042	0.7
111.04440	1.6
111.08067	1.8
111.98515	1.5
113.05996	9.0
115.05463	2.0
117.07050	0.8
119.08584	2.3
121.10126	1.1
123.04401	1.6
123.08084	1.7
123.11680	2.1
124.07549	4.5
125.05984	100.0
126.06316	2.3
127.03909	32.1
128.04262	0.8
128.06233	1.3
129.99489	0.8
131.84425	0.7
132.95847	3.2
133.10126	12.2
134.06020	1.7
135.11697	2.9
137.05968	77.3
137.09586	7.5
138.06294	1.2
141.05472	1.4
141.06998	4.4
143.07475	0.8
143.08525	4.1
145.04959	1.5
150.96884	5.7
151.07510	1.1
151.11172	5.8
152.07060	10.5
152.10684	1.9
155.08467	0.7
155.97388	2.9
161.09593	15.2
161.13197	0.9
166.79585	0.6
169.06499	2.4
173.98495	3.6
179.05330	0.8
179.06975	0.7
179.10651	21.8
179.14116	0.8
180.06551	1.5
182.10890	0.9
196.91881	0.7
197.05963	9.0
197.09874	1.2
197.11697	11.8
197.13303	1.7
197.15434	0.7
198.18515	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0761
Annotation	DL-DOPA
Peak:m/z	Relative Intensity
53.03941	0.9
55.01874	1.1
55.05513	6.1
56.05038	2.9
56.96568	1.2
57.03443	1.1
57.07068	2.9
57.52184	0.4
60.08161	3.8
67.05515	2.4
68.05029	6.2
69.03429	17.3
69.07067	5.2
70.06585	1.9
71.08629	1.1
71.28252	0.8
72.04520	0.8
72.08169	0.8
74.09722	0.4
77.35484	0.4
79.05489	5.0
80.05021	1.8
81.03393	0.8
81.05790	1.2
81.07056	5.4
82.06558	1.1
83.04980	0.8
83.08616	3.7
84.04505	7.0
85.02895	2.9
85.06536	2.2
86.06065	13.0
87.04466	6.1
87.06380	0.5
91.05466	0.6
93.07048	0.8
94.06580	1.7
95.04992	0.5
95.06092	14.1
95.08595	1.0
96.04496	12.9
96.08131	29.4
97.02897	1.2
97.06502	0.7
97.10144	2.0
98.06052	1.5
98.97574	2.8
100.07609	1.0
106.06535	3.6
107.08617	0.6
108.65280	0.5
109.06536	0.7
109.78124	0.5
110.06052	1.4
111.04438	0.9
111.08092	0.7
112.03950	0.8
116.98640	1.2
121.05074	1.3
122.06034	0.6
124.03999	3.1
124.07590	100.0
125.07955	2.9
126.09158	0.5
127.03892	0.8
131.01929	0.8
132.02040	0.7
133.03529	0.4
134.06004	1.6
134.99652	0.8
135.08005	0.5
136.07574	0.5
152.07066	45.7
153.07404	1.2
154.13393	3.6
156.15009	0.4
156.80138	0.4
156.86855	0.4
161.04655	1.2
180.03424	1.0
180.06541	5.5
182.08101	0.5
198.04419	0.5
198.07559	1.6
198.18529	83.0
199.18871	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
53.68248	0.3
55.01861	1.1
55.05512	6.9
56.05026	1.6
57.07077	4.5
58.06598	0.4
62.15552	0.4
65.03934	1.0
67.05502	2.7
67.33016	0.3
68.05035	2.3
68.48309	0.4
69.03431	7.9
69.07073	6.0
69.52601	0.4
70.06583	0.3
71.05021	0.4
71.08635	9.5
72.04505	0.5
72.08161	0.9
74.09708	0.7
79.05497	4.6
80.05025	1.1
81.05793	0.4
81.07050	3.9
82.06583	2.1
82.07364	0.6
83.04970	2.1
83.08620	4.7
84.04517	2.7
84.08138	1.0
85.02910	0.9
85.06554	2.2
86.06068	6.8
87.04475	4.3
88.11282	2.6
91.05482	44.0
92.05791	1.2
93.07027	1.9
94.06541	1.1
94.07364	0.6
95.04984	0.9
95.08602	1.7
96.04504	5.7
96.05141	0.6
96.08131	13.3
97.06517	0.6
97.10186	2.8
98.06033	0.7
98.97585	0.4
100.07613	2.6
105.07050	1.1
106.06557	2.8
106.07339	0.9
107.08574	1.9
108.08248	0.5
108.08919	2.0
110.06020	1.1
110.09669	0.4
111.04439	1.4
111.08077	0.8
112.03999	0.4
112.07607	3.6
113.02400	0.4
114.09179	1.1
115.05431	0.5
116.97232	0.6
121.10126	0.6
124.02159	1.5
124.03990	1.8
124.07593	45.3
125.07906	1.1
134.06042	0.5
134.10454	2.6
135.11742	0.5
136.12059	2.2
137.30246	0.3
143.08537	0.6
143.43726	0.3
152.01553	0.4
152.07072	23.7
152.10579	1.9
152.14349	1.6
153.07236	0.4
156.13884	0.5
157.10097	0.4
162.09972	1.2
170.02725	0.9
170.15410	23.2
171.15811	0.8
175.98523	0.7
180.06577	5.9
180.10123	1.6
180.11023	2.5
180.13702	0.5
181.10159	1.5
198.02203	1.3
198.06432	1.0
198.12422	1.9
198.14902	2.4
198.18529	100.0
199.03812	0.5
199.07599	0.4
199.14912	0.8
199.18959	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	198.0762
Annotation	DL-DOPA
Peak:m/z	Relative Intensity
53.03954	0.6
53.62136	0.4
55.01858	0.9
55.05518	2.1
56.05034	1.9
57.03424	0.5
57.07079	0.8
57.36342	0.4
66.90107	0.4
67.01863	0.7
67.05502	2.1
68.05029	5.5
69.03430	12.8
69.07067	1.6
71.08637	0.4
71.35190	0.6
79.05491	3.9
80.05003	1.2
81.05793	0.7
81.07056	5.7
82.06554	0.8
83.08644	0.9
84.04509	6.9
85.02886	0.9
86.05654	0.3
86.06066	12.0
87.04464	6.0
94.06573	2.2
96.04489	13.1
96.08130	28.1
97.10160	0.8
98.06058	2.2
106.06533	2.8
110.06113	0.5
112.03944	0.9
118.19333	0.6
124.03987	3.6
124.07590	100.0
125.07912	2.4
130.05190	0.4
134.06032	0.8
152.07066	44.9
153.07396	1.9
180.06557	6.2
198.07582	0.8
198.18529	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	198.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
53.68248	0.3
55.01861	1.1
55.05512	6.9
56.05026	1.6
57.07077	4.5
58.06598	0.4
62.15552	0.4
65.03934	1.0
67.05502	2.7
67.33016	0.3
68.05035	2.3
68.48309	0.4
69.03431	7.9
69.07073	6.0
69.52601	0.4
70.06583	0.3
71.05021	0.4
71.08635	9.5
72.04505	0.5
72.08161	0.9
74.09708	0.7
79.05497	4.6
80.05025	1.1
81.05793	0.4
81.07050	3.9
82.06583	2.1
82.07364	0.6
83.04970	2.1
83.08620	4.7
84.04517	2.7
84.08138	1.0
85.02910	0.9
85.06554	2.2
86.06068	6.8
87.04475	4.3
88.11282	2.6
91.05482	44.0
92.05791	1.2
93.07027	1.9
94.06541	1.1
94.07364	0.6
95.04984	0.9
95.08602	1.7
96.04504	5.7
96.05141	0.6
96.08131	13.3
97.06517	0.6
97.10186	2.8
98.06033	0.7
98.97585	0.4
100.07613	2.6
105.07050	1.1
106.06557	2.8
106.07339	0.9
107.08574	1.9
108.08248	0.5
108.08919	2.0
110.06020	1.1
110.09669	0.4
111.04439	1.4
111.08077	0.8
112.03999	0.4
112.07607	3.6
113.02400	0.4
114.09179	1.1
115.05431	0.5
116.97232	0.6
121.10126	0.6
124.02159	1.5
124.03990	1.8
124.07593	45.3
125.07906	1.1
134.06042	0.5
134.10454	2.6
135.11742	0.5
136.12059	2.2
137.30246	0.3
143.08537	0.6
143.43726	0.3
152.01553	0.4
152.07072	23.7
152.10579	1.9
152.14349	1.6
153.07236	0.4
156.13884	0.5
157.10097	0.4
162.09972	1.2
170.02725	0.9
170.15410	23.2
171.15811	0.8
175.98523	0.7
180.06577	5.9
180.10123	1.6
180.11023	2.5
180.13702	0.5
181.10159	1.5
198.02203	1.3
198.06432	1.0
198.12422	1.9
198.14902	2.4
198.18529	100.0
199.03812	0.5
199.07599	0.4
199.14912	0.8
199.18959	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	198.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07576	0.4
53.50233	0.4
55.01865	1.9
55.05511	5.8
56.96576	0.7
57.03423	1.4
57.07073	3.9
60.08167	8.1
61.02932	0.9
63.15549	0.5
65.44798	0.5
67.05498	1.2
68.05034	2.7
69.03446	2.3
69.07069	5.9
70.06583	2.0
70.11057	1.2
71.05010	0.6
71.08620	1.5
72.04507	0.7
72.08144	1.3
79.05487	1.7
81.03423	0.9
81.07052	1.4
82.06557	0.6
83.04977	0.4
83.08625	5.8
84.04514	0.7
85.02908	4.9
86.06051	1.4
87.04472	0.6
91.05463	0.6
93.07061	1.6
95.06094	34.2
95.08590	1.3
96.04503	0.6
96.06400	0.6
96.08129	1.3
97.02901	2.0
97.06552	0.9
97.10159	2.1
98.23340	0.6
98.97579	0.7
100.07627	1.0
101.00884	0.6
106.06561	0.6
107.08612	1.2
109.02895	0.9
110.07172	0.9
110.09666	0.6
111.04436	0.6
114.09160	0.5
121.10157	0.8
124.07604	3.0
127.03914	1.1
134.05997	1.0
145.04945	1.3
152.07060	3.9
154.05135	0.6
154.13391	7.1
174.98610	0.7
178.58397	0.6
180.06555	1.1
198.05252	0.6
198.07623	1.3
198.12369	1.6
198.18532	100.0
199.18903	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	199.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
55.01875	24.3
55.05513	59.3
56.05838	2.4
57.03428	3.9
57.07061	4.0
59.04999	7.1
59.76477	1.0
65.03934	1.5
67.05502	33.9
69.03428	15.4
69.07069	27.6
70.03773	1.3
70.06583	1.9
70.07397	2.4
71.04971	4.4
71.29709	1.6
72.04496	1.2
74.09723	11.3
79.05495	15.8
81.03427	2.2
81.07055	30.2
83.04977	17.7
83.08611	6.6
84.05334	1.1
84.08955	1.8
85.02897	3.8
85.06543	32.3
86.06049	1.3
91.05466	8.0
93.07046	28.8
94.06599	1.1
94.07365	1.2
95.04981	2.0
95.08601	10.5
96.04502	1.1
97.06532	26.1
97.37257	1.1
98.06062	1.9
98.97563	6.2
99.04444	4.7
99.08092	3.4
100.07613	4.2
101.05375	2.4
101.06020	37.1
103.05460	1.7
105.07035	6.1
107.04975	2.2
107.08591	21.5
109.06529	10.1
109.09442	1.9
109.10149	18.2
111.04444	9.7
111.08077	42.1
111.11688	1.3
113.06001	3.6
115.05453	7.3
116.97238	8.7
116.98618	4.5
117.07001	2.4
119.08581	7.9
121.06512	3.4
121.07650	1.2
121.10143	44.3
122.10477	1.3
123.08068	3.3
123.11674	8.6
125.06025	2.3
125.07908	1.3
125.09723	1.5
126.05508	1.9
127.07553	74.6
128.06232	18.8
128.07880	1.7
129.05513	7.7
129.06999	6.4
131.04918	5.0
131.99576	2.6
134.99643	2.0
135.08063	2.5
135.11691	27.4
136.07573	2.0
136.12045	1.3
137.09589	2.7
139.07585	8.1
139.11179	100.0
140.11502	3.2
141.06992	5.0
142.07738	1.8
143.04915	2.2
143.08548	11.2
145.06471	2.0
145.10135	12.3
152.06184	11.3
152.96922	2.3
153.07005	20.1
153.09064	2.0
153.12743	35.8
154.13065	1.8
155.04929	1.1
155.06001	1.9
155.07118	1.1
156.09335	4.2
157.06477	10.2
157.10104	1.9
163.08775	1.2
163.11203	18.1
166.07794	1.8
169.06470	10.1
170.07219	2.3
171.04361	1.6
171.08052	40.0
171.09492	2.5
171.11719	3.5
172.08389	2.2
175.98572	5.2
181.06454	43.9
181.08757	2.4
181.12213	25.8
182.07068	2.6
182.12541	1.1
184.05228	2.7
184.08821	1.6
185.05995	2.3
197.05978	3.3
198.06721	4.1
199.03990	5.7
199.07542	96.9
199.11189	14.9
199.13293	14.5
199.14885	3.3
199.18892	55.9
200.04552	1.0
200.07799	7.1
200.09377	1.2
205.83205	1.1
209.07097	2.9
217.04939	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	199.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.1
55.01870	11.3
55.05511	59.8
56.05839	1.6
57.03432	4.0
57.07064	2.6
59.04995	7.1
65.03938	1.4
67.05502	32.1
68.87997	1.3
69.03429	17.6
69.07069	33.8
69.44058	3.7
69.44453	1.7
70.07376	1.3
71.04992	5.6
73.06524	1.1
74.09710	8.5
79.05486	16.2
81.06586	2.0
81.07057	36.9
82.07407	1.3
83.04981	18.4
83.08636	6.5
85.02903	3.2
85.06546	34.2
86.09663	1.1
88.81160	1.4
91.05479	7.8
93.07044	31.7
94.07376	2.1
95.04942	2.7
95.08589	9.0
97.02911	1.7
97.06525	27.5
98.97577	4.6
99.04448	5.2
99.08097	5.5
100.07623	2.2
101.06017	46.9
105.07025	6.8
107.04998	1.1
107.08592	24.1
109.06517	11.2
109.10149	18.2
111.04437	7.0
111.08078	40.9
113.06013	5.0
115.05475	3.7
116.97243	6.0
116.98626	2.8
117.07008	3.6
119.08566	10.5
121.06485	3.2
121.10138	44.4
122.10429	1.5
123.08074	1.6
123.11709	10.0
125.05975	2.6
125.09619	1.4
127.07554	83.1
128.06209	4.7
128.07854	1.3
128.59267	1.1
129.05489	11.0
129.06981	2.4
130.07764	1.1
134.99687	1.8
135.08080	2.6
135.11693	24.9
136.07547	1.7
136.12045	1.5
137.09633	3.1
139.07562	7.5
139.11172	100.0
140.11497	1.7
141.07022	2.4
142.07802	3.7
143.08574	7.5
145.10129	15.6
146.10402	1.3
153.07184	4.2
153.09192	1.4
153.12737	46.1
155.07161	1.3
155.08525	1.6
156.09312	3.3
157.10141	10.8
163.11177	24.2
164.88986	1.1
169.10121	1.4
171.04381	1.8
171.08070	5.7
171.11639	3.3
175.98531	3.3
181.06462	4.3
181.12225	31.5
184.05089	1.3
184.12500	1.5
199.03912	3.1
199.07561	10.7
199.11156	3.9
199.13275	14.5
199.14871	15.8
199.18875	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58113	0.5
53.03931	0.6
55.01865	2.1
55.05504	5.6
56.05832	0.9
57.03430	0.8
57.07063	2.0
57.26921	0.5
59.04989	1.8
65.28045	0.6
67.05495	1.8
69.03411	2.6
69.07068	6.2
70.06586	0.7
70.07387	0.9
71.04979	1.2
71.08633	0.5
71.29479	0.6
72.04504	0.7
74.09723	4.9
78.00353	0.5
79.05482	3.9
81.07047	5.2
83.04980	2.7
83.08619	1.3
85.04478	0.6
85.06516	1.7
91.05467	3.4
93.07040	10.8
95.08588	2.5
97.06536	5.0
98.97578	1.9
99.04444	0.9
100.07613	1.1
101.06009	1.8
105.07033	7.3
107.08582	6.8
109.06534	0.9
109.10131	1.3
111.04461	3.0
111.08092	2.0
115.05485	1.3
115.07569	1.4
116.97227	2.8
116.98579	0.8
117.07001	0.8
119.08552	3.2
121.10140	100.0
122.10480	3.1
123.08035	1.5
125.05986	2.6
127.07548	3.1
128.06198	3.3
129.07024	1.1
131.08640	0.6
132.43512	0.6
133.07607	1.4
133.32660	0.6
134.99663	0.8
135.11702	8.5
137.06023	0.6
139.07565	2.1
139.11165	4.1
141.06927	1.2
142.07808	1.4
143.04884	0.7
143.08592	3.9
145.10138	2.0
145.18086	0.6
152.06165	1.4
153.07014	2.3
153.12752	2.6
155.07083	1.1
156.09435	1.4
157.06569	1.0
157.10109	3.2
163.11194	6.5
169.06522	0.7
171.04346	0.7
171.08011	3.9
171.11671	1.7
175.98558	1.1
181.06445	3.0
181.12233	21.4
182.12616	0.7
199.03908	0.8
199.07507	9.3
199.11229	3.0
199.13191	0.9
199.14973	2.8
199.18884	22.9
200.04776	0.8
205.27109	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0917
Annotation	L-Anticapsin
Peak:m/z	Relative Intensity
53.03942	2.2
55.01878	1.6
56.96566	1.1
67.05471	0.6
68.05020	2.2
69.03430	7.3
69.53728	0.5
69.71356	2.2
75.57258	0.5
78.74470	0.5
79.05496	0.7
80.05019	7.0
81.07069	1.8
82.06570	0.7
84.04504	3.8
86.06068	34.8
87.04472	14.4
91.05483	3.6
93.05775	2.1
94.06590	0.9
96.04490	16.9
96.05112	1.0
96.08126	1.0
97.02894	0.9
98.06035	3.0
98.23218	0.6
98.97573	3.3
106.06549	3.8
106.19942	0.5
107.07392	0.7
108.04483	8.6
108.08117	40.1
109.08435	1.2
110.06055	7.4
110.09675	0.6
114.05541	5.7
116.98617	1.2
118.06527	1.1
120.41578	0.5
124.03978	0.7
124.07600	6.5
126.05544	3.3
126.09175	3.7
130.05003	3.6
131.03831	0.5
134.06010	1.0
134.99605	0.6
136.07576	100.0
137.07913	2.8
138.09122	1.1
142.05009	1.4
152.07053	2.0
154.08638	9.1
154.12259	0.6
156.87796	0.6
164.07069	31.8
165.07550	0.6
170.08180	1.3
182.08125	42.9
183.08470	1.6
184.09662	1.4
200.09206	6.3
200.19206	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.05519	2.2
57.03435	1.6
58.96110	0.5
59.04997	2.3
61.02927	6.9
67.05495	0.8
67.13141	0.4
68.05031	1.0
69.03429	0.5
69.05811	0.6
69.07062	1.8
69.37152	2.8
70.06593	67.0
71.04993	21.2
71.06943	0.5
72.08157	9.4
79.05506	3.0
81.07059	13.8
82.06602	0.6
84.08138	1.5
85.06537	0.5
87.08113	1.6
96.08133	0.6
97.08923	0.8
98.06068	0.5
98.09718	1.1
98.97610	0.8
108.35554	0.5
113.05998	0.7
113.09675	0.5
124.11251	1.3
126.09145	1.3
126.12793	100.0
127.13113	2.7
131.94768	0.4
136.07593	0.7
140.10715	11.7
142.12274	55.6
143.12613	1.6
154.08630	1.5
156.13840	0.9
168.13847	12.4
182.08136	0.6
182.11760	0.7
188.74309	0.5
200.12820	16.1
200.16452	24.3
201.13075	0.5
201.16859	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1639
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
52.08294	0.7
53.03938	0.8
55.05506	2.4
57.07067	2.5
65.03912	0.8
67.05515	4.7
69.07069	7.1
79.05502	3.5
81.07062	10.2
83.08597	1.2
85.02630	0.7
91.05482	7.2
93.07056	6.6
95.08612	9.0
103.05476	0.9
105.07034	14.8
107.08601	7.8
109.10156	2.7
110.05588	0.6
115.05434	1.3
116.06317	0.6
117.07016	9.7
119.08585	14.7
121.10158	4.7
123.05502	0.7
128.06183	1.1
129.07004	3.7
130.07806	6.0
131.08577	20.9
133.10133	9.7
142.07779	1.0
143.08546	8.8
144.09341	5.4
145.10127	58.2
146.10826	1.2
147.11664	2.5
157.10115	7.6
158.10947	5.2
159.11699	53.1
160.12094	1.6
171.11690	9.6
172.12447	2.1
173.13268	15.6
174.13605	0.9
186.14085	7.4
201.16393	100.0
202.16718	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	202.056
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32536	6.3
69.32938	13.3
79.86395	2.6
82.01418	3.5
82.99834	2.6
98.90556	2.8
100.02487	10.7
101.00868	34.0
102.00927	4.7
110.35738	2.4
118.03467	4.6
119.01920	100.0
120.02034	14.0
130.57068	2.6
131.01917	4.2
133.03488	5.1
137.02959	32.1
138.03043	3.4
142.03471	35.1
143.03680	7.8
160.04544	36.8
161.03004	17.2
161.04605	20.2
162.33780	3.0
175.04633	4.3
178.01045	14.7
178.05632	13.3
179.00700	14.8
179.04013	25.4
179.05733	9.2
186.51088	2.9
220.02124	35.2
221.01842	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.1074
Annotation	L-dihydroanticapsin
Peak:m/z	Relative Intensity
55.01868	7.1
55.05514	4.6
56.01396	1.7
56.05040	1.8
56.96561	1.2
57.03435	1.4
57.07077	19.7
58.17426	0.7
59.05006	0.7
65.03941	0.9
67.05509	11.2
68.05027	5.3
69.03427	1.6
69.05814	2.3
69.07069	11.2
69.51898	3.5
70.02954	16.1
70.06212	1.0
70.06591	14.7
71.05000	2.6
72.04518	21.1
72.08154	7.7
73.02918	18.7
74.02446	2.8
74.09735	5.6
74.10093	1.0
79.05472	1.5
81.07063	2.1
82.02940	3.3
82.06569	1.3
83.04983	2.1
83.07363	3.0
84.04505	22.3
84.08132	2.4
85.02908	4.2
85.06549	10.2
86.06079	4.3
86.09701	6.0
87.04473	9.6
87.08105	4.3
90.05542	3.4
94.79883	0.8
95.04971	14.2
96.04505	2.6
96.08123	4.9
97.06544	1.8
98.02416	34.2
98.06051	11.7
98.09660	0.9
98.23267	0.9
98.97575	1.3
99.08098	1.6
100.03979	29.8
102.05541	2.0
103.07582	3.2
110.06036	0.8
110.09679	11.6
112.07597	2.2
112.11266	3.0
113.06002	9.0
114.05543	8.8
114.09189	1.3
116.03455	25.2
119.01952	1.0
123.25402	0.7
124.07594	31.4
125.07909	1.2
128.03442	14.4
129.13902	1.0
130.05006	8.3
130.06505	0.9
130.08638	2.2
131.05321	1.3
131.07037	1.9
132.10205	3.0
138.09125	7.1
139.09497	0.9
140.10701	100.0
141.11067	1.6
142.04988	7.7
142.08629	34.2
142.12288	9.5
146.04478	1.5
148.09683	1.4
156.04478	1.0
156.10202	24.0
158.11766	30.6
160.09689	9.4
161.05870	0.7
166.08624	2.5
174.05522	3.3
174.11269	2.9
184.08073	1.6
184.09709	28.3
184.13318	37.4
185.10069	2.1
185.13686	0.9
186.11201	1.3
200.67471	0.8
202.10742	89.3
202.14363	23.8
203.05313	1.4
203.07034	1.0
203.10995	2.0
223.08426	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87497	1.1
56.05022	1.9
57.03431	2.5
61.02943	1.2
63.76197	1.0
67.34171	0.9
70.06593	17.3
70.94024	2.4
71.06113	1.4
73.02902	3.7
84.04535	1.2
85.02908	16.8
86.06025	1.1
87.01113	1.0
97.02889	2.0
100.07608	3.4
101.00883	10.3
103.03946	8.4
103.22429	1.1
114.05521	11.8
116.07105	2.4
119.01917	13.8
131.01828	4.6
132.63451	1.1
138.03435	1.4
143.01884	10.1
155.01868	2.0
158.08116	11.4
161.02972	21.5
173.02997	2.2
180.35611	1.1
185.02954	1.2
203.05283	100.0
203.15054	1.9
204.08670	13.5
221.05032	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0525
Annotation	Unknow
Peak:m/z	Relative Intensity
59.53351	1.2
60.08136	1.5
64.28172	1.1
69.78228	2.3
69.78599	3.8
70.06583	3.4
85.02901	14.5
88.08758	1.8
100.07607	2.8
101.00892	4.0
103.03883	1.2
109.76834	1.3
110.12175	1.2
119.01904	3.0
139.53526	1.1
143.01889	4.2
161.02959	4.7
203.05269	100.0
203.15002	1.3
204.05658	1.7
204.12212	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
51.02385	0.8
53.03940	1.4
55.01870	0.8
55.05511	10.3
57.07073	7.5
58.07391	0.9
62.06079	2.2
67.05505	14.8
69.07071	15.6
70.06577	1.0
71.08631	1.5
71.30637	0.8
71.31013	0.8
71.77648	0.7
75.97699	0.8
79.05508	7.4
81.07056	30.6
82.07383	1.0
83.08636	4.6
91.05477	17.4
93.07043	15.3
95.04965	1.5
95.08607	50.1
97.10194	1.6
103.05454	1.7
105.07032	100.0
106.07327	2.3
107.08591	23.6
108.11452	0.8
109.06516	1.3
109.10155	26.4
115.05402	1.1
117.06995	3.9
119.04951	0.8
119.08581	66.6
120.08859	1.1
120.96500	1.4
121.10139	22.9
123.11717	4.9
128.06245	1.5
129.06993	2.6
131.08565	7.8
132.09261	1.5
133.06511	1.6
133.10133	51.7
134.10521	1.4
135.11702	9.1
142.07785	1.4
143.08528	1.0
145.10101	8.5
146.10909	1.0
147.04492	0.8
147.11685	78.9
148.12093	3.3
157.07637	1.3
157.10121	2.8
159.11732	5.3
160.12549	3.8
160.13649	0.8
161.06036	1.1
161.09641	1.3
161.13258	32.2
162.13692	1.3
174.14063	1.7
175.14825	7.8
185.09602	1.8
185.20953	1.2
198.51500	0.8
203.07001	2.3
203.08630	1.7
203.10681	3.6
203.14310	5.0
203.17958	85.4
203.21968	16.3
204.08701	0.8
204.18306	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
55.01868	1.4
55.05505	15.1
57.07064	3.9
61.69357	1.3
62.16038	1.5
67.05499	23.3
69.07066	16.6
70.06595	1.7
79.05498	13.4
81.07055	43.4
83.04991	1.6
83.08627	9.8
86.99748	1.8
91.05477	22.1
93.07043	20.0
95.04965	3.1
95.08604	60.9
105.03331	1.6
105.07028	62.6
107.04979	2.0
107.08593	31.7
109.02930	1.4
109.06503	2.7
109.10152	40.8
111.11742	1.6
114.05588	1.8
115.05469	3.5
117.07029	7.5
119.04948	1.9
119.08579	64.5
120.08979	1.4
120.96493	1.5
121.06457	1.7
121.10142	21.3
122.10507	1.4
123.11712	8.6
128.06207	3.9
129.06989	7.2
130.06514	3.0
131.08572	7.5
133.06487	2.6
133.10126	70.6
134.10521	2.2
135.08101	1.4
135.11746	7.9
135.12556	1.4
142.07730	2.6
143.08554	3.5
145.10124	12.9
147.04393	4.7
147.08023	2.1
147.11684	74.1
148.12019	2.6
157.06468	5.8
157.07593	2.3
157.10132	4.6
159.08138	1.6
159.11700	9.5
160.12491	6.3
161.06059	3.5
161.09618	3.8
161.13248	32.8
175.03908	4.5
175.07442	3.5
175.11151	2.4
175.14769	10.5
185.06004	3.8
185.09546	2.7
185.13211	3.0
188.08305	1.4
193.04994	4.0
196.76405	1.8
203.03354	4.0
203.05313	2.1
203.06784	8.2
203.10439	9.2
203.14355	13.0
203.17950	100.0
204.04024	1.7
204.08499	1.5
204.18272	3.7
215.73785	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
55.05510	11.5
57.07063	2.1
57.66189	0.6
65.03929	1.2
67.05503	16.7
68.60411	0.7
69.07067	13.2
70.43989	1.5
70.44339	1.1
71.64130	0.7
79.05492	5.9
81.06584	1.5
81.07054	28.4
82.03774	0.8
83.08615	6.2
88.93691	0.6
91.05479	12.3
93.07041	12.7
95.08604	53.9
97.10142	2.2
104.34158	0.7
105.07026	40.5
106.07274	0.8
107.08589	23.1
108.08882	0.7
108.20621	0.7
109.06535	0.8
109.10155	38.9
110.10497	0.8
115.05422	1.1
115.74687	0.8
117.06999	2.0
119.04974	1.1
119.08578	61.4
120.08945	1.0
120.23648	0.8
121.10134	19.1
123.11695	7.2
126.53621	0.7
128.06209	1.4
129.06993	1.7
130.06563	1.1
131.08574	4.2
133.10129	52.8
134.10428	1.3
135.11699	7.3
142.07777	1.2
145.10107	7.0
146.10887	0.9
147.04399	2.1
147.11682	58.0
148.12073	2.7
157.06467	1.0
157.07672	0.9
157.10123	1.7
159.11682	5.5
160.12456	2.3
161.05923	0.9
161.09706	1.1
161.13249	25.5
161.14583	1.6
162.13600	1.6
173.13243	1.6
174.14032	1.3
175.03928	2.7
175.07434	0.8
175.10985	0.8
175.14825	12.7
185.06035	1.3
185.09515	0.8
185.13216	1.1
193.04924	1.2
203.03424	1.8
203.07011	2.2
203.10658	2.0
203.14288	3.9
203.17946	100.0
204.18304	4.9
211.71123	0.9
215.59772	0.7
216.70645	0.8
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	Plastoquinone-1
Peak:m/z	Relative Intensity
51.20480	1.3
53.03936	4.2
55.01860	1.7
55.05515	9.0
57.03411	1.6
57.07059	3.8
65.03922	2.6
66.99030	1.2
67.05503	9.5
69.03433	15.1
69.07053	4.0
69.59393	6.0
71.04979	3.1
73.89249	1.3
77.03894	1.3
79.05500	8.6
80.61905	1.3
80.79297	1.4
81.03421	1.7
81.07043	4.4
83.04983	7.3
85.02901	6.7
91.05486	29.1
93.07051	18.6
95.04960	4.6
95.08622	9.0
97.02870	2.7
98.22643	2.6
103.05469	3.5
105.07034	41.3
107.04946	5.6
107.08604	29.0
109.02834	1.7
109.06493	3.4
111.04431	4.7
115.05453	5.7
117.07021	23.6
118.07291	1.7
119.04950	1.3
119.07790	3.0
119.08587	42.6
121.02820	2.1
121.06509	82.8
121.10150	17.5
123.04434	6.4
123.08059	3.1
127.03944	1.7
128.06226	5.0
129.06998	19.9
130.07823	7.7
131.04961	2.5
131.08580	31.1
133.06380	3.2
133.10121	10.8
135.08057	23.4
135.11690	15.4
137.06042	3.6
141.06979	2.3
142.07780	2.2
143.08585	8.1
144.09337	29.0
145.06480	6.1
145.10127	66.2
146.07213	1.8
146.10886	1.8
147.08060	11.5
149.02350	21.2
149.05992	7.1
149.09601	2.8
149.13295	8.2
152.27502	1.4
154.07776	2.1
157.06473	3.1
157.10139	5.3
158.07216	2.6
159.08107	6.6
159.11694	98.9
160.12009	2.0
161.09633	13.0
162.10419	2.2
163.07579	9.7
163.11182	19.2
169.10030	2.1
172.08823	12.7
175.07561	1.7
175.11166	1.5
176.11804	1.5
177.09171	2.4
177.12759	16.6
187.11174	31.1
187.90463	1.3
190.09970	1.5
205.12244	100.0
206.12592	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0814
Annotation	Doryphornine
Peak:m/z	Relative Intensity
52.92306	0.5
53.03934	1.6
54.03460	0.7
55.01865	1.0
55.05509	4.9
57.03418	1.5
62.20512	0.6
65.03944	2.8
67.05506	28.3
68.05028	0.6
68.06274	0.7
69.03404	2.3
69.07079	3.1
70.44729	1.3
71.04986	1.8
79.05501	7.8
80.05013	0.9
81.03413	1.0
81.07056	4.8
82.02964	3.1
82.06586	0.6
83.04969	0.9
84.04488	1.8
89.54080	0.6
89.93258	0.7
91.05478	8.3
93.05788	1.5
93.07047	3.3
94.06542	1.8
95.04371	0.8
95.04970	15.6
95.08624	2.7
96.04488	4.2
96.05721	1.4
97.06527	2.1
99.04426	2.2
103.05439	1.2
105.04522	0.8
105.07037	18.4
106.06530	1.6
107.04966	1.0
107.07388	4.7
107.08586	10.5
108.08121	22.2
109.06517	1.4
109.08453	0.7
109.10172	3.5
110.06047	7.7
115.05452	0.9
116.08938	0.6
117.05718	0.9
117.07021	2.5
118.94724	0.5
119.05010	0.6
119.06122	0.7
119.08579	26.0
120.08070	0.7
121.06532	4.7
121.10130	2.3
122.06025	2.3
122.09677	7.2
123.08064	3.1
125.06032	0.8
128.06252	1.4
129.07031	1.2
130.07758	0.9
131.08562	3.6
132.08092	1.6
133.06470	2.2
133.10130	8.2
134.05980	2.0
135.06819	2.0
135.08043	4.3
135.11620	0.7
137.09622	0.9
141.06964	1.0
143.08539	2.6
144.09348	0.9
145.06508	1.0
145.10101	1.9
147.08043	4.1
147.11693	23.3
148.07620	1.0
149.09584	1.0
150.02702	0.7
150.09146	36.3
151.07466	0.7
151.09497	1.3
152.07008	0.7
156.09389	4.6
159.08037	1.8
159.11691	14.2
160.08798	0.8
161.09627	2.8
161.13260	13.0
171.11691	2.6
175.03984	0.6
177.12744	3.6
178.08633	100.0
179.09105	3.0
189.12743	8.0
206.08138	64.1
207.06607	1.3
207.08484	2.4
207.13806	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	207.0652
Annotation	2-Hydroxy-3-methylbenzalpyruvate
Peak:m/z	Relative Intensity
50.95537	1.8
53.03947	13.2
55.01876	32.6
55.05495	1.8
57.03424	5.6
61.02901	3.1
65.03928	9.3
66.34031	1.7
67.05504	10.9
68.99788	3.4
69.03430	14.6
69.43657	8.3
71.01346	12.7
77.03911	3.8
78.04674	2.8
79.05494	74.5
81.03425	32.0
81.07063	7.1
83.01319	3.4
83.04961	4.9
84.08132	5.7
84.57074	1.8
85.02911	14.2
91.05479	61.4
93.03415	5.3
93.07042	12.8
95.01340	3.9
95.04969	52.6
95.08588	8.1
96.04329	1.6
97.02901	15.9
98.22619	2.0
99.04408	2.3
100.25432	1.9
103.05468	22.4
105.03388	2.7
105.04498	4.5
105.07030	100.0
106.04186	2.7
106.07358	1.9
107.04955	99.5
108.05253	1.9
109.02882	35.8
109.06517	10.3
109.07658	5.2
110.97805	1.7
111.04424	10.9
115.05448	38.5
117.07018	4.1
118.04169	4.8
119.04944	49.2
121.02872	25.5
121.06514	25.9
121.07574	3.3
123.04431	13.5
123.08035	5.0
125.02341	3.7
131.04938	27.5
132.05705	6.5
133.02834	2.4
133.05453	2.7
133.06483	67.1
135.04414	93.5
137.05980	10.5
137.07091	4.9
138.09131	4.0
143.04910	11.2
145.02841	6.5
145.03966	3.6
145.06425	2.9
146.03651	6.0
147.04407	20.8
148.05208	3.4
149.05989	14.8
151.03958	2.3
151.07527	10.5
159.04439	12.0
161.05977	98.1
163.03912	22.6
165.05469	4.4
168.96696	1.8
171.04431	2.8
177.05476	19.1
179.07008	19.2
185.84747	2.0
189.05409	24.3
189.13948	3.5
207.06529	85.2
207.11075	2.3
207.15025	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	207.0653
Annotation	2-Hydroxy-3-methylbenzalpyruvate
Peak:m/z	Relative Intensity
51.02366	2.4
52.33709	1.9
53.03947	10.5
55.01873	22.5
55.05504	4.0
61.02924	2.1
65.03942	7.0
67.05503	9.2
69.03426	11.2
70.81639	2.8
71.01363	8.3
71.04991	2.7
73.70400	1.8
77.03940	3.8
79.05495	61.3
81.03415	17.0
81.07065	8.1
83.04990	3.5
84.04582	1.8
85.02905	9.1
91.05481	66.2
93.03423	4.3
93.07069	9.3
95.01288	1.5
95.04964	35.0
95.08630	8.2
97.02898	9.6
99.04493	3.0
103.05471	19.1
105.03396	3.1
105.04550	3.8
105.07030	100.0
106.06602	2.4
106.07309	2.4
107.04959	73.0
107.08611	5.5
109.02874	22.5
109.06511	10.3
109.10162	1.8
111.04443	4.4
115.05452	29.7
117.07018	6.9
118.04153	2.5
119.04946	58.9
119.08601	9.9
121.02888	14.3
121.06506	15.3
121.10169	3.1
123.04446	8.9
123.07285	1.5
123.08050	8.2
125.02367	5.1
128.06255	2.1
129.07011	2.1
131.04926	19.2
131.08598	2.2
132.05707	5.3
133.02881	1.8
133.06494	71.5
133.10129	4.6
135.04417	58.7
135.08058	1.9
136.07603	1.7
137.05972	8.8
137.09634	1.9
143.04944	5.9
145.02870	3.0
145.06558	2.2
146.03667	4.1
147.04402	14.0
147.08055	4.6
147.09171	2.1
147.11670	3.0
148.05179	2.3
149.05994	6.5
151.07545	5.0
159.04407	9.0
161.05980	79.9
161.09637	4.3
161.13300	4.8
162.05481	4.8
163.03897	28.0
165.05536	2.7
171.04434	3.5
177.05482	9.9
179.05547	2.8
179.07001	14.0
189.05450	13.7
189.12767	3.9
207.06509	50.9
207.11295	6.0
207.13843	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	207.1015
Annotation	Vibralactone C
Peak:m/z	Relative Intensity
51.06382	1.7
53.03943	7.7
54.59274	1.8
55.01874	9.6
55.05516	12.2
57.03422	3.4
57.07073	2.9
65.03938	6.0
67.05505	35.3
69.03426	12.4
69.07070	3.9
71.04992	20.3
72.00565	2.0
72.72659	2.1
79.05489	30.8
81.03410	5.6
81.07050	11.9
83.04984	23.0
83.08649	2.9
85.02905	3.7
91.04897	3.5
91.05476	71.2
93.07052	18.2
95.04973	19.9
95.08616	11.8
97.06528	3.0
99.04453	2.6
103.05492	3.7
105.03377	17.6
105.04509	2.0
105.07025	61.4
105.25636	2.2
107.04948	100.0
107.08582	11.0
109.02828	3.0
109.06512	4.4
109.10170	7.2
110.47303	2.0
111.08073	2.5
115.05460	8.2
117.07007	32.6
119.04956	4.6
119.08569	49.9
121.02929	4.3
121.06495	7.9
121.10154	7.7
121.84694	1.8
123.04413	4.7
123.08072	6.2
123.11690	4.0
128.06210	24.4
129.06999	12.3
131.08578	4.6
133.06458	10.9
133.09196	4.2
133.10121	36.3
134.05997	3.6
135.08051	5.7
135.11736	3.1
137.09563	3.5
143.08551	35.7
145.06476	10.8
145.10127	5.6
147.08035	23.9
147.11671	10.4
149.09627	6.7
151.07573	5.5
155.06117	2.8
161.06081	2.2
161.09607	56.6
161.10880	3.3
161.13278	9.2
163.11168	7.5
165.09064	5.0
171.08047	13.1
179.10669	3.6
180.74467	2.2
183.10185	4.3
187.21596	2.2
189.09113	23.5
189.12766	6.8
189.16383	6.9
189.43582	2.1
207.10103	27.5
207.11925	4.3
207.13672	17.6
207.17290	10.0
208.20563	2.4
213.05939	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16640	0.6
50.16869	0.6
53.03951	0.8
55.01883	0.9
55.05509	6.5
57.07086	2.1
59.04985	0.7
59.86507	0.7
67.05508	2.7
69.03606	6.0
69.07069	5.3
69.61105	0.8
71.04982	3.2
79.05482	3.9
81.03411	0.7
81.07056	4.8
83.04971	1.2
83.08651	0.8
91.05481	9.8
92.05793	0.7
93.07037	7.0
95.04967	1.5
95.08607	6.3
98.23357	1.7
99.04456	14.0
103.05455	0.7
105.07032	35.2
107.08595	11.3
109.06530	4.1
109.10157	2.0
111.08119	1.2
113.06046	0.9
117.07012	2.2
119.08582	52.7
120.08900	1.0
121.06548	1.1
121.10146	5.4
123.04457	0.7
123.08082	4.0
123.11730	1.2
128.06230	0.8
131.08563	1.8
132.09334	1.3
133.06500	0.9
133.10126	21.2
134.06010	0.7
134.10521	0.8
143.08559	1.6
145.10129	4.0
147.08076	3.9
147.11685	100.0
148.12003	4.0
149.09624	2.2
151.07547	4.4
151.11156	1.0
156.09404	1.1
156.34445	0.7
159.11705	1.4
161.09618	2.1
161.13260	26.9
162.13618	1.3
163.11159	1.2
165.09125	2.8
165.12758	1.4
171.11676	3.1
171.42682	0.7
189.09135	1.2
189.12752	10.2
192.09366	1.7
207.02965	0.9
207.11935	1.0
207.13794	27.5
207.17442	2.7
208.14154	1.6
208.17035	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	Ibuprofen
Peak:m/z	Relative Intensity
55.05512	13.6
55.93075	1.6
57.03426	2.5
67.05493	6.9
69.03416	6.4
69.07072	8.0
70.18286	3.0
71.04980	6.8
71.52013	1.5
77.91671	1.6
79.05482	9.4
80.34158	1.7
81.07051	8.2
83.04959	2.7
90.91115	1.6
91.05486	17.1
93.07043	12.8
95.04962	8.6
95.08595	9.2
97.06524	3.6
99.04451	5.3
105.07026	49.3
107.08593	31.3
109.06513	4.1
109.10143	11.3
117.07000	5.6
119.04945	2.6
119.08577	81.9
121.06507	15.2
121.10118	6.8
123.08076	10.1
123.11655	2.4
128.06215	3.4
129.07005	3.9
131.08554	15.4
133.06467	5.2
133.10127	27.7
135.08051	13.6
137.09587	4.7
143.08553	7.3
144.09332	6.2
145.06470	4.8
145.10088	4.6
147.08029	14.4
147.11681	72.8
148.12030	3.3
149.09602	5.0
156.09320	13.5
159.08060	3.7
159.11681	44.1
160.08832	3.1
161.09586	7.6
161.13255	41.4
162.13640	1.9
171.11667	7.7
174.10378	5.9
177.12740	12.1
189.12747	32.3
207.13803	100.0
208.14134	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.16459	0.9
53.03946	1.1
55.05511	7.7
57.00783	0.9
57.07066	4.3
59.05004	1.7
64.92441	1.0
65.03954	1.4
67.05501	30.5
69.03428	5.4
69.07050	2.8
70.67233	1.4
70.67561	1.6
71.04996	2.8
77.03947	1.0
79.05505	6.7
81.07060	7.7
81.64526	1.0
83.04974	5.3
84.61361	1.0
85.06538	7.1
91.05471	9.7
93.07043	16.1
95.04984	5.1
95.08606	100.0
96.08934	2.1
97.06532	2.5
105.07026	20.7
106.04775	0.9
107.08596	24.9
109.06519	6.2
109.10152	3.3
111.08112	2.4
113.06010	3.4
117.06989	1.9
119.08581	28.8
120.09373	2.7
121.06493	6.2
121.10145	19.1
123.08067	63.9
123.11716	6.0
124.08414	1.5
125.09666	1.2
131.08543	6.6
133.06442	3.1
133.10120	7.9
135.08041	2.1
135.11690	2.8
137.09637	5.3
137.13275	1.1
139.07521	1.8
143.08542	2.3
145.10103	3.8
147.08035	6.5
147.11674	14.0
149.09610	56.1
150.09976	2.3
151.07509	2.9
151.14796	4.4
155.10426	1.0
156.09315	3.7
159.08023	2.0
160.08835	1.5
161.09660	2.1
161.13251	18.1
161.14563	1.4
163.11185	2.4
165.09116	1.4
165.12762	10.8
171.11685	3.1
174.10435	5.3
179.14302	2.3
189.12733	19.3
190.13026	1.1
207.13806	40.0
208.14310	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.01860	1.6
55.05515	6.2
57.07066	2.8
59.04986	2.7
67.05183	1.6
67.05505	19.5
69.03428	7.9
69.07056	4.6
70.67448	2.8
71.04977	4.0
77.03914	2.1
79.05481	5.2
81.07058	6.6
83.04969	3.8
85.02889	2.1
85.06530	6.4
91.05479	9.0
93.07037	15.7
95.04948	3.6
95.08605	74.9
96.08939	1.6
97.06545	1.7
105.07024	27.6
105.57304	1.2
107.08598	20.5
109.06506	8.4
109.10139	2.3
113.05977	2.2
114.37088	1.3
117.07018	1.2
119.08580	35.4
120.09348	2.0
121.06480	6.0
121.10146	23.5
123.08067	47.1
123.11700	6.2
131.08588	7.0
131.09361	1.5
133.06479	4.4
133.10130	12.9
135.08043	4.6
135.11696	3.9
137.09590	5.4
137.13257	2.8
145.10092	2.7
146.72246	1.2
147.08061	6.8
147.11687	29.8
149.09615	100.0
150.09917	2.6
151.07556	3.4
151.14803	2.6
153.09041	1.7
156.09337	4.4
159.08022	2.7
159.11728	1.5
161.09584	3.5
161.13252	45.7
162.13663	1.8
163.11174	1.9
165.12744	13.5
171.11716	9.6
174.10420	5.0
179.14301	3.0
189.12744	42.1
190.13057	2.4
207.13791	77.0
208.14204	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.98168	1.5
53.03944	3.2
55.01860	2.8
55.05505	16.2
57.03426	4.0
57.07072	2.8
59.04992	2.6
67.05496	11.9
69.03421	11.0
69.07066	10.5
69.78804	5.7
71.04993	4.8
74.31696	1.5
79.05499	13.0
81.03419	4.0
81.07051	14.8
83.04984	10.2
83.05390	1.5
83.12814	1.4
85.02892	7.2
91.05489	20.0
91.79147	1.5
93.07053	18.0
94.04092	1.9
95.04994	8.2
95.08606	19.9
97.06537	14.3
99.04452	4.0
105.07027	33.2
106.39251	1.6
107.08588	27.9
109.06516	94.0
109.10155	10.6
110.07321	2.4
111.08076	4.0
117.07014	5.3
119.06024	2.2
119.08581	53.9
119.09426	2.6
120.09383	3.5
121.06473	3.7
121.10145	25.1
123.08052	29.4
123.11689	3.0
124.08371	1.6
125.05993	2.0
125.09621	27.3
125.99017	1.6
128.06259	2.8
129.07016	3.4
131.08559	11.3
133.06479	5.9
133.10120	19.8
135.07088	3.3
135.08057	36.7
135.11710	3.7
137.05997	3.7
137.09613	100.0
137.13254	4.0
138.09944	4.5
143.08594	3.9
145.06429	2.1
145.10092	4.5
147.08025	11.8
147.11684	32.7
148.11975	1.6
149.09615	60.4
150.09941	2.3
151.07579	8.9
152.08296	6.0
153.09091	14.2
156.09322	6.5
159.08104	4.4
160.08833	2.5
161.09602	7.6
161.13242	37.3
163.11188	4.3
165.09142	4.4
165.12740	30.0
171.11604	9.7
174.10396	6.5
179.14304	8.0
189.12735	36.2
189.14366	2.5
207.13802	61.7
208.14101	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	207.1379
Annotation	Ibuprofen
Peak:m/z	Relative Intensity
53.03932	0.4
53.57767	0.3
53.69047	0.3
55.05511	6.9
57.06823	0.3
57.07061	1.6
59.04985	1.1
64.68977	0.3
65.03940	0.6
65.15157	0.3
66.88351	0.3
67.05494	1.7
68.99882	3.2
69.03429	0.7
69.07066	5.7
71.04987	5.0
78.17084	0.4
79.05484	2.8
81.03409	0.5
81.07038	2.2
83.04977	1.8
83.08607	0.5
85.06515	0.7
87.04408	0.4
91.05473	9.4
93.07037	4.8
95.04964	0.9
95.08617	2.1
96.04398	0.3
99.04449	14.2
101.06004	1.0
103.05448	0.7
105.07024	35.5
106.07344	1.0
107.08591	10.3
107.09298	0.7
108.09408	0.6
109.06506	3.5
109.10145	0.8
113.06016	0.6
117.06999	2.8
119.08573	47.9
120.08904	1.2
121.06470	0.6
121.10127	5.3
123.08089	2.1
123.11700	0.4
129.06998	0.4
130.07803	0.3
131.08578	1.8
132.09334	1.0
133.06523	1.8
133.10120	21.0
134.10504	0.5
135.11670	0.7
137.09584	0.7
143.08565	0.9
145.10121	3.3
146.10896	0.8
147.08054	3.0
147.11674	100.0
148.11990	3.9
151.07547	4.0
155.80684	0.3
156.09325	1.2
159.11713	1.4
161.09595	1.3
161.13245	26.6
162.13631	1.0
163.11160	0.3
165.09087	1.9
165.12772	0.8
171.11646	2.3
174.10410	0.7
189.09077	0.5
189.12721	8.7
207.13795	25.3
208.14146	1.1
213.46129	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03934	2.6
55.01868	1.0
55.05243	0.7
55.05511	13.7
59.04986	1.8
67.01855	0.8
67.05489	3.1
69.03430	29.0
69.07073	1.3
70.30792	1.8
71.04990	0.6
77.03957	0.8
79.01855	1.6
79.05495	6.2
81.07065	1.9
83.04977	2.7
91.05478	9.4
93.03397	1.0
93.07052	7.1
95.04967	3.7
95.08612	6.5
97.06499	0.9
99.04483	0.7
103.05446	3.2
105.04553	1.4
105.07035	13.8
105.90520	0.6
107.04956	4.7
107.08591	6.6
108.05719	1.0
109.02891	1.1
109.06522	7.4
109.10144	1.6
111.08116	0.7
115.05389	1.3
117.06999	2.4
119.08584	9.1
121.06507	72.6
121.10117	4.5
122.06821	1.0
123.04397	1.0
123.08068	17.8
123.11692	0.8
128.06163	0.8
129.06984	1.6
130.07765	2.0
131.08553	0.9
133.06496	35.4
133.07495	1.2
133.10121	2.8
134.06854	0.7
135.08047	9.3
135.11681	3.2
137.09642	1.5
143.08530	1.4
143.15733	0.7
145.10107	3.5
147.08023	2.1
147.11726	3.6
148.08836	0.7
149.09641	3.5
151.07533	9.2
156.09381	0.9
159.07980	0.8
161.06100	0.8
161.09627	2.6
161.13295	2.2
163.11180	100.0
164.11501	3.8
165.09138	1.3
165.12737	0.9
169.08188	0.7
171.11719	1.2
174.10391	1.4
183.10146	0.9
189.09074	1.1
189.12746	8.4
207.10060	1.1
207.13803	31.2
208.14105	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.01875	1.2
55.05272	1.3
55.05515	15.1
57.03441	4.0
57.07060	1.0
61.52353	0.7
62.92019	0.7
65.03926	1.9
67.05508	9.5
69.03429	9.0
69.07069	9.0
70.16976	2.6
71.04999	7.7
79.05496	11.1
81.03445	0.8
81.07066	7.7
83.04977	2.1
85.06522	1.6
91.05489	19.9
93.07044	13.9
95.04976	7.3
95.08607	8.9
97.06538	4.6
99.04466	7.1
103.05471	1.5
105.07032	55.6
106.07358	1.5
107.04955	3.0
107.08596	35.2
109.06518	5.6
109.10155	14.4
109.10843	1.7
111.08142	1.0
115.05503	1.2
117.07030	6.6
119.04903	1.2
119.08583	93.0
120.08915	2.6
121.06512	17.3
121.10130	6.4
123.04414	1.0
123.08075	12.9
128.06221	3.5
129.07053	4.3
130.07741	2.0
131.08583	15.1
133.06471	5.5
133.10138	29.6
135.08057	13.0
135.11694	2.4
137.09628	4.8
137.13220	1.0
141.07004	2.8
142.07751	1.1
143.08569	10.6
144.09346	7.2
145.06464	4.9
145.10141	5.7
146.07156	1.0
146.10860	2.1
147.08051	15.3
147.11690	83.0
148.12029	2.4
149.09613	4.5
149.13333	0.8
150.08911	1.0
151.07530	1.9
151.09456	1.9
155.08586	1.2
156.09363	18.9
159.08080	4.1
159.11697	44.5
160.08809	5.0
160.12022	1.7
161.06047	1.0
161.09653	9.6
161.13261	47.1
162.13574	1.4
163.11198	1.3
165.09177	1.8
165.12767	1.3
171.11707	9.9
174.10402	5.1
176.11980	1.2
177.12755	14.1
179.08980	4.4
189.12753	31.3
190.13133	1.3
207.08594	4.1
207.13808	100.0
208.14166	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03945	1.3
55.01875	0.7
55.05505	2.4
57.02617	0.5
57.07062	1.6
67.05504	4.5
69.03423	0.9
69.07063	3.4
71.04995	0.8
71.30643	0.8
79.05493	7.6
81.03389	0.8
81.07059	4.4
83.04996	0.8
85.02878	0.6
85.06540	0.8
91.05479	7.9
93.07047	9.6
95.04990	2.6
95.08607	4.8
103.52055	0.5
105.07035	10.4
107.04958	0.6
107.08581	4.6
109.06509	1.9
109.10154	1.2
117.07004	1.9
119.08578	8.8
120.99900	0.5
121.06490	1.7
121.10145	4.0
123.04415	0.5
123.08076	5.9
123.11693	2.4
128.06259	0.6
129.07001	1.3
131.08560	2.3
133.06474	2.3
133.10162	2.6
134.06079	0.6
135.08023	1.1
135.11674	1.0
136.08725	0.4
137.05975	0.8
137.09598	1.0
143.08543	1.6
145.10112	3.1
146.68207	0.4
147.08028	1.5
147.11693	10.2
148.07491	0.4
149.09616	5.7
151.07533	6.6
156.09315	1.4
159.08054	3.6
161.05838	0.6
161.09587	1.0
161.13237	2.6
163.11168	2.1
164.11932	1.2
165.09126	1.6
165.12750	1.9
171.11688	2.6
173.09654	1.7
174.10420	6.1
175.10931	0.8
177.09036	2.4
177.12840	0.5
184.51465	0.4
189.12761	8.8
190.12939	0.5
191.10678	3.7
192.09470	1.4
192.11447	26.6
193.11771	1.1
207.13800	100.0
208.14195	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	209.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
53.51899	0.3
55.05523	1.4
56.05024	1.3
57.03444	1.7
65.03886	0.4
67.05499	1.0
69.03437	1.6
69.07059	1.0
70.31838	0.6
70.32166	0.4
77.88396	0.3
79.05508	1.7
80.05022	33.2
81.07052	1.1
82.06580	1.4
83.01363	0.4
83.04991	1.8
83.08623	0.7
84.04510	14.7
85.02910	27.0
86.06071	33.2
87.04458	1.5
87.06387	0.6
91.05489	1.3
93.07055	1.9
94.06593	0.4
95.01331	2.7
95.04972	1.0
95.08597	1.2
97.06544	0.7
102.05549	11.3
105.07016	1.3
106.06561	7.8
107.08603	3.8
109.06536	0.7
109.10158	1.4
111.08109	0.4
112.03974	1.1
113.02412	0.4
117.07011	0.4
118.06557	1.4
119.08605	1.2
120.08113	7.9
121.06521	0.4
121.07678	0.4
121.10110	2.0
123.08089	0.5
123.11708	0.7
125.09676	0.4
126.95907	0.3
130.05008	100.0
131.03447	0.4
131.05367	1.4
131.08595	1.6
133.01520	0.3
133.10121	1.0
135.08061	1.0
135.11707	0.7
136.07571	1.0
137.09630	0.6
139.07501	0.4
141.69986	0.3
145.10130	0.9
146.06055	0.7
147.09157	0.7
147.11678	0.4
148.07607	0.4
149.07115	1.7
149.09628	1.2
149.13290	2.1
150.05537	2.4
151.11185	0.6
153.09129	0.4
158.10994	0.5
163.08730	0.3
163.14812	0.9
164.07059	1.9
167.14359	1.1
173.13324	3.0
180.85431	0.3
181.06535	0.5
191.08215	2.4
191.14314	2.8
192.06558	2.6
195.91449	0.3
209.06067	0.5
209.09261	3.0
209.11449	0.5
209.15422	2.7
210.07646	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
56.05028	1.5
56.96566	0.6
57.03429	0.9
69.03425	1.2
69.31677	1.8
69.32090	0.7
73.99432	0.4
79.05505	0.8
80.05016	30.9
81.05341	0.5
82.06573	1.1
84.04505	14.9
85.02903	23.6
86.03288	0.4
86.06065	32.1
87.04465	1.2
91.05473	0.6
93.07018	0.8
94.06545	0.4
95.01345	2.8
96.04493	0.5
102.05540	11.0
106.06551	8.4
109.06516	0.4
110.06033	0.7
112.03966	1.9
113.02378	0.5
118.06558	1.2
120.08105	7.4
130.05000	100.0
131.05363	1.7
136.07591	1.0
143.03819	0.5
146.06000	0.8
147.09157	1.0
149.07123	1.5
150.05472	1.7
159.03064	0.4
161.04886	0.7
164.07072	2.2
165.10287	0.4
173.59422	0.3
174.05513	0.4
187.02774	0.6
191.08171	3.2
192.06543	2.9
205.03827	1.5
209.09215	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	209.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20137	0.2
53.03953	0.6
53.82055	0.2
56.05031	1.2
56.96580	1.2
57.03440	0.7
65.03947	3.1
66.47913	0.3
69.03455	1.4
69.82996	1.0
70.06593	0.3
79.05490	0.8
80.05020	30.1
81.03415	0.4
81.05372	0.3
82.06596	1.0
83.04991	0.6
84.04511	15.2
84.08178	0.4
85.02911	26.2
86.03244	0.3
86.06072	34.3
87.04475	1.1
87.06405	0.6
91.05505	0.5
93.03421	0.7
94.06559	0.6
95.01343	2.6
95.04988	0.5
96.04495	0.8
97.02910	0.7
98.97596	0.9
101.23893	0.3
102.05544	11.3
105.05739	0.2
106.06561	8.3
109.02885	0.4
112.03966	1.7
113.02407	0.5
118.06539	0.8
119.01934	0.3
119.07301	0.4
120.08112	8.0
121.02846	1.5
121.07645	0.4
130.05008	100.0
131.01929	0.5
131.05357	1.4
136.07567	1.0
143.00177	0.4
145.03452	0.3
146.06030	1.0
147.09209	1.2
148.07579	0.4
149.07094	1.9
150.05521	3.4
163.08693	0.4
164.07104	1.9
165.10257	0.4
191.08173	2.5
192.06566	3.2
197.67160	0.3
209.09207	3.6
209.15358	0.6
214.82243	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01872	0.5
55.05513	4.7
56.05023	1.1
57.03427	1.6
59.04997	0.5
59.29972	0.4
67.05484	1.7
69.03413	1.8
69.07063	1.6
69.24219	2.7
71.04993	0.7
79.05474	1.9
80.05017	35.4
81.03445	0.5
81.05388	0.4
81.07061	2.8
81.37616	0.4
82.06570	1.0
83.01339	2.1
83.04983	4.9
83.08621	1.8
84.03983	0.5
84.04502	15.2
85.02906	25.7
85.06514	0.5
86.06067	32.4
87.04468	1.0
91.05486	2.6
93.07050	3.3
94.06541	0.4
95.01324	2.5
95.04974	1.8
95.08611	2.0
96.04500	0.9
97.02879	1.0
97.06535	1.8
97.10133	0.7
99.04435	0.6
99.08092	1.5
102.05545	12.0
103.05458	0.8
105.07011	2.0
106.06564	7.2
107.08594	5.5
109.06530	2.1
109.10189	2.3
111.04443	1.6
111.08073	1.8
112.03972	1.5
113.02356	0.3
117.07040	0.7
118.06528	0.8
118.87180	0.4
119.08582	1.4
120.08099	8.2
121.10144	4.3
122.06097	0.4
122.46930	0.4
123.08086	0.9
123.11722	0.8
124.78014	0.4
125.09622	2.3
130.05002	100.0
131.05354	1.4
131.08560	1.8
133.10120	2.2
135.08026	1.5
135.11678	1.6
136.07571	1.1
137.09637	0.6
139.07513	1.9
139.11195	1.0
145.10100	1.3
146.06020	0.7
147.08070	0.5
147.09131	0.9
147.11650	1.2
148.07545	0.7
149.07121	1.3
149.09627	2.6
149.13246	2.9
150.05531	2.6
151.11205	1.9
153.09085	1.8
163.11185	1.0
163.14796	1.5
164.07083	2.3
165.12778	0.5
167.14307	2.0
173.13278	2.9
181.06471	0.6
181.15970	0.6
191.08246	2.6
191.10541	0.6
191.14273	4.2
192.06537	2.7
209.05978	1.1
209.09267	3.6
209.11739	1.8
209.15355	6.9
210.07581	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01864	0.5
55.05516	4.3
56.05040	0.9
57.03434	1.4
67.05514	0.8
69.03429	1.1
69.07071	0.6
69.12177	1.3
69.12595	1.7
79.05492	1.9
80.05019	36.3
81.03417	0.8
81.07076	1.3
82.06580	2.3
83.04982	2.2
83.08617	2.9
84.03988	0.4
84.04505	14.1
85.02908	26.1
86.06069	33.9
87.04468	0.9
91.05478	1.3
93.07046	1.7
94.06570	0.6
95.01328	2.7
95.04966	1.7
95.08605	1.3
96.04480	0.5
97.02871	0.7
97.06523	0.7
100.11269	3.8
102.05540	12.4
103.05428	0.5
103.76266	0.4
105.07039	0.9
106.06558	7.7
107.08615	2.0
109.06536	1.5
109.10159	1.1
110.06043	0.8
111.04428	1.1
112.03958	2.0
113.02364	0.6
118.06556	1.2
120.08103	7.2
121.10143	1.5
123.08105	0.6
127.08676	0.5
130.05006	100.0
131.05360	1.4
133.10158	1.0
135.08080	1.1
136.07590	1.1
136.93275	0.4
139.07549	0.5
139.08678	0.6
145.10152	1.1
146.05986	0.6
148.07507	0.6
149.07124	1.2
149.09663	1.0
149.13280	0.8
150.05481	2.7
151.11205	1.3
153.09145	0.7
163.08682	0.6
164.07069	1.7
167.14275	0.6
170.31447	0.4
181.06490	0.7
182.15416	1.4
185.50975	0.4
191.08237	2.8
191.14339	0.8
192.06564	2.5
194.07388	0.5
209.09258	3.9
209.11693	1.2
209.15157	0.7
209.16708	0.8
210.07642	1.8
210.14923	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
56.05043	0.7
57.03420	0.5
57.89201	0.4
69.03422	0.9
69.28330	2.2
79.05486	1.1
80.05019	30.5
81.05328	0.4
82.06562	1.3
83.05005	0.5
84.03983	0.4
84.04506	14.4
85.02908	23.3
86.06069	31.5
87.04475	1.0
87.06414	0.5
88.03931	0.3
91.05476	0.5
95.01337	3.0
95.04960	0.3
102.05546	10.6
103.05451	0.4
106.06557	8.0
107.08604	0.5
112.03972	1.8
118.06522	0.9
120.07346	0.6
120.08125	7.6
121.07607	0.4
130.05006	100.0
131.05338	1.3
136.07599	1.0
146.05989	0.9
147.09193	0.7
148.07547	0.7
149.06070	0.4
149.07103	1.9
150.05513	1.6
163.08679	0.5
164.07094	1.6
181.84782	0.4
191.08159	2.5
192.06541	2.9
209.09279	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	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
51.02369	0.7
53.03945	5.2
55.01872	19.2
55.05511	42.8
57.03433	6.6
57.07075	2.5
57.72130	0.6
59.05005	1.2
65.03942	3.9
67.05505	53.0
68.05844	0.8
69.03429	6.1
69.07067	22.6
70.62988	1.8
71.01337	3.4
71.04996	7.4
73.02914	4.1
74.66414	0.6
75.04523	0.6
77.03916	1.3
79.05492	80.3
80.04572	0.8
80.05020	9.6
80.05829	1.7
81.03418	15.9
81.07054	56.0
82.07396	1.2
83.01333	2.8
83.04980	18.6
83.08619	21.6
84.04503	4.2
85.02897	9.6
85.06539	2.8
86.06063	8.0
87.04455	0.8
91.05477	33.2
93.03401	1.1
93.07041	100.0
94.07342	1.6
95.04968	28.8
95.08604	94.0
96.08945	1.6
97.02892	19.6
97.06532	11.1
97.10173	2.3
99.04445	9.7
99.08099	0.7
102.05542	2.7
103.05452	3.4
105.04503	1.9
105.07025	22.6
106.06553	2.8
107.04955	26.1
107.08593	62.7
108.08903	1.2
109.02901	0.7
109.06512	8.9
109.10146	4.5
111.04445	7.1
111.08084	3.2
113.06010	1.4
113.09582	1.2
115.05456	2.2
116.06207	1.5
117.06210	1.3
117.07022	25.6
118.06521	0.8
118.07305	0.7
119.08582	22.6
120.08095	2.0
121.06503	14.2
121.10137	20.5
123.08092	3.0
123.11713	0.8
125.05980	5.8
125.09608	1.3
127.07559	0.8
128.06192	1.1
129.06990	2.6
130.05003	28.0
130.07764	5.9
131.08595	4.2
133.10121	5.7
135.04424	0.7
135.08064	6.8
135.11690	70.9
136.12012	1.8
137.09579	1.2
139.07535	2.9
143.08536	2.4
145.06458	1.5
145.10120	55.4
146.10449	1.8
147.08060	1.3
147.11687	1.3
149.09579	1.6
149.13278	1.0
150.05508	1.1
150.20444	0.6
151.11166	1.2
153.12701	2.1
155.08539	1.4
163.11180	66.9
164.11589	1.1
165.12755	10.4
167.14304	1.2
173.09625	3.0
177.30331	0.5
179.08385	0.6
181.12210	5.2
191.10634	2.5
192.06587	1.1
194.10962	1.0
203.29080	0.6
209.09555	1.2
209.11688	13.8
209.13239	1.0
209.15166	5.1
210.07556	0.7
227.12840	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	209.1174
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03950	2.7
55.01873	31.3
55.05513	14.1
56.05032	0.7
57.03432	3.9
57.07072	1.6
59.05006	1.4
65.03947	2.6
67.05505	30.4
69.03423	3.0
69.07069	6.6
70.54244	1.7
71.01336	0.8
71.05003	3.7
73.02922	1.4
77.03899	0.6
77.69466	0.5
79.05492	23.8
79.67961	0.7
80.05016	41.0
80.68388	0.6
81.03428	5.2
81.05350	0.7
81.07057	28.0
82.07372	0.6
83.04981	59.3
83.08617	7.7
84.04499	12.7
84.05299	1.5
85.02905	29.6
85.06541	3.1
86.06069	31.0
87.04469	1.9
88.56149	0.8
91.05482	16.5
93.03388	0.7
93.07046	32.5
95.01312	2.2
95.04970	9.1
95.08607	7.8
97.02893	2.8
97.06529	12.4
99.04455	9.9
99.08086	5.2
101.02383	2.1
102.05541	12.5
103.05453	1.5
105.07024	6.1
106.06545	9.6
107.04955	6.7
107.08598	18.1
109.02882	0.9
109.06524	2.9
109.10160	6.3
111.04443	71.3
111.08080	28.9
111.08866	1.0
112.03975	1.7
112.04748	1.0
113.02395	0.8
113.06028	1.6
117.07025	7.6
118.89651	0.6
119.08578	9.9
120.08109	7.2
121.06501	5.8
121.10136	12.8
123.08073	1.3
125.05987	11.4
129.05498	4.6
129.06967	3.2
130.05000	100.0
130.07767	1.9
131.08566	11.4
133.10146	1.5
135.08086	5.5
135.10661	1.1
135.11694	18.5
136.07591	1.4
137.09621	1.4
139.07520	1.5
145.06485	1.2
145.10120	17.1
146.06023	1.2
147.08047	2.5
147.09140	1.1
147.11674	1.7
149.07114	1.8
149.09612	14.6
149.13309	1.6
150.05498	2.5
151.11172	1.0
153.06958	0.8
153.12741	21.2
155.08582	2.7
155.43626	0.6
163.09802	1.5
163.11182	30.2
164.07092	1.4
164.11519	0.7
165.12743	2.9
173.09615	9.9
173.13196	0.7
181.12228	13.4
191.08081	2.1
191.10672	32.6
192.06532	3.4
192.10992	1.1
209.06003	0.9
209.09320	5.1
209.11710	37.1
209.15471	2.1
210.07607	4.1
210.12022	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03945	3.9
55.01877	3.5
55.05511	100.0
56.05870	1.0
57.03441	2.6
57.07069	1.8
59.05002	4.6
63.18327	1.0
65.03983	1.3
67.05505	10.5
69.03422	6.1
69.07069	7.5
69.66142	5.0
71.04985	6.0
79.05485	8.7
80.05016	14.1
81.07066	12.8
82.06581	20.1
83.04980	84.2
83.08617	59.2
84.04509	4.5
84.08147	5.4
85.02899	9.8
85.06552	3.6
86.06078	8.7
91.05476	6.4
93.07039	24.6
94.06584	1.9
95.04967	54.1
95.08600	7.8
96.04504	3.2
96.05286	1.5
97.06526	9.6
97.10171	7.7
99.04456	8.8
100.10585	2.5
100.11252	48.5
102.05563	2.7
104.05000	3.3
105.07053	6.8
106.06575	1.8
107.08588	33.6
109.06516	18.0
109.10142	22.9
110.06039	7.5
111.04459	2.1
111.08075	11.4
113.09645	1.8
118.06554	1.3
119.08587	3.3
120.08123	2.5
121.10137	60.6
123.08089	3.7
123.11716	9.8
125.09626	14.6
127.08702	4.1
130.05005	28.1
130.05945	2.3
131.08597	3.9
131.66090	1.3
133.10110	10.4
133.65056	1.2
135.07988	2.5
135.11719	1.4
136.07603	1.7
137.09572	1.7
139.08638	9.9
145.10101	2.8
149.13261	8.1
150.05510	2.7
151.11186	35.0
153.09100	15.2
163.07567	1.6
163.11201	1.3
163.14827	12.2
164.07097	4.3
167.14307	65.9
168.06561	48.6
168.14684	1.4
173.13283	4.6
179.67763	1.2
191.10721	1.5
191.14302	8.5
192.06543	5.3
209.09396	1.5
209.11978	2.1
209.15294	17.6
209.16647	16.9
210.07616	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.24765	0.8
53.03951	1.5
55.05513	24.3
59.05003	1.9
59.32813	0.8
67.05509	4.2
69.03415	2.1
69.07065	7.1
70.46130	2.0
70.46478	1.3
71.04979	2.5
71.89182	1.0
79.05505	7.2
80.05003	3.1
81.07053	6.7
83.04985	30.6
83.08153	1.1
83.08624	12.8
85.02905	1.3
85.06541	1.8
86.06057	1.5
91.05489	5.5
93.07047	27.1
95.04971	16.1
95.08614	3.7
97.06522	3.8
97.10161	2.2
99.04465	2.7
99.58917	0.8
105.07030	4.9
107.08596	32.5
109.06506	6.6
109.10155	7.9
111.08095	3.3
115.07560	1.1
119.08610	3.9
121.10146	100.0
122.10480	2.4
123.08096	1.8
123.11730	3.8
125.09601	4.6
130.04958	4.7
131.08556	1.1
133.10136	3.8
135.08032	1.4
135.11710	4.0
147.11717	1.2
149.13255	2.9
151.11183	10.8
153.09120	5.5
155.41422	0.9
160.49812	1.0
163.14813	15.8
164.15222	0.9
167.14320	18.3
171.65923	0.8
173.13242	2.4
191.14342	8.4
194.08580	0.9
209.15369	15.1
210.15596	1.0
212.47768	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.05501	5.3
57.03440	2.8
67.05495	6.4
69.03414	6.0
69.07066	5.1
71.83250	1.8
72.46120	1.8
77.76434	1.8
79.05481	8.4
80.05023	23.2
81.03426	4.0
81.07059	16.4
83.04978	2.9
83.08623	2.2
84.04503	6.1
85.02904	12.9
86.06075	13.8
91.05482	11.7
93.07045	3.6
95.01361	1.7
95.04955	3.1
95.08605	9.0
97.06525	1.9
98.23395	3.2
99.04436	2.1
102.05547	5.2
105.07025	9.9
105.86694	1.9
106.06555	2.0
107.04942	2.5
107.08602	26.8
109.06525	9.4
109.10139	11.9
115.05456	4.6
117.07021	5.0
119.08584	6.7
120.08099	4.4
121.10143	19.4
122.07271	9.6
130.05005	41.3
131.08577	3.5
133.10133	100.0
134.10428	2.1
135.08047	21.7
135.11705	2.5
137.09615	75.5
138.09969	2.4
145.10118	4.5
149.13243	13.7
167.14301	2.3
173.13281	5.9
191.14317	4.3
192.06471	2.2
199.90422	2.0
209.11754	3.0
209.15459	4.2
210.07538	2.5
228.76993	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03941	2.5
53.84686	0.6
55.01874	1.7
55.05508	3.7
56.05021	0.6
57.03434	2.4
57.07080	1.7
59.04997	0.8
61.10072	0.6
67.05499	5.4
69.03425	11.5
69.07063	4.8
69.49645	2.7
71.01357	1.0
71.04978	0.9
75.84328	0.6
79.05490	6.3
80.05013	47.2
81.03416	11.1
81.05341	0.6
81.07055	9.3
82.06553	0.8
83.04984	5.5
83.08619	2.1
84.04501	14.9
85.02901	33.0
85.06589	0.8
86.06064	33.7
86.56058	0.7
87.04441	1.4
91.05466	4.7
93.07042	6.4
94.06578	1.1
95.01334	2.4
95.04958	8.7
95.08598	8.8
97.02893	2.8
97.06525	1.9
97.10179	0.8
98.23312	0.7
99.08097	0.8
102.05532	11.7
103.05502	0.8
105.07039	5.4
106.06548	6.9
107.08592	9.7
109.06519	8.8
109.10162	2.5
111.04443	1.5
111.08105	1.5
112.03972	2.0
113.02361	0.7
117.07014	0.9
118.06561	1.5
119.08581	5.6
120.08099	8.3
121.06503	1.6
121.10134	10.2
123.08075	8.7
123.11711	5.6
123.12508	0.9
125.09638	0.6
130.04997	100.0
131.03380	1.1
131.05330	1.9
131.08583	1.5
133.10123	1.7
135.08023	2.4
135.11668	2.9
136.07561	2.0
137.09608	2.4
137.13261	1.7
145.10117	2.1
146.05934	0.9
147.08041	0.7
147.09138	1.4
147.11681	3.1
148.07564	0.8
149.07112	1.3
149.09612	6.4
149.13216	4.3
150.05518	2.2
151.11162	4.6
153.12750	1.3
155.08562	0.6
163.08698	0.7
163.11203	2.3
163.14761	0.7
164.07097	3.1
165.12744	68.1
166.07791	0.9
166.13097	2.3
167.14346	0.8
173.09613	1.0
191.08127	2.5
191.14240	1.5
192.06561	2.8
209.06221	1.0
209.09270	4.6
209.11758	2.5
209.15346	25.6
210.07605	7.0
210.15672	1.1
223.66415	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03941	4.3
55.01862	2.8
55.05511	71.6
57.03436	4.0
57.07063	2.0
58.81074	1.8
59.04995	4.3
67.05494	8.6
69.03426	6.8
69.07066	5.3
69.33077	13.0
69.33384	3.5
71.05011	2.3
79.05482	7.3
81.07059	19.1
83.04981	100.0
83.08618	41.5
85.06546	3.7
91.05482	4.8
93.07051	9.8
93.09164	2.1
95.04955	11.1
95.08599	6.9
97.06525	14.1
97.10177	8.0
98.23459	2.7
99.04446	2.8
105.07052	5.9
107.08585	18.4
109.06528	39.2
109.10151	26.9
111.08075	7.6
121.10131	12.4
123.08080	3.8
123.11706	13.1
125.09629	13.5
130.04993	3.0
133.10129	11.7
135.08006	4.2
139.11327	2.2
147.11703	2.4
149.13243	9.1
151.11188	33.1
153.09085	12.1
157.28125	1.9
163.14853	3.0
167.14313	74.9
168.14589	3.1
173.13309	4.8
191.14304	6.2
202.17686	1.9
209.15385	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03951	2.5
55.05516	13.4
57.03448	3.4
57.07093	2.1
58.44004	1.9
67.05515	10.3
69.03437	3.6
69.07069	15.7
71.04990	2.3
71.14334	2.3
78.39016	1.5
79.05499	12.3
80.05024	43.7
81.07069	18.4
83.04990	14.8
83.08616	6.7
84.04511	15.3
85.02907	31.8
86.06075	34.5
87.04478	2.1
91.05482	11.2
93.07045	32.3
95.04975	6.8
95.08614	24.6
97.06526	10.2
98.68327	1.5
102.05545	11.1
105.07034	36.6
106.06556	9.6
107.05014	1.5
107.08597	71.3
109.06533	6.6
109.10173	14.8
111.08119	4.2
112.03936	1.8
117.07011	4.0
117.35555	1.4
119.08570	18.4
120.08122	7.5
121.06498	4.0
121.10147	29.1
123.08089	4.5
123.11725	5.0
125.09682	2.4
129.07043	4.5
130.05008	100.0
131.05417	1.9
131.08571	38.7
133.10130	26.5
135.08073	11.5
135.11699	15.1
136.07585	1.8
137.09650	3.7
143.08539	7.0
144.09373	2.6
145.10129	17.5
146.06125	1.7
147.11693	6.8
149.09644	8.5
149.13268	16.9
150.05446	1.7
151.11177	8.5
153.09129	1.8
158.10889	13.0
160.12451	3.1
161.13258	22.9
163.14821	36.8
164.07097	2.9
164.15096	2.1
167.14339	7.8
173.13274	50.4
174.13562	2.0
191.08189	1.7
191.14317	35.3
192.06624	3.2
192.14624	1.7
209.09225	3.8
209.15376	35.4
210.07671	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	209.1536
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03940	2.7
55.05514	64.8
57.03419	3.3
57.07070	3.0
59.04981	4.7
60.47379	1.6
67.05495	7.8
69.03436	8.3
69.07061	7.0
71.05003	4.5
71.09913	1.8
71.10249	2.2
79.05487	7.4
80.05014	3.3
81.07066	15.1
83.04984	100.0
83.08620	33.8
85.02906	2.4
89.15914	1.5
91.05495	2.3
91.19472	1.9
93.07053	10.3
95.04973	39.9
95.08595	8.8
96.84244	1.7
97.06533	12.1
97.10181	7.1
99.04461	4.9
105.07037	4.4
107.08585	19.3
109.05793	2.0
109.06519	33.0
109.10159	24.1
111.08067	12.2
121.10158	14.6
123.08099	3.1
123.11708	12.3
125.09645	16.4
130.04996	7.0
131.08530	3.6
133.10133	13.9
135.07990	2.7
145.10094	1.9
149.13290	11.4
151.11188	28.1
152.11649	1.7
153.09125	18.6
167.14330	67.2
173.13251	3.6
178.14822	1.5
191.14326	6.0
209.15401	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.06917	2.4
53.03964	2.0
55.05503	4.7
59.15392	1.9
59.34056	2.9
67.05494	4.8
69.03424	6.8
69.07059	4.3
69.97057	3.3
69.97428	5.0
79.05510	7.9
80.05029	11.5
81.07040	14.6
83.04964	3.6
83.08631	2.8
84.04518	4.8
85.02914	12.3
86.06065	8.8
86.48741	2.1
91.05477	13.7
93.07036	4.5
95.08620	4.7
98.22733	3.4
102.05534	2.8
105.07015	11.4
107.08588	28.4
109.06544	12.3
109.10159	10.6
115.05431	4.2
117.07038	6.2
119.08572	3.6
121.10148	17.8
122.07300	8.2
123.08099	2.9
130.05014	40.8
131.08653	3.7
133.10129	100.0
135.08049	25.5
135.11694	3.9
137.09616	78.4
138.10036	3.3
149.13261	14.8
151.11208	3.3
152.54265	1.9
163.14885	2.2
173.13300	5.1
191.14384	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.02374	0.7
51.45094	0.6
53.03942	2.2
55.01865	2.7
55.05515	7.6
56.05013	0.8
57.03436	1.9
57.07067	2.6
67.05508	9.4
69.03421	3.6
69.06557	1.5
69.07025	9.1
71.01347	1.0
71.04996	3.0
75.90202	0.6
79.05490	8.7
80.05018	46.2
81.03418	6.4
81.07053	11.3
82.06570	1.1
83.04976	7.7
83.08636	3.0
84.04504	15.9
85.02906	36.0
85.06539	1.2
86.06070	32.7
87.04455	1.6
87.06404	0.7
91.05481	6.0
93.07041	15.3
94.06535	0.9
95.01340	3.1
95.04988	5.5
95.08613	19.3
96.04457	1.3
97.02904	3.1
97.06515	2.9
97.10158	0.7
98.23396	1.0
99.04457	1.7
99.08077	1.3
101.06000	0.9
102.05550	11.5
105.07034	5.9
106.05855	0.7
106.06562	10.4
107.04957	1.8
107.07860	1.2
107.08595	22.4
109.06526	13.3
109.10157	5.7
111.04455	2.2
111.08082	2.6
112.03969	2.1
113.02396	0.9
117.07016	2.4
118.06538	1.7
119.08583	2.4
120.08118	8.0
121.06480	2.0
121.10150	15.9
123.08060	2.8
123.11698	1.8
125.09670	2.0
126.97771	0.6
129.07007	1.0
130.05002	100.0
131.05319	2.3
131.08563	2.9
133.10143	6.2
135.08054	8.0
135.11688	4.3
136.07581	1.6
137.09645	2.6
139.07524	1.0
139.11246	0.8
145.10139	3.6
147.08092	0.9
147.11681	1.7
149.07115	1.6
149.09627	2.6
149.13254	18.9
150.05510	2.0
150.13469	0.7
151.11182	12.5
153.09113	3.9
153.12689	1.6
163.11176	4.2
163.14844	4.1
164.07043	2.6
165.12778	1.9
166.07906	0.7
167.10623	1.3
167.14323	0.8
173.09657	1.2
173.13251	3.4
179.08517	0.6
181.06488	0.8
191.08185	2.9
191.10725	1.3
191.14313	10.9
192.06532	3.4
209.06023	1.0
209.09322	4.7
209.11720	3.5
209.13426	1.6
209.15334	11.2
210.07588	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03942	1.1
55.05512	8.8
57.03425	1.3
57.07075	2.2
59.04996	2.2
65.03938	1.0
67.05508	10.9
69.03431	10.7
69.06686	0.9
69.07068	17.0
69.07421	1.3
69.23016	5.8
71.05002	7.0
79.05489	6.8
80.05023	3.6
80.91911	0.9
81.03416	2.4
81.07053	17.1
83.04983	14.1
83.08621	4.6
84.04494	1.6
85.02906	5.7
86.06084	4.9
91.05482	6.1
93.07038	11.4
95.04958	6.8
95.08604	27.0
97.02918	1.7
97.06529	8.2
99.08072	4.5
102.05544	1.9
105.07027	11.4
106.06557	1.5
107.04959	1.7
107.08592	35.6
109.06526	8.6
109.10160	13.1
111.04457	1.6
111.08092	2.9
113.09605	1.6
115.05466	0.8
117.06953	1.5
119.08569	6.3
120.08050	1.0
121.06487	5.3
121.10144	35.3
121.11022	1.8
121.47653	0.7
123.08073	6.2
123.11727	5.4
125.09634	9.3
130.04996	10.9
130.83804	0.7
131.08574	5.9
133.10118	16.5
135.08052	14.7
135.11694	6.0
136.08800	0.8
137.09628	3.1
139.11150	4.7
143.08559	2.3
145.10117	5.0
147.08003	1.7
147.11682	9.2
148.08826	1.2
149.09616	9.9
149.13251	19.9
151.11180	100.0
152.11534	2.5
153.09126	2.0
156.12607	0.8
158.10922	2.5
163.11201	1.7
163.14825	8.7
165.12785	4.5
167.14342	1.9
173.13281	12.7
182.02057	0.8
184.76668	1.0
191.14316	44.7
192.14621	2.0
209.05952	1.1
209.11810	2.5
209.15346	11.7
210.07738	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03944	2.8
54.09399	0.7
55.01870	4.2
55.05510	6.9
56.05053	0.9
57.03441	4.1
57.07068	1.0
57.42391	0.7
66.33275	0.7
67.05505	6.3
69.03423	2.8
69.07072	17.8
69.44362	3.2
69.44772	1.8
71.01361	0.9
71.04992	9.5
73.06551	1.2
79.05502	8.2
80.05019	43.0
81.03429	3.8
81.07063	7.5
83.04980	5.1
83.08582	0.9
84.04505	16.4
85.02908	28.2
85.06540	2.1
86.06070	32.2
87.04453	1.0
91.05470	8.6
93.07046	21.5
94.06548	1.2
95.01355	2.2
95.04961	5.9
95.08612	11.2
96.04514	0.9
97.02863	2.2
97.06528	5.9
97.10176	0.8
98.22578	1.3
99.04460	3.6
102.05539	11.6
103.05470	1.0
105.07030	7.1
106.06561	9.1
107.04961	1.4
107.08594	17.3
108.08954	0.9
109.06505	4.5
109.10160	4.1
111.04451	1.0
111.08082	3.8
112.03937	1.3
113.02362	0.9
117.07018	2.4
117.69604	0.8
118.06556	1.0
119.08553	5.0
120.08112	8.2
121.06517	11.4
121.10157	14.6
123.08070	2.8
123.11718	1.9
127.11221	1.6
130.05005	100.0
131.05350	2.3
131.08562	7.1
133.10124	9.2
135.08049	9.6
135.11694	6.1
136.07578	2.1
137.09627	1.2
138.10313	1.5
139.11194	3.9
143.08592	0.9
145.10133	6.7
146.06026	0.9
147.11691	24.9
149.07108	1.8
149.09612	9.1
149.13260	10.0
150.05489	2.9
151.11151	3.0
158.11047	1.5
161.09608	5.1
163.11182	9.7
163.14783	2.9
164.07050	4.2
165.12735	1.1
167.14334	1.2
173.13268	9.5
178.69534	0.8
191.08246	1.8
191.10716	1.5
191.14302	32.2
192.06398	1.8
209.09235	3.0
209.11700	3.7
209.15237	4.0
209.20955	2.3
210.07584	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.71909	0.9
51.97468	0.9
53.03948	4.0
55.01875	3.0
55.05241	1.4
55.05508	26.3
56.05006	1.2
57.03433	3.7
57.07082	1.3
59.05008	2.7
65.03938	1.9
67.05502	9.9
69.03426	8.8
69.07079	6.1
69.59224	2.1
69.59612	2.1
71.05001	11.8
73.26820	0.8
75.40045	0.9
79.05486	9.0
80.05013	62.9
81.03396	1.4
81.07050	12.7
82.06612	1.1
83.04978	36.8
83.08613	10.5
84.04504	17.8
84.05293	1.3
85.02898	48.0
85.06537	2.3
86.06065	33.8
87.04458	1.9
91.05473	10.6
93.07043	19.5
94.06573	1.6
95.01340	3.4
95.04963	65.4
95.08598	7.3
97.02854	1.3
97.06519	8.1
97.10159	2.2
99.04469	12.5
99.08105	2.2
102.05535	12.4
105.07029	15.2
106.06546	10.1
107.04970	1.9
107.08588	28.4
108.08115	1.0
109.06509	19.4
109.10155	12.0
111.04478	1.4
111.08065	6.3
112.04017	1.6
113.02377	1.0
117.07030	3.9
118.06520	2.2
119.08590	7.0
120.08105	8.5
121.06494	4.1
121.10137	17.2
121.11006	1.0
122.06020	1.0
123.08086	4.2
123.11674	4.7
125.09616	6.2
127.07549	3.0
129.07008	2.8
130.04996	100.0
131.05374	2.0
131.08560	13.9
131.09485	1.1
133.10124	12.2
135.04413	1.3
135.08067	7.0
135.11673	8.7
136.07585	4.1
137.09598	1.2
138.09134	1.2
143.08571	1.1
145.10139	6.3
147.08076	2.0
147.11710	2.7
149.06015	1.1
149.07085	1.7
149.09602	4.9
149.13263	6.9
150.05528	3.3
151.11176	12.7
153.07155	1.4
153.09113	17.9
158.10866	1.5
161.13278	3.6
163.07669	1.3
163.11160	4.1
163.14819	8.3
164.07074	3.1
166.08699	6.3
167.14296	21.9
173.09619	1.9
173.13258	12.3
181.06444	2.4
182.08206	1.1
191.08266	1.5
191.10687	4.0
191.14290	12.2
192.06595	2.9
199.42972	0.9
209.06009	2.4
209.09387	4.7
209.11617	5.1
209.15382	22.4
210.07602	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	209.1536
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03941	1.4
55.01865	1.6
55.05505	4.9
57.03428	1.2
57.07074	2.6
58.42373	0.6
59.04990	1.2
65.03947	1.1
67.05499	6.8
69.03431	12.6
69.07072	6.2
69.93431	1.7
71.04986	1.7
72.09184	0.4
79.05493	5.8
80.05017	22.9
81.03421	12.2
81.07056	12.5
83.04983	7.0
83.08627	1.7
84.04506	7.3
85.02902	16.5
86.06069	16.1
91.05483	4.8
93.07043	8.2
95.01331	1.4
95.04966	10.7
95.08607	11.5
96.04531	0.6
97.02883	2.3
97.06522	2.5
99.04451	0.9
99.08109	1.2
102.05543	5.8
105.07031	6.9
106.06558	4.6
107.04954	1.5
107.08595	15.0
109.06515	14.7
109.10150	3.4
111.04436	1.5
111.08065	1.3
112.03982	0.6
117.07048	1.8
118.06513	0.5
119.08597	7.2
120.08118	4.2
121.06499	2.2
121.07670	0.5
121.10142	15.8
122.07280	0.6
123.08071	12.0
123.11704	7.5
125.06017	0.7
125.09573	0.6
129.07039	0.7
130.04999	49.2
131.05437	0.8
131.08562	1.5
133.07584	0.5
133.10141	1.4
135.08052	2.3
135.11681	2.5
136.07539	1.3
137.09630	4.0
137.13268	1.9
145.10124	2.2
147.09200	0.7
147.11664	4.1
149.07095	0.6
149.09608	11.0
149.13257	7.4
150.05492	1.5
151.11183	5.2
154.74384	0.6
158.10904	0.8
163.11169	3.3
163.14818	1.4
164.07112	1.3
164.38106	0.5
165.12750	100.0
166.13068	3.0
167.14290	1.0
173.13234	1.4
181.06433	1.1
191.08316	1.2
191.10664	0.7
191.14377	2.7
192.06558	1.9
194.07242	0.9
209.05966	1.9
209.09386	2.8
209.11760	2.9
209.15361	32.8
210.07663	3.3
210.15697	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.9
55.05508	1.2
56.05848	0.3
57.03433	4.3
61.15263	0.3
63.99345	0.3
64.73660	0.3
65.03948	0.3
67.05502	0.9
68.05033	0.4
69.03416	0.4
69.07067	0.4
69.30511	0.9
69.30927	1.1
70.53310	0.3
70.80669	0.3
71.01363	2.7
71.05002	0.4
79.05486	1.1
80.05014	100.0
81.03428	0.4
81.05348	2.1
81.07072	0.6
82.06589	0.8
82.07387	0.4
83.04972	0.8
83.08607	0.4
84.04501	0.8
84.05309	0.5
84.08942	0.4
85.02901	67.5
85.86050	0.3
86.03231	1.1
86.06055	0.8
87.04463	1.0
87.06410	0.7
89.02393	0.4
91.05488	1.1
92.04989	0.4
93.05752	0.7
93.07058	0.7
94.06572	1.2
94.07379	0.3
95.01353	0.6
95.04958	0.7
95.08598	0.5
96.04507	1.9
98.06074	0.7
99.04488	0.3
103.03950	1.3
105.05772	0.7
105.06988	0.3
106.06560	7.1
106.07282	0.3
108.04472	0.7
108.08122	2.2
108.08834	0.6
109.10166	0.3
110.06046	0.4
113.02357	1.5
118.06538	7.1
120.08121	1.4
121.08467	0.4
121.10140	0.3
122.06022	0.7
122.10479	0.8
126.56921	0.3
130.04958	1.6
131.03391	4.7
131.05321	1.5
134.06036	0.9
136.07570	7.5
136.08528	0.6
138.05510	1.5
141.89476	0.3
146.05943	0.4
150.05496	3.1
151.11099	0.4
152.07047	0.5
152.11469	0.5
164.07056	7.4
165.07484	0.4
168.14665	0.9
180.06572	1.3
182.08130	2.0
192.06557	1.4
210.07607	42.7
211.07880	1.6
222.16783	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31477	0.3
53.03949	2.6
55.01875	0.8
55.05509	1.0
56.05849	0.4
57.03438	3.9
67.05508	0.8
69.03429	0.5
69.08438	2.3
71.01367	2.2
71.04944	0.3
79.05480	1.3
80.05016	100.0
81.03407	0.6
81.04934	0.3
81.05343	2.0
81.07060	0.9
82.06591	0.8
82.07397	0.4
83.04979	0.8
83.08616	0.6
84.04492	0.3
84.05330	0.6
85.02904	65.5
86.03265	0.9
86.06055	0.7
87.04461	0.9
87.06366	0.3
91.05485	0.9
91.79501	0.3
92.05022	0.5
93.05772	0.7
93.07034	0.7
94.06565	1.0
95.01347	0.8
95.04970	0.6
96.04501	1.5
97.02930	0.4
98.06072	0.5
102.05576	0.4
103.03944	1.3
106.06554	7.8
106.07258	0.4
107.08573	0.6
108.08110	2.1
108.08834	0.4
113.02387	1.0
117.18002	0.3
118.06532	0.6
120.08104	1.8
120.08801	0.3
122.06030	0.7
122.10524	0.4
130.04999	1.2
131.03413	4.7
131.05377	1.5
136.07576	7.3
138.05482	1.1
146.06029	0.4
146.10454	0.3
150.05515	2.9
164.07063	5.5
168.14684	0.5
170.66599	0.3
182.08138	3.0
192.06589	1.0
192.14645	0.3
210.07613	43.5
210.11813	1.2
211.07863	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.0761
Annotation	Penidilamine
Peak:m/z	Relative Intensity
53.03952	2.9
57.03438	4.2
60.37706	0.3
62.27207	0.3
70.28922	1.2
71.01348	2.8
79.05497	0.8
80.05016	100.0
81.05367	0.9
82.06559	0.5
83.21346	0.3
85.02903	70.3
86.03240	1.2
87.04475	0.8
89.02372	0.4
91.05463	0.9
92.05014	0.5
93.05785	0.8
94.06573	1.0
95.01296	0.8
96.04488	1.1
98.06076	0.5
103.03945	1.1
106.06548	8.3
108.08099	2.1
113.02392	0.9
118.06560	0.6
120.04434	0.4
120.08092	1.5
122.06030	1.3
131.03400	5.4
136.07576	8.8
138.05492	1.3
141.94043	0.4
150.05530	3.0
164.07062	5.9
165.07298	0.4
182.08154	3.3
192.06529	0.9
210.07608	47.2
211.07988	1.0
211.49234	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.0761
Annotation	Penidilamine
Peak:m/z	Relative Intensity
53.03941	2.9
55.01854	0.9
55.05507	1.1
57.03435	4.0
67.05504	1.0
68.05833	0.5
69.03454	0.6
69.07055	0.7
70.00188	1.4
71.01357	2.3
79.05500	1.3
80.05016	100.0
81.05346	2.3
81.07063	0.6
82.06585	0.8
83.05000	1.1
84.04466	0.6
85.02905	66.1
86.03237	1.2
86.06071	1.6
86.09700	1.0
87.04462	0.8
87.06396	0.7
91.05504	1.0
93.05791	1.0
93.07051	1.0
94.06566	1.5
95.04958	1.4
96.04495	2.1
96.05336	0.6
98.06042	0.9
102.03274	0.6
102.05554	0.7
103.03934	1.4
105.05788	1.0
106.06548	7.8
107.08547	0.8
108.08128	2.8
108.08797	0.8
109.06501	0.7
110.06835	1.2
113.02339	0.7
118.06551	7.6
120.08104	1.8
121.10133	0.6
122.06026	1.1
122.10433	0.9
123.11888	0.6
125.09615	0.8
130.04985	3.3
131.03397	4.8
131.05365	1.9
134.06047	1.0
136.07562	7.6
138.05493	0.9
146.06006	0.8
150.05486	3.5
164.07080	7.1
166.08675	1.9
180.06540	1.5
182.08098	2.8
189.71266	0.6
192.06569	2.1
210.07616	45.8
210.15656	1.1
211.07791	1.9
230.68878	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.0761
Annotation	Penidilamine
Peak:m/z	Relative Intensity
50.73968	0.2
53.03949	2.3
55.01869	0.6
55.05514	1.3
57.03439	4.5
65.03916	0.3
67.05502	1.1
68.05026	0.4
69.07065	0.6
70.03761	0.2
71.01353	2.5
71.04998	0.3
73.48906	0.3
79.05490	1.0
80.05018	100.0
81.03416	0.7
81.05344	1.9
81.07045	0.8
82.06575	0.6
82.07379	0.4
83.04969	1.0
83.08598	0.7
84.04519	0.5
84.08116	0.2
85.02905	68.6
85.06516	0.4
86.03248	1.3
86.06055	0.8
87.04457	0.9
87.06364	0.5
91.05483	1.2
92.05035	0.5
93.05785	0.7
93.07042	1.0
93.88214	0.2
94.06584	1.4
94.07378	0.4
95.01338	0.8
95.04989	1.4
95.08643	0.6
95.31876	0.2
96.04517	2.0
96.05301	0.8
96.08892	0.2
97.06507	0.4
98.06082	0.4
98.06853	0.2
99.04491	0.5
102.05523	0.3
103.03971	1.3
105.07038	0.7
106.06554	8.4
107.04983	0.3
107.08589	0.4
108.08121	2.3
108.08865	0.6
109.05262	0.6
109.06512	0.5
109.10157	0.3
110.06051	0.6
110.06837	0.4
110.10527	0.3
111.04426	0.4
113.02382	1.4
117.05738	0.3
118.06526	0.9
119.08543	0.3
120.04469	0.5
120.08119	1.7
122.06008	0.5
122.10509	0.5
125.06009	0.4
125.09602	0.4
130.04996	2.3
131.03418	5.1
131.05336	2.3
136.07573	7.6
136.11998	0.3
138.05482	1.3
138.09085	0.3
146.06024	0.4
146.10468	0.3
150.05501	3.8
150.09120	0.6
154.09489	0.4
158.02237	0.3
164.07069	5.4
165.07103	0.3
169.10074	0.2
174.13573	0.5
178.08669	1.0
180.86636	0.2
182.06743	0.3
182.08138	2.5
182.15332	0.6
192.06544	0.7
192.10313	0.4
192.14642	0.8
210.07623	45.3
210.11156	1.3
210.15654	1.4
211.07835	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.0762
Annotation	2-Oxo-N-acetyldopamine
Peak:m/z	Relative Intensity
53.03948	4.8
55.01875	1.8
55.05518	5.4
56.05019	1.8
57.03442	4.1
59.04991	1.7
65.03925	1.8
67.01866	0.9
67.05500	3.0
68.05037	2.0
69.03423	2.3
69.07052	0.9
70.36835	1.8
71.01353	1.6
71.04997	12.0
79.05498	4.0
80.05021	100.0
81.03413	1.0
81.05340	3.2
81.07043	3.1
82.06580	1.1
83.04983	3.0
83.06926	0.7
84.04506	6.0
85.02910	73.9
86.03221	2.4
86.06050	3.1
87.04465	1.7
87.06444	1.2
91.05472	3.5
93.05780	2.8
93.07063	0.8
93.51067	0.7
94.06568	5.9
95.01316	1.1
95.04960	2.8
95.08578	1.0
96.04496	2.8
97.06520	1.4
98.06026	2.2
99.04466	3.9
103.03969	1.0
104.04990	4.2
105.07014	1.5
106.06565	10.5
107.04954	1.1
108.04472	2.0
108.08103	3.3
109.05226	0.8
109.06503	2.1
109.10171	0.9
110.06035	3.5
110.06777	1.0
112.03989	1.3
112.05064	2.4
113.02381	1.5
117.07047	0.8
118.06564	5.0
119.08617	0.9
120.04498	1.2
120.08108	2.5
120.08913	0.9
121.05244	1.1
121.08413	1.0
122.06051	7.3
122.10486	1.0
124.03949	1.4
124.07589	1.1
126.05530	4.5
127.03903	3.8
130.05037	5.0
131.03427	5.6
131.05368	4.5
132.04425	2.6
134.06027	1.4
136.03941	1.5
136.07574	11.2
136.08521	0.9
138.05455	4.0
145.96719	0.8
146.05972	1.2
150.05490	9.5
150.09993	0.7
154.04887	1.0
164.07079	25.2
164.10721	1.8
168.06580	46.9
178.04939	1.5
181.98703	0.9
182.08192	6.3
182.11674	0.9
192.06523	6.8
192.10223	3.3
193.01974	1.1
196.08688	0.8
210.07625	49.8
210.11310	4.6
211.07805	2.3
211.11070	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.9
57.03443	3.8
65.50946	0.3
65.95765	0.4
71.01352	2.3
71.19585	0.4
79.05497	1.0
80.05015	100.0
81.05350	1.6
82.06572	0.7
84.04481	0.3
85.02903	66.5
86.03253	0.9
87.04459	0.9
89.02392	0.5
89.11577	0.4
91.05484	0.8
92.05028	0.5
93.05769	0.8
94.06583	1.4
95.01339	0.6
96.04518	1.0
97.00460	0.3
98.06064	0.4
103.03944	1.1
106.06556	8.4
108.08113	2.8
109.05241	0.5
112.10598	0.4
113.02370	1.3
118.06545	0.9
120.04439	0.8
120.08090	1.2
122.06047	0.4
131.03415	5.0
136.07570	8.0
138.05504	1.2
149.74983	0.4
150.05481	3.1
164.05801	0.6
164.07062	6.3
164.10692	2.3
182.08139	2.5
192.06548	0.9
210.07605	42.8
211.07918	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0577
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23923	2.8
51.47820	3.0
51.88666	2.8
53.75043	3.0
55.01887	4.1
55.05506	4.5
57.59920	3.3
58.91892	3.0
69.03432	8.9
69.07085	3.4
69.25883	9.3
69.26293	10.5
71.05015	4.0
71.71197	3.0
72.08136	4.7
73.00536	3.0
75.87727	3.7
79.05495	7.7
80.05029	6.0
81.07059	8.8
83.01311	3.9
83.04971	5.0
84.04499	4.7
85.02911	4.4
87.04474	4.8
91.05486	5.0
94.06615	3.2
95.05013	5.5
95.06091	5.8
95.08592	5.1
96.04513	2.9
99.04459	6.2
101.06008	5.1
105.03419	5.5
105.07016	4.9
106.06535	5.4
108.04478	4.6
109.06555	4.2
109.10160	3.6
111.03196	3.8
111.04488	3.8
112.03982	5.7
113.07108	5.2
119.01924	6.3
119.08572	3.8
120.95402	3.4
121.06457	3.9
123.08011	4.1
124.07600	10.9
126.05526	25.8
134.06003	5.6
137.05983	9.7
138.05481	20.6
138.09177	5.4
145.96710	3.7
149.05800	19.6
152.07083	7.3
163.97690	6.0
165.05458	5.5
166.08667	24.7
169.03484	5.4
187.04546	10.3
193.04829	9.5
194.08147	26.7
205.98814	11.1
211.05792	100.0
211.11073	4.2
211.14456	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	211.0965
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
51.02381	2.6
53.03951	15.4
55.01643	2.4
55.01874	33.1
55.05513	30.1
56.96547	5.6
57.03431	13.0
57.07066	4.5
61.02907	8.0
62.84452	2.2
65.03935	8.8
66.78476	2.3
67.05196	3.2
67.05508	52.1
68.99805	4.7
69.03432	100.0
69.03812	5.2
69.07053	9.9
69.59323	10.7
70.03766	2.5
70.06258	3.5
70.06596	39.8
71.01334	9.9
71.04984	18.9
73.02890	5.4
74.94998	2.2
76.71982	2.6
79.05074	4.4
79.05494	67.5
81.03418	30.0
81.07055	49.9
83.04496	3.0
83.04981	44.3
84.08170	2.5
85.02435	2.5
85.02913	30.7
85.06549	12.6
86.06998	2.4
91.05482	74.1
93.06476	4.5
93.07042	62.2
95.01304	5.2
95.04966	53.7
95.08617	31.9
97.02891	34.5
97.06525	30.1
98.97585	7.0
99.04433	7.6
101.02386	2.7
103.03979	2.6
103.05482	11.6
105.04492	4.8
105.07025	41.4
107.04958	39.4
107.08605	16.2
109.02857	6.5
109.06525	48.6
109.10141	6.9
111.04436	30.0
111.08070	9.7
112.07539	4.2
113.02362	3.7
113.06001	5.8
115.03925	18.4
115.05421	5.7
116.98598	3.1
117.07031	22.0
119.04914	8.9
119.08582	37.7
121.06506	70.6
123.04452	21.6
123.08062	34.9
125.05956	11.1
127.03892	7.3
127.07502	4.7
128.06195	4.2
129.05507	4.4
129.07016	12.8
131.04858	3.3
132.05722	4.2
133.06465	21.3
135.04424	6.7
135.08054	27.2
136.72615	2.6
137.05992	26.3
137.09619	13.4
139.07507	10.7
143.03517	2.1
143.06938	3.0
143.39473	2.2
145.06461	6.6
147.04366	3.0
147.08046	44.9
149.04880	4.0
149.05978	45.1
151.07515	25.2
152.04117	7.3
153.05504	4.6
153.09106	3.8
158.06572	3.7
160.05254	2.8
161.04617	14.6
163.07552	22.3
165.05431	4.1
165.09094	28.9
167.07021	5.4
171.23508	2.1
175.07578	16.9
176.07690	2.8
177.00574	2.9
181.08617	20.7
188.07704	3.5
193.08603	34.3
211.09630	86.4
212.07642	4.2
214.72258	2.3
230.08824	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03949	6.3
55.01868	6.3
55.05510	43.0
56.05816	1.5
57.03438	11.8
57.07056	2.0
65.03938	3.2
67.05503	38.5
69.03434	10.1
69.07066	12.9
70.12182	4.2
71.04990	7.7
79.05490	37.3
80.05013	8.0
81.03418	100.0
81.05334	7.2
81.07056	42.0
81.46140	1.2
82.03732	1.2
82.06595	1.6
82.07369	1.2
83.04977	52.1
83.08617	34.9
84.05311	1.5
85.02911	9.3
85.06536	2.2
86.03236	3.6
91.04897	2.7
91.05477	57.2
93.07045	23.2
95.04362	1.9
95.04969	37.4
95.08608	18.9
97.02892	4.9
97.06525	6.4
97.10161	7.9
98.23286	1.2
99.08108	2.0
102.12840	6.2
105.03397	2.7
105.07030	25.0
105.07683	2.2
107.04941	6.8
107.08584	9.4
109.06523	7.6
109.10149	4.1
110.06030	1.2
111.04413	2.8
111.08086	12.6
115.05452	3.1
117.07025	2.2
118.98269	1.1
119.08576	23.8
121.06536	2.3
121.10149	9.5
123.08049	5.1
123.11667	2.2
125.09657	2.0
129.07002	11.5
131.08563	12.7
132.08940	1.5
133.06468	2.5
133.10141	12.5
137.09599	3.3
139.95018	1.1
141.06947	2.2
142.07808	3.5
145.10150	2.0
147.08043	3.6
147.11682	14.7
149.09607	8.9
151.11153	1.3
153.06973	2.4
155.08551	4.6
156.05492	1.4
157.10123	19.3
165.07007	3.8
165.12810	2.9
169.10114	2.9
175.11179	14.8
179.08943	1.5
181.10139	2.5
183.08136	3.5
183.11765	1.9
193.12239	34.2
196.12476	1.4
205.98706	1.7
211.04002	1.4
211.07678	15.9
211.11209	3.9
211.13281	13.5
211.15160	6.0
227.56131	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	1S-Acetoxy-3-myodesertene
Peak:m/z	Relative Intensity
50.80593	1.2
53.03925	2.1
54.56634	1.3
55.01865	2.1
55.05514	7.9
57.03422	1.9
57.07069	2.3
67.05507	15.4
68.99812	8.2
69.03430	2.2
69.07068	14.6
70.07900	4.0
71.04980	3.1
71.08614	1.7
73.06559	3.6
75.04485	13.5
79.05492	5.2
80.05017	4.4
81.03423	13.0
81.05340	3.9
81.07059	33.4
83.04985	7.2
83.08614	3.7
85.02900	6.3
85.06546	11.1
86.03261	2.1
87.52129	1.3
91.05486	6.5
93.07044	9.5
95.04972	81.3
95.07992	1.7
95.08602	30.2
96.05278	1.5
97.06508	2.5
99.04438	3.5
103.05434	1.4
105.07020	5.8
105.23973	1.4
107.08581	8.2
109.06538	6.6
109.07179	1.3
109.10154	21.4
110.54096	1.4
111.04404	1.8
111.08064	2.3
119.08555	6.8
121.06504	5.3
121.10201	1.4
123.04429	2.7
123.08102	2.4
123.11711	100.0
124.12093	2.4
127.07571	1.5
129.06985	2.6
131.08623	2.6
133.10143	11.4
135.08025	1.4
135.11700	2.7
137.09615	36.1
139.07541	17.0
147.11707	2.2
151.11185	16.7
155.08551	4.0
157.10124	2.7
161.09647	2.9
165.06914	2.5
167.08565	1.3
169.10110	3.2
169.12271	3.5
175.11169	2.2
175.69186	1.4
179.10678	49.2
180.10997	1.7
183.08051	3.2
183.13715	1.3
184.05186	1.2
193.12289	3.1
196.12569	1.4
211.07620	12.2
211.11223	2.8
211.13098	3.3
211.14847	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	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
52.22740	0.6
53.03948	0.9
55.01870	0.8
55.05510	7.1
57.03428	2.4
57.07084	3.4
59.05002	51.3
62.29502	0.7
65.03931	1.0
67.05506	17.0
69.03426	3.2
69.07067	5.0
70.67328	1.5
71.04990	2.2
73.06586	0.8
79.05492	5.7
80.05016	2.5
81.03406	0.8
81.05367	1.3
81.07059	33.5
83.04981	13.2
83.08620	2.2
85.02906	2.5
85.06542	1.5
86.03241	1.3
90.32153	0.7
91.05474	6.0
93.07038	9.7
95.04969	2.6
95.08603	6.7
97.06488	1.1
98.22710	0.8
99.08087	1.2
101.05991	1.1
105.07032	11.4
107.08593	19.0
109.06519	21.1
109.10156	100.0
110.10498	1.6
111.08083	36.2
112.08442	0.8
113.06019	2.1
119.08591	3.6
120.02652	0.7
121.10146	6.5
123.08096	3.3
123.11707	32.7
125.09634	3.8
126.05530	0.9
127.07558	0.7
130.04961	0.8
133.06564	0.9
133.10124	11.2
135.08047	4.6
137.05963	1.1
137.13246	3.7
138.05452	0.9
139.07552	2.4
147.07973	0.9
147.11710	6.6
149.13339	0.8
151.07527	2.2
151.11176	37.3
152.11507	1.0
153.09102	5.8
155.08646	0.7
157.10069	1.0
165.06963	1.2
165.12761	9.6
166.08646	1.6
166.12213	0.9
169.12274	2.2
175.11188	4.5
183.08163	0.9
193.12254	11.0
193.96095	0.7
194.08122	3.1
194.12706	0.6
210.33653	0.7
211.07750	4.5
211.13293	69.8
212.13618	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
53.03948	9.3
53.54548	1.8
55.01875	16.3
55.05513	54.6
57.03445	12.3
57.07067	3.9
59.05004	3.0
59.67420	1.7
65.03947	5.3
65.05009	1.9
67.05508	60.3
69.03429	11.7
69.07078	18.3
71.04992	14.2
72.36565	1.7
79.05492	57.0
80.05019	14.8
80.05840	2.0
81.03419	100.0
81.05350	12.7
81.07059	59.0
82.03764	2.4
83.04984	62.5
83.08626	32.4
85.02911	14.3
85.06543	7.5
86.03219	5.6
87.04453	7.6
91.05482	76.6
93.07043	38.4
93.46871	1.8
94.17690	2.0
95.04968	38.3
95.08612	75.3
96.38552	2.3
96.39156	2.1
97.02889	5.9
97.06531	44.3
97.10170	7.6
98.78728	1.8
99.04472	4.4
105.07032	59.4
107.04938	7.5
107.08598	29.1
109.06518	14.6
109.10128	16.2
111.04424	3.8
111.08088	13.1
113.06008	1.9
117.07006	3.5
119.08582	40.2
121.10146	25.9
123.08077	5.8
123.11689	5.3
125.09637	4.8
129.07001	20.9
130.04965	2.1
131.08563	38.2
132.05507	2.6
133.10136	57.5
135.11702	13.9
137.09616	7.5
141.06973	2.9
142.07761	5.3
145.10168	6.2
147.08049	7.4
147.11676	27.3
149.09651	15.9
151.11180	15.8
155.08549	3.4
157.10109	24.8
158.10382	2.0
162.83720	1.8
163.11180	8.3
165.07228	3.3
165.09114	1.8
165.12866	3.9
169.10060	3.3
175.11194	54.3
181.12216	3.8
183.04489	1.8
183.08064	2.9
184.05214	2.1
193.10388	2.6
193.12241	47.5
193.15913	2.5
194.08150	3.6
211.07828	16.0
211.11243	4.4
211.13213	31.2
211.14833	4.0
211.16629	2.9
231.89253	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	211.1329
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
50.02749	1.1
50.70668	1.2
53.03944	4.5
53.96026	1.0
55.01878	8.5
55.05511	42.9
57.03440	14.6
57.07072	2.8
59.05005	1.9
65.03943	1.4
67.05506	36.5
69.03432	11.9
69.07068	15.7
71.04988	10.6
73.06554	1.8
79.05488	33.2
80.05025	7.8
80.05799	1.5
81.03418	100.0
81.05350	4.3
81.06673	0.8
81.07055	43.0
83.04983	52.8
83.08619	30.5
85.02917	7.0
85.06545	5.6
86.03286	2.0
87.04461	1.2
91.05479	35.5
93.07041	21.5
95.04967	34.6
95.08604	22.5
97.02906	4.7
97.06544	5.5
97.10158	8.0
99.04438	2.3
99.08089	4.4
105.07031	28.1
107.04968	9.1
107.08593	15.0
108.04477	1.4
109.06508	8.0
109.10158	10.5
111.04472	1.4
111.08093	13.0
112.60424	1.4
113.06005	2.8
115.05476	2.2
117.07024	2.6
119.08575	22.9
120.08104	1.3
121.06527	2.3
121.10144	10.8
123.08095	7.9
123.11678	6.2
125.09637	4.8
128.06235	1.4
129.07007	14.4
131.08546	14.9
132.05418	2.5
133.06514	3.2
133.10136	14.9
135.11690	7.3
137.09605	6.3
137.13272	1.5
139.11189	3.5
141.06998	3.4
142.07742	4.0
143.08525	1.6
145.10161	2.4
147.08049	4.2
147.11697	16.4
149.09619	10.4
149.13304	1.3
151.11162	3.1
153.07016	1.5
153.09142	1.7
154.07797	1.6
155.08510	5.6
157.10115	17.4
165.06969	1.9
165.12770	4.3
167.08533	1.7
167.10698	1.9
168.05656	1.2
168.09312	1.8
169.10098	6.1
175.11194	16.2
175.14833	2.4
181.10123	2.0
183.08116	2.2
183.11720	4.2
193.10469	1.7
193.12221	32.5
194.08208	1.4
196.08810	1.6
196.12518	2.6
211.07567	10.6
211.11180	3.6
211.13271	11.1
211.14902	6.3
211.17012	3.6
212.04802	1.6
228.77544	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
50.94455	1.0
53.03946	3.9
55.01868	6.2
55.05513	41.8
57.03442	10.5
59.05008	1.9
65.03936	2.0
67.05505	31.7
69.03435	10.4
69.07067	8.9
69.31281	7.2
71.04991	4.5
78.00462	0.9
79.05495	27.8
80.05003	2.5
81.03420	100.0
81.07057	40.5
83.04983	49.7
83.08620	30.8
85.02905	2.6
85.06530	3.2
86.03235	1.1
91.05485	29.8
93.07053	21.4
94.07384	0.9
95.04969	30.9
95.08602	11.9
97.02898	3.1
97.06539	5.7
97.10168	8.8
99.08077	2.3
100.17607	0.9
105.07034	26.7
107.04976	6.9
107.08593	8.3
109.06545	5.2
109.10152	4.8
111.04462	2.5
111.08087	11.4
115.05444	1.8
117.06977	2.1
119.08572	19.7
119.09354	1.9
121.06516	2.4
121.10169	6.9
123.08097	3.7
123.11749	1.9
125.09623	4.4
128.06267	1.2
129.07013	13.5
131.08572	12.4
133.06511	2.4
133.10130	10.0
137.09656	2.6
139.11192	1.7
142.07791	4.4
145.10201	1.8
147.08080	4.0
147.11681	14.4
149.09605	7.3
155.08498	1.9
157.10136	15.9
165.12793	3.2
167.10693	1.2
169.10127	2.0
175.11186	13.5
181.10109	1.9
193.12238	27.1
194.12616	1.4
211.07527	5.1
211.11346	1.6
211.13281	11.5
211.14977	1.8
211.16818	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03938	1.1
53.56802	0.7
55.01855	1.4
55.05510	19.5
56.40573	0.7
57.03429	6.4
57.07071	5.0
67.05501	35.0
69.03427	2.6
69.07066	16.0
69.73568	2.0
69.73949	1.4
70.44707	0.9
71.04991	6.6
71.08623	2.5
71.93154	0.8
77.03930	0.8
79.05485	8.7
80.05009	1.8
81.03428	3.8
81.05343	1.7
81.07053	30.3
83.04974	10.6
83.08615	12.2
85.02895	2.0
85.06547	7.9
91.05472	7.6
93.07043	21.8
95.04969	5.5
95.08604	55.6
96.08942	1.5
97.06523	9.3
97.10163	4.0
98.23208	0.9
99.08095	3.0
105.07026	13.3
107.07862	1.3
107.08590	30.4
109.06522	13.8
109.10151	100.0
110.10468	1.1
111.05295	0.9
111.08077	48.5
113.06017	2.5
113.09676	1.4
113.28696	0.7
115.07535	1.0
117.07011	1.1
119.08578	39.9
121.10139	27.1
122.07275	2.0
123.08063	46.2
123.11700	15.7
123.12565	1.1
125.09591	5.9
127.11177	3.8
131.08569	2.1
133.10124	39.7
135.11685	46.3
136.12073	1.1
137.09608	95.5
137.13248	4.3
138.10435	8.2
139.11201	4.6
145.10101	1.9
147.11705	7.6
149.09445	1.0
149.13254	14.1
151.11180	6.8
151.14824	9.3
163.11195	4.0
164.11969	1.0
165.12726	9.1
165.16391	2.7
173.13242	1.3
175.14819	50.0
176.15262	1.1
178.13567	2.0
183.47310	0.7
193.12247	0.9
193.15883	26.9
200.13609	0.8
211.07668	1.9
211.16905	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	211.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.8
54.55283	1.3
55.01881	3.1
55.05505	26.6
57.03434	9.3
57.07079	3.9
59.04988	3.0
67.05505	42.5
69.03430	4.5
69.07071	19.7
69.30034	10.4
71.04999	16.5
71.08652	2.8
71.49143	1.3
79.05477	14.1
79.05848	1.3
80.05014	5.3
81.03413	9.7
81.05348	3.7
81.07055	45.7
81.07529	2.8
83.04982	11.3
83.08624	17.1
84.04513	2.0
85.02887	3.7
85.06554	8.1
86.03265	1.8
86.06082	1.4
91.05464	11.5
93.07047	26.8
95.04979	10.1
95.08602	65.4
97.06519	13.5
97.10166	5.3
99.08071	4.0
105.07033	16.7
107.05025	1.5
107.08591	32.5
109.06526	14.7
109.10157	100.0
110.10531	2.2
111.08083	42.6
111.08855	2.2
113.06003	2.5
119.08582	45.8
119.17146	1.3
121.06532	2.2
121.10136	30.5
122.07281	2.2
123.08068	47.4
123.11713	21.4
125.09613	8.0
127.11202	4.1
129.07025	1.9
131.08548	3.4
132.05423	1.3
133.10127	43.2
135.08067	1.4
135.10667	3.4
135.11687	51.8
137.09613	99.1
137.13190	6.7
138.10437	10.1
139.11198	6.9
147.11708	9.5
149.09679	2.5
149.13257	15.7
151.11183	5.5
151.14815	9.3
155.10695	2.4
157.10149	2.0
163.11220	4.4
165.07159	2.5
165.12750	10.7
165.16397	3.2
169.10083	2.4
175.11340	1.7
175.14818	52.1
183.11670	1.8
193.12311	4.4
193.15863	25.7
194.16119	1.7
203.86523	1.6
211.07823	6.8
211.14948	2.2
211.16876	24.6
211.18736	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	212.0917
Annotation	Methyldopa anhydrous
Peak:m/z	Relative Intensity
53.03947	1.6
53.73426	0.8
55.01876	1.1
55.05515	7.6
56.05851	2.7
56.55169	0.7
59.12516	0.8
60.33175	0.7
60.69813	0.8
60.71729	1.0
66.03501	1.0
67.01876	2.7
67.04266	1.5
67.05517	1.2
68.05029	4.4
69.03432	10.8
69.07036	0.8
70.59391	1.5
70.59722	1.4
71.05001	1.8
72.08151	2.0
78.03468	1.1
79.05517	2.5
80.05014	3.9
81.03422	1.0
81.07059	2.0
82.06595	3.2
83.03729	1.1
83.04986	2.9
83.08625	1.6
84.04510	3.7
84.05327	2.9
85.05357	1.2
86.05730	0.8
87.04473	14.5
91.05481	4.9
93.07059	1.7
94.02917	6.6
94.06601	1.9
95.03715	1.6
95.04980	1.0
96.04490	4.1
96.08149	0.9
97.06532	1.2
98.06066	9.8
99.04452	1.9
105.07071	1.3
105.44337	0.8
106.06562	14.6
107.07368	1.3
107.08621	1.3
108.04490	7.3
108.08114	1.7
109.06528	1.2
110.06060	5.0
110.06818	1.6
110.09708	7.7
110.10429	1.5
111.03180	9.3
112.03975	20.2
114.71846	0.8
118.06551	1.2
119.04932	4.2
119.08603	0.8
120.08114	1.0
122.06058	1.2
122.09662	5.6
123.06828	3.1
124.03953	3.3
124.07596	3.7
126.05518	69.2
129.06973	0.9
134.06012	12.5
136.07567	1.9
138.05504	69.2
138.09129	10.8
144.87090	0.9
147.08038	1.0
148.07602	2.2
150.09187	1.7
151.06335	1.0
151.11243	0.9
152.07085	3.3
152.11555	1.2
154.12035	2.3
156.09975	0.9
161.04706	1.4
162.05511	4.4
166.08646	92.9
167.08954	3.1
168.14719	1.5
169.15041	1.5
170.15213	3.2
176.07060	1.1
177.09195	1.2
180.06583	1.8
184.09727	3.1
190.39799	0.9
194.08139	100.0
195.08441	2.7
212.09270	11.0
212.16357	2.8
213.05490	1.6
213.09303	1.4
213.12894	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0918
Annotation	CJ 14877
Peak:m/z	Relative Intensity
51.78572	0.4
55.01877	0.6
55.05518	1.6
65.03936	0.6
67.04243	1.2
67.05499	1.3
68.05013	0.9
69.03411	4.5
69.07057	0.5
70.06577	0.5
71.04979	0.6
71.29886	0.5
79.05497	2.0
80.05013	2.1
81.03410	1.5
81.07050	5.8
82.06596	2.5
82.07383	0.7
83.03730	0.6
83.04965	0.7
85.02892	0.7
87.04464	3.4
89.32452	0.4
91.05485	6.3
93.07072	0.7
94.02908	1.0
94.06574	2.1
95.03690	1.3
95.04980	0.9
95.07400	0.5
95.08590	1.5
96.04502	1.0
98.06063	3.4
99.04480	1.5
104.19831	0.6
106.06555	11.7
107.04988	0.7
108.04478	5.9
108.08162	0.5
109.10149	0.7
110.06047	3.6
111.03181	7.8
117.05762	0.9
118.06533	1.0
119.04937	5.8
119.06146	0.4
120.05765	0.9
121.10136	0.5
122.06051	0.9
123.06803	2.9
123.11690	3.4
124.07607	1.7
126.05513	41.7
127.03851	0.6
127.05849	1.3
130.04970	0.5
134.06020	13.9
136.07559	1.2
138.05496	66.4
138.09068	2.6
138.12791	1.1
139.05830	1.3
140.10670	1.4
148.07628	0.6
150.09143	0.9
151.06261	1.0
152.07150	0.7
157.06470	0.7
161.04744	0.9
162.05484	3.3
166.08633	50.9
166.12277	17.0
167.08836	1.4
176.07028	0.9
176.34917	0.5
178.23117	0.5
194.08124	100.0
194.11832	2.0
195.08414	3.0
212.09261	6.1
212.12830	2.3
213.05600	0.7
213.09119	1.5
217.07683	0.5
219.75777	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0918
Annotation	CJ 14877
Peak:m/z	Relative Intensity
53.03950	0.5
53.22481	0.3
55.01873	0.6
55.05515	1.7
56.30537	0.3
56.89931	0.4
57.07054	0.4
59.05001	1.3
62.11678	0.3
65.03941	0.9
67.04249	1.1
67.05505	1.6
68.05037	0.7
68.99797	0.5
69.03429	6.9
69.07072	0.9
70.06610	0.7
71.04998	0.8
71.28984	0.5
72.08156	0.3
79.05488	1.5
80.05027	3.1
81.03421	1.7
81.07061	5.6
82.06579	2.4
82.07366	0.4
83.04990	0.5
84.04485	0.5
85.02909	0.5
87.00809	0.6
87.04488	3.0
90.08364	0.3
91.05488	6.4
92.05009	0.8
93.07052	0.9
94.02924	1.1
94.06572	2.4
94.07356	0.3
95.03703	1.3
95.04979	0.7
95.08614	1.8
96.04494	1.1
97.06534	0.4
98.06046	2.4
99.04480	1.0
100.54386	0.3
101.89306	0.4
105.07015	0.6
106.06557	12.3
107.04963	0.9
108.04485	5.6
108.08115	0.6
108.08891	0.4
109.02881	0.8
109.06489	0.6
109.10174	1.3
110.06056	3.6
110.06808	0.6
110.10464	1.9
111.03181	7.6
111.04400	0.4
111.08121	0.7
112.08425	0.7
117.05746	1.0
117.07054	0.4
118.06553	1.5
119.04943	5.8
119.06025	1.1
120.05692	0.4
122.06046	0.8
123.06825	2.5
123.08035	0.6
123.11717	4.4
124.07610	2.0
124.12065	0.8
126.05518	40.5
127.03875	0.7
127.05879	0.6
128.06233	0.5
129.06990	0.7
130.04976	1.1
134.06015	13.8
136.07562	0.9
136.08490	0.4
138.05502	68.1
138.09099	2.2
138.12787	0.9
139.05809	1.2
140.10719	1.3
148.07590	1.0
150.09109	0.8
151.06277	0.9
152.07121	0.7
152.11505	0.8
157.10106	0.4
161.04732	1.3
162.05508	3.6
165.07010	0.8
166.08641	58.0
166.12270	13.3
167.08858	2.1
167.10518	0.5
167.12599	0.5
176.07056	1.0
177.07045	0.5
183.08101	0.5
194.08133	100.0
195.08412	3.1
212.09282	5.9
212.13449	2.1
213.05563	0.9
213.09088	1.9
213.12912	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1485
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
52.04045	2.5
53.03942	3.4
54.58126	2.6
55.01871	3.7
55.05513	27.6
57.03445	21.9
57.07081	5.4
65.03944	3.5
67.05503	78.3
69.07071	25.9
70.06578	2.4
70.24427	9.0
71.01353	11.0
71.04987	8.4
79.05495	69.6
81.03419	10.2
81.07057	38.3
83.04987	20.2
83.08624	8.4
85.06568	5.5
88.07632	9.9
91.05479	33.3
93.07049	81.0
93.07632	4.1
95.04964	7.5
95.08606	11.6
97.06525	29.3
97.10149	7.1
98.23298	3.5
99.08119	3.3
102.09130	3.8
105.07023	11.0
107.08598	45.7
109.10150	6.7
111.08086	7.4
117.07031	9.1
119.08577	23.6
121.06524	3.0
121.10163	19.5
125.09586	3.4
128.06198	4.5
129.06952	6.6
131.08569	3.7
133.10138	8.6
135.10661	5.8
135.11688	100.0
141.06938	3.4
142.07790	7.9
143.08551	12.5
145.06511	3.0
145.10106	26.9
151.94597	2.5
156.09354	4.1
157.10175	20.5
163.11179	13.1
165.56219	2.7
170.10933	4.1
171.11694	20.9
180.09332	4.1
181.12242	11.4
183.08118	3.2
185.13293	7.3
195.11719	5.4
199.84200	2.6
213.12965	16.2
213.16411	38.0
214.16678	2.7
214.21660	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	213.1484
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03955	5.9
55.01869	7.2
55.05511	26.1
57.03439	24.8
57.07060	5.8
58.22522	3.6
65.03950	3.1
67.05508	66.0
69.07070	30.1
71.01345	12.0
71.04988	11.1
71.28501	3.8
72.72243	3.1
79.05070	6.5
79.05494	72.6
79.05939	2.4
81.03422	13.7
81.07054	31.8
83.04980	18.9
83.08614	4.9
85.06539	7.9
88.07642	12.2
91.05485	30.8
92.95136	3.2
93.07045	79.4
95.04980	9.9
95.08591	12.5
97.06515	23.7
97.10168	7.2
98.99536	3.3
99.08082	3.6
103.31396	3.1
105.07045	26.8
107.07918	2.8
107.08593	48.9
109.10143	7.6
110.82271	3.2
117.06982	11.0
119.08576	24.5
121.06544	4.9
121.10144	23.0
123.99477	3.3
128.06206	8.4
129.06995	11.5
131.08575	3.7
133.10103	13.7
135.11694	100.0
140.74364	3.5
141.06981	4.3
142.07771	14.9
143.08556	26.4
145.10088	24.6
155.08528	5.7
156.09317	11.9
157.10144	37.1
158.63817	3.1
163.11200	11.7
165.07022	5.1
167.08469	5.4
169.10165	8.5
170.10895	7.9
171.11685	36.6
181.12225	16.4
183.11771	6.8
185.13243	8.8
195.11688	13.7
198.10419	7.0
213.12819	31.8
213.16394	71.5
213.18272	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	213.1486
Annotation	(-)-Helicascolide A
Peak:m/z	Relative Intensity
51.52948	0.9
53.03936	3.0
55.01872	16.0
55.05511	86.9
57.03429	1.7
57.07064	1.6
59.04990	3.0
60.84142	1.1
63.68922	1.1
65.03926	1.2
67.05504	32.5
68.48473	1.0
69.03439	9.4
69.07069	13.6
69.24892	7.9
71.04993	77.9
74.52471	1.1
79.05492	23.2
80.05850	1.0
81.03413	1.4
81.06593	2.2
81.07052	33.2
83.04982	6.3
83.08616	46.7
84.08970	1.4
85.06544	7.8
87.04465	12.7
91.05479	9.3
92.34088	1.1
93.07042	21.4
95.04956	2.1
95.08600	12.2
97.06528	100.0
97.10169	67.4
98.06847	2.3
98.10540	1.6
101.06023	1.6
101.09646	1.6
105.07014	4.3
107.08590	26.3
109.06503	1.8
109.10155	16.7
111.08067	4.3
113.06010	1.3
117.07006	4.5
119.08604	1.2
121.06492	2.6
121.10125	3.7
125.09624	39.9
126.10051	1.1
128.06223	2.0
131.08540	4.2
133.10150	5.2
135.08055	7.0
135.11700	7.1
141.06967	1.6
143.08556	1.6
147.11621	1.5
149.09584	2.1
149.13260	5.9
151.48712	1.0
153.09100	2.4
155.08531	1.2
157.06433	2.1
157.10083	2.9
159.11687	5.3
165.07053	1.4
167.08589	1.1
167.14304	1.2
171.11603	1.4
177.12733	7.2
180.09340	1.9
184.05252	1.3
185.09528	1.4
189.11221	7.2
195.08195	2.7
195.11942	2.4
195.13788	41.8
213.05481	3.1
213.09331	5.2
213.12854	6.2
213.14830	95.5
214.15152	3.2
217.63434	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.05530	3.2
57.07071	3.6
66.07236	0.6
67.05506	1.4
69.07076	8.9
71.28587	0.8
79.05496	6.4
81.07049	2.1
83.08620	4.2
86.54441	0.6
88.07642	0.9
91.05482	7.9
93.07048	6.4
95.04974	1.0
95.08607	2.4
98.69724	0.7
103.05474	2.2
105.07033	75.2
106.07371	1.3
107.08596	5.8
115.05427	1.7
117.07056	3.7
119.08586	58.2
120.08931	1.7
121.10135	11.0
128.06227	9.5
129.06288	0.6
129.07028	7.8
131.08591	2.9
133.10126	7.5
141.06934	3.5
142.06723	1.3
142.07785	18.4
143.08563	40.9
144.08929	0.8
145.10138	3.7
155.08572	4.0
155.16617	0.6
156.09348	18.7
157.10138	61.5
158.10730	2.9
159.11671	1.7
167.08592	0.7
168.09344	0.9
169.10117	5.6
170.10936	5.4
171.11702	50.0
172.12141	2.4
173.61472	0.6
180.09274	0.8
183.07951	0.7
183.11722	8.3
184.12523	3.4
185.13258	6.9
186.13477	0.7
195.11705	1.3
198.10417	1.0
198.14043	6.2
199.14810	1.8
211.14723	0.7
213.12830	5.1
213.16393	100.0
214.16777	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	213.1849
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
50.07583	1.1
50.89969	1.2
51.34167	1.4
53.03949	2.4
55.01874	2.7
55.05510	14.2
57.03434	1.8
57.07070	3.5
58.60939	1.1
59.05011	3.0
62.93112	1.3
65.03941	3.1
67.05506	41.0
69.03425	8.8
69.06684	1.4
69.07065	23.1
70.06577	1.6
70.10771	3.8
71.04992	41.9
73.06565	2.3
77.15244	1.4
79.05491	14.0
79.05920	1.7
81.03429	1.9
81.06582	2.8
81.07054	52.2
83.04980	4.3
83.08599	8.1
85.02903	1.4
85.06538	4.8
91.05481	65.6
92.05845	1.6
93.07044	20.6
95.04966	4.7
95.08604	24.4
97.02905	2.5
97.06510	4.1
97.10156	3.2
97.22594	1.1
99.04449	2.5
99.08086	5.5
103.05463	2.4
105.07030	5.6
106.23727	1.4
107.04982	7.8
107.08590	28.3
108.00908	1.2
109.02932	1.6
109.06465	1.7
109.10155	100.0
110.10487	2.7
111.08082	3.7
113.09650	1.9
117.06993	1.7
119.04945	57.5
119.08576	1.6
120.05700	4.3
121.02818	1.5
121.10133	30.6
123.11696	10.5
125.09642	5.9
125.13258	2.9
127.03878	2.3
127.11162	1.8
128.06210	6.2
129.07005	8.1
130.06500	1.3
131.08604	3.1
133.69995	1.3
135.08138	1.3
135.11673	18.6
137.13271	7.7
139.07614	1.7
139.11145	2.8
140.73094	1.3
141.06970	3.4
142.07784	6.8
143.04948	1.6
143.08542	3.8
145.10147	1.4
149.13239	3.9
150.09166	1.6
152.06216	12.7
153.12717	13.5
155.08528	3.2
156.09303	2.4
156.88199	1.3
157.06479	7.2
157.10133	10.3
165.07016	13.0
166.07755	3.8
167.07280	5.3
167.08569	22.2
168.08084	8.6
169.06493	3.7
170.07307	3.3
170.10876	3.6
171.04504	1.9
171.08081	3.0
171.11693	5.7
176.06178	2.0
177.07002	5.7
177.16373	28.0
180.09329	2.0
183.08060	2.3
183.11592	1.3
184.05185	4.9
185.05968	3.9
185.09567	13.8
185.13258	4.2
186.09152	5.6
195.08066	11.7
195.11734	4.1
195.13701	2.4
195.17444	26.2
196.07564	6.8
197.06021	1.5
198.06760	2.7
198.10413	2.5
201.28268	1.3
213.05524	12.7
213.09094	32.0
213.12794	18.3
213.16389	10.9
213.18512	12.0
214.06406	1.4
214.08772	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	214.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	4.2
53.03952	1.5
55.01880	10.8
55.05515	1.9
56.96568	2.7
57.03439	2.4
67.05487	3.2
68.05054	1.8
68.74834	1.2
69.03426	7.1
69.20839	1.2
69.31387	6.8
70.06589	3.9
71.01359	2.5
71.02437	1.1
71.04979	1.2
72.08138	1.2
72.93774	2.4
79.05505	3.1
80.05043	1.5
81.03419	3.8
83.01344	34.6
84.04517	3.3
85.02921	4.5
85.06538	1.7
86.06073	96.0
87.04469	9.0
89.00651	1.3
90.46147	1.3
90.94855	1.6
93.30193	1.2
94.06555	4.8
95.04992	7.3
95.08648	1.2
96.04480	1.8
97.02901	2.1
98.06068	11.5
98.23340	1.7
99.04478	1.5
101.02342	1.5
105.07050	1.9
109.06535	3.1
111.00810	100.0
112.01153	1.9
112.03994	5.5
113.06025	4.0
114.05533	2.6
115.03956	1.8
116.98572	1.6
122.06037	3.4
122.09636	1.8
123.08080	2.1
130.05025	2.3
132.95839	9.6
136.07591	2.0
137.06026	3.1
138.04372	1.2
140.03433	4.4
140.07063	10.0
150.05498	4.0
150.09151	9.3
150.96890	18.2
151.07536	6.9
155.04912	1.5
155.07039	16.9
164.07086	5.6
167.97166	1.5
168.06584	26.1
168.10216	14.4
170.11778	2.0
178.05008	11.4
182.08160	1.8
191.97174	6.4
196.06059	84.6
196.09761	4.2
197.06366	2.2
197.08072	2.6
209.98215	3.1
214.10803	5.4
214.14429	1.5
232.07350	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	214.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62640	0.7
53.03944	6.0
55.01865	1.6
55.05513	8.6
59.04984	1.8
60.96218	0.8
67.05501	1.6
68.05041	4.2
69.03418	5.4
69.29034	6.1
70.06578	1.8
71.04994	1.1
72.08147	7.0
79.05491	1.7
80.05015	9.6
81.03410	1.2
81.05788	1.2
81.07047	3.3
82.06590	2.0
82.64935	0.8
83.04968	1.6
85.06556	1.6
87.04471	9.9
91.05480	4.8
93.05787	3.2
93.07040	1.0
94.06567	6.1
95.04950	1.3
95.08595	3.1
96.04493	18.5
96.08131	1.2
96.93939	0.9
97.02886	4.3
98.06091	1.1
98.97589	1.3
101.06026	4.0
102.03165	0.8
103.94595	1.0
105.07012	1.7
106.06596	1.9
107.07347	2.2
108.04479	8.5
108.08115	37.4
110.06046	7.3
111.04500	1.6
117.14719	0.7
118.06493	2.5
120.08124	0.9
122.05946	1.5
122.09666	10.6
123.08115	1.1
128.07039	1.3
132.95848	3.8
136.07574	100.0
137.07909	2.1
138.05486	3.7
138.09142	5.1
140.10716	3.1
150.09142	79.6
150.96890	6.0
151.09486	1.8
154.08659	1.4
164.07063	39.5
165.07445	1.0
168.10197	95.8
169.06401	1.1
169.07663	1.2
169.10455	2.5
169.48306	0.9
182.08115	8.1
186.05484	1.1
191.97197	1.8
196.09680	26.8
214.05042	0.8
214.08754	1.4
214.10736	18.3
215.06966	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1074
Annotation	alpha-Allokainic acid
Peak:m/z	Relative Intensity
50.62812	0.4
53.03943	3.7
55.01863	0.5
55.05510	6.5
56.05033	0.4
57.03425	0.6
59.04993	0.7
65.53825	0.4
67.05495	1.5
68.05035	2.2
68.80393	0.4
69.03426	3.9
70.06583	1.0
70.50620	0.4
71.05000	0.5
71.28483	0.4
72.07812	0.5
72.08157	6.3
79.05470	1.6
80.05013	4.4
81.03430	0.8
81.05797	0.9
81.07053	0.9
82.06583	2.0
83.04968	1.6
84.04498	0.5
85.06555	0.4
87.04474	0.7
91.05459	1.6
92.04943	0.4
93.05795	0.8
93.07027	1.3
94.06570	6.1
95.04971	0.7
95.08587	1.8
96.03898	0.6
96.04493	8.0
96.08136	0.9
97.02399	0.4
97.02901	3.7
98.06048	0.6
98.97549	0.4
101.05993	0.9
105.07005	2.6
106.06554	0.6
107.07352	2.1
107.08549	0.8
108.04465	2.6
108.08115	2.3
110.06049	1.2
110.09659	0.8
114.26176	0.4
119.06023	0.4
120.04446	0.5
122.06001	0.8
122.08852	0.7
122.09666	10.6
123.08057	1.1
124.07542	0.5
126.05500	0.5
132.08083	0.8
132.95822	2.3
136.07576	5.3
138.05470	1.7
138.09152	3.4
140.06966	0.4
140.10706	2.6
141.09042	0.5
145.06441	0.5
146.66768	0.6
149.96205	0.4
150.09137	84.1
150.96863	3.4
151.09494	2.7
153.98601	0.4
154.08574	0.8
164.07141	1.9
168.10194	100.0
169.07571	1.4
169.10515	3.3
182.08098	3.1
183.04214	0.5
187.07526	0.7
191.97131	1.0
196.09695	5.9
197.05914	0.6
200.04700	0.5
214.05847	0.6
214.10742	13.3
214.14091	0.5
215.07048	1.7
215.10793	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	12.8
55.05495	10.5
58.90276	8.9
67.05511	54.0
69.11145	54.9
69.11561	24.3
74.09726	60.2
79.05499	14.6
81.07065	36.5
83.08604	16.7
88.90822	9.3
91.05501	41.3
93.07081	27.1
95.04986	17.2
95.08622	26.0
97.42676	10.3
105.07037	53.8
107.08609	30.2
108.06900	12.3
108.26281	8.6
109.07648	21.0
109.10169	62.8
117.06997	11.2
119.08609	21.0
121.07668	12.4
125.07166	25.0
129.07039	11.6
131.08592	33.6
133.07578	12.8
133.10159	91.3
137.07101	100.0
143.08553	18.0
145.10089	45.7
150.96973	12.4
151.11203	44.5
157.10156	25.4
159.08101	9.6
159.11758	28.3
169.10143	11.9
169.89398	11.2
171.11678	13.5
173.09622	14.4
173.13319	25.7
179.08080	47.6
187.14769	9.8
197.09319	31.0
197.13274	18.3
215.10417	43.0
215.14301	80.7
215.17831	57.6
216.08725	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	215.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53056	1.1
55.05506	4.8
57.07073	1.7
67.05508	7.6
67.99464	1.3
69.07076	8.9
71.28743	1.2
71.29143	1.3
74.09727	5.8
79.05479	4.5
81.07064	10.4
83.08604	4.4
91.05473	6.3
93.07034	5.4
95.08604	22.4
105.07035	15.4
107.08596	7.7
109.07664	1.5
109.10165	13.3
116.05300	1.5
117.07011	6.9
119.08575	15.1
121.10156	6.9
123.08157	1.3
123.11716	2.0
125.07203	1.4
128.06096	1.4
129.07005	3.4
130.07782	3.4
131.08565	18.9
133.10118	18.9
135.11671	2.4
137.07112	3.4
142.07655	1.2
143.08566	3.6
144.09348	5.5
145.10126	36.3
147.11697	6.5
157.10100	3.4
159.11690	55.3
160.12192	1.7
171.11719	2.5
173.02303	1.3
173.09642	1.6
173.13269	19.5
179.08145	1.3
185.13264	3.8
187.14798	5.4
200.15665	2.5
215.10394	2.2
215.17950	100.0
215.21956	6.8
216.18301	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	216.1595
Annotation	Ethyl 3-(N-butylacetamido)propionate
Peak:m/z	Relative Intensity
52.95365	0.2
55.01866	0.9
55.05507	2.3
57.07077	1.7
57.73427	0.2
60.04522	0.3
61.02914	0.6
71.50208	0.2
72.04530	0.3
73.02901	0.8
83.04989	2.9
83.12452	0.3
83.54573	0.3
86.06071	1.0
86.09705	100.0
87.04447	0.4
87.10039	1.3
89.02367	0.4
89.06031	0.7
95.93168	0.2
101.06014	1.1
102.23230	0.2
111.04441	3.3
116.10718	1.0
127.07526	0.4
128.10716	50.0
129.05481	0.6
129.11049	1.3
142.12267	0.3
155.07018	4.6
161.02396	0.2
162.02614	0.4
166.28996	0.3
170.11761	49.2
171.12097	1.4
173.02310	0.6
173.08122	2.0
174.02672	2.0
174.14893	6.3
210.70914	0.3
216.07332	1.1
216.15968	1.4
217.04893	0.8
217.10782	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1296
Annotation	N-Acetyl-L-arginine
Peak:m/z	Relative Intensity
55.05511	7.6
56.96568	15.3
60.04532	7.9
60.05654	12.3
64.63463	1.1
69.03430	3.6
70.06594	93.3
71.04998	17.0
71.34221	1.4
72.04510	2.9
72.08155	10.9
73.02908	1.2
74.02435	8.0
81.03413	2.3
83.04981	12.5
83.91998	1.1
85.02903	4.6
85.06538	1.6
86.06064	2.6
87.04482	2.4
88.07634	4.7
95.06091	4.2
97.02903	3.0
97.07664	3.3
98.06058	2.7
98.97589	9.9
99.04446	2.9
101.06007	4.3
111.04458	13.6
111.09228	1.8
112.07609	15.0
112.08744	12.8
113.06017	2.3
113.07138	9.0
113.10726	1.8
114.05595	1.9
114.09171	6.5
114.10300	2.1
115.08698	26.0
116.07094	37.4
116.98625	3.8
119.01945	1.4
121.01677	2.2
124.99128	1.8
126.09114	2.7
129.05484	2.0
130.04956	1.5
130.08739	1.8
130.09744	6.4
134.99599	1.2
139.08672	3.6
143.00179	3.2
143.01904	1.5
145.23874	1.1
152.05028	1.6
154.08627	4.1
154.09740	1.7
155.07025	19.1
157.01756	3.3
157.09723	19.0
157.10883	2.3
157.22540	1.3
158.08122	69.6
158.09285	13.7
158.99754	1.5
159.08450	1.6
160.03889	3.5
161.01144	1.4
167.02850	3.5
169.04440	6.1
170.99617	1.9
173.08112	7.0
173.09389	1.4
175.02785	7.4
175.10768	2.0
175.11961	16.4
176.93245	1.1
199.11917	2.6
200.10335	21.0
217.03868	1.8
217.10765	7.5
217.12961	100.0
218.13457	1.7
238.90753	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26152	19.5
55.09419	19.1
57.15798	16.5
65.08131	19.0
69.47926	100.0
98.97587	66.6
115.91116	22.9
116.98615	30.6
127.77631	17.7
219.02531	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	219.1744
Annotation	Z-gamma-Atlantone
Peak:m/z	Relative Intensity
50.35325	0.3
51.95669	0.4
53.03946	2.2
55.01864	1.4
55.05275	0.6
55.05513	6.6
57.03428	0.6
57.07074	0.8
64.76814	0.3
65.03930	1.1
67.05505	23.2
67.24993	0.3
69.03427	0.8
69.07072	5.6
69.54996	1.3
69.55424	0.6
71.04976	0.8
77.03925	0.8
77.38906	0.3
79.05494	25.8
80.05809	0.4
81.03426	3.4
81.07055	22.2
83.04972	1.7
83.08626	2.5
85.06528	0.6
85.70543	0.3
91.05482	29.4
92.05798	0.7
93.07043	25.6
94.07394	0.4
95.04970	3.5
95.08603	13.3
97.06518	1.4
97.10150	1.2
99.08109	0.4
100.30959	0.4
103.05448	0.7
105.04542	0.7
105.07029	11.0
107.04274	0.6
107.04958	7.0
107.08595	11.9
109.06487	1.7
109.10156	4.5
111.08073	0.4
113.09645	0.7
115.05413	0.6
117.07024	9.7
119.08580	11.0
121.06510	4.7
121.10145	8.4
123.08075	1.6
123.11702	0.7
131.07574	0.8
131.08571	17.1
133.10132	5.2
135.08075	0.9
135.11678	4.7
137.09610	1.3
145.10121	7.8
147.11697	1.5
149.09630	0.7
149.13222	0.8
153.12740	0.7
159.11690	4.2
161.13254	0.8
173.13307	1.6
175.14847	0.8
177.12799	0.4
190.95325	0.5
201.16397	3.2
203.14252	1.2
205.15904	0.3
219.17436	100.0
220.17760	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	219.1744
Annotation	Dihydromylione A
Peak:m/z	Relative Intensity
54.67311	0.6
55.01868	1.0
55.05504	4.6
57.03434	0.6
57.07072	1.5
59.04984	1.5
63.13554	0.6
67.05500	5.9
69.03413	0.7
69.07069	20.0
71.04988	2.5
74.17939	0.6
79.05488	3.3
81.07065	8.1
83.04987	1.3
83.08611	3.1
83.24235	0.7
85.06535	1.8
91.05490	4.5
93.07041	10.2
95.04974	2.6
95.08611	14.9
97.06522	2.0
97.10153	1.7
98.23362	1.9
98.74343	0.6
101.11755	0.7
105.07034	13.3
107.08594	14.7
109.06521	4.4
109.10153	17.4
111.08078	2.8
112.28392	0.7
112.69235	0.6
117.07033	1.5
119.08577	15.9
121.06500	2.8
121.10149	14.5
123.08063	2.3
123.11678	4.2
125.09670	1.5
129.06969	1.0
130.07750	1.5
131.08568	4.9
133.10127	8.0
135.08080	3.3
135.11690	14.5
137.09621	10.2
137.13210	2.0
145.10124	14.9
146.10594	0.8
147.11681	4.0
147.92850	0.6
149.09618	6.5
149.13264	5.0
150.10275	0.7
151.11133	2.1
159.11671	9.2
161.09627	1.5
161.13258	10.6
163.11186	14.2
163.14714	0.9
173.13226	3.8
175.14838	5.3
177.12743	3.0
177.16394	2.8
191.17949	8.0
201.16388	13.5
202.16647	0.7
203.14319	3.2
219.13895	2.5
219.17435	100.0
220.17793	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	219.1744
Annotation	Z-gamma-Atlantone
Peak:m/z	Relative Intensity
53.03947	2.1
55.01857	1.3
55.05511	6.9
57.03437	0.5
57.06014	0.3
57.07055	0.9
65.03926	1.2
65.96080	0.3
67.05505	21.4
69.03414	1.2
69.07068	4.8
69.78307	0.2
71.04978	1.1
79.05492	27.1
81.03410	3.1
81.07053	19.9
83.04980	1.7
83.08610	2.8
85.06532	0.8
88.68266	0.3
91.05478	26.1
92.05801	0.5
93.07040	25.6
93.59119	0.3
94.07353	0.6
95.04972	3.7
95.08604	12.5
96.08939	0.4
97.06528	1.9
97.10172	1.8
98.09930	0.3
98.23440	0.7
99.08077	0.8
103.05462	0.6
105.04554	0.5
105.07028	10.6
106.07370	0.4
107.04957	7.6
107.08594	13.2
109.06528	2.2
109.10161	5.0
111.08077	0.6
112.51590	0.3
113.09606	0.7
116.06176	0.3
117.06201	0.6
117.07015	8.9
119.08577	9.4
121.06495	4.2
121.09310	0.5
121.10147	8.3
123.08025	1.9
123.11713	0.9
125.09621	0.7
129.06940	0.5
131.08566	15.4
133.10120	5.0
135.08034	1.0
135.11678	4.4
137.09575	1.2
145.10109	7.4
147.11650	1.5
149.09601	0.5
149.13237	0.8
153.12743	0.9
157.10081	0.5
159.11694	3.8
161.13248	1.1
173.13281	1.6
175.14868	0.8
177.12732	0.5
191.17992	0.4
201.16373	4.0
203.14333	1.7
205.15881	0.5
219.17432	100.0
220.17767	3.5
229.17416	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
50.09712	0.9
53.03943	1.3
55.05511	11.0
57.07071	2.0
65.03958	1.0
67.05501	10.3
69.03437	2.1
69.07071	9.0
69.22255	5.0
69.22663	1.7
71.05000	15.0
71.20042	1.1
77.03912	1.2
79.05492	12.7
81.07054	24.9
83.04987	4.6
83.08609	2.7
85.06537	1.6
91.05481	28.6
93.07044	25.2
95.04934	1.7
95.08611	17.4
97.06525	6.1
97.10113	1.5
98.23329	1.9
103.05405	1.8
105.07030	67.6
106.07378	1.9
106.75773	0.9
107.08596	25.3
109.06509	3.3
109.10149	11.7
111.08071	3.7
115.05466	2.5
117.07026	8.3
118.07832	1.0
119.08573	24.0
119.09351	1.9
121.06506	6.2
121.10140	20.0
123.08085	4.6
123.11690	4.9
125.09631	17.9
129.06985	1.3
130.07774	1.8
131.08571	17.9
133.10126	100.0
134.10463	2.5
135.08044	6.7
135.11674	9.5
137.09613	4.1
139.11174	1.9
143.08527	1.8
144.09294	1.6
145.10120	21.4
147.11688	17.0
149.09631	4.1
149.13275	3.7
151.11168	2.6
157.10185	1.7
158.10870	2.0
159.08043	2.3
159.10428	1.2
159.11694	24.7
161.09581	1.6
161.13237	11.2
163.11165	5.4
163.14857	1.9
172.12381	1.3
173.13264	6.5
175.14796	4.9
177.12740	5.4
177.16316	3.7
189.09190	1.7
191.14275	1.0
191.17900	1.6
201.16383	21.1
203.14371	1.5
219.10162	1.7
219.13831	3.3
219.17424	54.1
220.17743	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	219.1743
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
53.03939	2.8
55.01861	2.0
55.05508	9.1
57.03446	1.3
57.07071	2.3
58.56041	1.1
59.04986	1.9
65.03935	1.7
67.05495	11.3
69.03416	3.1
69.07070	8.2
70.06017	3.7
71.04992	22.9
71.08563	1.1
73.06567	1.0
77.03928	1.7
79.05072	1.7
79.05492	18.1
81.03415	1.6
81.06580	1.9
81.07054	30.6
83.04964	5.4
83.08600	3.2
85.02861	2.7
85.06528	2.9
88.11254	2.6
89.11579	3.2
91.05478	32.3
93.07039	28.8
95.04948	3.6
95.08611	21.9
97.06537	6.6
97.10146	1.5
99.08089	1.6
103.05467	3.1
105.07027	88.6
106.07309	2.2
107.04913	1.8
107.08585	25.1
109.06502	5.0
109.10152	10.2
111.04436	2.6
111.08040	3.1
113.09605	1.3
115.03891	1.5
115.05462	3.9
116.06214	1.6
117.07004	12.0
118.07818	1.3
119.08579	37.1
121.06493	8.5
121.10136	14.9
121.38590	1.3
123.08068	3.7
123.11665	3.9
125.09619	17.6
128.06186	3.1
129.06990	7.2
130.07753	3.9
131.04919	1.3
131.08565	29.1
133.10126	100.0
134.10423	2.6
135.07977	6.7
135.11713	6.1
137.05965	2.1
137.09599	3.4
141.06946	4.5
142.07768	2.3
143.08569	2.8
144.09326	2.1
145.06468	5.9
145.09006	2.0
145.10121	30.7
145.11261	2.1
146.05975	1.3
147.08066	2.0
147.11682	12.6
149.09570	3.3
149.13219	2.9
155.07071	1.4
155.08571	2.3
157.06483	2.8
157.10074	3.1
158.07294	3.2
158.10843	2.5
159.08075	10.0
159.11673	28.3
160.07547	1.4
161.09645	3.5
161.13274	10.7
163.03833	1.8
163.07541	3.7
163.11176	3.9
173.05951	2.8
173.09610	9.5
173.13277	22.1
174.06723	4.8
174.09140	7.8
175.14838	4.8
177.12715	3.7
183.08035	1.4
183.11716	1.4
189.09116	6.8
190.06203	1.8
191.07028	2.8
191.10638	2.4
191.14268	2.4
191.17821	1.3
201.05441	3.0
201.08936	6.5
201.12787	4.2
201.16383	21.7
203.14336	8.1
205.15903	1.7
219.08011	3.4
219.09999	19.1
219.14133	12.0
219.17418	87.3
220.09700	4.7
220.17744	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	219.1744
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
53.03931	2.9
55.01865	1.9
55.05513	12.2
55.73126	1.2
57.03426	2.7
57.07064	1.5
67.05226	1.3
67.05511	11.9
69.03416	2.8
69.07071	6.8
69.82454	4.6
71.04988	17.4
79.05497	13.6
81.07053	28.1
83.04972	5.0
83.08619	3.1
85.06531	2.4
91.04966	2.3
91.05482	27.8
93.07040	28.5
95.04967	4.5
95.08616	17.2
97.06519	6.3
99.08067	2.1
103.05473	2.7
105.07028	84.0
106.07339	1.6
107.04983	1.6
107.08600	17.0
109.06524	3.1
109.10155	9.6
111.08075	1.6
113.09656	1.5
115.05460	3.0
116.06236	2.1
117.07006	11.8
119.07780	2.1
119.08577	26.2
121.06487	4.2
121.10149	16.2
123.08092	3.4
123.11678	1.7
125.09637	14.0
128.06197	2.9
129.07005	9.4
130.07741	2.9
131.04913	2.4
131.05997	2.0
131.08572	28.7
133.10126	100.0
134.10471	3.3
135.08038	5.2
135.11652	5.7
137.09622	4.9
141.06987	6.2
143.08591	2.3
145.06494	2.8
145.10120	22.1
146.05966	4.3
147.08014	1.8
147.11684	14.6
149.09552	3.2
157.06448	3.9
157.10127	2.9
158.06052	1.6
158.07253	4.4
158.10985	1.7
159.07996	5.7
159.11687	30.1
161.09616	1.8
161.13268	12.7
163.07474	2.7
163.08731	2.0
163.11183	5.4
169.06528	2.3
173.05927	2.1
173.09595	2.8
173.13249	15.1
174.06763	13.3
175.07509	2.0
175.14830	3.9
177.12714	1.5
186.06754	2.5
189.09077	18.6
190.06300	1.6
191.07057	2.1
191.10555	1.6
191.14264	3.6
201.09087	6.5
201.12761	3.2
201.16376	16.4
203.14262	7.4
205.15930	1.6
219.08023	4.3
219.10094	15.7
219.13824	8.2
219.17433	81.8
220.17831	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	219.1745
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
52.05902	1.2
53.03943	3.0
55.01878	2.7
55.05511	10.8
57.03435	2.7
57.07074	2.6
59.05005	1.6
65.94416	1.3
67.05508	16.3
69.03417	5.5
69.05631	7.3
69.06053	4.1
69.07074	11.2
71.01373	1.7
71.04994	23.9
79.05490	16.3
81.03443	2.1
81.07056	34.0
83.04983	3.7
83.08601	3.7
85.02885	5.8
85.06545	3.4
87.00778	1.8
91.04965	2.5
91.05479	30.2
93.07048	27.7
95.04949	6.7
95.08611	20.1
97.02874	2.7
97.06510	6.7
97.10186	1.8
98.22661	3.4
98.75577	1.5
103.05463	3.1
105.04502	2.4
105.07036	66.4
106.07352	1.9
107.04985	2.2
107.08598	26.0
109.06532	7.6
109.10138	11.4
111.08058	4.1
115.05438	5.6
116.06203	1.5
117.07025	15.0
119.08589	42.9
120.16884	1.6
121.06497	8.0
121.10154	15.7
123.04384	3.6
123.08049	6.9
123.11687	3.9
125.09631	11.1
128.06216	4.5
129.07007	14.6
130.07799	2.3
130.22008	1.4
131.04916	3.4
131.08563	32.6
133.06448	1.6
133.10132	95.7
135.08054	4.1
135.11707	7.8
137.05978	2.8
137.09666	3.8
139.11108	1.5
141.07014	9.2
143.08604	3.9
144.09245	1.7
145.06509	7.8
145.10120	26.0
146.06091	1.6
146.07208	3.0
147.08022	2.7
147.11694	14.3
149.06007	1.8
149.09608	4.2
149.13268	4.2
157.06451	8.0
157.07626	2.4
157.10121	5.8
158.07285	7.0
158.10921	1.8
159.04343	2.7
159.08038	9.5
159.11694	34.2
161.09610	4.3
161.13271	13.6
163.07533	3.6
163.11157	5.5
169.06477	3.0
170.07346	1.6
173.05995	5.6
173.09589	2.6
173.13281	19.3
174.06778	18.5
174.12737	2.6
175.07516	4.1
175.11218	2.7
175.14818	6.3
176.04681	2.2
177.05391	2.6
177.12718	5.6
177.16484	1.6
183.47978	1.5
186.06783	4.7
189.09111	23.1
191.06973	2.8
191.10619	1.6
191.14290	5.0
191.17923	2.7
201.09096	11.1
201.12735	5.0
201.16362	23.7
203.14333	17.1
219.06389	3.7
219.08080	5.6
219.10085	17.5
219.14142	13.9
219.17438	100.0
220.17801	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	219.1744
Annotation	Z-gamma-Atlantone
Peak:m/z	Relative Intensity
53.03936	0.5
55.05511	5.4
56.96559	0.9
57.07071	0.8
64.76299	0.4
67.05504	1.2
69.07071	0.8
70.17860	0.5
70.18264	0.8
79.05495	6.8
81.07049	2.2
83.04981	38.2
83.08599	0.5
84.05291	0.5
90.05547	0.4
91.05477	5.3
93.07043	22.4
94.07397	0.6
95.04974	1.0
95.08623	1.0
99.08067	0.5
103.05486	0.4
105.07034	5.7
106.07872	0.4
107.08607	1.3
109.10088	0.4
112.13281	0.4
114.18523	0.4
117.07011	1.3
118.05302	0.3
119.08585	4.4
121.10141	100.0
122.10474	2.4
123.08070	1.1
129.06941	0.6
129.90372	0.3
131.08568	1.9
133.07658	0.7
133.10089	1.1
134.99510	0.4
135.08086	0.4
135.11708	0.6
136.43890	0.4
141.06905	0.6
145.10120	1.9
147.11763	0.4
149.09633	0.4
154.12776	0.4
157.07620	0.4
157.10153	0.7
159.11749	1.8
161.13245	0.5
172.94279	1.5
173.13271	0.9
183.11699	0.4
190.95366	1.5
201.12727	1.1
201.16362	0.7
203.14342	3.2
205.15837	0.7
208.96385	0.4
219.11487	1.0
219.13829	2.3
219.17426	14.4
220.17810	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1743
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
53.03946	1.9
55.05507	10.8
57.07063	2.4
59.04968	1.2
67.05505	8.2
69.07072	7.1
71.04993	17.1
71.19348	1.6
71.19708	1.1
75.06895	1.1
75.73855	1.1
79.05486	13.0
81.07056	38.0
82.46575	1.0
83.04973	5.0
83.08626	2.8
85.06524	2.3
85.75982	1.0
91.05476	22.3
93.07048	23.0
95.04987	1.7
95.08614	15.9
97.06532	5.0
97.10168	2.5
103.05471	1.2
105.07032	69.7
106.07293	2.1
107.08595	18.4
109.06550	2.7
109.10142	9.8
109.71079	1.3
111.08124	1.4
115.05437	1.7
117.07009	6.5
118.06555	5.9
119.08581	20.2
120.15179	1.2
121.06509	5.0
121.10143	14.8
123.08073	4.0
123.11680	2.7
125.09628	29.4
130.07819	1.4
131.08577	14.5
133.10127	100.0
134.10422	1.7
135.11684	4.9
137.09607	1.7
139.11157	2.5
143.08516	2.1
144.09418	1.3
145.10104	21.5
146.09644	2.1
147.11671	17.9
149.09615	3.0
149.13248	1.9
158.10902	1.7
159.11696	21.0
161.13248	13.3
162.09151	3.8
163.11151	3.5
173.13213	6.3
175.14828	4.3
176.10803	2.4
176.14301	14.5
177.12715	1.3
177.16393	2.3
190.12192	1.8
191.14314	1.2
191.36288	1.4
201.16393	16.1
203.14345	3.2
219.13974	2.4
219.17436	46.4
219.19563	2.7
220.16966	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33831	0.5
55.01876	0.8
55.05511	1.0
57.07075	6.5
58.78800	0.5
59.05009	5.2
67.05504	5.8
67.98348	0.5
68.25391	0.6
69.07076	6.8
69.60400	2.5
70.02963	7.7
70.06621	0.6
72.04523	16.6
72.08152	1.7
73.02922	4.6
74.02492	1.1
81.07062	1.1
83.04982	1.9
85.06551	11.1
86.06038	1.0
86.09705	1.9
87.04504	2.6
87.08099	2.3
90.05560	100.0
91.05892	0.8
95.04982	8.1
96.08086	2.7
96.40232	0.5
98.02416	18.4
98.06068	3.0
98.22713	0.8
100.03986	1.3
103.07581	9.1
104.49209	0.5
112.07606	0.6
113.06035	3.3
116.03456	15.5
124.06701	1.0
124.07599	18.7
124.08474	1.0
131.07068	0.8
132.10237	1.0
140.10713	2.1
142.08640	7.4
156.10199	1.4
158.11763	10.7
159.12079	0.7
160.09746	1.8
166.08713	2.6
174.11301	2.7
184.09717	19.9
202.10750	28.4
203.11049	0.7
205.15919	1.9
220.11809	25.3
220.15379	1.5
220.17863	1.8
221.12152	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.118
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.05517	0.9
57.07080	6.9
59.04998	5.0
65.03941	0.6
66.19781	0.6
67.05502	6.7
69.07075	5.5
69.59116	0.6
69.59453	2.8
70.02960	8.4
72.04108	0.9
72.04514	17.7
73.02915	3.8
74.02441	1.9
82.37197	0.6
83.04978	1.0
85.06545	11.8
86.09711	1.9
87.04475	1.0
87.08104	3.1
90.05557	100.0
91.05881	0.6
91.42526	0.6
94.18477	0.5
95.04977	7.7
96.08128	2.0
98.02414	18.6
98.06086	0.8
100.03983	2.9
103.07581	7.0
112.07600	0.7
113.06028	3.5
113.06667	0.6
116.03454	13.0
116.93855	0.6
124.07598	19.4
131.07065	1.0
142.08653	7.9
156.10205	1.1
158.11760	4.4
160.09715	3.0
166.08635	2.1
174.11292	1.7
184.09703	20.4
202.10738	28.4
205.15927	1.1
220.11794	27.9
221.12347	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1696
Annotation	Fabianine
Peak:m/z	Relative Intensity
51.72559	0.1
55.59550	0.1
69.18346	0.5
69.18764	0.5
73.57028	0.2
73.67419	0.1
81.07047	0.2
90.05605	0.1
91.05470	0.2
93.07035	0.2
95.08147	0.1
98.23434	0.2
105.07067	0.3
106.06578	0.2
107.08545	0.2
107.52157	0.2
109.02644	0.9
116.11967	0.1
117.06982	0.2
118.06539	10.9
119.07309	0.4
119.08591	0.3
120.08102	0.2
121.10233	0.2
132.08086	3.4
133.08887	1.7
134.09631	0.8
134.10541	0.3
144.08078	0.3
146.09642	3.2
146.10756	0.2
147.10396	0.3
160.11223	0.6
161.11989	0.2
161.13261	0.2
162.09143	6.6
163.09891	0.2
165.09109	0.2
172.11409	0.1
174.09326	0.2
176.10770	4.4
176.14342	29.6
177.11473	1.7
177.14699	0.9
188.06778	0.8
189.15065	0.2
190.12262	3.3
191.12914	0.3
202.15843	0.9
204.13791	0.3
205.15878	0.6
220.16957	100.0
221.15211	0.3
221.17307	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0921
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
52.50996	0.3
55.11951	0.4
57.07080	0.5
67.05493	0.4
71.35207	0.5
81.03403	0.4
81.19523	0.3
82.02950	2.1
90.05560	0.7
91.05416	0.5
91.05889	0.5
93.07030	0.7
94.06578	4.0
95.05009	0.6
97.02916	0.5
98.97651	0.4
102.30498	0.4
103.05431	0.8
104.05001	0.7
115.05465	1.1
119.08588	0.5
120.08080	0.8
121.06512	0.4
130.06532	50.3
131.06918	1.4
132.04457	37.8
133.04808	0.6
147.09158	0.6
147.90125	0.5
148.07544	1.6
156.06842	0.5
157.06300	0.7
157.07619	21.0
158.06015	72.7
159.06418	1.9
159.12114	0.7
161.06050	0.5
175.08675	100.0
176.07085	1.8
176.09087	2.7
186.05573	2.2
203.08118	1.2
204.06566	4.1
206.16187	2.5
221.09238	21.7
221.12683	0.8
221.18338	1.3
222.09512	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1537
Annotation	Oblongolide
Peak:m/z	Relative Intensity
50.88873	0.3
51.90353	0.5
53.03938	0.4
55.01871	0.7
55.05509	3.9
57.07069	2.7
59.04988	0.9
60.79785	0.4
67.05502	3.7
69.03426	0.5
69.07070	11.0
69.99169	1.2
71.05020	0.4
79.05490	2.2
81.07060	5.4
83.04977	1.1
83.08619	2.7
84.22269	0.4
85.02428	0.7
85.02904	7.9
85.06534	0.9
85.20957	0.4
87.41819	0.4
91.05475	3.4
93.07041	5.2
94.68867	0.4
95.04962	1.8
95.08614	5.5
97.06527	1.2
98.23351	0.5
99.04415	0.4
105.07030	7.9
107.05005	0.5
107.08598	4.6
109.06516	7.6
109.10140	3.3
111.08090	1.7
117.06995	1.2
119.04974	0.7
119.08582	12.5
121.06483	1.3
121.10139	5.4
123.08065	10.6
123.11749	2.4
125.06006	1.1
125.09637	0.5
128.06215	0.5
130.07748	0.8
131.08548	1.6
133.06447	0.9
133.10126	23.9
134.10503	0.6
135.08066	1.4
135.11691	3.5
137.05923	0.8
137.09604	2.1
137.13234	1.6
139.07620	0.7
143.08549	0.9
145.10110	3.8
146.10834	1.1
147.04439	2.7
147.08031	1.2
147.11674	1.4
149.09557	0.5
151.07552	22.0
157.10098	1.0
159.11716	2.6
161.09586	1.3
161.13255	39.7
162.13614	1.1
163.11183	2.2
165.05464	1.4
165.09120	4.8
175.14833	2.6
177.12714	0.7
179.14310	4.6
185.13242	2.8
193.15942	0.5
203.14293	3.6
206.10872	1.4
206.16238	0.6
221.15356	100.0
222.15681	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	221.1536
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
53.03943	6.5
53.48986	1.9
55.01859	3.4
55.05516	14.0
56.91526	1.8
57.03437	2.7
57.07073	3.7
64.10510	2.1
64.73712	1.8
65.03938	2.8
66.05701	1.8
67.05508	40.6
69.03029	19.7
69.03406	3.0
69.07065	11.5
71.04987	2.8
73.41436	2.3
77.03927	2.4
79.05494	58.0
81.07057	39.7
83.04988	4.4
83.08617	6.2
85.06537	5.3
91.05476	55.0
93.07043	100.0
95.04964	14.1
95.08616	22.1
97.06519	3.1
97.10177	3.4
99.08100	4.6
105.04499	3.4
105.07024	26.0
107.04958	3.5
107.08600	36.6
109.06517	8.5
109.10173	7.7
111.08085	2.2
116.22466	1.9
117.07024	12.7
119.08581	41.3
121.06493	7.1
121.10136	26.2
123.08072	7.7
125.09666	2.5
129.06981	5.5
131.08600	8.1
133.06429	2.5
133.10136	16.1
135.08087	3.7
135.11723	4.6
137.09625	6.8
139.07594	3.1
143.08551	14.0
145.10168	3.7
147.04352	1.9
147.08054	7.5
147.11702	7.0
155.71228	2.3
157.10135	5.3
159.11693	9.4
161.09621	3.9
161.13261	31.5
163.11198	2.1
165.07062	1.9
165.09090	4.8
175.11209	4.5
175.14859	20.2
185.13240	21.9
191.08559	3.7
193.15964	3.1
203.14333	22.8
204.03793	2.0
206.06987	1.8
206.10950	11.4
206.16202	3.6
219.11932	1.8
221.09633	2.7
221.13235	16.8
221.15363	61.2
221.18767	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
53.03931	2.6
55.05501	9.9
57.03416	1.6
57.07063	3.3
61.94103	1.4
67.05501	11.2
69.07074	14.8
70.35397	4.0
71.04992	32.1
79.05495	21.7
80.78076	1.3
81.07057	73.7
83.04987	1.3
83.08619	4.9
85.06561	1.7
91.05470	13.0
93.07040	42.4
95.05003	2.4
95.08601	28.4
97.06520	3.4
97.10142	1.6
98.23277	1.5
99.08092	2.0
103.36790	1.3
105.07030	32.1
107.08594	67.3
109.06538	3.0
109.10149	24.9
111.08074	2.7
113.09620	2.8
114.71982	1.5
115.05460	1.6
117.07053	2.2
119.08577	43.8
121.06492	3.0
121.10144	12.4
123.08046	2.9
123.11697	15.3
125.09630	1.6
127.11193	4.0
133.09219	2.3
133.10126	24.6
135.11693	100.0
136.11990	3.3
137.09596	6.0
137.13231	2.3
139.11205	2.0
145.10143	3.5
147.11679	23.4
149.13246	9.7
151.11191	2.5
159.11639	2.0
161.13249	14.5
163.11159	1.5
163.14815	4.2
165.09056	1.4
165.12715	1.6
175.14795	5.8
177.16385	2.3
193.44176	1.4
195.94719	1.7
203.10471	1.6
203.17958	36.1
217.26421	1.3
221.11636	1.7
221.15385	6.2
221.18990	55.2
222.19370	4.3
223.48380	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03944	3.5
55.05522	17.4
57.07085	6.3
59.04979	3.4
64.85506	2.1
67.05510	15.6
67.93418	2.2
69.03411	2.2
69.07073	20.7
70.64732	2.3
71.04995	25.1
71.30002	4.6
79.05495	30.2
81.07063	67.7
83.04977	4.1
83.08630	6.2
85.06540	10.5
91.05465	22.8
93.07056	51.8
95.04994	5.0
95.08614	50.1
97.06557	4.3
97.10175	2.5
99.08088	7.7
105.07037	51.2
107.04916	3.3
107.08598	84.1
109.06532	6.0
109.10161	35.0
111.08074	8.2
113.09679	2.5
117.07043	4.1
118.06607	4.3
118.40014	2.2
119.06847	4.1
119.08585	65.4
121.06496	4.1
121.10155	22.3
123.08062	6.8
123.11712	23.7
127.11189	3.5
131.08600	5.8
132.04463	2.8
133.10136	38.0
134.10484	2.4
135.08104	3.1
135.11705	100.0
136.12059	3.0
137.09636	6.7
137.13272	3.7
143.08537	3.2
145.10130	4.1
147.08057	4.7
147.11688	28.9
149.02373	3.8
149.09601	2.6
149.13210	10.2
151.11185	4.7
157.10188	2.1
159.11754	4.5
161.09634	5.2
161.13272	35.0
163.09586	2.2
163.11235	3.4
163.14804	4.2
165.09032	3.4
165.12677	2.9
175.07487	7.4
175.14825	9.7
176.14313	3.1
177.14699	16.8
177.16286	4.0
185.13301	3.1
203.14314	6.0
203.16159	4.8
203.17955	42.9
206.16283	3.2
221.05907	3.7
221.09671	7.2
221.11671	2.2
221.15341	13.5
221.17285	72.8
221.19080	61.1
237.65022	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03922	3.6
53.16109	1.5
55.01860	1.8
55.05507	22.9
57.03416	2.1
57.07074	9.2
59.04966	1.9
61.04276	1.6
65.03915	2.2
67.05176	2.7
67.05506	32.0
69.03410	3.1
69.07065	32.7
71.04976	7.6
71.30611	2.0
71.31032	1.9
73.06554	1.9
79.05496	18.8
81.07054	71.2
82.02927	1.6
83.04987	15.5
83.08619	16.4
85.02883	1.7
85.06548	11.0
91.05450	20.7
93.07042	35.4
95.04938	6.2
95.08605	74.2
97.06531	6.3
97.10160	7.4
98.30234	1.6
99.08061	3.0
103.89915	1.6
105.07027	42.6
107.08593	59.3
109.06503	7.7
109.10154	58.5
111.08064	8.1
111.11689	5.0
117.06998	3.6
119.08575	56.1
121.06483	3.3
121.10144	37.7
123.08046	6.6
123.11703	20.5
125.09613	9.2
127.11302	1.8
133.10126	47.2
135.11687	23.8
137.09612	7.8
137.13242	7.3
141.46321	1.8
143.08572	2.4
145.10104	4.9
147.08011	1.9
147.11687	47.5
149.02335	5.9
149.13254	17.2
151.11168	8.0
158.06105	1.9
159.11661	7.3
161.09618	4.0
161.13258	31.8
163.13499	2.6
163.14815	17.8
165.09068	2.3
165.12762	6.8
175.11285	3.0
175.14818	20.2
176.10786	2.1
177.16396	8.5
185.13332	3.6
203.14235	5.2
203.17949	100.0
204.18359	3.5
206.10876	2.3
206.16177	3.5
221.05939	4.4
221.09489	6.1
221.11600	4.2
221.13301	3.9
221.15428	17.5
221.18979	62.8
222.19344	1.8
239.09572	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.14832	1.1
55.05507	13.4
57.07064	5.4
65.03922	1.4
67.05497	17.7
69.07065	28.5
69.78780	4.1
71.04985	6.9
71.08611	1.3
79.05487	12.0
79.38611	1.1
81.06592	2.3
81.07056	40.8
82.62563	1.2
83.04973	1.8
83.08611	12.7
85.06538	3.3
85.10174	2.4
91.05457	12.3
91.38005	1.1
93.06466	2.1
93.07040	27.3
95.04980	1.9
95.08603	56.2
97.06520	2.1
97.10160	7.0
98.23296	1.6
99.08083	3.8
105.06309	1.5
105.07027	39.3
107.08596	46.8
109.06510	5.1
109.10154	31.2
109.10719	0.7
109.10902	1.1
111.08074	3.7
112.44245	1.1
119.07790	2.4
119.08578	36.1
121.06460	2.6
121.10151	24.5
123.08048	1.6
123.11702	12.8
125.09641	10.6
131.08527	2.3
133.10132	25.6
134.10413	1.5
135.08078	1.4
135.11687	10.8
136.08792	1.3
137.09604	3.9
137.13274	2.0
139.11169	4.5
145.10089	2.9
147.11674	44.9
149.13246	3.3
151.11136	5.2
153.12801	2.5
159.11700	2.8
161.13268	22.7
163.14813	12.3
165.12750	6.5
174.49394	1.1
175.11171	1.5
175.14815	16.1
177.16423	10.4
197.60303	1.5
203.17941	100.0
204.18231	3.2
206.16177	2.3
209.21443	1.4
221.09541	3.3
221.11581	1.4
221.15642	7.1
221.18988	56.0
222.19147	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03948	3.9
55.05505	18.1
57.07070	6.4
57.42406	1.8
59.05014	2.1
60.09605	1.6
67.05505	39.0
69.03433	3.8
69.07069	67.0
71.04995	12.1
74.09586	1.6
79.05488	20.8
80.80329	1.6
81.03424	3.8
81.07057	100.0
82.07375	2.0
83.04971	3.8
83.08615	8.2
85.06531	3.5
91.05439	15.6
93.07043	44.2
95.04962	7.8
95.08606	76.6
97.06517	11.0
97.10178	3.9
98.22624	4.0
99.08067	2.5
103.49548	1.6
105.07028	42.7
107.08592	38.3
109.06535	9.2
109.10156	40.3
111.08105	4.1
111.11684	9.0
113.09639	7.4
119.08579	37.8
121.06462	2.2
121.10139	22.4
123.08029	3.5
123.11712	25.2
125.09615	4.7
131.08539	2.5
132.10298	1.7
133.10138	21.8
135.11694	19.9
137.09616	3.6
137.13315	4.2
139.11182	13.2
145.10101	3.1
147.07980	2.1
147.11684	42.6
148.12059	2.1
149.13278	4.7
151.11150	9.6
153.12718	3.8
156.48785	1.8
159.11696	2.7
161.09648	2.7
161.13258	16.5
163.11246	2.0
163.14760	9.5
165.12766	6.5
175.11166	1.8
175.14833	8.1
177.16406	3.1
196.69951	1.8
203.10640	2.0
203.14313	2.9
203.17940	33.0
206.10872	2.8
206.16208	4.6
221.09441	5.0
221.13380	2.8
221.15402	12.6
221.19003	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03949	2.6
55.05507	9.2
57.07080	3.6
59.05002	1.2
65.03959	0.6
65.31491	0.7
67.05507	7.6
69.07063	8.3
70.48792	2.4
71.04991	17.7
71.08652	1.0
73.06512	0.6
74.47227	0.7
79.05490	13.1
81.07056	38.4
82.07384	1.1
83.04968	2.6
83.08628	4.3
85.06537	1.9
88.65900	0.7
89.13535	0.7
91.05479	10.0
93.07043	35.8
93.44479	0.9
95.04939	1.2
95.08604	23.2
97.06507	1.9
97.10165	2.5
99.08097	3.2
99.24946	0.7
105.07029	17.1
107.08591	55.6
108.08900	1.1
109.06498	2.7
109.10148	17.0
111.08078	3.0
111.11691	1.0
113.09621	1.2
119.08577	27.6
121.10130	8.3
123.08067	2.2
123.11706	15.1
125.09653	0.7
127.11184	4.4
131.08536	0.8
133.10127	21.3
135.11690	100.0
136.12021	2.5
137.09610	5.6
137.13277	4.4
139.11211	0.8
145.10121	2.7
147.11681	17.0
149.13266	6.9
151.11186	4.5
159.11653	1.1
160.12535	0.9
161.13268	11.2
163.14822	5.3
165.12778	2.7
175.14842	1.4
177.16374	1.7
203.17950	30.2
221.19002	49.1
222.19417	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	(E,E)-3,7,11,-Trimethyl-1,4,6,10-tetraen-3-ol
Peak:m/z	Relative Intensity
53.03939	2.0
55.05516	14.4
57.07074	4.3
59.04968	1.8
62.63771	1.5
64.36102	1.5
65.03925	2.0
67.05511	9.1
69.07072	10.7
71.04999	16.1
72.65884	1.6
76.46503	1.7
79.05496	15.5
81.07062	53.8
83.04987	2.2
83.08615	6.3
86.38652	1.7
91.05473	9.3
93.07045	34.0
95.08615	32.7
97.06494	2.3
97.10172	2.4
99.08093	4.2
105.07037	18.7
107.08599	65.3
109.06494	3.1
109.10161	27.8
111.08047	2.1
112.99950	1.5
113.09634	2.0
117.07059	1.7
119.08588	31.9
121.10157	12.7
123.08113	2.5
123.11715	15.1
125.09625	2.0
127.11202	3.8
133.10132	23.6
135.11702	100.0
135.22548	1.7
137.09610	3.3
137.13226	3.1
139.11162	2.6
147.11702	21.1
149.13255	7.0
151.11163	4.5
159.11703	1.7
161.13246	10.3
163.14799	5.1
165.12730	2.6
166.42459	1.8
177.16389	3.3
203.17960	36.1
221.19008	56.7
222.19403	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05510	8.4
57.03433	8.7
57.07063	2.6
59.04976	1.4
59.43151	1.3
67.05507	18.6
69.07069	12.4
71.04150	1.9
71.04498	2.0
71.04995	2.4
73.32523	1.2
79.05492	12.7
81.07053	52.9
83.04959	2.8
83.08620	5.2
85.06530	4.2
90.93361	1.3
91.05476	11.3
93.07045	41.3
95.04983	2.6
95.08605	72.0
97.06538	2.0
97.10164	2.5
99.08102	1.7
104.71284	1.3
105.07027	31.7
107.08592	53.2
108.16983	1.1
108.83406	1.1
109.10151	39.6
110.23775	1.1
111.08095	2.4
113.09635	2.2
119.08579	29.8
121.10145	25.8
123.08092	2.0
123.11696	8.6
125.09657	3.2
133.10141	26.2
135.11652	7.1
145.10167	2.7
147.11690	34.5
148.12094	1.4
149.13251	39.1
151.11180	2.1
161.13242	18.0
163.14807	7.6
165.09071	1.5
165.12737	3.7
174.42665	1.1
175.14812	10.5
177.16374	2.2
197.40207	1.2
203.17946	100.0
204.18324	3.4
206.10869	1.2
221.09427	1.7
221.15453	5.2
221.18990	33.8
222.19258	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.00305	0.9
53.03941	1.7
55.05514	14.1
57.07082	4.3
59.04986	1.2
65.03941	1.1
67.05508	8.5
69.07072	11.0
69.27731	2.7
69.28137	1.5
71.04597	1.2
71.04994	22.0
73.06556	1.0
79.05495	17.7
81.07059	50.3
82.07403	1.0
83.04959	2.8
83.08619	6.2
85.06534	1.9
91.05483	11.6
93.07046	38.0
94.07352	0.8
95.04968	2.1
95.08611	28.0
97.06542	2.9
97.10175	3.6
99.08101	3.6
105.07029	21.0
106.07368	0.8
107.08598	62.5
108.08930	1.1
109.06534	2.2
109.10157	22.4
111.08065	3.6
111.11722	1.0
113.09657	1.2
115.05444	0.6
117.07023	1.3
119.06069	1.2
119.08582	38.7
121.02848	1.3
121.10141	11.0
123.08089	2.6
123.11713	17.1
125.09648	1.7
127.11203	5.3
128.26234	0.6
131.08563	1.1
133.10136	22.8
135.11697	100.0
136.12033	3.1
137.09637	4.3
137.13278	4.3
139.11194	1.8
145.10164	2.9
147.11688	21.8
148.12018	0.8
148.30376	0.6
149.02344	18.4
149.13268	7.8
150.13618	0.6
151.11157	4.2
159.11746	1.2
160.12520	1.1
161.09665	0.9
161.13268	14.2
163.14830	5.2
165.12804	2.5
175.07471	0.7
175.11243	0.6
175.14850	3.1
177.16362	2.6
193.19482	0.9
203.17961	34.9
204.18268	1.2
221.15405	1.7
221.17413	2.2
221.19022	56.0
222.19328	2.7
241.91362	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.92305	1.4
55.05515	9.0
57.03433	7.1
57.07066	2.7
59.04999	2.9
67.05504	18.6
69.07074	14.9
69.18998	14.3
71.04993	3.1
79.05497	16.2
81.07059	45.4
83.04979	4.0
83.08616	3.2
85.06550	5.1
91.05472	17.8
93.07043	42.8
95.04973	4.3
95.08609	62.2
98.23346	3.4
99.01963	1.6
99.08101	2.0
105.07030	34.6
107.07862	2.8
107.08601	56.4
109.06499	4.5
109.10149	33.0
111.08063	2.0
113.09708	2.2
117.06994	2.5
119.08587	30.7
121.10147	25.6
123.08090	2.0
123.11711	12.2
125.09715	2.9
127.42203	1.8
133.10136	31.1
135.11679	8.3
137.09689	2.5
137.13301	1.9
143.08600	1.6
145.10135	2.7
147.10617	3.0
147.11694	39.7
149.13251	43.1
151.11147	1.8
161.13239	17.7
163.14848	7.4
165.12856	3.1
175.14824	13.0
203.17955	100.0
204.18312	5.0
206.16304	2.4
219.96497	1.8
221.09564	3.2
221.15437	9.0
221.18997	31.4
228.01703	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03944	3.4
53.95358	1.7
55.05516	12.2
57.07067	5.4
65.03946	2.0
67.05505	17.0
69.03445	2.9
69.07022	25.5
69.07410	4.1
71.04995	22.5
79.05492	20.3
81.06583	3.9
81.07055	71.0
83.04990	3.9
83.08611	5.8
85.06545	3.9
91.05466	13.2
93.07044	46.2
95.04991	3.7
95.08608	38.4
97.06529	2.7
97.10162	2.6
99.08092	5.5
103.05441	2.3
105.04408	2.0
105.07036	39.2
107.07858	3.5
107.08593	61.9
108.33288	2.1
109.06542	6.2
109.10153	27.0
111.08076	3.6
111.59483	1.7
113.09703	4.4
117.07007	4.0
119.08583	63.9
121.10156	13.4
121.93743	1.9
123.08072	7.7
123.11706	17.5
127.11156	4.6
131.08577	3.1
133.10133	37.3
135.11690	100.0
136.11987	4.3
137.09637	2.9
137.13275	3.1
145.10136	6.3
147.11690	21.3
149.02374	6.0
149.13264	11.7
151.11182	6.1
157.10175	1.8
159.11772	3.5
160.12465	2.2
161.09598	3.0
161.13260	33.2
163.11253	3.4
163.14777	3.4
165.09134	3.5
165.12830	3.4
175.11124	4.0
175.14871	8.2
179.01526	2.1
185.13223	3.1
203.10628	3.4
203.14293	7.8
203.17961	37.1
206.16254	3.1
221.11757	3.3
221.15466	16.7
221.18993	53.2
221.21381	2.9
221.22113	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03945	3.2
55.05507	12.7
57.07060	3.2
59.05000	2.3
60.52809	1.1
63.91015	1.3
65.03931	1.4
67.05501	12.7
69.03412	1.5
69.07073	15.2
69.18405	8.0
71.01353	1.3
71.04611	1.5
71.04996	26.1
79.05495	17.2
81.07056	65.7
83.05000	1.6
83.08620	8.6
85.06516	2.8
91.05476	12.4
93.07040	42.2
95.04955	3.5
95.08604	35.1
97.06538	2.1
97.10148	4.4
98.22500	1.8
99.08071	2.3
102.03383	1.2
105.07030	28.6
107.08595	68.9
108.08910	2.7
109.06514	3.8
109.09452	2.2
109.10157	28.5
111.08065	3.7
111.11702	2.3
113.09616	2.1
117.07020	2.8
119.08581	43.3
121.06496	2.8
121.10139	11.6
121.46409	1.1
123.08073	4.1
123.11705	16.6
125.09660	3.2
125.81876	1.1
127.11175	5.2
131.08575	1.3
133.09218	2.0
133.10124	24.3
135.11693	100.0
136.12036	3.3
137.09602	7.4
137.13249	4.6
145.10092	3.2
147.11687	25.4
149.13242	9.6
151.11192	6.2
151.14876	1.4
159.11656	1.3
160.12489	1.1
161.13242	13.9
163.14832	5.7
165.12775	3.6
175.08749	1.3
175.14813	8.3
177.12685	2.9
177.16402	4.4
203.14252	1.7
203.17952	43.1
204.18269	2.4
206.11002	1.3
206.16298	1.4
221.09715	1.3
221.11723	1.6
221.15373	5.4
221.18993	72.6
222.19342	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	223.1329
Annotation	Placidene C
Peak:m/z	Relative Intensity
53.03934	0.6
55.01860	1.0
55.05511	6.6
57.03418	0.4
57.07035	0.3
59.04982	0.8
63.77122	0.2
65.03939	0.9
66.04723	0.5
67.05186	0.4
67.05505	5.5
69.03408	0.5
69.07069	5.3
71.04977	0.3
71.35072	0.2
72.26367	0.3
73.06541	0.5
73.84532	0.3
79.05493	3.9
81.03418	11.2
81.07055	4.7
83.04972	0.7
83.08620	2.7
85.06530	0.6
87.08079	0.4
91.05467	2.7
93.07038	3.2
94.04185	4.8
95.04970	12.3
95.08619	2.0
97.06525	0.4
101.87232	0.3
105.07006	1.6
107.04959	5.8
107.08597	1.4
109.06534	1.3
109.10136	0.5
111.08089	0.3
115.38751	0.3
117.07037	1.6
119.08575	1.0
119.12533	0.2
121.06487	0.9
121.10114	0.8
123.08066	0.6
131.08563	1.8
133.06351	0.3
133.10094	0.8
135.08029	0.5
135.11673	0.3
141.06941	0.4
143.08546	0.4
145.10114	1.0
149.02335	0.6
158.10858	0.3
159.11681	0.4
163.11099	0.4
164.75319	0.3
165.06961	0.3
173.13261	1.0
175.14713	0.3
179.08481	0.3
181.10074	0.4
193.10123	1.2
194.10876	0.3
195.11696	0.4
205.12206	1.3
208.12454	0.8
223.13277	100.0
224.13608	3.2
229.18501	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1329
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
50.93306	1.7
53.03942	4.3
53.34351	1.4
55.05507	10.0
57.03429	4.1
57.07068	5.9
57.67443	1.5
59.05000	5.1
65.03946	2.5
67.05510	20.2
69.03431	70.4
69.06723	2.4
69.07063	17.5
69.36534	5.2
69.36942	2.6
71.04996	11.6
73.06531	3.0
79.05486	18.6
79.28971	1.3
80.05016	4.6
81.03413	4.6
81.07057	35.8
83.04980	7.5
83.08632	8.4
84.04501	4.2
85.01192	1.6
85.02908	6.6
85.06548	5.5
87.04459	1.5
91.05479	12.1
93.07043	42.7
94.02930	5.8
94.06550	2.0
95.01348	3.7
95.04965	17.3
95.08606	54.4
97.02889	100.0
97.06529	15.0
99.04466	4.4
99.08105	2.0
100.45148	1.7
105.07025	21.3
107.04951	5.6
107.07874	2.2
107.08597	30.9
109.06522	21.4
109.10149	14.7
111.04424	16.7
111.05568	8.7
111.08092	9.0
111.11704	2.9
113.94610	1.4
115.05476	1.4
116.78387	1.6
117.07043	7.5
119.08576	13.2
120.08136	2.2
121.02845	1.6
121.06500	5.2
121.10143	43.9
122.06042	1.6
123.08076	27.4
123.11650	2.5
125.05990	6.3
125.09611	4.7
129.06998	2.4
130.07738	2.7
131.08586	8.4
133.10159	2.6
134.06015	5.1
134.08565	2.0
135.08081	5.0
135.11696	23.8
137.09612	11.0
139.07585	2.7
139.11185	13.4
141.59294	1.4
145.06473	1.7
145.10126	22.8
146.30504	1.4
147.08046	5.6
147.11748	2.5
149.02290	10.4
149.07127	6.1
149.09601	6.8
149.13281	4.5
150.05573	1.9
151.11194	2.0
152.06226	2.5
153.09120	2.0
153.12773	9.6
159.08061	2.4
159.11697	5.5
161.09659	1.7
161.13287	2.3
163.05118	3.4
163.07507	3.0
163.11177	21.3
165.06996	3.2
165.09100	22.6
167.08517	3.8
167.10677	1.5
177.06676	4.5
177.12805	5.4
177.16403	2.4
178.05006	3.8
181.12231	76.3
187.07515	1.6
187.11159	2.5
194.07254	2.0
195.07835	9.2
195.11893	1.7
205.06444	2.5
205.12276	7.0
205.15918	3.2
208.08728	1.6
223.07506	21.5
223.11153	5.1
223.13173	34.9
223.16925	6.1
224.09143	1.7
225.04291	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	223.1328
Annotation	2-Hydroxyibuprofen
Peak:m/z	Relative Intensity
53.03948	3.0
54.58242	1.0
55.01869	2.7
55.05511	15.4
56.96571	2.2
57.03442	3.7
57.07077	2.6
59.05011	1.7
61.02934	1.8
65.03926	1.9
67.00845	1.1
67.05508	12.2
69.03429	10.7
69.07064	5.0
69.38098	5.9
70.06598	1.2
71.01366	8.4
71.04988	2.7
79.05492	10.4
80.05022	5.1
81.03426	3.5
81.07053	12.7
83.04980	100.0
84.04517	1.6
84.05288	1.6
85.02904	17.7
85.06543	10.2
91.05479	15.5
93.07044	23.5
94.02931	2.0
95.04964	5.6
95.08601	25.0
95.09169	1.9
97.02893	5.2
97.05922	1.7
97.06536	25.3
97.10222	1.7
98.23315	2.3
98.97577	9.3
99.04478	2.8
101.06006	1.4
103.05469	2.1
105.07028	15.4
107.04961	2.3
107.08602	17.7
109.02886	1.2
109.06516	7.8
109.10172	3.3
111.04440	2.3
111.05576	4.1
111.08078	2.4
115.05472	2.4
115.07557	1.3
116.98647	3.7
117.07024	7.7
119.08579	42.2
121.02882	1.6
121.06525	10.4
121.10143	16.4
123.08067	10.5
125.06026	3.9
125.09654	3.2
127.03922	3.1
128.06175	1.1
129.05478	16.2
129.07002	2.5
130.07826	1.9
131.06940	1.4
131.08572	12.5
133.10132	6.9
134.05997	1.9
135.04399	1.2
135.08049	10.6
135.11685	25.7
137.05989	1.9
137.09612	6.2
137.76840	1.4
139.07607	1.8
143.07040	23.5
144.09334	5.9
145.04958	4.9
145.06512	1.6
145.10109	5.3
147.08075	2.6
147.11708	3.3
149.02313	6.2
149.09607	11.2
149.13298	3.0
150.05452	1.3
151.07544	1.5
151.11131	2.6
157.10139	1.4
158.99683	3.9
159.08072	1.9
159.11693	37.8
161.09662	4.9
161.13326	1.4
163.07483	2.2
163.11185	8.4
165.04993	1.3
165.09099	2.4
167.07089	1.6
173.13335	1.5
175.11185	4.6
177.00708	2.5
177.07642	1.6
177.09074	2.6
177.12740	17.7
179.10701	2.5
181.08601	1.8
186.05489	1.4
187.11130	6.1
195.07784	2.3
195.13660	1.1
205.04893	1.9
205.12234	27.6
223.05763	2.1
223.08951	1.9
223.11098	2.6
223.13257	34.2
223.16751	1.7
224.09209	3.4
225.04344	4.9
226.14822	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.133
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
53.03933	5.7
55.01859	4.1
55.05511	37.0
57.03427	3.1
57.07075	2.3
59.04982	3.3
59.10166	2.3
60.04498	8.6
63.99132	2.4
67.05507	18.6
69.03444	19.4
69.07062	11.5
70.18512	2.5
70.46254	7.7
71.04997	25.7
74.71068	2.6
79.05132	2.3
79.05495	25.1
80.05009	28.8
81.03429	3.6
81.07073	23.3
83.04981	81.1
84.04494	4.5
85.02917	14.7
88.82304	2.7
91.05479	44.1
93.05775	2.6
93.07044	39.0
94.06573	3.0
95.04973	15.2
95.08045	3.5
95.08611	44.4
97.02905	2.7
97.06533	34.8
98.22628	2.8
99.04451	16.2
99.08060	8.0
102.48451	2.3
105.07024	23.3
107.04960	3.3
107.08598	38.8
109.02878	3.9
109.06525	18.2
109.10146	12.4
110.06002	2.8
111.05545	3.6
111.08065	5.3
111.34254	2.3
115.05459	5.3
117.06998	9.2
117.25882	2.2
117.67695	2.2
118.06552	6.7
119.04911	2.5
119.08592	41.3
121.06503	25.4
121.09325	3.0
121.10143	41.6
123.08073	46.5
123.51001	2.3
125.05978	13.6
125.09580	8.5
129.05461	8.4
129.06992	6.5
130.07756	8.2
131.08578	13.7
133.06551	2.3
133.10088	7.2
135.08054	57.8
135.11670	21.1
136.07549	5.5
137.05952	3.2
137.09639	15.0
138.05447	4.1
139.07509	2.9
139.11166	3.6
143.07014	8.2
144.06569	10.5
144.09351	8.0
145.10124	21.1
147.08063	13.7
147.11673	3.6
149.02330	5.3
149.05966	5.3
149.09563	5.9
149.13239	11.6
153.09106	2.3
159.08023	3.0
159.11690	54.4
161.09625	5.0
163.11180	52.6
164.07042	6.8
165.09070	21.4
167.06937	2.9
175.11186	8.0
177.12761	41.0
178.08580	7.4
179.10732	2.4
181.08574	8.9
181.12253	16.1
187.11156	7.7
193.12201	3.1
205.12233	25.6
223.11052	5.7
223.13251	100.0
224.07182	3.1
224.09183	35.5
225.04254	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	223.1329
Annotation	2-Hydroxyibuprofen
Peak:m/z	Relative Intensity
53.03944	3.3
55.01875	6.1
55.05523	17.4
57.03423	5.4
57.07062	2.5
59.05005	6.2
60.74025	2.4
65.03936	4.1
67.05504	22.6
67.12428	2.1
69.03425	25.7
69.07066	9.8
70.06579	2.8
71.04994	13.6
71.28654	4.8
73.06548	3.2
79.05500	17.4
81.03414	5.1
81.07054	16.4
83.04991	23.9
85.02901	14.8
91.05485	32.9
93.07047	38.0
94.02915	4.6
94.06584	3.4
95.04974	17.1
95.08612	31.0
97.02881	3.3
97.06541	10.8
98.97561	4.3
99.04482	8.2
99.08128	2.1
103.05453	3.5
105.07027	45.2
105.07680	4.0
107.04922	7.4
107.08591	46.4
109.06525	13.2
109.10170	9.9
111.04442	3.8
111.05566	5.9
111.08076	3.2
115.05463	6.2
116.98641	3.3
117.07030	19.6
119.08588	100.0
121.02936	2.6
121.06518	30.5
121.10149	41.3
123.04448	8.3
123.08075	29.5
123.11699	3.1
125.06031	4.8
125.09643	4.3
128.06250	3.8
129.05530	3.1
129.07004	7.6
130.07828	6.6
131.08597	17.5
133.06502	4.5
133.10182	11.4
134.06047	6.1
135.08057	47.1
135.11687	48.3
137.06039	5.2
137.09622	18.8
139.07565	6.3
141.06915	2.5
143.08615	4.2
144.09349	9.6
145.06514	3.3
145.10115	35.3
146.10510	2.8
147.08046	19.4
149.02345	13.2
149.05994	6.8
149.07065	2.7
149.09633	11.0
149.13298	7.1
150.05501	3.6
151.07565	4.8
153.09122	9.8
157.10216	3.3
159.08067	10.0
159.11696	56.5
161.09653	9.8
163.07574	7.1
163.11185	61.1
164.11600	3.0
165.09108	29.2
167.07100	3.9
169.10056	2.5
172.08867	7.9
175.11188	4.1
177.06718	3.0
177.09077	4.8
177.12740	39.2
179.10588	5.6
181.12256	8.5
187.11174	24.6
195.07872	4.3
205.06557	2.5
205.08539	5.7
205.12248	41.2
223.07463	4.4
223.09457	4.4
223.11133	4.2
223.13219	58.0
223.16687	3.0
224.09346	3.8
225.04260	10.1
227.02139	2.8
243.15530	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	223.2056
Annotation	(2E,6E)-Farnesol
Peak:m/z	Relative Intensity
53.03943	1.3
55.01879	0.9
55.05511	23.6
57.03432	1.0
57.07078	8.5
59.04993	1.0
67.05502	12.9
69.03433	4.0
69.07067	100.0
69.97530	3.3
70.07387	2.1
71.04992	2.3
71.08622	1.0
73.06553	4.7
78.01833	0.7
79.05491	8.1
80.05037	1.5
81.03436	1.7
81.07055	28.3
83.04983	1.5
83.08617	22.9
83.09117	1.2
85.06543	6.7
91.05493	3.6
92.30999	0.7
93.07042	20.8
95.04972	3.9
95.08607	32.6
96.08945	1.2
97.06532	11.7
97.10170	7.5
99.08107	4.2
105.07059	3.6
106.06580	0.9
107.08593	23.7
107.09294	1.7
109.06535	1.0
109.10159	23.5
111.04471	0.8
111.08094	3.0
111.11709	2.2
113.09611	4.4
113.21735	0.7
117.07045	1.1
119.08556	1.6
121.10139	15.2
123.11693	11.5
125.09628	3.3
125.13280	1.2
128.93188	0.7
131.08554	1.7
135.11690	16.9
136.67432	0.7
137.13245	6.5
138.67253	0.8
139.11186	11.0
145.10123	1.0
149.02318	4.6
149.13257	18.8
153.12758	6.1
163.11174	1.8
163.14818	3.3
178.05106	0.8
192.32330	0.7
195.08011	2.2
205.19461	4.8
207.09174	1.3
208.10043	1.3
223.07654	3.8
223.13057	4.0
223.16919	2.5
223.20544	24.5
224.09239	1.8
224.12776	1.0
224.20975	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0919
Annotation	N-acetyl-DL-tyrosine
Peak:m/z	Relative Intensity
53.03946	3.2
55.01871	1.1
55.05505	2.6
57.03440	5.3
60.04526	22.8
65.03948	1.2
67.05500	1.6
68.05033	1.1
69.03436	0.7
69.42737	3.0
71.04995	22.0
79.05486	2.4
80.05017	80.1
81.03416	2.2
81.05346	0.8
81.07043	1.1
82.06599	1.3
83.05000	2.9
84.04488	2.1
84.05316	1.0
85.02898	5.5
91.05482	42.9
92.04995	1.8
92.05813	1.1
93.05800	3.2
94.06583	3.8
95.01338	0.9
95.04976	4.2
95.08617	1.2
96.04495	1.1
96.05332	0.6
96.08985	0.8
97.02898	1.1
97.06516	1.1
98.06062	0.9
98.06879	0.9
98.23322	1.1
99.04456	21.4
99.05107	1.2
103.05449	1.0
104.04955	0.6
105.07035	2.2
106.06560	7.8
106.07280	1.0
107.04947	0.9
107.07352	0.7
107.08627	1.2
108.04476	0.7
108.08119	4.2
108.08870	1.0
109.02889	2.0
109.05301	1.3
109.06520	1.3
110.06046	3.7
111.04432	0.7
115.05474	0.6
117.05721	1.5
118.06547	23.0
119.04942	11.7
119.08591	0.6
120.08105	3.1
120.08885	1.2
121.06471	0.6
121.10110	0.7
122.06024	1.6
122.09655	1.6
122.10496	0.6
123.08080	1.3
124.08424	0.7
125.05976	0.7
126.05524	0.7
127.03905	2.0
130.05020	0.8
132.08087	6.1
133.06479	1.9
134.06030	2.0
134.09644	2.1
135.04442	0.7
135.08080	0.9
136.07561	12.9
136.08411	1.0
136.12061	0.6
138.05502	12.2
145.04968	3.5
146.06091	0.6
147.04384	2.6
148.07594	1.5
150.05434	0.8
150.09157	11.1
154.05031	1.0
160.07530	1.3
160.12062	1.2
160.78133	0.6
162.09129	0.8
163.11200	0.8
164.07060	15.1
164.09167	0.6
164.11504	1.5
165.05450	0.9
176.07071	0.7
178.05083	1.0
178.08617	13.7
178.10039	1.0
178.13078	1.1
182.08107	1.1
194.08173	3.7
194.83157	0.6
196.09715	4.8
206.08128	1.9
206.12520	0.8
224.09169	100.0
224.13554	2.7
225.09491	2.8
226.04321	1.0
234.40947	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1283
Annotation	Maokonine
Peak:m/z	Relative Intensity
53.03935	1.5
55.05507	1.8
55.24142	0.7
56.96555	3.1
57.03424	1.2
58.06588	3.6
59.04994	2.0
60.31125	0.8
60.39952	0.8
60.96857	0.7
65.21291	0.7
67.05500	2.0
68.05029	2.4
68.13454	0.8
69.03445	0.9
71.04976	1.5
71.07245	0.8
71.28912	1.0
76.07626	0.8
79.05497	5.3
80.05020	4.3
81.03414	2.7
81.07067	1.5
82.06572	2.2
84.04504	2.1
85.02899	1.6
91.05473	11.5
93.07056	1.8
94.06547	3.2
95.01316	1.4
95.04969	6.0
98.97581	1.1
99.00580	0.8
99.04456	1.7
103.05473	13.2
105.07036	37.8
106.06512	1.4
106.07319	1.2
107.04961	5.6
108.08086	0.9
109.02870	1.8
109.06532	1.9
110.06020	1.6
115.05438	1.2
116.98608	1.2
117.07017	1.9
118.06555	14.8
119.04956	1.5
119.07342	1.1
119.08591	0.8
120.08111	23.0
121.02900	0.9
121.06511	0.8
123.04483	1.1
124.93636	0.8
126.05559	1.1
128.06235	7.7
130.06570	3.6
131.04930	4.3
131.07318	3.5
131.08525	1.8
132.08086	3.1
133.06531	1.3
134.06053	1.1
134.99640	1.3
136.07550	3.3
137.02744	1.1
137.06003	5.5
138.05547	1.9
143.08569	3.9
144.08112	1.3
145.04993	1.1
145.08873	1.6
148.07568	0.9
150.05446	1.3
150.09180	1.5
155.06067	1.0
160.11226	100.0
161.11581	2.3
164.07010	4.3
178.04970	0.9
178.08705	2.9
178.12279	81.3
179.12653	1.6
189.05396	1.3
192.06589	1.1
196.09790	1.1
201.00883	0.8
201.04367	1.9
206.08055	1.7
206.11752	10.5
219.05331	1.4
224.09328	7.5
224.12819	25.5
224.16257	1.2
225.07541	1.9
226.04332	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	225.0092
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	9.7
62.54323	0.8
69.95247	2.4
69.95586	0.9
71.95270	1.4
74.93163	1.5
82.99865	2.7
98.23338	1.2
98.97575	18.6
101.00876	21.7
107.34499	0.9
114.46600	0.8
116.98629	9.1
119.01923	58.7
120.02061	1.9
121.01707	1.0
124.99113	1.9
134.99806	6.1
137.02957	11.3
140.98843	3.0
142.01740	2.0
142.03477	0.9
153.00960	1.8
158.97243	1.3
158.99893	11.9
159.99937	1.6
160.04533	1.3
161.01241	0.9
168.98082	1.0
172.04532	1.2
174.97662	1.5
175.01831	1.6
175.03143	1.5
177.00948	100.0
178.01045	11.4
182.99892	2.2
186.99260	2.5
195.02025	1.3
201.00885	7.3
201.02501	0.9
202.00937	1.4
205.00204	1.0
214.03227	1.1
215.02557	1.3
217.04070	12.9
219.02005	95.9
220.02132	17.2
221.01910	1.8
224.96733	1.3
225.00929	4.6
243.01945	18.6
243.04129	1.5
245.03459	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0759
Annotation	Sinapate
Peak:m/z	Relative Intensity
51.02390	0.8
53.03946	3.2
55.01880	6.4
55.05515	1.8
55.09229	0.7
55.99952	0.8
56.96563	1.4
57.03434	4.5
61.02933	4.5
65.03942	4.7
67.05511	8.1
68.99795	1.7
69.03430	5.5
69.07053	0.8
69.37212	3.8
71.01363	4.7
73.02918	5.5
77.03941	0.9
79.05070	1.3
79.05502	19.1
81.03426	10.5
81.04506	0.8
81.07061	8.6
82.06606	1.3
83.01336	1.0
83.04984	4.6
84.04506	0.9
84.08150	12.8
85.02921	5.3
87.00876	0.7
91.05487	16.1
93.03419	2.5
93.07085	3.9
95.04974	100.0
95.08604	2.4
96.05323	1.5
97.02906	4.7
97.06532	2.7
98.23399	0.9
99.04440	1.4
101.02389	1.9
103.03947	6.8
103.05483	3.6
105.03439	1.4
105.04534	1.1
105.07036	14.8
107.04956	22.8
108.05773	0.9
109.02888	17.1
109.06526	13.9
111.04424	3.4
113.02362	1.7
115.05471	4.5
117.07047	1.0
119.04940	10.9
121.02879	14.1
121.06522	3.8
123.04440	9.6
123.08036	2.0
125.02379	0.9
125.06017	2.4
129.01819	1.3
130.05104	0.7
131.04921	3.3
133.02840	1.2
133.06490	11.9
134.09654	1.7
135.04428	16.9
137.02327	0.8
137.05989	13.0
137.07031	1.0
143.04967	1.4
147.04411	3.7
149.05969	2.8
151.03917	1.8
151.07565	2.6
153.05493	1.5
159.04427	2.4
161.05983	10.9
161.10777	3.4
163.03935	2.5
165.05464	5.8
177.05460	4.8
179.07063	3.8
179.11832	2.8
189.05470	4.0
207.06503	7.9
225.04272	1.5
225.07567	14.7
225.12627	1.1
225.14859	1.4
246.05115	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0757
Annotation	Sinapate
Peak:m/z	Relative Intensity
53.03947	4.3
55.01871	8.9
55.05499	1.0
57.03429	5.8
61.02924	5.9
65.03944	5.2
67.05502	9.1
68.99797	1.1
69.03432	14.8
69.30869	4.0
69.31278	1.7
71.01342	4.6
73.02914	3.9
77.03943	1.5
79.05487	20.6
79.05914	1.7
81.03416	19.7
81.07057	9.4
83.01340	1.2
83.04978	7.1
85.02898	7.1
91.05484	16.2
93.03395	3.3
93.07049	4.5
94.54633	0.8
95.04967	100.0
95.08598	2.5
96.05297	1.9
97.02900	8.4
97.06532	2.7
99.04463	1.5
101.02378	2.5
103.03935	4.9
103.05470	5.1
105.03392	1.5
105.04530	1.6
105.07026	20.2
107.04949	25.9
109.02872	25.9
109.06505	15.4
111.04447	5.2
113.02378	1.9
115.05448	5.3
117.07011	1.3
119.04946	13.6
121.02859	17.1
121.06547	6.5
123.04426	10.7
123.08075	3.4
125.06008	1.8
127.03918	1.7
131.04916	8.0
133.02849	2.3
133.06497	15.8
135.04408	28.5
136.05197	0.9
137.05974	11.7
141.05457	1.8
143.04868	1.2
144.05254	2.8
147.04404	7.1
149.05925	4.4
151.03929	2.5
151.07544	3.6
153.05649	3.7
159.04443	4.4
161.05965	16.2
163.03915	4.5
165.05463	6.5
166.06219	1.1
171.04417	2.0
177.05484	8.7
179.07005	8.5
189.05490	4.9
195.06496	1.9
207.06490	9.3
225.07558	26.9
232.28375	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.0
55.01885	7.2
55.05161	2.3
55.05507	6.0
57.03440	3.5
59.05011	2.3
64.93124	2.0
65.03942	2.7
67.05506	26.7
69.03406	3.1
69.07069	6.0
70.90385	5.3
71.04997	12.8
79.05496	22.6
81.02414	2.1
81.03413	4.0
81.07058	17.3
83.04984	4.9
83.08612	4.8
84.04522	6.6
85.02898	4.8
85.06553	6.3
86.06038	2.9
91.05490	29.7
93.07050	7.0
95.04967	14.4
95.08627	9.3
96.04514	4.4
97.02964	2.4
97.06547	7.8
99.04475	6.8
101.06070	3.1
105.03393	25.7
105.07037	32.0
107.04963	100.0
107.08608	5.9
109.06532	4.2
109.10146	8.6
109.54088	2.2
111.08092	4.5
115.05499	4.0
117.07028	21.4
119.04969	4.8
119.08595	16.2
121.02898	4.0
121.10159	2.9
123.08038	4.0
123.11725	3.5
125.05970	2.5
128.06230	7.3
129.07007	3.4
130.04996	10.6
131.08583	2.7
133.06505	9.8
133.10127	24.9
134.05971	13.6
134.31763	2.1
138.02408	2.1
140.78162	2.0
141.07050	4.2
143.08580	14.2
145.06517	15.6
147.08101	6.1
149.09525	2.7
151.11125	3.2
152.07083	2.7
153.06996	2.7
161.09639	37.2
163.11183	2.8
169.10127	3.7
171.08060	16.2
180.06581	4.8
183.11758	4.4
189.09135	10.0
195.08031	2.9
199.10211	2.2
207.17578	3.3
222.82278	2.2
225.05548	3.9
225.09109	6.6
225.12845	3.8
225.14812	6.8
225.16606	5.2
245.15356	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	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03946	7.2
53.41565	4.0
55.01868	6.5
55.05516	23.2
57.03435	18.3
59.05001	19.4
60.74232	4.6
62.38887	4.7
67.05508	24.2
69.03436	20.1
69.07076	23.9
69.45825	14.2
69.46232	11.6
71.04994	9.3
79.05488	31.8
81.07055	47.1
83.04988	10.3
84.04482	11.3
85.02905	91.8
85.06567	8.4
91.05484	47.6
93.07043	37.6
95.04951	24.1
95.08604	44.7
96.04507	19.8
97.06525	14.8
99.04454	12.4
101.05995	23.7
103.05457	5.2
105.07024	71.7
106.06594	12.4
107.04964	6.3
107.08596	62.0
108.05704	4.6
109.06541	16.6
109.10182	10.8
110.06059	5.8
111.03159	5.7
111.08109	16.1
112.03970	22.5
114.05540	7.6
115.05489	5.2
117.07009	6.5
119.04959	17.7
119.08580	100.0
121.06515	19.9
121.10136	31.6
123.08056	93.4
123.11698	16.5
124.07590	4.5
125.05994	6.3
126.05548	18.1
129.07002	5.0
130.04999	9.8
131.08572	12.5
133.10130	19.0
134.06026	42.5
135.08069	21.7
135.11674	11.5
137.09621	18.1
138.05504	16.9
139.07535	4.7
141.07016	7.0
145.10156	6.9
147.04410	11.9
147.08035	14.2
147.11671	90.4
149.09639	7.4
152.57309	5.9
156.09395	8.5
159.11684	25.1
161.13258	35.2
162.05434	10.0
163.11183	8.6
165.12796	23.5
166.08661	20.9
169.10199	5.5
171.11696	6.4
175.03954	16.8
177.12746	12.4
179.14311	8.0
180.06607	9.6
180.10231	9.7
189.12740	17.8
192.04176	5.4
194.08128	43.5
197.06093	7.0
207.06560	20.7
207.13788	32.2
225.05492	9.2
225.12839	7.3
225.14951	13.0
226.10800	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	225.1487
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03942	3.5
55.01869	3.2
55.05511	14.5
57.03438	4.3
57.07063	2.2
59.05014	2.7
65.03937	2.4
65.65875	1.0
67.05510	16.6
67.17856	1.1
69.03431	15.7
69.07076	7.6
70.32185	3.2
71.04994	18.7
77.03938	1.2
79.05501	20.7
79.98255	0.9
81.03429	2.2
81.07068	12.8
83.04984	16.2
83.08606	1.6
85.02890	2.7
85.06535	1.2
86.95054	1.0
91.05482	23.7
93.07047	28.5
95.04980	6.2
95.08622	13.9
97.02902	1.9
97.06541	4.1
98.23260	1.3
99.04449	12.1
103.05477	3.8
105.07035	47.2
107.04970	7.7
107.08599	30.7
109.06524	37.0
109.10159	18.1
111.08081	3.8
115.05441	1.9
116.06243	2.1
117.07030	4.1
119.04963	1.1
119.06070	2.3
119.08583	50.7
121.06521	18.1
121.10149	63.0
122.10480	1.2
123.08079	17.8
123.11724	5.0
125.05984	1.4
125.09628	3.4
128.06244	2.4
129.07001	2.9
130.04987	1.5
130.07780	1.4
131.08592	12.1
132.05760	1.4
133.06509	4.7
133.07576	2.6
133.10127	19.3
134.06017	1.4
135.08066	32.6
135.11699	4.2
137.09621	56.6
137.13246	3.5
141.06981	3.0
143.08546	6.2
145.06508	1.9
145.10146	9.6
146.07292	1.1
146.10965	1.2
147.08049	30.4
147.11690	27.2
149.09627	100.0
150.09966	1.5
151.07573	6.7
151.14862	2.0
152.08331	4.0
153.09120	15.2
154.07735	1.3
155.08533	1.4
156.09366	11.2
159.08066	5.7
159.11717	2.4
160.08856	3.6
161.09622	6.7
161.13271	25.6
163.11177	8.1
165.09097	2.2
165.12767	11.9
169.10115	1.4
171.11688	12.6
174.10388	6.4
179.08586	1.2
179.14323	11.8
180.06532	1.4
189.11020	1.7
189.12755	34.3
197.09555	1.4
207.08060	1.0
207.13727	9.6
225.09200	5.4
225.10977	1.4
225.12938	1.3
225.14781	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	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
55.05499	5.6
57.07070	4.0
59.04995	8.3
62.58602	2.9
65.42104	2.3
67.05505	26.3
69.03433	5.3
69.21588	19.3
71.04978	3.8
72.46870	2.8
77.42499	2.7
78.73715	2.6
79.05489	6.0
81.07047	5.5
83.04968	3.0
85.06537	11.8
91.05486	4.9
93.07030	8.9
95.04949	3.6
95.08601	100.0
96.08961	3.9
99.04433	3.2
101.06044	4.9
105.07016	8.1
105.58044	2.6
107.08586	11.3
109.06499	3.5
113.06016	7.7
119.08601	14.9
121.10143	8.1
123.08056	37.7
123.11736	4.0
130.05000	3.8
133.10106	2.7
134.06094	3.2
135.11681	10.5
141.09131	6.2
147.11696	6.0
149.09605	16.5
151.07471	2.8
161.13196	5.2
163.11192	3.5
165.12787	4.5
179.14320	4.7
189.12727	7.8
202.49582	2.6
207.13794	11.6
225.07227	3.3
225.11116	3.5
225.14671	5.8
246.40417	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	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03942	4.7
55.01877	30.2
55.05515	24.8
55.24791	2.6
56.71904	2.7
57.03154	2.5
57.03438	8.5
57.07062	5.5
59.04991	6.3
61.02914	3.7
67.05505	40.6
68.05018	5.1
69.03441	16.6
69.07065	19.2
71.01344	4.3
71.04991	31.8
71.29546	3.9
72.04500	4.6
79.05486	17.3
80.05007	4.3
81.03435	4.9
81.07053	51.7
83.04984	23.2
83.08627	12.6
84.04504	19.9
85.02902	29.8
85.06544	17.0
86.06089	4.2
87.04488	8.2
91.05477	22.7
93.07039	39.0
95.04968	16.7
95.08604	100.0
96.04527	4.1
97.02879	4.6
97.06519	22.6
97.10159	4.0
99.04452	19.9
99.08108	8.1
100.11258	39.3
101.06049	3.7
105.07034	47.7
105.07677	4.5
107.04955	5.9
107.08587	33.7
109.02857	3.7
109.06512	38.9
109.10163	20.4
111.04465	7.0
111.08058	17.6
113.05991	7.3
115.05505	5.0
117.07015	5.0
119.08577	46.5
121.06534	10.3
121.10142	53.0
123.08066	82.8
123.11719	17.7
125.09634	6.7
127.07555	4.8
130.05026	9.8
131.08557	6.5
133.10187	15.8
134.06004	7.1
135.08044	10.1
135.11662	15.5
136.07581	3.4
136.11214	8.7
137.05989	3.0
137.09622	23.7
137.13211	4.9
139.07562	5.0
139.11165	5.8
141.07028	8.6
141.09073	7.0
145.10188	8.0
147.08058	7.2
147.11679	41.4
149.09605	66.5
149.10707	4.9
151.07542	8.9
151.11163	6.0
152.07033	2.8
153.09113	7.0
154.12270	25.8
155.08624	3.4
161.09607	9.9
161.13248	20.8
163.11214	13.1
165.09114	6.5
165.12756	48.9
167.10674	4.7
169.06534	3.9
169.10185	5.7
171.11713	8.3
171.14935	7.2
174.10315	4.9
179.08571	7.8
179.14339	10.4
180.06566	3.9
181.06483	3.0
181.12207	8.2
182.07352	8.5
183.08110	4.7
183.13802	18.3
189.09084	4.8
189.12706	19.1
197.06010	6.9
197.09647	5.9
207.08090	4.3
207.13763	44.3
225.05495	12.1
225.09193	17.6
225.12692	5.6
225.14931	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	225.1486
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
53.03941	1.6
55.05513	6.7
57.03445	4.3
57.07067	0.9
66.44625	1.0
67.05511	9.5
69.03429	3.5
69.07066	3.6
69.20747	5.4
71.04990	4.2
79.05473	7.3
80.05009	1.2
81.03424	1.4
81.07049	11.1
83.04982	20.1
83.08609	1.0
84.04502	2.1
85.02912	2.6
85.06549	2.4
91.05479	6.7
93.07046	8.9
95.04954	7.1
95.08607	12.9
96.04487	2.1
97.02869	1.3
97.06535	4.6
97.10189	1.0
99.04458	1.7
99.08094	11.7
101.06037	1.7
105.07039	9.4
107.04987	2.1
107.08592	10.5
109.02905	1.6
109.06519	27.3
109.10178	3.1
111.04444	13.0
111.08109	1.6
113.09625	1.3
117.07027	1.3
119.08585	9.3
121.06527	7.5
121.10135	13.8
123.08067	100.0
123.11687	2.3
124.08414	1.6
125.09623	6.9
127.07593	2.2
130.05045	3.3
131.08575	1.2
133.10141	4.3
134.06049	2.5
135.08060	1.2
135.11703	3.2
137.06012	1.3
137.09599	4.9
139.07536	1.2
139.11192	1.0
141.06937	1.2
141.09091	2.3
145.10165	3.1
147.08104	1.0
147.11702	5.7
149.09618	10.3
151.07553	3.6
151.11186	5.3
161.09586	1.8
161.13271	2.7
162.05481	1.5
163.11131	4.5
165.09120	1.0
165.12756	6.0
167.10625	6.4
169.10130	2.8
178.07779	1.0
179.08553	1.9
179.14435	1.7
181.12193	1.8
182.07339	1.1
183.08087	12.1
183.11711	1.7
189.12749	3.3
195.08058	1.1
207.13821	8.9
225.05493	2.8
225.09090	11.9
225.10979	1.4
225.14680	6.5
225.16727	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0701
Annotation	Flurecol
Peak:m/z	Relative Intensity
53.03947	5.2
55.01873	4.0
55.05511	13.0
55.66199	0.4
56.05835	0.6
57.03442	0.6
58.02936	0.7
65.03947	0.6
67.05505	2.7
69.03430	0.8
69.07062	1.9
71.04993	1.6
71.28216	0.8
72.24305	0.4
76.65943	0.4
77.03937	0.5
79.05500	2.9
80.05009	0.6
81.03416	100.0
81.07039	2.7
82.03751	1.1
82.06581	2.5
83.04986	1.6
83.06916	0.5
83.08616	6.5
85.02895	0.7
85.06555	0.6
86.09705	0.7
91.05482	1.8
93.07027	2.1
95.04972	2.2
95.08598	2.0
97.06540	0.8
97.10156	2.3
99.04449	3.6
99.08083	0.9
100.07646	0.5
100.11256	39.3
101.11575	3.3
102.04704	0.9
103.05463	18.7
104.05775	0.5
105.03389	0.5
105.07018	1.0
106.18912	0.5
107.08593	2.9
109.06533	0.7
109.10155	1.3
110.06020	0.8
111.04446	2.3
111.08128	0.5
112.07613	0.6
114.09160	2.8
115.05446	3.7
117.07003	1.2
117.13885	1.3
118.14214	0.6
119.08625	0.8
121.02876	4.4
121.10146	1.4
123.08081	1.2
125.09592	3.0
128.06224	11.9
128.07039	0.6
129.07060	2.1
131.04924	22.3
132.08096	0.6
133.10193	1.0
135.08040	0.9
139.11177	0.5
141.06975	2.2
141.11514	0.9
142.07697	0.5
142.08655	1.7
143.04926	0.9
143.08582	3.4
144.05751	0.8
145.06470	1.3
145.10146	0.5
149.05940	0.6
149.09642	0.5
149.13266	0.5
151.11201	0.5
152.06203	8.1
153.06996	9.5
153.09052	1.1
154.07707	0.6
155.04897	0.8
155.05998	1.2
155.08551	3.0
156.05670	0.7
157.06502	3.6
157.10153	0.8
159.04410	15.9
163.11157	0.4
165.07013	3.2
168.05693	1.8
168.13838	0.8
169.06487	6.9
170.07262	5.4
171.08035	8.0
171.11734	1.0
176.04659	1.4
177.05464	8.8
181.06462	19.8
181.10161	0.8
182.07077	1.4
182.15422	1.6
183.07994	2.5
183.13644	0.5
184.05180	2.9
185.05977	4.6
189.11252	1.2
191.14334	0.7
196.13274	1.2
197.06035	1.4
198.06802	1.1
199.07527	8.7
199.17999	0.9
209.05937	3.9
209.11604	0.9
209.16635	4.1
210.14891	0.8
210.16817	0.8
213.17702	1.0
226.19113	4.8
227.06996	14.7
227.10632	1.5
227.12643	4.4
227.17487	8.1
227.19508	4.7
228.10289	0.6
245.05225	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1277
Annotation	(?)-12-Hydroxy-jasmonic acid
Peak:m/z	Relative Intensity
53.03924	3.4
55.01855	8.7
55.05511	31.7
55.62418	1.9
57.03416	8.7
57.07054	4.9
57.14449	1.8
60.35524	2.1
65.03960	1.9
67.05505	29.3
69.03430	3.1
69.07072	13.3
71.05001	12.4
71.09899	3.3
73.02891	2.8
79.05493	45.9
80.05000	6.2
81.03408	5.5
81.06661	3.3
81.07064	34.1
83.04983	11.2
83.08616	21.0
91.05481	18.0
93.06480	3.4
93.07043	50.6
95.04953	12.0
95.08608	57.1
97.02888	4.4
97.06509	8.5
97.10148	11.8
99.04441	8.2
100.11240	4.9
103.05478	10.6
103.60055	2.1
105.07044	11.6
107.04965	18.4
107.08595	38.8
109.10137	6.0
111.04440	5.4
111.08047	5.2
117.07020	14.4
119.08577	16.9
121.06498	7.4
121.10150	14.7
125.06005	5.0
125.09624	12.4
130.59152	2.3
131.04927	4.3
131.08488	2.3
133.10074	4.1
135.08086	4.4
135.11693	65.2
138.04097	2.0
143.08530	4.4
145.10109	34.6
149.07127	2.1
163.11189	92.6
164.11539	2.3
181.12195	18.0
185.13174	2.8
189.11150	6.2
204.34654	2.3
209.16444	2.4
211.39436	2.1
227.06879	3.0
227.10739	5.4
227.12741	100.0
227.14735	4.7
227.17807	5.7
228.10355	10.2
228.12320	2.9
228.23244	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	227.1278
Annotation	Chloriolide
Peak:m/z	Relative Intensity
53.03939	6.1
55.01866	9.3
55.05504	33.6
57.03431	11.1
67.05503	28.4
68.36044	5.7
69.07072	8.8
70.57465	14.5
71.04988	6.5
79.05497	49.1
80.05013	19.7
81.07050	33.1
83.04987	7.5
83.08614	18.1
91.05447	13.9
93.07037	62.9
95.04972	13.0
95.08614	55.0
97.02912	6.9
97.10075	5.3
98.66732	4.9
99.04449	10.8
100.11263	10.0
103.05463	21.0
105.07024	12.5
107.04949	26.2
107.08594	38.7
109.23871	6.1
116.99843	5.6
117.07020	12.7
119.08553	15.4
119.73922	6.7
121.06533	8.7
121.10156	22.9
125.61970	5.2
128.06194	6.3
129.07047	6.6
133.10124	8.7
135.11687	70.3
143.08598	5.4
145.10130	39.7
145.51796	4.9
163.11195	96.7
171.08012	7.1
171.11682	6.0
181.12198	22.7
182.09628	8.5
209.09277	6.9
227.07037	13.6
227.10672	5.5
227.12740	100.0
227.17793	7.5
228.10196	22.7
228.17448	13.8
246.05280	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	227.1642
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03951	6.5
55.05516	20.9
57.03438	8.7
57.07072	9.9
59.05004	5.2
60.20039	3.1
62.65838	3.2
67.05511	22.3
69.03439	5.3
69.07069	26.9
71.01365	5.6
71.04999	19.8
71.10044	5.5
73.05752	3.3
79.05481	18.9
81.03407	20.7
81.07066	35.0
83.04966	7.6
83.08639	11.6
85.06555	9.2
91.05473	18.1
93.07045	41.9
95.04978	9.9
95.08607	57.6
97.06532	14.8
97.10191	6.9
98.06053	3.9
98.86662	3.0
99.04439	5.3
103.05470	9.6
105.07058	18.2
107.08598	66.1
109.06537	11.4
109.10161	34.5
111.08071	9.0
111.13905	3.0
119.08572	16.1
120.08070	5.9
121.06472	6.3
121.10140	61.1
123.08079	16.2
123.11729	12.4
125.09645	9.9
126.05524	11.3
127.11211	40.9
128.06235	7.0
131.08574	11.8
133.10135	45.5
135.08067	15.8
135.11693	20.0
137.09605	21.8
137.13268	31.9
139.11206	6.5
140.06946	4.3
145.10138	5.8
147.11673	11.4
149.09625	100.0
149.13261	42.2
151.11191	15.4
152.06187	6.7
153.07068	7.0
153.09113	10.5
158.10901	6.4
163.11267	4.8
163.14813	34.0
164.10719	7.4
165.12766	12.6
165.37538	3.5
167.10721	3.6
171.08020	8.9
173.13272	38.1
181.06493	8.4
182.11784	29.3
184.05168	3.7
191.14331	48.1
199.07668	6.5
201.76251	3.3
209.15341	31.8
227.06976	12.8
227.16353	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	227.164
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03939	6.6
55.05510	9.1
57.03439	7.8
58.47003	2.9
59.05000	4.7
64.54644	2.9
67.05508	11.4
69.03428	7.2
69.07078	12.9
69.23789	21.5
71.04990	24.2
73.31754	2.7
74.95596	2.8
79.05495	12.4
81.03419	46.0
81.07055	20.6
83.05000	4.0
83.08619	5.0
85.06551	13.7
91.05497	10.6
93.07051	28.5
94.07453	2.9
95.04967	100.0
95.08615	15.8
96.22465	2.9
97.06542	24.0
97.10191	6.9
98.22575	3.7
99.04472	13.4
99.08109	21.8
100.11262	12.5
103.05476	12.7
105.07022	16.0
107.08601	31.1
109.06512	16.3
109.10163	12.8
111.08086	8.2
113.06018	3.2
115.05482	3.9
115.07534	5.3
117.07020	4.0
119.08579	12.1
121.10162	25.3
123.08041	4.8
123.11731	9.3
125.09641	17.2
127.07578	12.4
128.06245	15.5
129.06993	4.5
131.04967	9.4
131.08595	6.9
133.10136	33.8
135.08067	7.7
135.11661	9.8
139.11163	11.3
143.08626	3.3
143.10597	6.9
147.11714	10.5
149.09586	3.9
149.13274	9.2
151.11186	8.2
152.06221	8.1
153.06999	10.4
153.09116	25.5
157.06503	4.3
159.04405	11.4
162.28333	3.1
163.14842	5.7
165.07094	4.9
165.12758	4.1
169.06526	11.0
170.07251	6.0
171.08061	10.2
171.10196	15.7
173.13231	15.0
177.05414	3.9
181.06406	14.2
184.05380	3.1
191.14316	10.9
199.07562	8.2
199.11266	3.4
209.05730	3.8
209.15276	18.3
219.68050	3.4
227.07100	9.7
227.16348	44.2
228.10211	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	227.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.4
55.01862	8.3
55.05502	10.5
57.03436	5.3
57.07039	3.3
59.05001	4.4
62.00937	2.3
65.03959	3.3
67.05496	8.5
67.47023	2.3
69.03430	5.2
69.07063	14.5
70.06579	4.2
71.04986	24.4
79.05493	11.3
81.02986	3.7
81.03421	39.5
81.07053	20.6
83.04997	4.8
83.08607	5.2
85.02898	3.4
85.06541	6.8
85.70925	2.2
86.09715	3.3
91.05480	8.7
93.07041	26.1
95.04362	5.2
95.04971	100.0
95.08595	13.4
97.06532	40.4
98.23444	5.1
99.04468	22.0
99.08096	19.6
100.11266	34.0
103.05457	9.5
105.07018	11.0
107.04961	4.0
107.08583	21.3
109.06506	18.8
109.10157	9.8
110.09629	2.5
111.08066	8.7
112.03956	3.0
113.09630	2.4
115.05450	3.1
115.07558	31.7
117.07011	4.4
119.08581	8.4
121.02883	4.3
121.10162	18.7
123.08073	3.7
123.11702	5.8
125.05990	5.3
125.09601	8.0
127.07574	12.1
128.06227	13.9
129.06992	5.4
131.04919	10.2
131.08588	5.9
133.10127	35.5
135.08041	9.1
135.11671	7.4
137.09616	3.8
139.11162	10.0
143.08554	7.0
143.10666	4.5
145.06389	4.1
147.11710	5.5
149.09631	4.3
149.13261	7.0
151.11200	6.5
152.06197	9.0
153.05669	2.4
153.07066	14.5
153.09099	28.7
154.08588	2.7
157.06502	24.8
159.04428	4.8
163.11121	2.7
163.14827	5.8
164.10738	5.3
165.07054	4.5
169.06465	5.5
169.13536	2.6
170.07248	3.5
171.08035	18.9
171.10188	8.2
173.13286	13.7
181.06444	28.9
182.11771	6.5
183.08087	7.5
184.05133	3.1
185.05997	10.3
191.14301	11.3
199.07550	28.2
209.05969	4.7
209.11737	4.8
209.15143	12.9
210.11267	5.5
217.64050	2.4
227.07045	27.9
227.16223	30.0
228.12454	5.7
228.92500	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	227.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.0
55.01868	9.0
55.05507	11.0
56.71703	0.8
56.96534	1.0
57.03440	6.4
57.07050	2.6
59.04966	1.4
65.03933	1.9
65.77267	1.0
67.05506	12.7
69.03429	5.5
69.07065	9.5
71.04996	17.0
71.30239	1.1
73.06517	2.1
75.04459	1.3
79.05077	1.1
79.05494	15.0
80.04972	3.9
81.03419	100.0
81.07048	16.0
82.03740	1.6
83.04977	6.5
83.08601	5.3
85.02841	1.0
85.06545	5.7
88.97135	1.0
91.05479	7.4
93.07040	15.1
95.04970	71.9
95.08616	12.3
97.02874	1.1
97.06527	14.1
97.10179	4.8
98.22739	1.1
98.97545	1.8
99.04458	15.3
99.08102	17.3
100.11243	8.9
103.04816	1.2
103.05472	23.7
103.06140	1.1
104.31050	1.1
105.07023	8.4
107.04915	3.7
107.08595	24.2
107.68975	1.0
109.06522	11.4
109.10160	10.1
111.04389	3.0
111.08033	4.0
113.05942	1.6
113.09613	1.0
115.05407	5.4
115.07517	3.1
117.06975	2.4
119.08579	7.2
121.02809	3.5
121.06422	1.6
121.10141	12.6
123.08015	2.8
123.11670	5.8
125.05917	1.2
125.09634	11.0
127.07544	6.5
128.06229	19.1
129.07022	4.9
131.04932	24.7
131.08591	4.9
132.05235	0.9
133.10127	20.9
135.07967	3.7
135.11699	5.9
137.09564	2.5
139.07462	1.1
139.11179	8.5
140.06177	1.2
141.06990	5.1
142.07732	1.2
143.04851	2.2
143.08565	7.6
143.10634	5.7
145.06380	3.0
145.10068	3.7
147.11629	3.9
149.09592	1.9
149.13252	5.9
151.11078	2.9
152.06190	14.2
153.07022	19.3
153.09073	16.9
153.12686	2.8
155.04852	1.9
155.05989	1.9
155.08566	6.3
156.05612	1.5
157.06494	8.5
157.10057	1.8
159.03201	1.2
159.04414	18.8
159.09071	1.1
163.11130	2.7
163.14728	3.2
165.07031	7.9
168.05684	6.1
169.05147	1.1
169.06482	15.0
170.07268	9.2
171.04446	1.5
171.08047	14.2
171.10094	12.4
171.11629	2.7
173.05963	1.1
173.09541	1.0
173.13257	8.5
176.04617	2.3
177.05482	11.2
181.04988	1.8
181.06462	32.8
182.07022	2.4
183.08018	5.4
183.13623	1.1
184.05211	6.3
185.05977	7.4
191.10602	1.7
191.14282	6.6
197.05910	2.9
198.06654	3.2
199.05977	1.2
199.07541	14.6
209.05942	4.4
209.11732	8.7
209.13463	1.9
209.15218	10.7
227.07016	24.5
227.10580	2.2
227.12585	4.1
227.14507	2.1
227.16309	30.6
228.07173	1.3
228.10103	3.8
228.16599	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	MKN-003C
Peak:m/z	Relative Intensity
55.01870	3.3
55.05503	3.9
57.03437	5.1
57.07072	5.3
59.05001	6.1
60.16182	2.6
67.05499	8.1
69.03426	4.0
69.07074	8.8
71.04987	26.2
73.06544	3.4
79.05492	6.1
81.03397	7.8
81.07055	18.9
83.04955	4.7
83.08620	4.1
85.06551	7.6
91.05478	7.6
93.07040	28.4
95.04968	100.0
95.08617	17.0
96.04499	7.2
96.05403	2.8
97.06545	19.9
97.10180	4.1
99.04463	13.8
99.08095	31.7
100.11235	3.9
105.07038	10.4
107.08589	25.4
109.06529	19.7
109.10154	9.9
109.63208	2.6
111.08052	6.0
115.07568	10.1
116.15806	2.5
119.08592	8.9
121.10178	25.9
123.11688	6.4
125.09639	11.1
127.07567	16.1
131.08598	7.4
133.10135	42.8
135.08067	9.1
135.11691	5.9
137.09599	4.2
139.10223	2.6
139.11142	15.2
143.10754	3.6
145.10184	3.1
147.11664	10.8
149.13251	12.9
151.11224	5.4
153.07088	3.1
153.09106	28.8
159.04424	4.3
163.14861	8.5
164.10742	5.7
164.80421	2.8
165.12727	3.9
171.08005	3.7
171.10210	10.7
173.13286	19.0
182.11819	14.9
191.14352	9.9
209.15331	15.9
225.47311	3.0
227.16393	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03956	5.3
55.01870	5.4
55.05510	36.7
57.03440	14.0
57.05365	2.7
57.07072	5.5
57.81550	2.4
61.19730	2.4
65.99445	2.3
67.05507	86.4
69.03424	2.6
69.07071	28.9
71.04998	15.9
71.08636	3.5
79.05496	46.4
81.03407	4.6
81.07055	100.0
83.04968	10.6
83.08628	28.8
85.06553	7.3
86.09688	13.6
91.05486	24.1
93.07049	68.7
93.80962	2.4
94.55473	2.7
95.04987	8.3
95.08615	29.6
97.06534	14.8
97.10180	22.1
99.08089	7.1
100.11296	3.3
105.07031	9.9
107.08588	38.5
109.06503	4.6
109.10130	7.5
111.08106	12.3
117.06993	15.5
119.08596	4.5
120.25178	2.4
121.10143	20.2
125.09634	22.0
129.06990	3.5
131.08554	14.4
133.10139	13.6
134.22282	2.6
135.08063	6.2
135.11702	17.8
142.07773	5.6
143.08594	5.1
145.10150	4.3
149.13246	44.5
157.10146	7.7
159.11678	26.1
167.08350	3.4
171.11618	5.8
177.12775	8.0
185.13254	3.5
189.11226	13.0
190.40465	2.9
195.13811	10.1
209.13280	2.8
227.10541	3.9
227.12502	29.4
227.14645	6.2
227.17921	14.0
228.23186	6.5
229.14229	3.4
241.33705	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22097	3.3
53.03942	4.0
55.01852	4.7
55.05513	39.5
57.03444	16.5
57.07067	5.6
63.55336	3.6
65.18500	3.2
67.05508	81.5
69.03425	6.5
69.07064	19.7
71.04974	10.7
71.29303	3.7
74.09718	4.1
78.19109	3.5
79.05489	51.4
81.07056	100.0
83.04958	7.5
83.08614	27.4
85.06544	5.2
91.05472	25.4
93.07037	66.3
95.04980	8.7
95.08604	32.5
97.06494	8.8
97.10172	18.8
97.99686	3.6
99.08070	5.1
100.11263	3.9
105.07026	11.0
107.08601	39.8
109.06528	3.8
109.10189	5.0
111.08077	8.5
117.07017	19.3
119.08554	5.9
121.06539	3.8
121.10142	14.9
125.09615	16.2
129.07007	7.8
131.08528	13.0
132.97955	4.5
133.10129	14.2
135.11681	13.0
143.08559	7.8
145.10144	6.1
147.07988	4.0
147.11670	5.4
149.13257	46.3
157.10139	10.9
159.11687	25.2
171.11725	10.6
174.45143	3.9
177.12744	12.4
179.08464	3.9
185.13246	10.3
189.11174	8.6
195.13846	10.7
209.11601	3.2
227.12732	17.1
227.14520	7.6
227.18025	25.3
228.23326	19.9
228.25317	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	10.8
55.05512	38.2
57.03431	15.6
57.07093	6.5
67.05506	88.4
69.07072	25.8
69.50893	24.3
71.04994	16.7
77.24261	3.7
79.05499	60.5
80.03469	3.7
81.07060	100.0
83.04984	15.9
83.08604	27.4
91.05478	30.1
93.07048	77.1
95.04954	9.1
95.08617	33.2
97.06487	20.0
97.10171	15.0
100.11252	9.2
103.05472	6.2
105.07040	13.3
107.08597	43.5
109.10162	7.0
111.08092	10.3
117.07016	18.2
119.08539	5.4
121.10176	22.7
125.09637	13.7
129.07007	7.6
131.08592	17.1
133.10109	15.5
135.08075	5.9
135.11697	16.0
143.08560	5.5
145.10120	7.3
147.11641	4.7
149.13261	53.8
157.10129	12.3
159.11699	26.3
171.11705	9.7
177.12746	11.9
185.13280	11.9
189.11172	6.5
195.13780	15.2
227.10516	8.2
227.12752	14.7
227.14365	13.3
227.17926	20.2
228.23166	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	228.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
55.05509	0.9
57.03434	1.1
63.52859	0.4
67.00339	0.4
67.05495	2.0
68.05052	0.4
69.03210	3.0
69.03614	0.9
77.03136	0.4
77.03942	1.0
79.05492	31.1
80.05016	68.2
81.05373	1.0
81.07062	0.8
91.05476	5.5
91.49854	0.4
92.04948	0.6
93.05784	2.5
93.07049	2.3
93.13451	0.4
95.04983	1.1
98.23354	1.1
103.05464	73.5
104.05741	0.8
105.07013	3.6
106.06614	0.5
107.04952	38.6
108.04474	4.4
108.05203	0.8
109.05259	2.4
109.10136	1.0
110.06026	1.4
115.05447	0.8
121.06503	1.8
130.06525	0.7
131.04926	35.4
132.05240	0.7
137.04678	1.3
140.07043	0.8
149.05948	3.8
155.08556	1.4
156.08095	0.7
165.07031	0.8
167.07262	3.5
168.08031	0.9
170.09581	0.5
172.11200	0.5
175.53906	0.4
180.08052	3.5
181.08835	0.5
182.09637	17.8
183.08058	0.8
200.10684	11.4
201.11000	0.9
212.14377	0.8
228.10182	100.0
228.17415	3.7
228.23164	3.4
229.08571	0.9
229.10501	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	228.1019
Annotation	Clausine-V
Peak:m/z	Relative Intensity
50.36741	1.2
53.03938	2.4
56.41855	1.1
56.51713	1.0
70.42631	2.6
70.42996	2.3
79.05494	32.9
80.05017	78.2
91.05480	5.8
91.05947	1.1
93.05795	2.5
93.07031	2.2
95.04948	1.4
103.05473	83.9
104.05767	1.7
105.07020	3.5
107.04956	43.4
108.04461	4.2
108.22859	1.1
109.05241	3.1
115.61279	1.1
121.06514	2.0
131.04933	34.4
137.04677	2.1
137.71542	1.3
149.05978	4.1
155.08556	1.4
167.07327	4.1
180.08084	4.7
182.09677	17.9
200.10727	12.2
228.10196	100.0
229.10500	3.1
237.08299	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1019
Annotation	TMC-205
Peak:m/z	Relative Intensity
50.01593	0.2
51.02376	0.4
53.03941	1.2
54.03454	0.3
55.01874	0.5
55.05508	0.4
57.03456	0.2
57.07066	0.6
62.06065	0.2
63.02379	0.2
65.03930	0.2
67.05507	0.9
68.05016	0.5
69.03416	0.3
69.07075	0.3
70.06598	0.9
70.41048	0.2
71.08625	0.3
71.30759	0.2
72.82410	0.2
77.03928	0.6
79.05490	30.5
79.62148	0.2
79.86243	0.2
80.05013	63.6
81.03414	0.3
81.05348	0.7
81.07055	0.5
82.06585	0.9
88.07623	1.3
91.04897	0.3
91.05477	6.4
92.04989	0.3
92.05816	0.2
93.05789	2.0
93.07040	1.9
94.06535	0.5
95.04971	0.9
96.04487	0.6
102.04681	0.3
102.09184	1.3
103.05463	73.5
104.05737	1.6
105.04544	0.6
105.07026	3.5
106.06554	0.3
107.04948	38.4
108.04481	3.6
108.05237	0.5
109.05256	1.9
109.10155	0.7
110.06047	1.2
115.05444	6.4
117.07016	2.3
121.06508	1.8
124.03972	0.3
128.06223	0.3
129.07037	0.9
130.06488	0.9
131.04921	30.4
132.05251	0.5
133.06477	0.5
137.04697	1.3
137.69873	0.2
140.07047	0.9
141.06955	0.9
143.04837	0.2
143.07253	0.3
143.08549	0.2
144.08035	0.3
149.05978	3.2
152.06113	0.2
153.06952	0.7
155.08548	2.6
156.08038	0.6
157.08852	0.3
159.08093	0.2
165.06995	14.0
166.07445	0.4
167.07301	10.0
168.08040	1.9
169.08815	0.4
171.08017	0.4
172.11201	0.8
180.08076	17.7
181.08783	1.5
182.09645	64.1
183.08220	0.3
183.10007	1.9
184.11194	0.8
196.69078	0.2
200.10684	10.0
201.11023	0.5
210.09100	0.2
213.07727	0.3
215.53761	0.2
226.08565	0.5
228.10176	100.0
228.23209	7.8
229.10515	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	228.1019
Annotation	Clausine-V
Peak:m/z	Relative Intensity
53.03941	1.8
55.05505	0.6
57.03432	0.7
62.06073	0.9
67.05505	1.7
69.07057	0.8
69.17741	0.9
69.18143	2.1
77.03947	0.7
79.05494	33.6
80.05017	75.5
81.03426	0.5
81.05373	0.6
81.07018	0.5
82.06588	0.6
83.08626	0.6
91.05487	6.2
93.05793	2.7
93.07037	2.6
95.04971	1.5
97.10136	0.8
103.05466	82.5
104.05799	1.3
105.07033	3.9
107.04952	43.5
108.04479	5.2
108.05245	1.1
109.05273	2.7
109.10149	1.2
110.06020	1.0
112.78363	0.4
121.06523	1.6
129.07025	0.7
130.06508	0.7
131.04929	34.2
132.05280	0.9
136.56491	0.4
137.04785	1.0
140.07079	0.9
149.05983	3.8
155.08530	1.5
155.73091	0.4
156.08096	0.9
165.07011	1.0
167.07298	4.3
168.08072	1.2
172.11203	0.4
180.08098	5.1
182.09657	17.7
183.08163	0.5
183.10210	0.9
200.10696	10.5
212.14395	0.6
228.10187	100.0
228.17474	2.2
228.23195	2.9
229.08548	0.6
229.10530	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	228.123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.2
54.20385	0.4
55.05518	1.1
66.03423	0.5
67.05498	2.1
68.05023	1.6
69.03432	1.9
69.07068	17.0
69.28239	0.8
69.28648	2.6
70.06586	0.7
71.04992	1.0
74.93374	0.4
79.05505	1.1
80.05013	3.0
81.03416	1.3
81.07050	1.3
82.03757	0.7
82.06580	0.4
82.07368	0.4
83.04982	1.0
84.04490	0.7
84.08126	0.4
85.06548	0.9
86.06059	0.7
86.09698	2.8
88.13704	0.5
90.32722	0.4
91.05480	0.9
93.07068	1.0
94.06573	0.7
94.07369	0.5
95.04979	0.8
96.04490	56.9
96.08121	0.6
97.02914	2.4
97.04798	0.4
97.06554	0.4
98.06035	2.0
99.04447	1.9
103.05463	0.5
108.04480	7.9
108.08098	1.2
108.08835	0.6
109.10154	0.7
110.06064	2.3
114.05530	10.3
119.08570	0.9
121.10197	0.7
122.06028	1.2
122.10477	0.8
123.06934	0.4
123.11660	0.4
124.12032	1.0
126.05518	11.7
131.05064	0.5
136.07555	2.2
136.11201	2.2
140.03360	0.4
144.63319	0.4
146.09627	1.9
150.09964	0.7
152.10617	0.7
154.04987	1.2
154.12262	1.3
164.10712	37.2
165.09122	0.4
165.11035	1.1
168.10995	1.0
172.08443	0.4
174.13583	0.5
182.08443	3.2
182.11761	100.0
183.12108	2.0
201.05391	0.5
201.12648	0.4
210.11230	2.3
228.07384	0.4
228.10220	0.6
228.12312	11.5
228.16100	0.7
228.23233	1.5
229.04865	0.8
229.12328	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.7
55.01856	0.6
55.05511	1.0
56.05053	0.4
65.03973	0.5
67.05507	2.5
68.05032	1.6
69.03420	1.4
69.07107	5.9
70.06593	0.6
71.04982	1.1
79.05487	1.1
80.05015	6.4
81.03408	2.3
81.07043	1.0
82.03756	0.3
82.06582	1.0
83.04961	0.7
83.08629	0.4
84.08131	0.4
85.02876	0.3
85.06548	0.9
86.06046	0.5
86.09689	1.5
91.05482	0.7
93.05788	0.4
93.07030	1.0
94.06559	4.0
95.04948	1.4
95.08604	0.5
96.04491	8.5
96.08129	0.4
97.02891	0.4
97.51105	0.3
98.06056	11.8
99.04430	1.5
103.05492	0.8
105.07014	0.4
106.06544	0.4
107.04961	0.6
107.08595	0.5
108.04476	12.9
108.08965	0.5
109.10172	1.4
110.06057	1.7
113.06030	0.6
114.05534	3.4
115.05454	0.6
119.08568	0.4
120.08099	0.4
120.08923	0.3
121.10115	0.3
122.06023	16.1
122.09641	0.3
122.10486	0.3
123.06350	0.4
124.07606	0.8
124.11193	0.4
126.05511	60.1
127.05833	0.5
129.07047	0.6
131.04941	1.0
131.08461	0.3
136.07558	0.4
136.11223	0.9
140.07069	8.8
143.04984	0.4
145.06541	0.4
146.09630	2.0
147.04475	0.3
149.29768	0.3
150.09946	0.4
152.10663	1.6
153.06943	1.1
154.04985	9.3
154.12282	0.7
155.08554	1.1
156.39890	0.4
159.04446	0.6
164.10710	33.8
165.06999	1.4
165.11029	0.8
171.04436	0.6
172.06104	0.5
177.05453	1.0
182.11760	100.0
183.08025	1.1
183.12105	2.4
192.14624	0.5
197.05841	0.3
201.09088	0.3
210.11256	2.6
211.07556	1.2
228.10356	0.6
228.12303	14.9
228.15959	0.7
228.23257	1.0
229.08450	2.2
229.12209	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91391	0.5
56.96560	1.1
57.03449	0.3
68.89561	0.3
69.08569	2.2
69.28825	0.3
70.39436	0.3
71.95275	0.4
84.96032	0.7
98.23347	0.6
98.97585	6.1
101.00882	2.4
102.97078	0.2
103.00630	2.2
112.87295	0.3
116.98627	5.5
119.01929	9.4
119.02793	0.5
120.01977	0.6
121.01678	7.4
122.97858	0.3
124.99542	0.3
131.01945	0.4
134.99762	4.3
137.02956	2.4
138.99431	0.3
139.02701	1.7
139.98045	0.3
140.98822	1.6
153.00848	1.3
157.00363	0.5
158.99884	6.0
159.01205	0.4
160.00024	0.5
161.01468	0.6
162.99400	1.1
167.43796	0.3
177.00957	78.8
178.01051	5.9
179.00774	1.7
179.02563	0.6
180.00793	1.0
181.00435	11.1
185.01431	1.2
187.02716	0.7
194.98465	0.6
195.01979	1.0
199.04572	0.4
200.02573	1.2
201.00964	0.6
201.06125	0.6
203.02522	31.6
204.02652	2.7
205.00430	2.4
205.03702	0.8
205.07475	0.3
206.00604	0.3
210.99229	1.5
219.02011	13.9
220.02104	1.0
221.01764	0.6
221.03613	1.0
222.02007	0.7
223.01506	10.0
228.23314	0.6
229.00424	8.2
229.09348	0.5
230.00645	0.4
246.03217	0.4
247.01508	100.0
248.01643	7.6
249.01840	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64972	1.7
53.03952	14.0
55.01862	8.9
55.05514	41.3
57.03439	42.7
57.07079	6.9
61.02931	3.5
65.03931	2.6
65.19109	1.6
67.05511	15.2
69.03433	100.0
69.07072	12.0
69.49998	8.5
70.06592	2.3
71.01350	6.5
71.04991	31.1
73.02927	15.2
79.05492	7.6
81.03424	37.9
81.07059	9.6
83.01291	2.4
83.04990	24.6
85.02906	49.3
85.06546	54.7
87.04458	3.0
87.61188	1.7
91.05487	12.8
93.07046	14.9
95.04960	9.9
95.08600	8.1
97.02897	29.6
97.06534	9.0
99.04454	19.8
101.38014	1.8
105.07030	6.7
105.33076	1.5
107.04961	1.9
107.08613	2.0
107.68742	1.9
109.02889	10.0
109.06572	8.5
111.04438	13.7
111.08073	2.9
115.03896	2.5
117.07043	4.3
119.08620	4.4
121.06558	8.6
123.08073	5.2
125.05966	2.1
127.03913	44.6
129.05464	16.7
133.06479	2.5
135.08069	3.1
139.07504	3.7
145.04970	8.6
147.08061	5.7
151.07538	3.4
163.07553	2.9
165.09064	3.1
175.07500	2.3
187.04698	3.0
211.09521	2.3
211.93582	2.1
229.10670	8.1
229.15591	3.9
244.90314	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1224
Annotation	1,1-Bis(4-hydroxyphenyl)propane
Peak:m/z	Relative Intensity
51.02385	0.5
53.60975	0.5
54.64026	0.4
55.05508	1.5
57.03431	1.7
57.07072	0.6
59.02041	0.5
59.05001	0.6
60.08160	0.9
65.53063	0.5
67.05505	6.4
69.03435	2.3
69.07057	0.6
71.05006	0.5
81.07050	1.3
83.08612	0.5
86.22708	0.5
86.70126	0.4
91.05463	2.7
91.05971	0.5
91.07270	0.4
93.07026	1.2
95.08618	0.6
99.81094	0.5
105.07011	2.9
109.06554	1.0
109.10162	6.2
115.05469	0.9
117.07023	0.9
119.08557	1.4
121.06486	0.4
121.10165	0.9
128.06209	1.0
129.07005	1.7
129.12370	0.5
130.07793	1.1
131.08582	6.6
133.10126	0.7
137.05980	1.8
141.06972	2.8
142.06183	0.5
142.07790	3.1
143.08578	6.3
145.06465	1.9
145.10162	4.3
151.08708	0.5
153.06990	5.1
154.07765	0.7
155.08536	7.4
156.09274	0.8
157.06491	1.6
157.10136	1.8
158.07295	1.0
158.10934	1.5
159.08067	6.0
159.11693	1.8
160.08844	0.8
167.08574	2.2
168.09349	11.7
169.10045	1.2
171.08058	7.3
171.11708	0.6
172.08803	1.9
173.09650	7.2
173.11794	1.1
173.13144	2.3
174.06743	0.9
178.07788	0.9
181.06480	3.8
181.10104	1.3
183.08017	0.5
183.11708	15.7
184.12074	0.7
185.09669	1.5
186.10408	17.8
187.07607	2.5
187.11055	1.6
188.08281	1.6
193.10117	4.2
195.08028	1.1
196.08824	8.7
199.07581	3.4
201.09163	2.4
201.12749	45.4
202.13187	0.9
211.11186	12.3
214.09886	4.7
228.23184	0.8
228.26921	3.1
229.12244	100.0
229.15938	4.2
229.23409	1.4
229.27196	1.6
230.12546	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18562	1.5
55.05511	4.6
57.03444	7.4
59.04996	3.4
62.77627	1.8
67.05512	44.8
67.47388	1.5
69.03437	3.0
69.07059	8.8
70.36780	1.8
70.37106	3.5
71.05000	4.1
79.05486	5.3
80.05014	4.3
81.07055	7.2
83.08623	3.0
85.06564	3.4
91.05470	4.4
93.07047	4.2
95.04974	6.4
95.08604	4.6
103.01214	1.9
103.05476	2.9
104.05832	1.7
105.07028	3.6
107.04965	2.3
107.08591	2.4
107.99837	1.4
109.10162	100.0
110.10507	3.1
111.08061	1.9
117.07067	2.1
119.08584	6.5
123.11713	8.3
127.11203	27.2
131.08591	3.3
132.05243	1.9
132.89622	1.6
133.10104	5.2
137.09608	5.8
137.10551	1.8
143.08519	2.4
145.10135	5.5
151.11237	2.0
155.08543	2.2
155.10686	5.1
159.11739	2.9
161.09651	5.7
166.12311	1.6
173.05977	2.0
173.11792	11.0
173.13158	2.5
179.10667	7.0
183.08008	2.2
183.32686	1.6
187.03946	2.3
197.11719	6.3
211.07617	4.1
217.18509	1.5
228.11203	1.7
229.04860	2.1
229.08578	8.0
229.10542	5.7
229.12363	4.0
229.14291	5.2
229.15988	4.4
229.19705	3.4
229.23763	1.5
230.19113	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	229.1548
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
52.93077	0.2
53.03943	0.3
55.01876	0.6
55.05508	0.2
56.96566	2.6
57.03431	0.4
57.07058	0.2
58.06599	6.5
59.07377	1.1
60.08164	7.3
60.63535	0.2
68.04716	0.2
68.05009	1.2
69.03441	1.3
70.06593	39.7
71.04214	0.4
71.05020	0.3
71.06912	0.4
72.08170	0.4
81.03419	0.6
81.07050	0.2
83.04978	0.4
85.02917	0.6
85.06535	0.5
86.09708	0.3
96.08150	1.9
97.02902	0.6
98.06050	0.7
98.97584	6.1
98.98195	0.4
101.00877	0.5
110.97601	0.3
114.05532	4.1
114.09155	1.9
116.07114	0.9
116.98622	3.4
119.01948	0.4
124.07594	3.6
125.01048	0.2
126.02259	0.2
126.09155	0.9
126.12895	0.3
127.03915	0.3
128.98663	0.3
134.99670	1.2
142.08636	34.4
143.08963	0.6
158.04982	0.3
160.06473	0.5
163.03897	0.2
170.08119	1.8
179.81970	0.2
188.06064	0.3
189.04337	0.6
206.07016	0.6
207.05415	0.6
224.08000	1.0
229.15466	100.0
230.07080	0.6
230.15839	2.8
248.08051	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	5.2
57.03440	3.1
57.07085	5.5
58.06625	2.1
58.77647	1.0
60.08164	7.7
61.08493	1.1
62.06101	1.4
65.03958	1.2
67.05511	22.7
69.07095	2.5
71.04985	2.0
71.08634	2.0
71.28577	1.3
72.02817	1.0
76.64118	1.1
79.05492	4.3
81.07062	9.3
83.04982	2.3
83.08639	1.2
85.06567	1.5
91.05480	7.5
93.07041	5.1
95.04934	1.7
95.08612	6.0
103.05437	1.8
105.07042	10.2
107.08610	4.3
109.06518	2.5
109.10152	19.7
111.08067	1.3
115.05482	2.4
117.07026	7.0
119.08598	8.7
121.10171	3.4
123.08083	1.9
128.06216	2.4
129.07018	3.3
130.07813	3.0
131.08586	12.7
133.10152	4.3
135.08086	2.5
141.06993	5.3
142.07791	2.9
143.08553	9.2
144.09386	1.5
145.10126	20.2
147.11703	2.3
153.07028	3.3
154.07767	5.3
155.08562	13.2
155.68340	1.1
156.09352	10.3
157.06429	1.2
157.10193	9.6
159.08052	5.8
159.11691	9.5
160.12029	1.2
165.07005	1.9
166.07813	4.4
167.08572	8.8
168.09402	4.7
169.10135	27.9
170.10930	18.4
171.11688	17.1
172.08797	3.0
172.12466	3.3
173.09625	6.9
173.11751	4.9
173.13287	4.4
181.10123	59.9
182.10829	7.4
183.10124	1.8
183.11670	9.6
185.13255	29.4
186.13965	2.3
187.11212	4.6
187.14825	9.1
195.11723	3.7
196.12479	100.0
197.12895	3.3
199.11267	3.9
201.16440	4.7
209.13277	1.1
211.14819	55.7
211.40352	1.1
212.15175	2.7
214.09712	1.6
214.13554	3.8
228.26958	2.6
229.12199	6.6
229.15938	79.5
229.19244	9.1
229.23645	2.0
229.27220	37.8
230.16283	2.9
230.24777	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	230.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98637	0.6
56.13584	0.3
56.96568	39.1
57.75579	0.3
58.06601	0.7
60.08162	0.7
69.03426	0.8
69.86912	1.0
69.90109	0.3
70.06595	4.4
71.06931	1.9
71.95263	3.5
72.96050	2.1
74.97622	0.8
81.87480	0.3
83.97632	1.0
84.96030	1.7
85.02924	0.6
85.64468	0.3
86.09702	3.4
88.11639	0.3
97.02906	0.5
98.97587	100.0
99.97945	0.5
109.99152	0.3
110.97578	0.7
113.97066	0.3
115.00713	0.7
116.00228	1.7
116.98627	52.7
124.00725	0.7
125.07972	0.4
126.02265	1.0
127.00703	0.4
128.98618	1.4
129.02208	0.3
134.01266	1.5
134.99663	17.8
140.00200	0.6
140.03824	2.3
142.05415	1.5
142.08632	1.8
143.00143	0.3
143.08987	2.5
144.03305	0.7
146.99649	0.5
152.02231	0.3
153.00719	1.7
153.02194	0.4
158.01299	0.7
158.04890	3.8
158.99661	0.4
159.03978	0.5
160.06473	4.6
170.04877	1.7
171.03294	2.5
172.09689	0.7
173.02928	0.4
176.05978	0.9
178.07562	0.5
187.02831	0.5
188.05933	3.2
189.04367	10.8
201.58911	0.3
202.07579	0.9
203.05959	0.4
205.03848	0.3
206.07007	7.9
207.05421	6.1
207.07397	0.4
212.05946	1.0
213.04532	0.4
224.08073	8.9
230.07004	9.0
230.15814	12.4
231.05334	1.4
231.14545	1.1
248.08066	16.4
249.06398	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	11.4
55.01886	4.2
55.05507	2.9
57.03433	3.5
61.02931	1.5
62.12281	0.7
67.05506	2.2
68.99784	2.6
69.03433	100.0
69.07076	1.5
70.03765	1.3
71.01366	0.8
71.05002	6.5
71.28529	0.9
72.08158	1.0
72.12524	0.7
73.02932	1.0
79.05492	3.6
80.05023	4.8
81.03420	50.9
81.07056	1.9
83.01322	1.9
83.05001	4.1
85.02908	48.0
87.00833	20.6
87.04425	1.0
91.05476	6.4
93.07053	3.7
94.06570	2.4
95.04951	1.1
95.08595	2.4
97.02894	28.4
97.06540	2.5
99.04457	16.9
103.05449	1.0
105.01854	4.3
105.07026	6.8
107.08587	2.3
108.04459	1.3
109.02885	22.1
109.06528	1.7
109.10181	0.9
110.44019	0.8
111.00808	1.7
111.04443	1.8
115.03123	0.8
115.05463	1.4
117.07024	3.2
119.08582	5.4
121.06559	1.0
121.10186	1.4
122.09676	7.3
127.03920	30.3
128.06236	3.0
129.07030	5.3
131.04936	1.1
131.08537	4.2
133.06516	1.4
133.10204	4.2
135.04373	1.9
135.08076	4.0
136.11200	4.3
141.07010	2.4
142.07813	4.5
143.08582	9.3
144.05647	0.9
145.05000	3.6
145.06477	1.2
145.10130	7.0
147.04401	2.9
147.08047	3.9
147.11668	1.2
149.09644	1.4
155.08540	2.0
156.09369	3.0
157.06477	2.3
157.10109	6.9
159.08046	1.2
159.11679	2.6
161.06064	0.9
161.09619	2.2
161.13275	1.1
165.07004	1.8
167.08659	1.1
169.10147	1.4
170.10915	4.3
171.08066	3.1
171.11688	7.8
172.08830	1.1
173.09639	2.7
175.05264	0.8
175.07542	8.1
178.11029	0.8
180.09337	2.3
185.09666	3.1
185.13232	10.7
187.11148	1.0
189.09126	3.1
189.12746	2.4
195.11734	5.1
198.10437	2.4
203.06940	1.3
203.10728	1.2
203.15616	6.0
213.03928	1.2
213.09105	2.2
213.12764	15.4
214.08656	1.7
231.02859	1.6
231.04976	5.4
231.10127	4.3
231.13718	23.0
231.17476	1.9
232.14232	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.138
Annotation	Volvatellin
Peak:m/z	Relative Intensity
52.00122	1.2
53.03936	2.5
55.01857	3.0
55.05505	3.9
57.07055	1.3
64.82062	1.1
67.05509	7.2
67.19831	1.1
69.03432	57.4
69.07053	4.5
71.04996	1.6
71.09141	1.3
71.09480	1.8
79.05502	13.4
81.03401	4.6
81.07055	13.5
83.04973	3.4
85.02892	3.3
86.75915	1.4
87.04461	2.1
91.05476	14.1
93.07043	8.8
95.04955	5.1
95.08624	6.2
97.06517	6.4
103.05441	2.3
105.07023	19.2
107.04977	3.3
107.08583	11.7
109.02869	4.3
109.06518	13.9
111.04446	2.2
111.08082	1.5
115.05439	2.9
117.07011	11.4
119.04944	4.8
119.08579	34.5
121.06463	3.3
121.10114	3.3
123.04378	1.8
123.08063	2.4
127.03913	3.0
128.06219	9.6
129.07007	12.2
130.07776	2.8
131.08574	16.0
133.06473	4.0
133.10089	8.5
135.04398	4.3
135.08047	36.6
137.05908	2.0
141.06964	3.3
142.07776	12.2
143.04892	1.4
143.08548	26.2
144.09302	3.3
145.06491	3.5
145.10127	34.3
146.07257	1.2
147.04395	7.6
147.08018	6.0
147.11658	4.1
149.09621	2.2
153.06909	2.1
155.08562	8.6
156.09340	14.2
157.06476	5.6
157.10133	29.4
157.33879	1.2
158.07394	1.3
159.08116	2.7
159.11702	13.0
160.08813	1.2
161.05957	4.1
161.09628	5.8
161.13286	3.1
163.03891	2.0
163.07512	2.1
165.06978	12.1
167.08592	3.8
169.10136	3.3
170.10899	16.4
171.08041	12.8
171.11694	26.5
172.08803	3.1
173.09610	1.8
175.07532	8.3
175.11162	2.0
175.14851	3.6
180.09338	16.1
183.08041	9.1
185.09666	6.6
185.13258	34.9
186.13654	1.2
187.03749	1.3
187.11159	3.3
187.14809	5.6
189.05469	3.2
189.09140	4.0
189.12701	4.5
195.09875	1.5
195.11693	30.3
198.10423	13.3
203.10625	1.4
203.14282	9.7
213.09398	2.4
213.12746	100.0
214.13023	3.0
231.02963	1.5
231.10327	12.7
231.13782	83.9
231.17467	2.4
232.14111	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	231.1745
Annotation	2-Polyprenylphenol
Peak:m/z	Relative Intensity
53.03944	5.8
54.98718	3.6
55.05507	15.5
57.07067	6.3
61.91768	3.4
62.25204	3.2
63.68673	4.0
67.05499	31.3
69.03445	4.7
69.07084	27.9
71.04996	11.8
71.28762	6.4
71.63905	3.3
75.38994	3.8
75.54801	3.8
79.05490	28.9
81.07067	33.3
83.04972	8.5
83.08608	8.2
91.05483	31.4
93.07047	42.4
95.04998	5.7
95.08612	98.4
97.06522	9.7
103.05468	4.9
105.07035	70.2
107.08608	28.2
109.06522	33.3
109.10170	26.2
111.51408	3.5
115.05338	3.3
117.06994	10.2
119.08594	62.2
121.06516	4.1
121.10155	100.0
123.08089	4.7
123.11755	17.9
123.12495	3.5
128.06244	4.8
129.07025	11.3
130.07751	3.8
131.08557	15.7
133.10164	37.1
135.08008	8.3
135.11658	7.7
137.09628	4.0
142.07793	25.8
143.08537	15.7
145.10127	35.2
147.08073	9.9
147.11708	27.5
149.09671	5.0
149.13272	4.8
156.09395	10.3
157.10141	55.6
159.11697	13.0
161.09630	21.6
161.13278	15.7
170.10794	4.5
171.11690	27.8
173.13297	28.1
175.11140	24.3
185.13271	8.2
187.14871	8.7
189.12613	6.7
203.17975	6.5
213.16391	33.8
231.08093	5.4
231.13849	5.1
231.17403	68.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1545
Annotation	Butyryl-L-carnitine
Peak:m/z	Relative Intensity
52.15135	0.2
57.03440	1.5
58.06608	0.4
59.07383	0.3
60.08162	7.6
66.98168	0.2
69.03429	0.5
69.30164	1.6
70.06581	1.3
71.01343	0.2
71.04993	2.0
77.59609	0.2
81.07052	0.4
84.08139	0.6
85.02905	100.0
86.03242	0.8
124.11235	0.8
129.07855	0.3
136.06227	0.3
138.21126	0.3
144.10194	2.1
156.19394	0.2
170.10291	0.3
170.11760	6.3
173.08104	8.7
176.38362	0.2
232.15416	18.4
233.15712	0.5
254.14706	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49042	1.0
50.54596	1.1
53.03950	4.4
55.01869	4.4
55.05520	8.5
56.96573	12.0
57.03445	6.9
58.06617	5.9
58.99870	1.6
59.07368	2.1
60.47988	1.2
61.02929	4.5
67.05531	1.9
68.05032	3.0
69.03434	15.5
69.07088	1.2
69.66241	1.3
70.06584	8.3
70.86974	1.3
71.05001	4.2
72.08158	2.9
73.02919	6.8
77.00928	2.0
79.05484	1.5
80.02947	1.4
81.03421	12.7
82.99865	1.3
83.01329	1.5
83.04980	24.2
84.04517	7.5
84.05258	1.4
84.08151	3.7
85.02908	18.3
86.02939	1.4
86.06068	4.2
86.09712	6.0
87.01876	1.9
87.04475	3.6
89.03459	1.2
95.06106	3.7
97.02892	26.1
98.97612	4.8
99.03733	2.6
99.04433	3.0
100.11254	3.0
101.00884	8.6
101.03445	3.1
103.00693	1.5
103.03981	1.2
104.07110	2.4
107.03454	3.5
108.04237	2.9
109.02885	4.4
110.97585	2.0
111.02937	2.7
113.03460	1.4
114.04224	2.8
114.05526	1.9
115.02438	3.5
116.98637	4.7
119.01934	11.8
120.02074	1.8
120.04182	2.1
121.01683	3.5
124.07615	1.5
127.03941	3.7
128.07077	1.5
128.98637	1.5
129.03963	9.7
130.04141	1.2
131.00188	2.3
131.01930	5.1
133.03476	5.9
133.07639	1.3
134.03917	1.7
137.02985	1.1
141.03986	12.4
143.01895	10.3
143.04449	6.3
145.01651	3.1
145.03465	5.4
145.04964	2.1
146.99670	1.9
147.03214	1.7
147.05038	7.0
147.37350	1.3
149.01265	1.7
152.04999	100.0
152.55066	19.2
153.04930	3.8
155.01920	4.1
157.03479	5.3
158.99695	1.9
159.03178	1.4
159.05042	23.7
160.05232	4.7
161.01553	2.0
161.02957	13.7
161.04204	1.9
161.05559	19.7
161.06631	1.2
161.55673	4.7
162.03123	2.5
163.02742	3.6
169.04407	4.3
170.08200	2.0
170.99612	1.4
171.05118	1.3
172.56340	4.3
173.01263	1.6
173.02896	3.5
174.03125	1.4
175.02769	1.6
175.04530	1.6
177.06081	2.9
183.05106	2.9
185.03014	3.5
190.98563	1.4
191.04050	1.9
201.06075	2.1
203.04066	4.6
213.06094	3.3
215.11414	1.5
216.08656	2.6
221.03046	1.6
221.05037	3.3
222.05385	1.4
233.06346	4.4
233.08719	1.4
233.12523	6.0
233.15004	2.4
233.18987	1.4
234.13327	4.9
251.04224	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	Hypacrone
Peak:m/z	Relative Intensity
50.01604	0.3
51.02374	0.6
52.33129	0.2
53.03946	3.1
55.01878	0.4
55.05508	3.9
57.07059	0.5
67.05505	1.1
69.03424	5.6
69.07064	1.0
71.04982	0.7
77.03936	0.8
79.05491	61.4
80.05827	0.7
80.06267	0.6
81.03435	0.4
81.07055	3.5
82.02999	0.2
83.04987	1.5
83.08618	5.6
85.02917	0.3
85.06539	0.7
88.49219	0.3
91.05475	3.6
92.56251	0.2
93.07036	4.6
95.04967	4.4
95.08591	1.7
97.06512	0.9
105.04515	1.7
105.07030	6.6
107.04950	63.1
107.08588	9.4
108.05289	1.1
109.06518	0.8
109.10159	0.7
111.04431	0.7
111.08075	5.5
116.06283	0.3
117.07033	0.9
119.07778	0.4
119.08578	5.4
121.06492	2.2
121.10133	6.4
123.08089	1.3
123.11717	0.7
125.09623	2.7
129.06984	0.6
131.08560	5.1
133.06506	0.4
133.10129	6.4
135.08049	1.8
135.11685	0.8
139.07498	0.3
142.07800	0.9
143.08540	1.2
144.09383	0.4
145.06456	0.4
145.10100	3.1
147.08063	0.4
147.11676	8.7
149.09610	9.2
149.13248	3.2
150.10338	0.8
153.09067	0.9
155.08511	0.4
156.09286	0.6
157.10118	2.7
158.10925	1.7
159.08052	0.7
159.11693	0.9
160.08798	1.4
163.07547	0.6
163.11176	0.3
167.08530	0.3
169.10054	0.3
171.11693	0.6
172.12518	0.6
173.09569	0.7
173.13257	5.4
175.09694	0.5
175.11180	9.4
182.10954	0.7
187.14787	1.0
189.12648	0.6
190.13530	0.5
191.03372	0.6
191.14299	70.6
192.14651	1.9
197.13272	1.2
215.14323	2.2
215.17979	0.4
218.10820	0.3
233.15347	100.0
234.15697	2.9
239.18343	0.3
251.62305	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.03942	3.6
54.25499	1.1
55.01862	2.0
55.05497	4.3
57.07071	2.8
59.84097	1.1
67.05492	5.0
69.03432	6.8
69.07057	3.7
71.04988	2.6
71.29246	1.8
74.22599	1.1
79.05495	57.7
81.03407	1.9
81.07061	7.4
83.04985	2.5
83.08626	7.1
85.06533	3.5
89.67873	1.1
91.05483	11.3
92.05836	1.3
93.07035	9.2
95.04975	9.0
95.08598	4.6
97.06532	2.3
105.07033	16.2
107.04956	58.5
107.08591	12.1
108.05277	1.2
109.06506	4.4
111.04463	1.2
111.08096	7.2
113.05991	1.2
117.07012	4.3
119.08591	16.7
121.06513	5.9
121.10129	7.5
123.08050	2.1
125.09656	1.4
129.06973	2.0
131.08588	14.4
133.06468	2.1
133.10120	10.1
135.08041	4.5
135.11682	1.7
137.02370	1.3
137.09593	3.2
142.07672	1.0
143.08554	1.6
145.06496	1.3
145.10117	12.8
147.08058	12.0
147.11679	13.3
147.43642	1.1
149.09613	10.2
149.13248	4.0
157.10117	6.5
158.10907	2.3
159.08076	3.8
159.11676	2.8
160.05244	2.0
160.08777	2.4
161.05980	2.3
163.11156	2.3
169.10237	1.6
171.11664	2.8
172.12360	1.2
173.13225	10.8
175.11192	16.8
177.05472	1.4
182.10863	2.4
187.14781	5.2
189.12729	5.1
191.03447	2.3
191.14313	61.6
192.14734	1.4
197.13260	2.6
215.06876	2.1
215.14320	8.6
217.15923	2.1
233.15359	100.0
233.18785	8.4
234.15623	2.7
243.33403	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	Hypacrone
Peak:m/z	Relative Intensity
51.02374	0.4
53.03941	2.5
55.05511	3.2
57.03440	0.3
67.05515	1.1
69.03424	5.7
69.07065	1.0
70.34565	0.7
70.34937	0.8
71.04993	0.6
77.03935	0.5
79.05492	60.6
80.05828	0.6
80.06267	0.6
81.03415	0.6
81.07050	2.8
83.04978	1.3
83.08614	5.9
85.02940	0.5
85.06552	0.6
89.66257	0.3
91.05470	2.8
93.07047	4.1
95.04974	3.8
95.08604	1.2
97.06534	0.9
105.04484	1.9
105.07037	6.1
107.04954	63.9
107.08592	9.6
108.05326	0.9
109.06505	1.3
109.10159	0.5
111.04437	0.8
111.08074	5.5
117.07019	0.6
119.08575	4.6
121.06504	1.6
121.10132	6.1
123.08073	0.8
123.11709	0.7
123.48686	0.3
125.09617	2.7
129.07019	0.5
131.08568	4.7
133.10133	5.9
135.08015	1.9
135.11723	0.6
141.07033	0.4
142.07747	0.7
143.08557	1.0
145.10088	3.0
147.08028	0.3
147.11673	9.2
148.12370	0.4
149.09616	9.0
149.13239	3.3
150.10260	0.4
153.09070	0.7
157.10094	3.1
158.10896	1.6
159.08012	0.6
160.08842	1.6
163.11182	0.5
163.14772	0.4
171.11633	0.3
171.18599	0.4
173.09621	0.6
173.13246	5.4
175.11179	9.6
182.10909	1.2
187.14714	0.4
191.14301	71.8
192.14661	1.9
197.13252	1.0
205.15826	0.4
215.14352	1.1
233.15352	100.0
234.15677	3.7
236.74727	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
53.03930	3.1
55.01869	3.6
55.05506	7.5
57.03437	2.4
57.07070	7.4
59.05012	4.7
65.03934	2.7
67.05188	1.1
67.05511	15.9
69.03428	11.7
69.07069	6.1
69.69351	4.7
70.03700	1.0
71.04975	3.9
75.49178	0.9
79.05490	13.1
81.03384	0.9
81.07054	14.7
82.39623	0.8
83.04973	12.2
83.08596	2.7
85.02901	2.0
85.06541	14.0
85.14975	0.9
91.04899	1.5
91.05473	27.9
91.86078	0.9
93.06470	1.8
93.07039	25.8
95.04971	13.8
95.08601	12.2
97.02887	2.6
97.06533	6.5
98.23316	2.1
101.96542	1.0
103.05493	2.9
105.03380	1.2
105.07032	33.1
107.04969	6.7
107.08590	29.6
107.09289	1.8
109.06525	5.8
109.10139	7.6
111.08091	7.4
113.05992	6.6
115.05456	5.2
116.06235	2.7
117.03520	1.0
117.06999	10.0
119.08584	17.6
121.06486	9.8
121.10143	32.6
122.07272	4.8
123.04454	2.3
123.08043	4.2
125.09583	3.5
127.07554	5.1
128.06206	3.5
129.07008	5.8
130.07765	5.4
131.04933	7.7
131.08565	41.3
133.06471	4.1
133.07404	1.2
133.10124	26.0
135.08041	7.1
135.11687	3.6
136.08786	1.8
137.05986	1.8
137.09612	33.8
138.09938	1.1
139.07510	2.5
141.06987	4.0
142.07764	1.8
143.08580	7.1
144.05750	1.8
145.06464	2.2
145.10121	57.2
146.10892	5.0
147.08012	7.5
147.11678	8.5
149.06012	1.3
149.09616	52.1
149.13293	1.8
150.09920	1.6
151.11234	5.1
153.09117	5.7
155.08514	1.6
156.09329	2.1
156.14777	1.2
157.06529	1.3
157.10144	4.4
158.07300	1.5
158.10898	5.5
159.04405	16.6
159.08049	12.4
159.11684	8.1
160.05182	1.6
160.08733	1.9
161.06056	2.5
161.09531	2.7
161.13240	1.9
163.03899	1.2
163.07530	2.9
163.11171	6.5
169.06454	2.7
169.10136	1.3
171.08102	1.4
171.11699	4.1
172.12447	1.6
173.05994	1.3
173.09637	4.8
173.13261	26.0
175.07518	2.9
175.11234	7.4
177.05417	6.1
177.09142	7.4
182.10957	1.6
187.03896	1.8
187.07582	5.5
187.11125	2.1
187.14818	13.9
189.05464	5.1
189.09081	3.1
189.12706	4.5
191.03403	4.1
191.07053	3.1
191.10693	2.8
191.14268	6.6
197.05963	4.1
197.13287	1.7
200.04706	2.0
205.12192	2.7
205.15887	4.7
215.07033	10.3
215.10603	1.7
215.14278	10.5
215.17982	1.7
233.07921	6.9
233.11621	2.7
233.15347	100.0
233.18700	5.9
234.15718	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	233.1536
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
53.03946	1.4
53.40378	0.7
55.01868	1.5
55.05508	7.3
57.03416	1.1
57.07059	1.5
67.05503	6.7
69.03434	7.1
69.07065	6.7
70.54697	2.0
71.04970	1.4
79.05486	8.4
81.03393	1.0
81.07064	8.4
83.04963	3.1
83.08601	1.6
85.06533	1.7
89.00614	0.7
91.05482	14.7
93.07042	11.8
95.04980	5.8
95.08605	5.5
97.06509	2.7
103.05460	2.1
105.03386	1.2
105.07029	13.8
107.04946	3.8
107.08594	11.4
109.06509	4.2
109.10143	2.0
115.05446	2.2
116.06225	1.2
117.07034	4.6
119.04934	1.1
119.08574	12.4
121.06490	9.3
121.10137	9.2
123.08080	2.1
128.06288	1.4
129.07018	4.0
130.07817	1.1
131.04909	1.6
131.08568	17.1
133.02870	1.6
133.06474	2.6
133.10135	6.0
134.10889	1.1
135.08057	3.9
135.11639	1.3
137.09615	2.0
141.06992	3.7
142.07776	1.6
143.08572	3.9
144.05682	1.6
144.09309	1.2
145.02829	0.9
145.06458	1.6
145.10123	15.4
147.08025	1.7
147.11696	2.8
149.09616	76.8
150.09912	1.5
153.06970	0.8
155.07298	0.9
155.08562	2.5
156.09390	1.9
157.10098	4.2
158.07222	1.0
158.10892	2.1
159.04425	3.9
159.08063	11.2
159.11678	6.4
160.05254	1.2
160.08673	0.8
161.02225	0.9
161.05954	1.9
161.09595	4.3
161.13284	1.1
163.07552	1.4
163.11111	0.9
163.14865	0.8
167.08543	2.4
169.06517	0.9
169.10141	1.2
171.11668	2.6
172.12451	1.3
173.09657	4.6
173.13266	9.7
174.10399	1.2
175.11220	3.5
177.05424	1.7
177.09096	3.7
177.16400	1.2
179.03308	1.3
179.10670	2.8
182.10905	4.9
185.06058	0.8
185.09589	1.3
187.07515	3.4
187.11122	1.6
187.14792	8.9
189.09090	2.0
189.12715	3.1
191.03392	29.3
191.14336	2.4
197.05951	2.0
197.11656	0.9
197.13287	10.0
200.11963	1.3
205.15900	1.0
215.07043	5.1
215.10931	1.0
215.14310	26.6
215.17856	2.0
233.06012	1.4
233.08006	9.3
233.11964	4.5
233.15350	100.0
233.19083	2.9
234.15695	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	Turmeronol B
Peak:m/z	Relative Intensity
53.03949	0.9
55.01876	1.6
55.05511	6.1
57.03423	0.8
60.58574	0.3
65.03957	0.3
67.05502	1.0
69.03434	3.8
69.07074	0.7
70.55040	0.4
70.55353	0.5
70.76288	0.3
71.04984	1.9
79.05497	3.5
79.71369	0.3
81.03417	1.0
81.07071	0.9
82.21223	0.3
82.99667	0.3
83.04986	1.9
85.02895	2.0
91.05476	6.2
93.07042	6.9
95.04974	1.9
95.08607	1.2
97.02921	0.4
97.06528	0.8
99.47155	0.3
101.74766	0.3
103.05453	0.4
104.87296	0.3
105.07024	5.2
107.04970	1.1
107.08601	6.9
109.02865	0.4
109.06497	0.6
109.10154	0.6
113.34659	0.4
115.05447	0.7
116.06246	0.7
117.06966	0.5
118.93877	0.3
119.08550	1.9
121.06514	1.7
121.10216	3.7
123.04441	0.3
123.08089	0.9
127.03950	0.4
129.06976	1.4
131.04929	0.4
131.08563	5.5
133.02864	0.7
133.06459	0.4
133.10129	1.7
134.07262	0.5
135.08073	1.8
135.11694	0.7
136.08849	0.4
137.05951	0.7
137.09604	0.7
141.06975	0.6
145.06514	0.5
145.10185	1.8
147.08075	0.5
147.11714	0.5
149.09618	100.0
150.09937	2.1
159.04440	0.7
159.08023	1.3
159.11690	0.9
161.02348	0.5
161.09610	5.9
163.11247	0.5
167.79817	0.4
169.06580	0.5
173.09587	0.7
173.13257	1.2
175.11186	0.9
175.14874	0.3
177.05496	1.1
177.09036	1.9
179.03430	0.4
179.10666	5.3
179.62944	0.3
185.06009	0.3
187.11317	0.3
187.14789	0.9
191.03394	10.8
191.14378	0.4
197.05969	0.4
205.16014	0.4
215.06978	1.6
215.14349	1.2
233.07945	3.1
233.15355	15.4
233.18887	0.7
233.22232	1.2
234.15654	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1899
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
53.03934	3.6
55.01853	1.3
55.05274	1.0
55.05510	12.8
57.03427	3.7
57.07071	6.7
61.11732	0.7
65.03928	1.0
67.05503	34.5
68.81123	0.9
69.06739	0.9
69.07070	11.1
69.70880	2.8
71.04972	5.2
71.08628	1.1
77.03930	0.9
79.05490	62.2
81.07053	39.1
83.04984	1.6
83.08618	7.0
85.06539	6.4
89.36442	0.8
91.05476	36.1
93.07039	75.9
94.07366	1.1
95.04958	5.5
95.08602	27.0
97.06522	7.1
97.10143	2.0
99.08099	4.8
105.07030	24.9
107.08590	45.1
108.08885	0.8
109.06506	3.8
109.10151	11.3
111.08073	7.6
113.09645	1.6
117.07013	12.9
119.08571	20.0
121.06505	0.8
121.10136	39.8
123.08057	3.7
123.11700	7.5
125.09611	2.5
129.06972	1.3
131.08562	25.1
133.10127	20.6
135.08109	3.8
135.11687	47.1
137.09602	4.3
137.13261	1.7
139.11226	1.6
143.08565	1.1
144.09335	0.9
145.10120	24.2
147.10614	1.3
147.11681	15.1
149.09625	5.8
149.13251	22.2
151.11159	4.0
159.11691	21.3
160.36714	0.8
161.13278	6.0
163.11165	2.7
163.14880	0.8
171.11699	1.5
173.13263	16.6
175.14818	3.9
177.12691	1.7
187.14813	7.7
189.16338	3.9
191.14360	2.2
205.15932	0.8
205.19504	3.7
215.17943	62.4
216.18340	1.6
233.15262	3.3
233.18985	100.0
234.19322	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	234.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70119	0.3
53.70773	0.2
55.05507	1.1
56.17231	0.3
56.96565	0.6
57.03431	1.3
67.05480	0.5
69.33292	1.9
78.58590	0.3
79.05491	1.6
81.07054	4.8
82.60798	0.3
83.04956	0.3
85.02917	0.5
91.05483	1.1
93.07050	0.4
94.04051	1.3
95.04984	0.8
95.08604	0.4
98.97573	2.1
99.08090	0.4
103.05435	0.3
105.07021	0.7
107.08595	0.7
109.06457	0.3
110.97598	0.3
115.05501	0.3
116.98576	0.6
117.05714	0.3
117.07022	0.3
118.06525	2.4
119.03542	3.5
119.08614	0.7
120.08096	2.7
121.10240	0.3
123.08154	0.3
128.06212	0.4
129.07030	0.3
130.06499	0.4
132.08066	3.9
133.06448	0.3
133.08902	2.6
133.09831	0.5
134.09669	0.3
136.06180	100.0
137.04636	2.1
137.05733	0.6
137.06621	0.7
144.08054	0.5
145.10094	0.3
146.06000	7.0
147.08095	0.3
148.07494	0.6
149.05986	0.4
156.66830	0.3
158.99693	0.6
160.07573	1.1
160.29135	0.3
161.06090	0.3
161.08365	1.1
162.09120	1.8
162.12766	1.2
162.72481	0.3
171.11674	0.3
174.09061	0.3
175.07510	0.4
176.06993	0.3
176.10686	3.2
177.00679	0.6
177.11505	3.7
188.07016	0.4
189.09071	0.6
190.08626	9.9
190.10724	0.7
190.12296	3.9
199.07574	0.4
204.10153	0.6
205.11008	0.8
206.15303	0.4
217.08592	0.4
234.13423	39.2
234.15105	21.9
235.13663	1.2
235.15504	0.4
235.17224	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.0
57.03197	0.2
57.03440	1.4
65.22109	0.2
70.03442	0.4
70.03788	0.6
76.43432	0.3
79.05499	1.2
81.07060	4.2
94.04061	1.6
99.08087	0.3
103.68467	0.2
104.66971	0.3
119.03558	4.0
136.06189	100.0
137.04597	1.6
137.06628	0.6
148.06178	0.3
163.84175	0.3
189.05443	0.3
190.10876	1.2
204.53717	0.3
210.88380	0.3
212.72960	0.2
216.12442	0.3
217.82211	0.3
219.67691	0.2
220.68921	0.2
222.53284	0.2
234.13501	58.3
235.13789	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1487
Annotation	Crispine A
Peak:m/z	Relative Intensity
53.07191	0.4
55.05519	1.3
57.03444	1.7
59.89105	0.4
60.94077	0.4
67.05507	0.5
69.13023	3.8
79.05495	2.4
81.07054	5.5
85.02880	0.6
91.05486	1.3
93.07041	0.7
94.04084	2.0
95.08610	0.5
97.06545	0.5
98.23390	1.0
98.97599	2.1
105.07002	1.0
107.08620	1.0
116.98653	0.7
117.05733	0.6
117.07050	0.5
118.06532	4.4
119.03562	3.1
119.08648	0.7
120.08104	2.0
128.06287	0.5
130.06482	0.7
132.04480	0.7
132.08095	8.7
133.06535	0.9
133.08879	6.1
134.09671	1.0
136.06183	100.0
137.04590	2.7
143.08528	0.6
144.08105	0.7
145.10207	0.8
146.06001	16.4
146.09650	0.9
147.75284	0.5
148.07564	0.9
160.07591	1.5
161.08366	3.2
161.09561	0.6
162.09126	4.0
162.12766	3.3
172.11235	0.7
174.09135	0.8
175.07515	0.5
176.07019	1.0
176.10699	10.5
177.00694	1.0
177.11494	10.3
189.09178	0.6
190.08632	24.8
190.12279	11.4
190.13931	0.9
204.10246	1.3
205.11002	1.9
206.15437	0.9
234.13193	24.0
234.15285	84.0
235.13379	0.9
235.15224	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	7,10-Epoxy-ar-bisabol-11-ol
Peak:m/z	Relative Intensity
53.03931	0.8
55.01857	2.5
55.05276	0.9
55.05513	13.9
57.03416	1.5
57.07071	2.0
59.04968	0.7
59.47972	1.0
67.05506	4.8
67.50576	0.8
68.05806	0.8
68.99774	3.3
69.03407	3.6
69.07071	3.9
71.04970	3.1
79.05492	8.4
81.03367	1.0
81.07063	6.5
83.04962	3.2
85.06512	1.1
87.00835	8.8
91.04971	1.1
91.05485	11.9
93.07044	16.3
95.04971	10.0
95.08605	4.9
97.06519	3.2
98.40942	0.8
103.04903	1.0
103.05477	12.5
105.07036	13.5
107.04931	1.6
107.08598	13.8
109.02899	1.0
109.06494	3.0
109.10146	4.5
115.05439	1.8
117.06977	3.1
119.05005	1.1
119.07784	1.1
119.08590	12.0
121.06503	7.2
121.10161	9.1
123.04424	2.5
123.08039	2.0
123.11694	1.1
125.09671	1.3
128.06203	2.9
129.06970	2.4
131.04916	7.2
131.08582	5.6
133.06480	1.6
133.10129	9.1
134.07205	1.4
135.08026	2.8
135.11696	4.4
136.11224	1.0
136.90376	0.8
137.05946	1.8
137.09584	2.8
137.10716	1.4
141.06970	0.9
143.08597	4.4
143.50513	0.8
145.06470	1.7
145.10085	2.5
147.04405	1.6
147.08061	3.8
147.11691	5.4
149.02267	1.1
149.05940	2.8
149.09619	100.0
150.09956	2.3
151.11122	2.0
153.07005	1.3
153.12805	1.1
157.10094	4.1
159.11662	3.5
160.05180	1.1
161.05948	3.6
161.09615	6.6
161.13220	1.7
162.10381	2.1
163.07578	1.8
163.11203	6.4
165.09082	2.3
171.08040	2.2
171.11650	2.5
173.13206	2.7
174.06796	1.0
175.07512	3.0
175.11131	3.2
175.14812	5.4
177.12737	1.9
179.10703	4.0
181.06554	1.3
181.12242	1.4
189.09100	2.5
189.12697	2.7
189.16364	2.7
191.07007	1.9
193.08586	2.0
193.12286	1.1
199.07652	1.6
199.11237	1.2
199.14796	3.5
207.08035	1.8
217.12221	1.6
217.15887	8.5
227.48413	0.8
235.07561	2.0
235.13179	2.7
235.16891	60.3
236.14964	1.6
236.17249	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	235.1693
Annotation	10-epi-7,10-epoxy-ar-bisabol-11-ol
Peak:m/z	Relative Intensity
53.03949	2.0
55.01866	2.3
55.05519	10.6
57.03433	1.7
57.07065	3.8
58.06601	2.1
59.05005	22.5
62.42184	1.2
65.03922	1.5
67.05190	1.3
67.05511	18.5
69.03420	3.9
69.07079	7.6
71.05006	5.9
74.50082	1.1
79.05498	9.1
81.04548	2.0
81.06587	1.8
81.07062	29.9
83.04996	6.3
83.08624	1.5
84.45731	1.1
85.06525	4.0
87.04483	1.4
91.05475	15.7
93.07047	29.8
94.84005	1.0
95.04982	6.7
95.08611	42.4
96.08902	1.3
97.06527	8.4
97.10173	2.6
98.46298	1.0
99.08080	2.6
105.04493	1.8
105.07039	27.1
107.04966	1.3
107.08604	23.2
109.06526	9.6
109.10154	10.4
111.04456	10.5
111.08090	3.8
113.06055	5.4
115.05494	1.7
117.07020	3.6
119.08585	32.7
121.06515	3.7
121.10161	12.9
123.04409	1.3
123.08069	13.3
123.11708	9.2
125.09679	5.7
128.06219	1.4
129.07019	2.4
131.08580	13.4
133.06497	2.4
133.10138	27.1
135.08018	3.5
135.11678	2.5
137.09599	5.1
139.07532	3.2
141.09076	3.5
142.07777	2.1
143.08551	5.6
145.10127	9.6
147.08057	4.1
147.11696	25.4
149.09607	7.6
149.13258	7.0
150.32530	1.1
151.11162	2.0
156.09352	1.7
157.06456	1.5
157.10075	7.0
159.11716	16.5
160.05211	1.4
161.05966	4.4
161.09651	6.5
161.13239	6.9
163.11203	2.9
163.48210	1.2
165.09082	1.9
171.08014	2.3
171.11678	7.0
173.13239	5.3
175.07564	2.2
175.11134	7.7
175.14845	7.5
177.12752	4.1
179.10672	4.1
189.09064	3.0
189.12796	8.1
189.16380	13.9
199.07545	1.4
199.14784	7.1
217.12306	2.4
217.15897	24.7
235.07587	2.8
235.13461	7.2
235.16931	100.0
236.14861	6.2
236.17290	4.4
259.78009	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1693
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
53.03938	3.2
55.05511	76.6
57.07078	9.6
59.04982	4.7
59.07383	1.6
59.22423	1.3
59.74734	1.4
67.05499	4.8
67.25420	1.3
69.03422	4.9
69.07066	9.3
69.46792	5.0
71.04991	2.5
73.29076	1.3
79.05494	13.6
81.07054	20.7
83.04979	16.9
85.02895	1.8
85.06513	2.7
91.05494	12.3
93.07048	19.0
95.04966	13.1
95.08602	15.2
97.06541	9.8
103.05467	1.4
105.07021	22.7
106.81505	1.3
107.04924	2.0
107.08585	23.5
109.06515	9.2
109.10175	9.8
111.08089	1.5
115.05421	1.7
115.91756	1.3
117.07005	4.4
119.08583	24.7
121.06524	2.5
121.10138	11.9
123.08070	6.4
123.11646	1.5
125.05988	26.4
125.09636	1.8
128.06218	1.9
129.06993	3.0
131.08575	7.9
133.06477	2.1
133.10117	24.6
133.11656	1.5
135.08049	22.6
135.11688	5.9
136.08804	1.9
137.05951	2.1
137.09639	7.3
142.07767	2.2
143.08546	5.8
145.10069	6.8
146.07227	1.9
147.08009	6.6
147.11670	9.4
149.09608	23.2
151.11166	3.0
157.10136	6.5
159.11679	5.3
161.09605	29.3
161.13232	4.1
162.10344	5.8
163.11134	8.1
165.12920	1.9
171.11673	3.4
173.13251	4.2
175.11176	9.9
175.14777	7.6
179.10667	84.1
180.11169	2.3
189.12753	3.2
189.16357	14.4
193.15904	3.2
199.14812	7.5
217.15866	77.5
218.16168	4.0
235.11006	2.5
235.16922	100.0
236.14870	5.8
236.17221	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	235.1692
Annotation	(3E,12Z)-Laurediol
Peak:m/z	Relative Intensity
53.03947	7.1
55.01873	2.3
55.05511	5.7
56.92182	0.6
57.03436	0.9
57.07062	1.7
59.05004	0.8
65.03930	1.5
67.05505	27.5
68.75694	0.6
68.77096	0.7
69.03432	12.2
69.07072	5.0
71.04988	2.0
71.29646	0.9
71.30000	0.8
74.64934	0.6
77.03909	1.4
77.43484	0.7
79.05492	52.1
79.64144	0.7
81.03419	1.2
81.07053	19.4
83.04980	3.2
83.08615	3.0
85.06535	2.0
91.05479	45.8
92.05838	0.9
93.07043	100.0
94.07365	2.0
95.04962	8.9
95.08613	12.8
97.05872	0.7
97.06522	2.2
97.10162	1.2
99.08057	0.7
105.04499	3.5
105.07024	10.9
107.04935	0.9
107.08596	27.4
107.09295	1.6
108.89712	0.7
109.06507	3.0
109.10148	5.0
111.04450	0.6
117.07030	4.3
119.08591	13.9
121.06520	1.8
121.10143	39.1
122.10480	0.8
123.04439	1.1
123.08072	2.0
123.11699	0.9
129.06985	2.3
131.08575	5.3
133.10127	15.1
133.91461	0.8
135.08076	3.5
135.11685	8.0
137.09578	2.5
143.08540	2.4
145.10120	2.4
147.08029	3.3
147.11707	2.2
149.09653	2.5
151.11165	1.5
153.09108	1.0
157.10144	2.3
159.11699	0.7
161.09625	1.6
161.13213	1.3
171.11685	2.3
173.13174	1.4
175.11217	1.9
175.14824	5.0
179.10677	2.2
189.12718	1.6
189.16414	3.9
193.08559	1.5
193.12209	1.4
196.40698	0.7
199.14789	5.8
205.10118	1.0
207.17461	0.8
217.15913	4.7
220.12503	1.2
235.13089	1.5
235.14946	1.9
235.16908	39.5
236.14960	2.4
236.17174	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	(3Z,12Z)-Laurediol
Peak:m/z	Relative Intensity
50.00338	1.0
51.02390	1.1
53.03952	8.0
55.01857	2.2
55.05517	11.5
57.03414	2.2
57.07075	12.2
59.04966	1.0
65.03926	2.6
67.05506	37.7
68.55852	1.4
68.96725	1.1
69.03429	51.7
69.07063	10.6
69.54562	5.7
71.04977	3.6
71.49570	1.2
77.03922	1.3
79.05492	54.1
80.05813	1.6
81.03418	2.0
81.06586	2.2
81.07056	33.9
83.04970	4.3
83.08617	4.6
85.06532	4.4
87.65157	1.0
91.05482	49.8
92.05782	1.8
93.07043	100.0
95.04972	10.5
95.08609	23.6
97.06552	5.6
97.10145	2.2
98.22621	1.5
100.67896	0.9
105.04510	3.1
105.07031	18.2
107.04956	1.7
107.08595	37.1
109.06506	6.4
109.10153	7.8
111.08057	1.8
117.07024	7.5
119.08588	16.9
121.06487	2.1
121.10143	46.1
122.10506	1.4
122.49480	1.1
123.04421	1.4
123.08044	6.4
123.11698	2.2
125.05994	2.1
128.06198	1.3
129.06981	4.2
131.08600	8.6
133.10127	24.4
135.08047	4.9
135.11699	9.6
137.09604	3.8
139.07556	1.5
143.08572	3.4
145.10097	4.3
147.07997	2.6
147.11687	5.7
149.09618	2.2
149.13222	1.9
151.07487	1.8
151.11186	3.5
153.09099	2.7
157.10120	3.5
159.11752	1.3
161.05986	2.3
161.09605	1.9
171.11667	2.3
173.13274	3.0
175.11186	2.7
175.14818	7.1
179.07036	4.9
179.10693	2.2
180.07782	1.6
189.12720	2.1
189.16409	6.3
190.08728	1.1
193.08601	2.2
193.12186	2.8
199.14857	7.5
207.17461	2.4
217.12231	1.7
217.15909	5.9
219.12369	1.5
220.12416	1.4
235.11003	2.3
235.13287	8.9
235.16922	57.2
236.14932	2.0
236.17184	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1693
Annotation	(3Z,12Z)-Laurediol
Peak:m/z	Relative Intensity
53.03943	7.6
55.01873	4.7
55.05514	24.3
55.91352	2.0
57.03414	3.7
57.07076	17.5
63.47457	1.8
65.03934	3.2
67.05179	2.5
67.05509	26.6
69.03431	3.7
69.07072	16.5
71.04992	6.2
73.06561	2.1
79.05499	83.0
81.03410	2.8
81.07061	71.6
81.38827	1.7
83.04989	3.6
83.08630	11.1
85.06544	2.4
91.05485	46.1
93.07049	67.7
95.04971	8.6
95.08046	3.4
95.08611	35.5
97.06554	4.9
97.10182	2.4
99.08074	2.7
105.04514	2.8
105.07036	31.5
107.04958	2.7
107.08602	70.3
109.06516	32.7
109.10168	10.3
111.08090	5.2
117.07028	7.6
119.07784	2.7
119.08591	39.4
121.06518	5.0
121.09301	3.0
121.10148	43.6
122.07288	5.4
123.04442	6.9
123.08068	13.0
123.11652	2.2
125.09654	2.1
129.06999	3.8
131.08568	6.4
133.06517	2.0
133.10146	26.2
135.08064	7.5
135.11696	8.9
137.05994	2.1
137.09622	4.0
143.08580	5.0
145.10162	5.6
147.08043	4.0
147.11671	6.6
149.09669	4.7
149.13269	1.9
151.07523	3.8
151.11195	2.2
157.10114	7.1
161.06056	2.3
161.09615	5.9
161.13219	2.9
162.06689	2.3
165.12733	4.8
171.11658	5.4
173.13266	4.7
175.07574	2.7
175.11201	6.2
175.14819	15.3
179.07059	4.0
179.10689	5.7
180.10202	2.5
189.12759	4.7
189.16383	8.6
193.12256	2.2
198.81898	1.8
199.14853	12.9
217.15848	9.9
235.11131	3.5
235.13240	20.9
235.16934	100.0
236.14960	3.1
236.17258	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1693
Annotation	5-(4-Hydroxy-5-methyl-1-methylene-5-hexenyl)-2-methyl-2-cyclohexen-1-one
Peak:m/z	Relative Intensity
53.03941	1.3
55.01872	0.8
55.05511	7.1
57.03434	0.5
57.07075	1.8
58.48530	0.4
59.05010	1.4
65.03944	1.7
67.05505	15.6
69.03439	2.6
69.07069	10.8
69.32417	2.8
71.04992	100.0
72.05321	1.0
72.11117	0.4
73.04733	0.6
76.86890	0.5
77.03904	0.5
79.05494	7.2
79.71976	0.5
81.07056	10.7
83.04982	1.5
83.08631	0.6
85.06547	0.9
90.64307	0.5
91.05476	7.7
93.07043	27.1
95.04964	10.0
95.08601	5.9
97.06532	7.1
103.05480	0.8
105.04530	0.7
105.07022	11.4
107.04992	0.6
107.08580	6.0
109.06511	9.5
109.10162	2.2
111.08100	1.6
113.06032	0.6
115.05482	0.7
117.07035	1.6
119.04840	0.6
119.06087	0.5
119.08578	10.9
121.06564	0.7
121.10143	16.6
123.08068	19.4
123.11714	1.2
125.06019	1.3
125.09650	0.9
128.06247	0.7
129.07010	1.2
131.08568	2.7
133.06540	0.8
133.10130	12.1
135.08078	2.3
135.11751	0.8
136.06213	1.1
137.05865	0.9
137.09619	3.9
138.11902	0.5
142.07784	1.4
143.08548	2.6
144.09396	0.5
145.10141	3.2
146.07222	0.6
147.08035	4.3
147.11687	4.9
149.09613	16.5
151.11212	0.8
153.09221	0.5
156.09361	0.9
157.10112	3.1
159.11713	2.1
161.06006	1.0
161.09627	15.3
162.10397	6.1
163.11223	1.4
165.12794	0.9
167.10686	0.8
171.08083	0.5
171.11714	2.2
173.13306	1.7
175.07648	0.8
175.11186	2.5
175.14861	1.5
177.12723	0.9
179.10641	3.7
184.12543	0.6
189.05470	0.8
189.09010	0.6
189.12778	1.0
189.16428	1.3
199.14798	2.4
207.08138	0.6
216.84894	0.5
217.15880	8.7
231.97018	0.5
235.07613	0.9
235.13329	3.7
235.16925	14.3
236.15030	1.9
236.17126	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
53.03938	3.4
55.01867	2.3
55.05511	92.4
57.03429	2.9
57.07076	16.0
59.04998	8.1
61.46365	1.6
65.03909	1.3
67.05511	8.8
69.03406	4.8
69.07058	9.5
69.15268	5.3
69.15688	6.1
71.04978	3.1
79.05485	12.4
80.05024	1.4
81.03416	3.6
81.07055	21.4
83.04974	23.3
85.06534	4.4
87.03368	1.3
91.05480	16.6
93.07037	15.2
95.04967	15.2
95.08624	10.9
97.06532	19.0
97.96920	1.3
98.22598	2.9
105.07027	26.0
107.04968	4.0
107.08596	21.5
109.06522	12.2
109.10144	5.1
111.04454	2.9
115.05453	3.3
117.06983	3.8
119.08583	26.6
121.02867	2.4
121.06496	5.2
121.10151	9.2
123.08050	4.7
123.11649	1.6
125.05989	32.0
128.06219	3.4
129.06990	3.5
131.08549	5.9
133.06465	3.1
133.10129	24.8
135.08061	28.7
135.11667	4.6
136.08698	2.6
136.11249	5.2
137.05957	5.7
137.09596	9.7
139.03914	1.4
142.07774	2.1
143.08534	6.4
144.09322	1.9
145.10121	5.5
147.08073	9.5
147.11684	7.7
149.02350	2.1
149.09613	25.7
151.07597	2.4
151.11168	6.8
156.09319	1.7
157.10100	8.9
159.11688	8.5
161.05980	4.4
161.09605	35.3
161.13278	2.0
162.10403	6.9
163.11221	8.4
171.11699	5.0
173.13261	3.3
174.13904	2.0
175.11183	14.6
175.14827	6.6
177.12764	3.4
179.10663	96.5
180.11191	1.6
181.12198	2.0
187.11064	1.5
189.12737	4.2
189.16351	5.2
191.07079	2.4
199.14847	2.7
202.13483	3.5
206.08395	1.8
217.15874	99.3
218.16154	3.8
235.08771	2.4
235.13109	4.0
235.16910	100.0
236.14931	4.2
236.17250	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	235.2056
Annotation	Nor-ent-labdan-7-en-aldehyde
Peak:m/z	Relative Intensity
53.03942	2.0
55.05514	14.8
57.03427	3.4
57.07075	18.0
58.94697	0.8
65.03929	2.5
65.52379	0.9
67.05502	88.1
68.05821	1.0
69.07064	14.5
69.54374	3.6
71.04979	3.4
71.08629	6.6
79.05492	27.9
81.07055	100.0
82.07365	1.4
83.04959	3.1
83.08623	9.9
85.06542	14.0
85.10175	4.1
91.05476	27.5
93.07040	27.9
95.04956	2.7
95.08603	78.2
97.06526	9.4
97.10149	2.9
99.08095	12.6
105.07026	17.9
107.08595	15.8
107.67645	0.9
109.06522	2.7
109.10160	26.4
111.08068	7.5
113.09648	7.6
117.07014	1.2
119.08584	19.4
119.09445	1.2
121.10136	20.5
123.08047	5.6
123.11703	19.4
125.09570	1.4
127.11154	1.7
133.10124	26.1
135.11697	16.4
137.09607	4.2
137.13254	23.9
139.11145	2.0
147.11694	16.0
149.13257	7.1
151.07559	0.9
151.11147	2.7
151.14824	10.5
151.16054	1.3
153.12718	2.8
161.13257	13.0
163.14845	1.7
165.12758	2.0
175.14819	6.6
177.16284	2.7
189.16342	3.3
191.17929	2.5
194.80884	0.9
217.19514	51.8
220.12491	1.4
235.10971	1.6
235.14922	2.0
235.17110	6.2
235.20549	88.1
236.20911	2.2
249.60352	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10147	0.2
55.01851	0.3
57.03163	0.5
57.03436	9.8
58.06601	21.2
59.05001	0.3
59.07087	0.5
59.07384	9.4
60.08165	6.7
64.81724	0.3
69.63086	1.0
69.63496	0.7
73.02914	1.1
75.04482	4.8
81.10503	0.3
85.02911	2.0
87.04468	6.2
93.05500	0.4
98.23270	0.5
101.05975	0.4
103.03929	0.7
105.05520	1.0
129.05522	0.3
131.07025	2.0
138.56390	0.3
144.10201	1.2
159.06578	0.5
236.14919	100.0
237.15251	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	236.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12092	0.1
54.97612	0.1
55.01874	0.4
56.05037	0.2
57.03437	9.7
58.06600	20.8
59.05005	0.2
59.07382	9.7
60.07104	0.1
60.08165	7.1
69.48331	0.1
69.55849	0.6
69.56212	0.2
73.02912	1.2
75.04480	4.7
84.08135	0.1
85.02910	2.0
87.04468	6.4
93.05515	0.6
101.06016	0.3
103.03944	0.7
103.35322	0.1
105.05518	1.1
118.25081	0.2
131.07043	1.9
144.10194	1.2
159.06505	0.3
162.11243	0.4
218.13890	0.3
236.14914	100.0
237.15280	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	236.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26788	0.3
55.01862	0.6
57.03444	7.8
58.06604	17.0
59.05010	0.3
59.07384	8.0
60.08173	5.5
64.33665	0.3
69.64926	0.9
73.02909	0.6
75.04482	4.5
85.02901	1.4
87.04471	5.7
93.05546	0.4
103.03911	0.5
105.05515	0.7
118.06891	0.3
131.07056	1.3
131.35722	0.4
144.10188	1.3
148.08696	0.3
148.69717	0.3
159.06520	0.5
202.89462	0.3
236.14934	100.0
237.15240	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1486
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
53.03917	2.6
55.01848	4.2
55.05512	50.4
57.03430	3.3
57.07067	4.7
67.05505	29.1
69.03406	7.9
69.07073	24.2
71.04974	4.5
71.29961	2.8
79.05140	2.2
79.05493	20.4
80.07883	1.8
81.03404	5.3
81.07059	35.7
83.04987	60.2
83.08159	4.4
83.08620	60.8
85.02888	3.4
85.06551	3.1
85.10177	4.2
88.93128	1.9
89.85934	2.0
91.05481	20.0
93.07042	34.1
95.04971	15.8
95.08619	29.9
97.06522	14.4
98.74232	2.2
99.04437	3.0
99.08091	3.0
105.07030	21.3
107.04941	3.3
107.08597	44.0
109.06506	16.8
109.10159	40.3
109.66821	2.2
111.04448	30.6
111.08087	12.0
113.05981	3.7
113.09663	11.3
117.06996	7.4
119.08559	14.4
121.06497	33.1
121.10150	26.9
123.08041	6.3
123.11708	11.1
125.05957	8.0
125.09654	16.1
127.07542	10.7
129.06949	2.0
131.08557	13.3
133.10109	20.8
135.08066	19.1
135.11618	5.0
136.07823	3.6
136.08830	49.7
137.09630	37.2
139.07506	10.3
145.10095	3.2
147.11754	2.2
149.09630	5.4
149.13263	30.6
151.11250	4.6
151.14792	3.8
153.09097	11.2
155.10622	4.2
159.07977	3.2
159.11684	23.3
161.09634	19.5
163.14804	7.4
167.14297	9.1
173.13225	9.1
177.09181	2.5
177.12770	34.8
179.10677	97.2
184.61177	2.4
185.20094	2.2
191.14276	7.9
195.11870	3.6
195.13783	65.7
196.16957	2.0
201.12659	4.9
201.16415	2.3
207.11719	2.0
209.09573	3.4
219.13884	10.6
222.02727	2.3
222.81047	2.2
237.09126	5.0
237.12871	4.4
237.14796	100.0
238.15126	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	237.1484
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
53.03926	1.4
55.01861	1.2
55.05503	3.8
57.03438	1.3
57.07072	3.8
59.05006	2.6
67.05499	5.3
69.03419	1.8
69.07061	3.0
71.01352	0.5
71.04978	2.2
71.30501	0.5
79.05489	5.4
79.23041	0.5
81.03413	0.8
81.06587	0.8
81.07051	11.8
83.04966	5.3
83.08613	2.3
85.02900	6.7
85.06535	1.9
85.84280	0.5
91.05482	7.3
93.06474	0.8
93.07037	13.0
94.02944	0.6
95.04967	5.1
95.08601	6.9
97.06528	3.9
97.10173	0.6
98.06108	0.5
99.04451	6.9
99.08086	0.5
105.07018	6.2
107.04980	1.1
107.08591	9.8
109.06512	15.1
109.10148	5.0
111.04466	1.1
111.08078	2.8
113.09643	0.6
115.05395	0.6
117.07042	3.6
119.08578	6.8
121.06502	9.8
121.10148	6.2
123.08050	2.5
123.11715	1.3
125.06006	1.1
125.09614	0.9
127.07526	0.6
129.06966	1.9
130.07784	0.5
131.08562	7.1
133.06496	0.9
133.10121	4.6
135.08051	9.9
135.11681	5.2
136.08701	0.5
137.05957	8.7
137.09592	1.9
139.07545	4.2
142.07774	0.6
143.08554	1.2
144.09355	4.4
145.06456	0.7
145.10144	2.4
146.05989	0.6
147.07993	1.0
147.11671	1.1
149.07091	0.8
149.09596	1.6
149.13261	2.8
151.07544	4.5
151.11145	1.5
153.06981	0.8
153.09109	1.4
157.10098	1.1
159.11685	26.9
160.12016	0.7
161.09608	2.5
161.13266	1.3
163.07544	8.9
163.11182	1.4
163.14780	0.7
164.08292	1.2
165.06989	0.9
168.25992	0.5
173.09741	0.7
173.13243	3.5
175.11168	0.9
177.06670	0.8
177.12737	7.8
179.10632	1.7
179.36713	0.5
181.06352	0.8
181.08592	12.6
181.10033	0.8
191.14293	1.8
194.07216	1.0
195.07813	0.8
195.11649	0.8
195.13672	1.1
201.12733	1.7
201.16405	1.1
209.09514	1.2
209.13435	0.6
219.13811	8.2
219.17444	2.2
237.09096	4.7
237.14832	100.0
237.18628	3.4
238.15164	3.3
243.95773	0.5
248.05598	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.185
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03935	3.6
54.00348	2.5
55.01894	3.1
55.05515	30.6
55.32283	2.7
57.03431	4.9
57.07071	11.4
59.04998	38.8
67.05508	30.3
69.03423	8.3
69.07076	29.5
69.42698	16.9
71.04998	8.9
79.05495	24.1
81.07062	67.0
83.04978	30.1
83.08624	9.5
85.06548	7.4
91.05487	16.5
93.07050	73.3
95.04980	4.8
95.08052	4.8
95.08618	65.7
97.06523	20.2
97.10172	6.4
99.08057	6.4
105.07023	37.7
107.07869	5.0
107.08601	95.5
109.06542	17.7
109.10167	31.3
111.08090	9.0
111.11731	8.1
113.09674	4.1
115.07601	4.5
117.07059	4.0
119.08591	31.8
121.10144	48.4
123.08082	10.0
123.11703	22.8
125.09669	7.1
127.07537	4.2
127.11208	6.9
131.08548	11.0
133.10129	28.1
133.20848	3.0
135.08049	5.7
135.11700	100.0
136.12051	4.5
137.09630	8.8
141.09134	5.4
143.10643	3.8
144.06992	2.9
145.10126	24.1
147.11687	16.0
149.13260	38.1
151.11174	8.4
151.14781	4.3
159.11665	18.5
161.13268	35.3
163.11171	9.0
163.14767	3.8
165.06963	3.4
173.13266	9.6
175.14761	8.4
177.12781	10.2
177.16409	8.2
179.14339	4.7
181.12195	5.6
185.97087	2.9
191.14267	3.9
191.17928	15.4
201.16435	25.9
202.52538	3.2
219.13924	3.5
219.17461	60.9
235.80914	3.5
237.09068	6.7
237.12830	4.7
237.14923	13.1
237.18495	55.5
239.44733	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	237.1848
Annotation	Sirenin
Peak:m/z	Relative Intensity
51.97248	1.9
53.03945	3.7
55.01871	4.7
55.05510	12.1
57.03436	4.5
57.07089	5.0
57.51973	1.9
59.04993	5.8
67.05502	26.9
68.52917	2.3
69.03429	14.8
69.07073	9.7
71.04993	32.8
79.05497	18.1
81.07056	100.0
83.05003	3.3
83.08596	4.2
85.06530	6.6
91.05479	20.1
93.07045	59.6
95.04990	9.8
95.08611	32.1
97.06540	6.0
99.04477	1.9
99.08089	32.0
102.38549	2.1
105.07034	25.1
107.04963	3.0
107.08594	33.9
109.06531	14.3
109.10158	30.1
110.08440	2.1
111.08073	3.6
113.06006	6.2
115.05470	4.9
117.07041	4.3
117.53661	2.1
119.08556	16.2
121.10141	14.3
123.08085	7.1
123.11717	33.8
125.09620	8.3
127.07538	16.5
127.11203	21.4
131.08560	7.5
133.10133	48.1
135.08002	2.8
135.11679	12.0
137.09616	3.2
139.11223	3.0
143.04942	2.9
143.10710	5.0
144.05707	8.3
145.10159	10.9
147.11722	12.7
149.07089	2.2
149.09644	5.2
149.13243	8.0
151.11179	60.6
153.07011	2.4
155.10674	8.7
159.11728	11.8
161.13281	5.8
163.05043	2.4
163.11208	3.5
165.07031	5.4
165.12752	4.3
166.07784	3.2
169.12265	3.7
173.13261	3.9
175.14902	2.9
177.12793	3.6
177.16393	3.6
181.06567	4.7
181.08530	2.5
181.10086	3.7
189.06966	4.5
190.07797	6.6
191.08575	14.9
191.14253	2.7
191.17940	3.6
194.07300	9.2
195.08075	3.3
201.16467	10.1
205.06448	2.6
209.09647	12.8
218.07332	7.0
219.08049	25.1
219.13895	3.7
219.17465	26.7
229.07625	4.1
237.09106	47.0
237.11250	3.9
237.14711	4.6
237.18469	31.8
238.16037	4.3
238.18596	2.3
253.54628	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	237.1848
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03939	4.3
55.01876	7.6
55.05508	20.3
56.05017	2.9
56.37926	2.5
57.03439	9.2
57.07067	7.8
59.04991	5.6
62.42281	2.8
65.03937	2.9
66.03455	3.2
67.05508	38.4
69.03429	20.5
69.07072	22.2
69.51004	17.6
71.04991	38.2
79.05497	30.4
80.05029	4.2
81.03421	9.8
81.07056	100.0
82.07410	3.5
83.04989	12.8
83.08620	6.1
84.04503	3.9
85.02914	5.0
85.06538	8.3
91.05485	41.1
93.07043	81.6
94.02941	13.2
94.06566	3.0
95.04955	17.8
95.08606	47.7
97.06554	11.8
97.10164	4.7
98.23285	4.5
99.04432	5.4
99.08088	27.2
105.07029	60.9
107.04969	8.8
107.08589	49.2
109.06509	23.8
109.10141	39.5
110.89278	2.7
111.04462	3.2
111.05586	7.5
111.08076	8.4
113.06026	6.4
115.05467	9.2
115.07506	3.1
117.07012	18.5
119.04926	3.1
119.08591	27.5
120.08105	3.0
121.06532	9.2
121.10149	30.0
121.68083	2.9
123.08089	14.3
123.11699	36.2
124.69629	2.9
125.09663	12.0
127.07610	11.1
127.11225	23.2
131.08549	18.0
133.10130	72.3
134.06033	6.2
134.10535	2.7
135.08046	28.5
135.11722	14.2
137.05959	3.1
137.09648	8.5
139.11169	6.0
143.05009	3.5
143.10721	5.9
144.05679	11.0
145.06479	3.4
145.10147	22.7
146.05949	5.8
147.11723	16.9
149.05968	4.9
149.07072	23.3
149.09567	14.3
149.13281	8.4
151.05057	3.3
151.11179	64.7
151.12323	4.9
153.09109	2.8
155.10713	7.9
159.11673	19.5
161.13280	12.4
163.05026	7.9
163.07480	4.6
163.11195	10.2
165.01672	3.0
165.07059	6.0
166.07797	5.2
167.03362	3.9
167.08626	3.5
173.09650	5.8
173.13297	16.4
175.14795	4.5
175.89523	2.9
177.06618	14.5
177.09158	4.8
177.12766	10.9
179.08598	4.9
179.14276	4.3
181.06473	7.3
181.08650	3.7
181.10100	5.6
189.06984	3.4
190.07777	10.2
191.08574	21.4
191.10736	9.3
191.14377	9.1
191.17953	6.7
193.13445	3.4
194.07262	15.0
195.07748	10.5
195.11658	3.5
201.12730	3.3
201.16388	19.1
202.07756	3.3
205.06209	8.1
209.09415	22.7
210.02303	8.4
218.07353	9.7
219.08086	37.2
219.10020	5.5
219.13832	11.6
219.17413	48.8
220.08408	3.3
229.07538	4.2
237.05373	5.0
237.09033	81.4
237.11221	15.0
237.14719	30.2
237.18471	57.1
238.01721	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	237.185
Annotation	Pseudotsugonal
Peak:m/z	Relative Intensity
51.75508	1.9
53.03929	1.9
55.01854	1.5
55.05502	4.5
57.03435	2.8
57.07075	100.0
59.05005	1.8
65.03960	2.0
67.05508	13.5
68.76025	1.4
69.07066	7.4
71.04990	5.6
71.29559	2.6
79.05495	12.9
81.03414	3.6
81.07057	23.0
83.04974	3.3
83.08617	2.3
85.02925	2.3
85.06544	96.2
91.05478	14.0
93.07042	33.9
95.04976	6.1
95.08608	14.1
97.06548	2.1
98.06052	2.0
99.04454	12.2
105.07023	7.8
107.04955	2.0
107.08596	40.8
109.06495	10.8
109.10164	15.1
111.04408	2.3
111.08080	2.2
113.06009	7.6
117.07020	6.9
119.08580	87.5
121.10134	8.4
123.08097	1.7
123.11662	3.3
127.11192	4.7
131.08545	3.5
133.10124	3.2
135.08070	4.3
135.11688	16.9
137.09615	69.0
137.13286	2.2
138.09953	1.6
139.07451	1.6
145.10109	8.4
149.02353	4.7
151.11168	15.0
155.10658	45.1
155.11862	3.1
157.10147	1.5
159.11723	3.2
161.09630	1.7
161.13229	3.6
163.11208	2.9
164.77956	1.8
165.07014	3.3
179.08583	2.1
181.06461	2.2
181.10159	2.3
187.28828	1.4
188.90569	1.5
189.26578	1.7
191.18042	1.7
193.05069	3.0
194.07246	3.4
195.07846	1.8
201.16437	3.5
209.09689	7.3
219.13832	3.2
219.17424	8.1
237.05571	3.3
237.09090	19.2
237.12656	5.0
237.14598	11.8
237.18436	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	237.1848
Annotation	Atlantolone
Peak:m/z	Relative Intensity
51.64123	4.0
55.05515	22.9
57.07071	8.7
59.05001	43.4
67.05510	21.1
69.03423	3.6
69.07072	28.8
69.87427	12.3
71.04978	9.7
79.05476	16.5
79.47313	3.8
80.04977	3.2
81.07057	68.5
83.04999	18.5
83.08609	8.2
85.06535	4.9
91.05463	14.4
93.07047	52.6
95.04955	4.7
95.08602	64.0
97.06518	21.8
97.10171	8.4
99.08077	4.4
105.07012	33.3
107.08595	77.9
109.06515	16.0
109.10158	23.5
111.08075	4.8
111.11715	10.4
113.09647	3.8
115.07561	5.4
117.06979	6.2
119.08589	34.0
121.10146	38.6
123.08044	8.4
123.11705	23.7
125.09618	12.3
127.11176	9.3
133.10121	27.2
135.08052	4.3
135.11688	100.0
137.09631	5.2
143.10667	6.9
145.10101	20.2
147.11699	15.6
149.13274	35.6
151.11220	5.1
159.11711	21.8
161.13243	39.9
163.11154	11.5
175.14830	5.3
177.12787	8.0
177.16379	12.7
179.14256	4.3
191.14229	5.7
191.17963	10.9
201.16400	26.1
214.21988	3.1
219.17429	62.5
237.14789	16.9
237.18517	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1849
Annotation	Sirenin
Peak:m/z	Relative Intensity
52.29375	1.5
53.03954	3.6
55.01865	4.1
55.05508	11.4
57.03441	3.4
57.07073	5.7
57.17394	1.6
59.05011	7.8
65.03929	1.9
67.05507	24.0
69.03431	10.3
69.07062	14.7
70.26383	6.0
71.04993	28.9
79.05497	21.6
81.03428	3.2
81.07061	95.9
83.04993	3.9
83.08633	7.3
85.06538	8.4
91.05482	20.6
93.07047	76.4
95.04994	11.3
95.08614	44.2
95.39832	1.8
97.06535	8.0
97.10172	3.4
98.57251	1.5
99.08096	22.3
105.07037	34.9
106.07390	2.0
107.04952	4.2
107.08602	52.5
109.06525	17.7
109.10162	33.0
111.08093	6.6
113.06004	8.1
115.05479	3.3
115.07580	2.3
117.07031	8.0
118.49538	1.9
119.08579	23.0
120.08075	1.9
121.06530	4.8
121.10154	18.7
123.08092	5.8
123.11713	45.4
125.09634	8.0
127.07549	10.9
127.11219	15.3
131.08571	9.5
133.08592	1.9
133.10141	49.4
135.08051	12.4
135.11690	14.8
137.05978	5.5
137.09657	3.5
139.11255	3.3
143.10703	4.4
144.05737	5.8
145.10112	15.7
147.11679	12.1
148.07526	4.2
149.09613	2.9
149.13283	9.5
151.11185	100.0
155.10666	4.1
159.11732	13.3
161.13318	8.5
163.07558	2.9
163.11192	7.8
164.09468	4.6
165.12796	3.9
173.13298	6.8
175.14893	1.9
177.09058	2.1
177.12775	2.4
177.16380	3.3
179.14311	3.2
181.06482	2.5
181.10196	2.4
189.06702	2.3
190.07727	2.9
191.08443	8.8
191.14343	3.0
191.17989	5.4
192.69102	1.9
194.07257	3.5
201.16345	12.0
207.11388	2.3
209.09669	5.0
218.07288	3.2
219.08052	11.8
219.13937	3.3
219.17439	34.7
220.17847	2.1
237.09145	19.3
237.12334	12.6
237.15118	8.1
237.18495	48.0
238.18388	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.185
Annotation	Sirenin
Peak:m/z	Relative Intensity
55.01863	4.5
55.05516	18.9
55.35564	3.8
56.90468	3.9
57.07079	13.2
67.05523	20.0
69.03444	25.9
69.07075	14.7
71.04999	51.8
79.05506	24.2
81.07063	69.7
83.04986	9.5
83.08650	6.1
83.18542	4.1
85.06538	5.6
91.05480	23.4
93.07045	46.8
95.04987	9.2
95.08604	37.3
97.06544	10.2
99.08092	28.7
105.07034	57.2
107.08600	57.2
109.06518	21.4
109.10160	32.4
111.08106	3.8
119.08562	21.0
121.10148	50.0
123.08086	11.0
123.11712	25.9
125.09646	12.2
127.07544	14.6
127.11201	43.9
131.08614	15.8
133.10135	100.0
135.11716	18.8
137.09610	32.3
139.11183	9.2
143.10674	12.4
145.10097	24.8
147.11711	14.6
149.09595	4.3
149.13251	23.3
149.65265	4.0
151.11185	75.8
155.10681	11.9
155.20590	3.9
159.11732	15.5
161.13251	7.8
163.11183	4.9
163.14882	4.6
175.14781	6.5
177.12798	5.5
190.53871	4.0
191.18047	3.9
193.58665	4.3
201.16461	13.0
206.77278	3.9
219.17473	19.1
237.09088	6.7
237.14987	4.9
237.18437	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1849
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.03942	1.0
55.01860	0.7
55.05510	3.4
57.03432	1.1
57.07074	1.1
65.03912	0.5
67.05503	4.1
69.03421	1.7
69.07062	3.8
71.04991	9.2
71.29588	0.7
73.06562	0.9
73.42845	0.5
77.03909	0.6
79.05492	7.8
81.03445	1.1
81.07054	9.2
83.04990	0.8
83.08614	1.4
85.02903	1.4
85.06530	1.0
86.91686	0.4
91.05477	8.3
93.07044	19.7
93.07633	1.0
95.04970	1.6
95.08602	8.4
97.06537	2.7
97.10168	0.8
99.08101	2.7
103.05482	1.1
105.07030	19.9
107.04965	1.0
107.08591	33.3
108.08924	0.6
109.06533	3.5
109.10154	10.2
111.08089	2.1
113.09661	1.5
117.06998	2.2
119.08578	10.7
120.08117	4.6
121.06506	2.8
121.10157	5.4
123.04419	0.6
123.08035	2.2
123.11732	3.7
125.09624	4.2
127.07578	0.6
127.11168	2.3
129.07022	0.7
131.08554	2.8
133.10127	20.3
135.08054	3.9
135.11681	3.7
136.07507	0.5
137.09630	2.4
138.09145	0.5
139.11198	3.8
145.10110	6.4
147.11670	4.0
149.09625	0.9
149.13263	1.7
151.11179	100.0
152.11508	2.3
157.10115	0.6
159.11687	7.9
161.13245	3.1
161.55051	0.5
163.11198	3.2
163.14818	3.3
164.07037	1.9
165.12761	1.0
166.08643	0.7
173.13258	2.1
174.12779	3.1
175.14807	1.4
177.12746	1.9
177.16367	0.6
181.12337	0.6
191.14290	2.0
191.17967	1.9
192.06534	1.1
192.13884	2.7
201.05560	0.5
201.16406	6.0
210.07680	0.5
219.17422	17.9
237.09177	0.9
237.11659	0.6
237.12570	0.7
237.15062	3.7
237.18489	10.7
238.10776	0.9
238.14407	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1849
Annotation	Sirenin
Peak:m/z	Relative Intensity
51.32527	0.8
55.01868	1.6
55.05503	1.9
57.03429	3.0
57.07067	2.1
58.06596	0.9
59.04993	1.5
61.02927	0.9
65.58925	0.8
67.05504	6.3
69.03423	3.1
69.07068	3.7
69.85690	1.8
69.86095	2.1
71.04992	13.1
79.05498	9.4
81.03403	2.1
81.07052	11.7
83.04965	1.7
83.08598	1.1
85.02909	2.7
85.06544	1.6
91.05476	10.7
91.39320	0.8
93.07043	18.1
94.06577	1.7
95.04962	3.2
95.08607	10.5
97.02897	1.2
97.06525	3.7
97.10169	1.1
99.08091	2.7
103.05466	4.5
105.07034	22.5
107.04961	1.6
107.07866	1.7
107.08595	34.7
108.08895	0.9
109.06515	4.0
109.10157	13.5
111.04487	1.0
111.08078	3.0
113.86277	0.8
117.07019	4.4
119.04971	1.7
119.08580	16.0
121.06502	3.4
121.10146	7.4
123.08093	3.9
123.11735	3.9
125.09628	4.8
127.11179	5.2
130.04143	1.8
131.04951	7.8
131.08557	3.7
133.06483	1.0
133.10124	25.2
135.08066	6.1
135.11702	3.8
137.05974	1.2
137.09625	1.6
139.11198	3.7
143.10660	2.5
143.52032	0.8
145.05090	0.9
145.06447	2.0
145.07570	1.0
145.10112	11.1
147.11696	5.2
148.05194	7.4
149.09653	2.0
149.13281	2.8
151.11182	100.0
152.11522	2.5
159.11673	8.0
161.06029	1.2
161.13264	2.9
163.07564	3.1
163.11223	3.1
163.14795	2.5
164.07057	2.8
165.12750	1.3
173.13290	3.0
175.14864	1.7
177.12720	3.1
179.14197	1.2
191.14299	2.6
191.17979	1.8
192.06552	1.8
201.16382	7.7
219.08043	1.3
219.13992	1.6
219.17435	20.4
237.09056	2.6
237.12302	2.8
237.14900	9.4
237.18521	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	237.2213
Annotation	Bombykal
Peak:m/z	Relative Intensity
53.03946	3.6
55.01859	3.5
55.05513	77.4
55.85224	1.5
57.03431	4.5
57.07076	32.7
65.03924	2.9
67.05507	79.5
69.03435	2.1
69.07069	100.0
69.77184	3.8
69.77576	3.6
71.04985	4.3
71.08642	13.5
77.43494	1.5
79.05492	45.9
81.03418	1.9
81.07059	99.9
83.04964	6.9
83.08619	81.7
83.09119	3.7
85.06531	6.0
85.10179	6.7
91.05462	7.1
93.06477	3.5
93.07042	56.7
95.04960	3.2
95.08608	65.5
96.05194	1.6
97.06537	27.8
97.10168	44.0
99.08084	5.4
105.07027	4.4
107.05032	1.9
107.08591	34.9
109.06541	2.9
109.10153	28.2
111.04462	3.6
111.08083	20.4
111.11736	7.8
113.09621	4.5
115.11209	2.7
117.06971	2.0
121.10144	83.8
122.10536	2.4
123.11699	27.1
125.09619	5.5
125.13291	2.1
127.11188	2.9
135.11694	57.0
137.13254	20.6
139.11151	3.8
141.12750	4.4
149.02400	8.8
149.03372	1.8
149.09659	2.2
149.13258	23.6
151.14825	2.7
153.05479	3.3
163.14799	9.7
177.16383	3.2
179.08578	2.3
184.60242	1.6
191.85210	1.7
193.04930	8.9
193.10052	1.8
195.11664	4.9
207.11659	3.2
209.09993	1.9
209.11626	10.3
219.13774	2.6
219.21066	53.0
220.21460	2.5
222.13992	5.4
237.07545	5.1
237.12643	3.7
237.16394	8.8
237.22121	90.0
238.22426	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.2213
Annotation	Bombykal
Peak:m/z	Relative Intensity
51.09349	1.9
53.03944	3.3
55.01859	4.4
55.05513	87.0
57.03428	4.1
57.07075	37.8
57.62995	2.2
58.75253	2.2
62.55178	2.0
66.00105	2.2
67.05507	83.7
69.07069	100.0
69.20747	2.2
71.04992	7.7
71.08638	12.6
71.28572	3.0
79.05493	57.9
81.03402	3.7
81.07059	94.4
83.04969	10.2
83.08624	88.8
85.06540	6.0
85.10187	5.2
89.86197	2.3
91.05473	8.6
93.07045	64.8
95.04967	5.3
95.08606	75.6
97.06531	38.0
97.10175	49.4
97.73782	2.2
99.08073	3.7
101.09666	3.3
105.06998	3.1
107.08596	39.6
108.93561	1.9
109.06496	6.0
109.10162	31.6
111.04448	9.4
111.08083	27.9
111.11731	10.7
113.09650	4.2
115.54163	2.5
117.07008	3.2
121.06495	2.4
121.10143	95.7
123.11712	21.7
125.05984	6.2
125.09623	8.3
127.11192	4.9
129.07040	2.2
131.08580	3.3
133.10147	2.4
135.10666	3.7
135.11697	73.1
137.13257	17.9
139.11154	6.6
141.12762	4.4
145.10188	2.3
149.12172	2.8
149.13257	27.4
151.14781	2.3
153.05461	4.5
153.09113	2.6
163.11238	2.6
163.14775	12.0
165.07045	4.0
167.08604	2.3
177.16429	4.4
179.08501	5.7
180.09312	2.5
181.04996	4.4
181.10120	3.9
191.10611	3.6
193.10124	3.3
195.10103	4.3
195.11671	6.6
207.11705	7.5
209.11713	19.9
219.21085	63.4
222.10448	3.2
222.13887	4.2
237.12717	7.3
237.14702	7.4
237.16434	12.5
237.18649	4.9
237.22127	87.5
238.22433	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.2213
Annotation	Bombykal
Peak:m/z	Relative Intensity
53.03939	3.2
55.01857	3.8
55.05512	74.2
57.03425	5.9
57.06803	1.7
57.07076	28.9
59.04995	1.2
65.03941	2.8
66.46690	1.4
67.05506	56.5
69.03430	2.0
69.07069	100.0
70.00387	2.6
70.00721	3.4
71.04991	9.1
71.08627	10.7
77.66930	1.2
79.05075	1.7
79.05498	29.2
81.03413	1.4
81.07055	78.8
83.04971	9.8
83.08621	76.7
83.09050	1.3
85.06557	10.3
85.10152	5.1
91.05480	6.5
93.07043	43.6
94.61699	1.1
95.04953	2.6
95.08607	63.7
97.06538	16.2
97.10172	35.8
99.08101	7.3
105.06992	3.1
107.08598	29.7
109.06499	2.5
109.10155	39.6
109.62124	1.4
111.04431	3.7
111.08066	14.1
111.11708	11.8
113.09660	4.4
113.19994	1.6
119.08568	3.3
121.10146	41.9
123.11703	21.9
125.09560	6.5
125.13314	2.9
127.11179	4.3
131.08562	1.9
133.10167	1.6
135.08075	1.5
135.11688	40.1
137.09688	1.3
137.13248	11.7
139.11147	5.5
149.13255	28.9
151.14793	3.1
153.12727	4.4
159.11761	1.6
163.14842	16.3
167.14325	2.6
173.80544	1.3
177.16397	6.9
179.17894	1.7
181.10149	1.4
181.15843	2.8
193.19569	2.0
195.11723	2.4
207.99438	1.3
209.11710	8.5
219.13806	4.5
219.17711	2.5
219.21077	58.6
220.21458	1.8
222.14023	1.5
237.12706	2.9
237.14529	10.9
237.22124	82.0
238.22423	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.6
53.36409	0.8
55.01879	5.4
55.05508	5.8
56.72228	0.9
57.03440	23.2
65.03943	2.3
67.05509	25.5
69.03445	6.8
69.07075	8.7
69.29677	3.0
69.30105	2.7
71.05009	5.1
75.28898	0.9
79.05499	16.8
81.03419	38.0
81.07059	14.6
83.04995	9.7
83.08624	1.1
84.04499	1.3
85.02909	2.1
85.06564	1.7
91.05487	100.0
92.05807	2.2
93.07047	24.4
93.07635	1.6
95.01364	1.1
95.04971	10.0
95.08611	14.5
97.02906	6.6
97.06522	5.0
99.04459	1.5
99.08089	1.1
103.03958	1.7
103.05476	2.1
105.04510	1.4
105.07036	22.4
107.04959	8.3
107.08574	4.5
109.06522	3.9
109.10155	9.8
111.08142	2.3
115.05481	1.4
117.07034	9.4
119.08587	69.0
119.41444	0.8
120.08939	1.2
121.06515	9.2
121.10161	3.1
123.08105	4.7
123.11701	1.3
125.09651	1.9
125.56078	0.9
128.06279	1.6
129.06992	8.1
131.08623	1.1
133.10139	3.6
135.08054	10.4
135.11710	2.2
137.05966	2.0
137.09625	18.8
145.06520	1.4
147.08051	31.4
147.09206	1.7
147.11716	1.8
149.09668	0.9
149.13358	1.5
151.11212	2.9
157.10190	1.1
161.09669	1.4
161.13278	1.1
163.11148	0.8
165.07057	2.2
165.09134	16.2
169.08640	3.9
175.11259	1.9
175.14879	1.4
180.21053	1.1
183.11703	1.9
193.10284	1.1
193.12263	2.2
211.07607	1.9
211.13188	0.9
221.11740	3.2
221.15424	2.9
239.06999	3.2
239.08862	2.6
239.10693	2.8
239.12750	18.1
239.16216	1.7
239.18224	1.7
239.20128	1.3
240.13185	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2006
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
51.58544	3.4
55.01867	3.4
55.05513	36.8
57.03442	8.7
57.07079	22.4
59.05000	34.7
67.05505	30.7
69.03442	5.8
69.07066	40.0
69.23936	17.9
69.24341	5.0
71.04996	10.2
71.08634	5.7
79.05489	21.7
81.03411	4.7
81.07055	91.9
83.04987	9.1
83.08617	23.7
85.06549	13.8
87.08057	4.2
90.12415	3.5
90.79894	3.6
91.05485	23.8
92.54993	3.2
93.07052	31.8
95.04954	4.3
95.08608	100.0
97.02961	3.4
97.06522	14.5
97.10144	21.9
99.08112	6.4
103.24339	3.3
103.62240	3.2
105.07040	17.5
107.08586	50.2
109.06524	9.5
109.10161	61.8
111.08104	11.1
111.11723	11.7
115.07603	4.3
117.06973	4.7
119.08555	34.0
121.10142	32.9
123.08074	6.1
123.11697	27.1
125.09627	14.4
133.10120	30.2
135.11684	39.9
137.09636	9.2
137.13249	72.9
139.11189	17.1
140.91043	3.5
141.06996	3.7
143.10672	5.8
143.17194	3.9
145.10097	4.3
147.08130	3.7
147.11685	28.5
149.13283	12.6
150.89290	3.1
151.11183	13.4
153.12781	6.2
155.08522	5.5
161.13271	15.8
162.66815	3.3
163.14832	28.7
165.07076	6.2
165.09062	4.3
165.12766	7.6
175.14778	7.4
177.16362	9.5
179.14285	4.7
183.07979	5.6
183.11690	5.1
193.19566	5.2
203.17969	49.8
211.07454	7.9
211.27045	4.4
221.15485	6.2
221.18988	44.4
235.43573	3.8
239.06985	11.7
239.08914	15.8
239.10796	5.4
239.16296	6.9
239.19986	27.3
243.01810	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	239.2006
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.03940	6.9
55.01871	3.2
55.05514	31.2
57.03435	3.7
57.07076	25.1
59.04996	29.8
67.05508	26.6
69.03433	4.7
69.07066	44.4
69.85658	13.6
71.04984	5.4
71.08630	3.0
73.06548	3.9
73.45396	2.9
79.05489	15.3
81.03422	8.7
81.07057	84.8
83.04974	9.2
83.08641	23.8
85.01134	4.3
85.06554	10.3
91.05477	11.5
93.07046	28.4
95.08604	96.1
97.06522	17.3
97.10155	19.5
99.08083	4.4
105.07053	14.0
107.08594	42.3
109.02888	7.9
109.06499	6.3
109.10163	49.8
111.08083	8.9
111.11729	11.9
113.00581	21.5
113.04230	3.9
119.08598	28.3
121.10159	44.0
123.08105	5.2
123.11707	35.6
125.09626	15.8
133.10117	26.9
135.11688	32.1
137.09584	9.3
137.13255	100.0
139.11197	20.1
143.10698	11.5
147.11685	31.5
149.13280	14.1
151.11180	12.8
153.12715	3.2
155.08630	3.1
161.13255	13.8
163.14827	37.3
165.07030	8.6
165.12749	7.8
175.14848	7.6
176.90562	2.8
177.16449	11.4
183.04761	18.5
183.11676	5.3
188.21852	3.6
193.19484	5.5
203.17966	53.8
211.07509	4.4
221.06073	3.1
221.15556	4.3
221.19003	59.4
228.03883	3.5
230.52605	3.0
239.06998	12.0
239.10751	5.5
239.14410	5.6
239.20073	32.6
250.92982	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	239.2006
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.03945	7.4
55.01886	4.8
55.05513	27.1
57.03425	6.5
57.07084	21.0
59.05004	30.2
65.03945	3.3
67.05508	27.0
69.07066	42.1
69.25163	3.1
69.38712	11.2
69.39146	9.6
71.04986	7.1
71.08636	5.0
73.06556	5.1
75.77060	2.8
79.05493	14.8
81.03444	4.6
81.07063	81.8
83.08624	23.9
85.02896	5.7
85.06559	10.2
91.05498	13.3
93.07027	26.6
95.08611	100.0
97.06512	17.2
97.10161	21.8
99.08120	6.2
105.07021	17.0
107.08607	43.4
109.02885	8.3
109.06512	7.4
109.10158	51.0
111.08089	13.8
111.11726	8.6
113.00603	17.7
114.70202	3.7
115.07530	4.0
119.08593	23.6
121.10151	43.9
123.08083	5.8
123.11732	35.8
125.09653	12.1
127.11224	3.5
133.10135	32.2
135.11690	35.1
137.09615	7.7
137.13257	96.5
138.13564	3.6
139.11176	27.5
143.10672	9.1
147.11708	28.5
149.13237	16.7
151.11179	11.6
151.12360	2.8
153.06993	4.8
153.12750	6.5
155.08553	4.4
157.12277	3.4
161.13266	15.8
163.14839	36.9
165.06938	3.7
165.12784	7.6
175.14842	6.9
177.16403	11.4
181.09926	3.5
183.04738	15.9
183.13963	3.4
189.13161	3.1
193.12090	3.2
193.19429	6.2
194.11777	4.1
197.13293	4.5
202.86874	3.2
203.17949	62.5
211.07623	4.9
221.18979	61.2
239.07004	11.8
239.08966	5.0
239.10956	4.7
239.14290	6.0
239.17938	5.7
239.20044	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	239.2006
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.01870	9.0
55.05514	38.6
57.03430	5.7
57.07071	18.8
59.04995	20.6
60.97303	2.8
62.96892	2.6
67.05181	4.2
67.05508	48.4
69.03421	6.0
69.07070	59.0
69.26478	19.0
71.04999	13.7
71.08629	3.2
73.02908	8.6
79.05505	21.8
81.03417	14.8
81.07059	100.0
81.07529	5.5
83.04979	14.3
83.08614	30.7
84.04502	5.7
85.02919	15.6
85.06532	10.5
91.05475	23.7
93.07045	33.3
95.04971	7.7
95.08609	81.5
96.08139	3.8
97.06529	16.5
97.10172	18.0
99.04434	6.3
99.08099	7.4
101.02395	27.4
105.07034	23.4
107.08598	51.1
109.06530	7.6
109.10164	83.7
109.10902	4.3
111.08076	10.0
111.11723	15.7
113.09663	4.3
117.07027	2.7
119.08585	33.1
120.44332	2.5
121.06495	5.6
121.10155	29.3
123.08033	10.1
123.11707	31.1
124.07579	9.7
125.05923	2.8
125.09616	22.9
127.07593	4.8
127.11150	4.2
130.04953	3.9
133.10118	27.4
133.97502	3.0
135.08055	2.9
135.11700	40.2
137.09616	17.1
137.13251	57.9
139.07547	6.6
139.11182	14.2
143.08554	3.1
143.10684	4.1
145.10097	5.5
147.07999	6.0
147.11674	23.2
149.13258	18.9
151.11183	9.4
151.14902	4.1
152.06119	2.8
153.09085	3.4
153.12735	7.4
155.08568	7.0
155.10669	4.0
157.12230	2.7
159.11758	3.2
161.09665	3.2
161.13252	19.4
163.14803	19.1
165.06990	9.4
165.09074	8.1
165.12791	6.7
169.10051	3.7
175.14804	6.6
177.16441	6.2
181.06482	3.3
183.08096	5.3
183.11691	5.2
193.15938	3.4
197.11655	4.3
197.13293	6.6
203.14091	3.2
203.17952	47.9
211.07565	7.7
221.15376	9.5
221.18991	45.7
222.14938	6.0
227.36928	2.7
239.06607	14.5
239.08846	16.2
239.10701	10.1
239.14336	7.0
239.16154	4.5
239.18033	6.0
239.20018	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	239.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
55.05511	26.3
57.07077	100.0
58.07417	1.2
58.09748	0.8
62.24742	0.7
64.20899	0.8
65.03931	2.2
67.05506	58.3
68.05846	0.7
69.07070	28.7
71.08633	57.8
71.28407	1.1
79.05489	5.8
81.07057	55.4
83.08622	29.8
85.06562	4.5
85.10186	28.6
89.06014	2.3
91.05459	1.5
93.07031	4.6
95.08608	71.4
96.08954	1.1
96.80920	0.8
97.10177	12.0
99.04445	4.4
99.08070	1.4
105.55358	0.8
109.10156	29.2
111.11716	1.7
119.08602	1.5
123.11710	8.8
133.10106	0.9
137.13245	3.0
151.14845	0.9
155.08588	2.0
165.16278	1.0
169.10147	1.5
183.11691	1.8
197.13263	1.9
239.08862	10.8
239.14171	2.0
239.18045	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	239.2369
Annotation	Bombykol
Peak:m/z	Relative Intensity
53.03944	1.8
55.05511	27.9
57.07076	100.0
65.03941	2.4
67.05504	55.0
69.07069	23.8
69.34757	4.5
71.05005	0.8
71.08632	59.4
72.85842	0.6
75.39414	0.6
79.05487	5.4
81.07055	50.8
82.07383	0.8
83.08617	27.3
85.06548	3.7
85.10181	26.4
90.64893	0.6
91.05473	0.6
93.07056	3.0
95.08605	72.0
96.08949	1.1
97.10168	12.1
97.10750	0.9
99.04465	1.1
99.08120	2.0
109.10152	27.5
110.79935	0.6
111.11729	1.1
123.11723	5.7
129.07019	1.1
137.13283	2.2
143.08653	0.9
151.15010	0.6
157.10153	0.6
159.50633	0.6
169.10097	0.9
171.11736	0.8
183.11824	1.3
197.13322	1.5
239.08945	1.9
239.17909	5.2
239.23851	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	240.0868
Annotation	Phomonitroester
Peak:m/z	Relative Intensity
57.03442	1.7
67.05478	2.0
67.98696	1.4
68.05048	1.6
69.03435	20.8
69.07071	1.7
70.02924	1.8
70.06597	4.9
71.29183	1.2
72.77485	1.4
75.58337	1.2
78.97457	1.4
79.05504	3.0
80.05006	4.1
81.03416	3.7
81.07061	1.9
82.03740	1.5
82.06562	1.7
84.04507	7.0
85.02892	5.1
87.04472	45.6
89.03888	1.3
91.05466	2.4
94.02917	2.5
95.04980	2.9
96.04503	1.4
98.06071	1.8
98.41657	1.6
98.97547	2.6
100.53111	1.5
103.10459	1.5
106.06521	3.4
106.07265	1.2
108.04475	5.8
108.89158	1.4
110.06039	5.7
111.03159	4.3
111.05630	2.0
112.03958	4.8
116.98616	2.6
120.08100	2.6
121.06490	2.2
126.05504	19.6
130.04955	2.3
134.05997	4.7
135.06769	2.6
138.05508	2.5
148.07545	12.7
152.07030	7.9
154.04996	38.9
162.05531	5.3
166.08609	6.4
176.07053	4.0
190.05051	1.8
194.08136	17.6
196.09586	1.4
210.11282	1.4
212.09187	3.8
222.07616	25.9
222.11113	2.8
223.07152	1.7
240.08676	100.0
240.12485	3.1
240.15950	2.0
241.04944	1.9
241.08989	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	240.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04360	0.1
53.00294	0.2
53.03922	0.2
53.79780	0.2
55.05512	1.4
56.33831	0.2
57.07074	15.3
58.06358	0.2
58.06601	3.1
59.73708	0.2
60.33865	0.2
61.31277	0.2
67.05505	2.7
69.07056	0.9
69.93868	0.7
70.04146	0.2
71.08628	8.8
72.47320	0.2
75.84999	0.2
80.10335	0.2
80.46850	0.2
81.07055	3.2
83.08615	2.5
85.10182	5.5
91.05475	0.3
93.07046	0.3
95.08605	7.3
97.10176	1.2
99.08083	0.2
99.11712	0.4
106.06527	0.2
109.10150	5.4
109.10902	0.3
116.98617	0.2
121.10160	0.2
123.11732	0.9
134.99597	0.2
155.40262	0.2
158.15384	0.3
165.16313	0.3
183.17448	5.2
211.19916	0.2
240.08913	0.6
240.23209	100.0
241.09073	0.2
241.12196	0.3
241.19711	0.3
241.23553	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	240.987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80978	0.2
53.44052	0.2
54.75370	0.2
54.98640	0.3
56.96569	10.7
69.52762	0.8
69.53166	0.3
71.95271	3.4
73.03567	0.2
77.38186	0.2
93.56229	0.2
94.11019	0.1
98.97588	100.0
99.97926	0.5
116.98626	43.0
118.14248	0.2
134.99666	11.4
140.00221	0.8
142.19339	0.2
146.54204	0.2
153.00722	0.9
158.01268	0.4
177.00964	0.2
205.16484	0.2
211.95235	0.2
216.98814	0.3
217.52155	0.2
219.02094	0.4
219.99265	0.2
234.99786	0.7
240.98645	1.7
258.99774	21.1
260.00052	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.086
Annotation	Typhaphthalide
Peak:m/z	Relative Intensity
53.03763	1.1
53.03952	13.0
55.01871	9.2
55.05511	14.9
57.03431	3.1
65.03929	5.8
67.05505	43.4
69.03417	5.5
69.85690	5.8
73.12739	1.2
77.03924	5.4
79.05492	46.1
80.06261	2.8
81.03419	12.4
81.07062	6.7
83.04981	34.7
84.04501	7.0
85.02901	2.3
89.03913	23.8
91.05466	4.3
93.07017	2.8
94.02918	5.0
95.04970	32.2
95.08614	3.3
96.05722	6.1
97.02894	2.5
103.05460	5.4
105.03382	3.7
105.04507	5.7
105.07003	1.9
107.04942	4.1
111.04385	1.6
112.03998	2.7
115.05460	14.4
117.03364	18.3
119.04895	1.9
121.10128	3.7
128.06236	14.0
129.03371	1.5
129.07008	13.4
131.04953	9.1
133.02873	8.2
134.03641	15.1
135.04414	24.1
141.06996	9.1
142.07791	12.7
143.04913	9.2
143.08504	2.1
144.05687	3.8
145.02856	20.3
145.06485	2.3
146.03636	3.7
147.04416	5.6
152.06218	13.5
153.06943	4.9
154.07747	1.9
155.04907	4.8
156.05702	13.7
157.02850	3.5
157.03973	2.5
157.06502	11.0
157.10104	4.1
159.04399	8.7
161.02313	3.7
162.03102	3.2
162.89798	1.4
163.03905	48.2
165.07021	7.8
166.07796	2.4
167.07310	1.4
167.08560	16.4
169.06491	8.2
170.07256	7.4
171.04401	6.4
171.08090	4.0
173.02318	7.3
176.06192	1.7
179.08496	1.7
181.06427	4.0
181.07828	1.9
183.04384	3.8
184.05196	20.7
185.02330	3.2
185.06010	9.3
185.09615	13.6
186.03117	1.7
187.03882	4.8
195.08051	17.9
196.05978	2.3
196.07590	1.9
197.05984	8.2
198.06783	7.6
199.03893	18.0
199.07539	13.5
209.11726	5.5
212.04694	10.1
212.08289	2.0
213.05466	3.7
213.09106	21.7
223.07253	6.9
223.13400	1.9
226.06183	4.7
241.08582	100.0
241.12294	6.0
242.08733	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	241.0859
Annotation	Typhaphthalide
Peak:m/z	Relative Intensity
51.02370	2.8
51.07399	1.3
53.03945	13.0
55.01872	10.9
55.05509	14.9
57.03422	3.9
63.02398	1.4
65.03938	9.1
67.05505	42.8
68.06257	1.1
69.03421	2.7
69.07037	1.8
69.42613	2.8
69.43030	3.7
77.03915	6.7
79.05492	41.4
80.06270	3.0
81.03418	11.8
81.07047	5.8
83.04980	35.6
87.04421	1.3
89.03913	22.6
91.05466	4.0
93.07045	2.6
95.04970	32.9
95.08598	1.7
96.05756	7.2
98.23326	2.4
101.24055	1.4
102.04691	2.1
103.05451	4.7
105.03374	3.5
105.04508	5.9
106.04174	2.4
106.49417	1.2
106.59428	1.3
107.04971	2.8
111.04442	3.1
112.13670	1.1
115.05456	17.7
116.67627	1.4
117.03381	21.4
117.07018	1.5
118.04137	2.1
119.04888	2.8
121.10140	2.9
127.05321	1.5
128.06224	16.1
128.64775	1.2
129.07007	15.2
130.04108	1.6
130.55756	1.2
131.04924	9.9
133.02843	6.2
134.03654	11.1
135.04413	21.3
139.05415	1.6
141.06978	12.6
142.07782	14.0
143.04921	9.5
143.08521	2.6
144.05693	2.4
145.02841	18.0
145.06464	3.0
146.03590	2.3
146.68773	1.3
147.04401	5.6
152.06190	14.2
153.06947	4.6
154.07750	3.3
155.04897	6.6
155.06044	2.6
155.08492	2.3
156.05702	17.5
157.02812	3.8
157.03989	3.4
157.06468	11.4
157.10136	3.9
159.04419	11.8
161.02380	2.8
162.03116	3.3
163.02533	2.2
163.03899	42.3
163.11055	1.5
164.04251	1.6
165.06985	7.0
166.07756	2.3
167.08543	17.0
168.05698	2.3
169.06500	9.4
170.07266	9.5
171.04387	7.2
171.08081	2.9
173.02380	3.6
175.03935	2.3
177.06911	1.5
181.06442	5.2
183.04387	4.2
183.07971	2.7
184.05188	23.5
185.02385	4.9
185.05997	9.9
185.09587	12.4
187.03896	5.7
195.08029	21.7
197.05989	7.9
198.06784	7.4
199.03902	22.3
199.07541	15.7
212.04652	10.2
212.08272	2.3
213.05499	2.1
213.09106	23.0
213.40581	1.4
217.04901	1.5
223.07463	5.6
226.06216	5.4
237.79057	1.1
241.08582	100.0
241.12109	7.0
242.08813	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	241.0861
Annotation	Chrysarobin
Peak:m/z	Relative Intensity
53.03917	2.8
55.01855	1.8
55.05513	6.1
57.03440	4.0
57.07033	1.1
63.96809	0.8
65.03908	1.3
67.05505	8.9
67.20639	0.9
69.03430	21.8
69.07060	4.8
69.25750	5.6
71.04952	2.3
79.05490	11.1
80.04991	1.1
81.03374	2.7
81.07062	7.5
83.04921	2.4
83.08578	1.4
84.04500	5.4
85.02855	2.6
85.06498	2.6
89.03889	2.9
91.05493	11.2
93.07033	8.0
94.02874	3.4
94.06519	0.9
95.01299	0.9
95.04950	3.9
95.08610	5.7
97.02831	0.8
97.06473	3.3
98.22597	1.6
98.97536	1.1
99.04434	1.3
99.51307	0.8
101.54867	0.7
103.05432	1.0
105.06969	2.5
107.04898	2.4
107.08595	4.0
109.06522	4.7
109.10091	2.7
111.04444	7.7
111.08026	2.2
112.03910	2.5
113.05992	1.3
113.09607	1.6
115.03899	1.3
115.05428	4.3
117.06962	2.3
119.08505	3.2
121.06425	2.2
121.10128	5.3
122.05994	1.4
123.07993	1.6
125.05905	3.2
125.09572	1.1
128.06241	6.5
129.06995	7.3
130.04982	1.1
131.04875	1.7
131.08485	3.9
133.09998	1.2
134.05919	1.6
135.11592	2.3
139.11086	0.9
141.07010	6.6
142.07813	4.1
143.04823	3.0
143.08455	3.8
144.05597	3.8
145.02695	1.2
145.06447	1.8
145.10031	3.8
147.04294	0.9
149.09511	1.7
150.05496	1.8
152.06209	18.9
153.06992	6.2
154.06483	1.6
154.07658	1.1
155.04807	2.0
155.05942	1.3
155.08469	3.7
156.05605	2.8
156.09299	1.0
157.06494	7.1
157.10104	3.9
159.04356	1.5
159.08008	1.1
163.03802	1.9
163.11095	2.3
165.05717	0.9
165.07002	11.7
166.07793	4.4
167.07199	15.6
167.08479	22.1
168.08075	31.7
168.09314	1.4
169.06444	4.0
169.10016	1.7
170.07195	2.9
171.04411	17.8
171.08022	3.9
173.02278	1.6
173.05902	1.7
173.09541	1.3
175.03839	1.4
176.06183	1.5
177.06976	4.6
178.04800	1.7
179.08502	4.2
180.05565	2.2
181.06181	10.0
181.07555	9.0
181.10025	5.0
183.04414	7.5
183.08022	1.5
183.11690	5.1
184.05203	27.5
185.05907	5.9
185.09613	7.2
187.03902	5.7
193.10031	1.8
194.07088	1.0
194.10753	1.7
195.07857	27.8
195.11617	1.9
196.07568	58.8
197.05954	8.8
198.06763	9.3
199.03903	10.8
199.07520	8.6
200.04706	7.8
202.02542	1.2
205.06311	1.6
208.12408	2.0
211.03809	2.0
211.07420	1.0
212.04692	37.0
212.08052	2.6
213.05496	6.6
213.09071	20.0
214.08441	1.2
223.08453	21.0
223.13086	8.5
223.14818	1.5
223.16783	2.3
224.08514	1.4
226.06247	19.0
241.08450	100.0
241.12244	4.1
241.13878	3.8
241.15742	6.0
242.08107	37.8
242.15399	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0972
Annotation	beta-Carboline-1-propionic acid
Peak:m/z	Relative Intensity
55.01846	0.4
55.05493	0.6
57.95663	0.5
65.03912	0.3
67.05487	0.8
69.03403	1.3
69.07061	0.4
69.22879	0.7
69.23302	1.2
70.78141	0.3
71.90488	0.3
75.99172	0.3
79.05475	0.6
80.04977	0.3
81.03385	0.3
81.07021	0.9
83.04971	0.3
83.08606	0.5
84.04504	1.7
85.02897	0.5
87.52462	0.3
88.41284	0.3
89.03493	0.3
89.03926	3.5
91.05466	0.7
93.07030	1.0
94.02907	0.6
95.01322	0.4
95.04960	0.5
95.08572	0.6
97.02864	0.8
97.06509	0.4
99.04434	0.5
105.07028	0.5
107.08562	1.2
109.06485	0.3
111.08057	0.4
112.03950	0.4
115.05449	0.4
117.03395	2.2
117.07004	0.3
121.06577	0.3
121.10132	0.7
122.06001	0.3
125.09691	0.4
128.06183	0.6
129.06993	0.7
130.05000	0.6
131.08534	0.4
133.10176	0.4
135.04376	1.0
137.09573	0.4
141.06978	0.4
145.02829	1.3
145.06499	0.3
145.10147	0.4
152.06143	0.5
154.06512	2.5
157.06468	1.1
163.03857	1.4
165.07010	0.5
167.06113	0.5
167.08617	0.3
168.08026	0.4
181.07602	29.8
181.12140	0.7
182.08336	2.7
185.07184	3.4
194.08310	0.3
195.09178	39.8
196.06065	0.6
196.09523	0.8
197.05917	0.4
205.12277	0.4
213.05496	1.3
213.09087	0.4
223.08661	100.0
224.08978	3.0
226.06178	0.3
241.09724	96.6
242.10097	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	241.1434
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
50.01583	0.9
53.03933	2.9
55.01859	1.9
55.05508	12.0
57.03436	49.9
57.07071	1.0
57.31003	1.0
65.03931	2.0
67.05505	19.0
69.03418	2.3
69.07073	5.5
69.58679	0.9
71.01342	4.8
71.04980	3.6
79.05492	38.0
81.03428	5.7
81.07059	15.6
83.04974	9.5
83.08620	15.6
84.04481	3.0
85.02927	2.2
85.20235	1.1
89.03907	1.4
91.05466	11.4
93.07041	44.7
93.07632	2.1
94.02911	1.7
95.04955	5.9
95.08607	13.3
97.02850	1.2
97.06508	3.1
97.10172	1.5
98.97591	1.9
99.04485	1.0
99.08019	0.8
100.11246	3.7
103.05471	1.4
103.70147	0.8
105.04562	1.2
105.07051	7.0
105.80443	1.0
107.04965	5.0
107.08604	8.4
109.06527	1.1
109.10206	1.3
111.04440	4.2
112.03963	1.3
113.06006	1.0
115.05441	2.3
116.98626	1.5
117.06969	2.1
117.35054	0.8
119.08520	2.1
121.06576	1.2
121.10140	44.8
122.06026	1.1
123.08032	2.2
125.05965	1.2
128.06221	3.8
129.07001	7.0
131.04967	1.0
131.08562	10.0
133.02901	1.7
134.03654	1.2
134.06056	1.2
134.99622	1.0
135.04335	1.1
135.11671	2.2
139.11179	13.2
141.06984	3.4
142.07736	1.5
142.15913	7.7
143.08565	2.3
145.10130	1.8
149.09589	7.1
152.06213	3.7
153.06979	2.8
154.07784	2.6
156.05696	2.9
157.06487	2.2
157.10112	2.5
159.08031	1.1
163.03883	1.4
163.11182	2.7
165.06985	1.5
167.08534	9.1
167.10640	7.4
168.05722	1.6
169.06512	2.4
170.07222	1.8
171.08026	1.8
171.11635	1.3
173.09576	1.9
179.08537	1.0
181.06345	1.7
183.09235	1.0
184.05219	9.0
185.05952	3.2
185.09566	6.6
185.13420	1.0
186.22165	2.0
187.07581	1.4
191.10632	1.9
195.08000	10.0
196.05995	1.9
196.07635	1.9
197.06029	3.0
198.06802	1.9
199.03979	4.9
199.07538	27.8
200.07907	2.0
209.11694	10.5
212.04674	6.9
212.08244	2.4
213.05534	4.6
213.09142	7.9
215.33948	0.9
223.07581	4.6
223.13185	1.9
226.06186	8.3
241.08577	100.0
241.12172	17.2
241.14348	12.9
241.19533	2.7
242.08809	3.9
242.28407	14.7
258.99445	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.1
54.62558	2.2
55.01865	7.1
55.05514	18.8
56.96548	2.1
57.03429	9.5
57.07064	2.7
62.00492	2.7
67.05501	26.5
69.07065	9.0
71.04973	5.7
71.30167	2.0
71.30704	2.5
72.78946	2.0
79.05489	32.1
81.03410	5.4
81.07053	26.3
83.04964	7.5
83.06539	2.1
83.08598	8.0
84.04494	3.1
85.54252	2.0
91.05459	11.5
91.87179	2.2
91.95944	2.3
93.06470	3.7
93.07037	43.0
95.04969	8.1
95.08601	51.2
97.02879	5.5
97.06522	6.1
98.22725	2.2
98.97585	6.1
99.04448	8.3
105.07018	9.3
107.04929	12.3
107.08602	25.1
109.06461	2.4
109.10122	2.9
111.04446	6.9
113.06007	2.4
116.98643	2.5
117.07011	11.2
119.08575	14.0
121.06487	4.8
121.10135	19.3
125.05963	3.5
128.06213	5.4
129.06970	5.1
130.07730	2.5
131.08618	2.6
133.10150	3.0
134.99623	3.5
135.11693	45.9
137.36066	2.2
139.11111	2.6
142.07768	3.1
143.08623	3.3
145.10110	25.5
155.08551	2.8
157.10097	3.8
163.03920	2.8
163.11179	62.8
166.75909	2.3
167.08549	4.3
181.12241	13.8
183.51105	2.0
184.05113	4.9
185.09500	2.8
190.78612	2.2
195.08002	6.7
197.05765	2.5
199.03955	3.2
199.07526	6.1
209.11684	3.1
212.04689	3.0
213.09015	3.6
223.08780	5.9
223.10867	3.0
223.13281	3.3
227.12775	100.0
241.08450	35.6
241.12228	6.7
241.14146	2.8
241.17891	3.4
241.19792	2.6
241.40541	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01615	1.0
51.34604	1.1
52.47817	1.0
53.03948	9.8
55.01870	11.4
55.05511	18.2
56.05016	1.1
57.03441	7.8
59.04990	1.3
64.63380	1.1
65.03923	2.8
67.05506	37.0
69.03429	8.5
69.07069	9.4
69.23916	2.8
69.24338	4.7
71.01328	3.3
71.05000	12.5
71.98163	1.0
73.06541	1.2
77.03911	2.7
79.05492	77.8
80.05824	1.9
80.06260	5.0
80.32228	1.2
81.02976	1.7
81.03413	16.8
81.06602	1.9
81.07058	34.8
83.04987	9.5
83.08591	4.9
84.04508	6.7
85.02885	3.8
85.06550	8.2
87.04422	1.3
87.53324	1.0
89.03903	5.4
91.05482	25.0
93.03413	1.1
93.06485	1.5
93.07043	27.8
94.02917	3.2
95.01325	2.2
95.04966	21.6
95.08602	12.9
97.02879	5.0
97.05923	1.2
97.06525	17.3
97.10141	1.5
98.23386	2.3
99.04434	3.9
99.08008	1.2
100.87383	1.1
103.05460	2.6
105.03376	3.1
105.04487	4.1
105.06380	1.4
105.07020	9.4
107.04956	15.3
107.08603	14.1
109.02829	1.2
109.05878	1.4
109.06524	15.9
109.10100	2.4
111.04440	50.0
111.08088	5.0
112.03937	2.3
113.05997	5.1
115.05453	6.4
117.03364	2.3
117.07011	11.4
119.04900	1.9
119.08575	8.9
121.06503	15.7
121.10152	16.8
123.04449	1.4
123.08080	6.4
123.11674	1.0
125.05994	14.9
125.09574	1.9
127.05375	1.1
128.06229	7.1
129.06998	12.0
130.07777	2.1
131.04884	4.2
131.08565	13.5
133.02869	13.2
133.10043	1.2
134.03648	1.3
134.99643	1.1
135.04375	3.2
135.08035	2.2
135.11690	13.9
137.09621	2.1
139.07500	3.1
141.06958	5.5
141.26610	1.1
142.07773	5.7
143.04968	2.4
143.08519	3.2
144.05606	2.9
145.02875	5.2
145.06508	5.4
145.10138	20.4
146.10414	1.1
147.04395	2.4
147.08014	2.0
149.09584	4.2
150.05446	1.4
150.87378	1.0
151.03862	1.7
152.06206	13.5
153.06985	5.0
153.09042	1.1
153.12700	3.5
155.04933	2.6
155.08546	5.9
155.09612	1.3
156.05646	4.6
157.06477	9.2
157.10130	4.4
159.04410	6.0
159.08034	2.3
159.11581	1.3
161.02287	4.8
161.09537	1.5
162.03114	1.3
163.03908	16.9
163.11168	20.0
165.07004	5.6
166.07782	3.1
167.07243	1.7
167.08563	17.6
169.06456	4.8
169.10078	1.2
170.07176	4.0
171.04372	5.1
171.08061	3.3
173.02347	8.4
173.09631	17.2
175.03822	1.5
176.06187	2.0
177.06964	5.6
177.12761	2.3
180.05656	1.8
181.06419	8.0
181.07805	1.4
181.12199	3.4
183.04362	2.5
183.08008	1.8
184.05186	11.4
184.08797	1.6
185.06004	12.6
185.09587	10.9
185.13245	1.5
186.06110	1.1
186.32460	1.0
187.03871	6.1
191.10680	9.3
195.07999	27.1
195.13748	3.0
196.05954	2.7
196.07570	1.3
197.05968	9.6
198.06738	7.8
199.03925	15.0
199.07536	11.9
200.04628	2.7
205.06421	3.9
205.12282	2.7
209.11726	10.4
212.04726	8.2
212.08266	3.7
213.05550	5.4
213.09061	17.0
217.04808	1.5
223.07216	11.0
223.10979	2.4
223.13284	49.3
223.49278	1.2
224.13432	1.3
226.06158	6.2
227.12700	3.4
241.08551	100.0
241.12239	8.7
241.14279	32.3
242.08774	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	241.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04402	0.2
53.03951	0.6
55.01875	0.5
55.05510	0.6
56.05041	0.3
56.96552	0.4
57.03430	0.9
58.02157	0.2
58.06603	18.5
61.02915	0.6
67.05502	0.8
69.03439	3.4
70.03735	0.2
70.06597	3.2
70.45514	0.2
71.04999	0.6
71.28192	0.2
72.08154	0.7
73.02914	0.5
74.11943	0.2
77.25764	0.2
79.05512	0.6
80.04572	0.4
80.05023	7.3
80.85281	0.2
81.03425	3.2
83.01365	0.3
83.04983	1.0
84.04512	2.3
84.08148	10.7
85.02906	3.5
85.06541	0.6
88.98125	0.2
91.05502	0.5
93.07014	0.3
94.02940	1.2
95.01311	0.3
95.04979	0.7
97.02898	7.4
98.03226	0.3
98.06046	0.4
98.09686	1.9
98.97587	0.7
99.04455	0.8
100.11263	0.3
101.00876	0.5
103.05486	0.3
104.33208	0.2
107.04932	0.4
109.02886	0.4
110.03956	0.2
111.04430	0.8
112.03948	0.5
113.00928	0.3
114.05540	0.7
115.02515	0.2
115.03923	0.5
116.07104	0.6
116.10766	0.3
116.98608	0.5
119.01941	1.1
119.04974	0.2
120.96558	0.3
121.01685	0.2
121.06479	0.4
122.06049	0.4
123.04474	0.3
124.07598	0.2
126.05476	0.5
126.09139	0.5
127.03949	1.4
128.10728	4.0
130.05011	0.5
131.01903	0.9
133.03482	0.4
134.05969	0.2
135.04416	0.2
143.01936	0.7
144.10197	1.2
145.03482	0.8
145.04950	0.3
149.05919	0.3
149.07060	0.3
150.05461	0.3
150.09061	0.3
151.04073	0.5
152.05022	2.0
152.07040	0.3
152.10675	0.3
153.03955	0.3
155.01921	0.5
156.97443	0.3
157.03473	0.5
158.08066	0.2
159.05060	0.5
159.54041	0.6
160.03792	0.5
161.02943	0.8
161.05565	0.3
168.10237	1.1
169.04480	0.8
171.05101	0.3
173.02988	1.0
174.98637	0.3
175.02725	0.5
175.04401	0.3
177.05365	0.3
183.05078	0.3
185.03111	0.3
187.04599	0.2
196.06082	0.7
196.09700	5.9
198.98534	0.8
203.03992	0.5
213.15993	0.7
221.05101	1.7
223.07208	0.3
224.09103	0.3
241.15472	100.0
242.10063	1.3
242.15819	3.0
248.75397	0.2
259.06628	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
55.01871	0.5
55.05501	0.7
56.05025	0.4
56.96560	0.9
57.03438	1.0
57.07072	0.2
58.06600	19.5
58.99838	0.1
59.06917	0.2
61.02917	0.5
65.03941	0.3
67.05492	0.6
69.03430	5.0
70.06593	3.0
70.17680	0.4
71.01348	0.3
71.04987	0.6
72.08144	0.5
73.02916	0.5
79.05486	0.5
80.02930	0.1
80.05022	6.1
81.03418	4.5
81.03903	0.1
82.06578	0.2
83.01331	0.5
83.04980	1.5
84.04509	4.1
84.08144	10.7
85.02428	0.3
85.02905	3.5
85.06538	0.6
85.08492	0.2
86.06080	0.2
87.04478	0.2
91.05466	0.4
93.06986	0.2
94.02936	1.6
94.06544	0.3
95.01354	0.4
95.04977	1.0
95.06049	0.2
97.02892	7.5
97.03519	0.4
98.06048	0.6
98.09698	1.7
98.97585	1.0
99.04449	0.9
100.11254	0.5
101.00846	0.8
103.05452	0.3
106.06530	0.2
107.03422	0.2
107.04942	0.3
109.02889	0.8
110.06036	0.3
111.04433	0.8
111.05565	0.5
112.03952	0.9
113.00912	0.2
113.02386	0.3
114.05515	0.6
115.02380	0.3
115.03188	0.2
115.03938	0.6
116.07120	0.4
116.10712	0.2
116.98608	0.5
119.01916	1.0
121.06493	0.4
122.06023	0.4
123.04419	0.4
125.02369	0.2
126.05511	0.5
126.09141	0.3
127.02420	0.3
127.03944	1.3
128.10721	3.8
129.03976	0.2
130.05061	0.9
131.01883	0.6
131.04961	0.2
132.03435	0.2
133.03482	0.4
134.03740	0.2
134.05988	0.4
135.04427	0.4
139.03915	0.3
141.03925	0.2
143.01892	0.5
144.10188	1.5
145.01694	0.2
145.03432	1.0
145.04990	0.3
147.04974	0.2
149.05963	0.4
149.07097	0.4
150.05499	0.6
150.09062	0.2
150.53503	0.3
151.04198	0.6
151.99097	0.2
152.03827	0.3
152.04980	2.0
155.01854	0.4
156.02551	0.2
157.03496	0.4
158.08067	0.3
159.05040	0.6
160.03752	1.0
161.02934	0.6
161.05559	0.6
163.04965	0.2
168.06534	0.2
168.10222	1.1
169.04431	1.3
171.05029	0.4
173.02953	0.8
175.02733	0.5
177.06592	0.2
178.04990	0.4
183.04927	0.2
187.04688	0.2
193.04982	0.2
195.07796	0.3
196.06087	1.1
196.09691	5.9
198.98460	0.3
199.04524	0.2
200.22086	0.2
201.06018	0.2
203.04016	0.3
213.15976	0.5
217.03746	0.2
221.05070	1.9
222.05544	0.2
223.07355	0.7
241.15460	100.0
242.09995	0.2
242.15804	2.5
249.26724	0.2
258.99588	0.2
259.06659	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1546
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
53.03952	0.7
55.01871	0.5
55.05501	0.7
56.05025	0.4
56.96560	0.9
57.03438	1.0
57.07072	0.2
58.06600	19.5
58.99838	0.1
59.06917	0.2
61.02917	0.5
65.03941	0.3
67.05492	0.6
69.03430	5.0
70.06593	3.0
70.17680	0.4
71.01348	0.3
71.04987	0.6
72.08144	0.5
73.02916	0.5
79.05486	0.5
80.02930	0.1
80.05022	6.1
81.03418	4.5
81.03903	0.1
82.06578	0.2
83.01331	0.5
83.04980	1.5
84.04509	4.1
84.08144	10.7
85.02428	0.3
85.02905	3.5
85.06538	0.6
85.08492	0.2
86.06080	0.2
87.04478	0.2
91.05466	0.4
93.06986	0.2
94.02936	1.6
94.06544	0.3
95.01354	0.4
95.04977	1.0
95.06049	0.2
97.02892	7.5
97.03519	0.4
98.06048	0.6
98.09698	1.7
98.97585	1.0
99.04449	0.9
100.11254	0.5
101.00846	0.8
103.05452	0.3
106.06530	0.2
107.03422	0.2
107.04942	0.3
109.02889	0.8
110.06036	0.3
111.04433	0.8
111.05565	0.5
112.03952	0.9
113.00912	0.2
113.02386	0.3
114.05515	0.6
115.02380	0.3
115.03188	0.2
115.03938	0.6
116.07120	0.4
116.10712	0.2
116.98608	0.5
119.01916	1.0
121.06493	0.4
122.06023	0.4
123.04419	0.4
125.02369	0.2
126.05511	0.5
126.09141	0.3
127.02420	0.3
127.03944	1.3
128.10721	3.8
129.03976	0.2
130.05061	0.9
131.01883	0.6
131.04961	0.2
132.03435	0.2
133.03482	0.4
134.03740	0.2
134.05988	0.4
135.04427	0.4
139.03915	0.3
141.03925	0.2
143.01892	0.5
144.10188	1.5
145.01694	0.2
145.03432	1.0
145.04990	0.3
147.04974	0.2
149.05963	0.4
149.07097	0.4
150.05499	0.6
150.09062	0.2
150.53503	0.3
151.04198	0.6
151.99097	0.2
152.03827	0.3
152.04980	2.0
155.01854	0.4
156.02551	0.2
157.03496	0.4
158.08067	0.3
159.05040	0.6
160.03752	1.0
161.02934	0.6
161.05559	0.6
163.04965	0.2
168.06534	0.2
168.10222	1.1
169.04431	1.3
171.05029	0.4
173.02953	0.8
175.02733	0.5
177.06592	0.2
178.04990	0.4
183.04927	0.2
187.04688	0.2
193.04982	0.2
195.07796	0.3
196.06087	1.1
196.09691	5.9
198.98460	0.3
199.04524	0.2
200.22086	0.2
201.06018	0.2
203.04016	0.3
213.15976	0.5
217.03746	0.2
221.05070	1.9
222.05544	0.2
223.07355	0.7
241.15460	100.0
242.09995	0.2
242.15804	2.5
249.26724	0.2
258.99588	0.2
259.06659	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.8
55.01897	1.7
55.05510	4.4
57.03434	2.6
57.07077	1.3
58.06596	1.0
59.07595	0.8
65.03944	1.8
67.05504	24.8
67.05844	2.0
69.07066	5.0
71.04993	100.0
79.05494	17.7
81.07057	41.9
83.05002	1.5
83.08611	2.6
85.06547	6.6
85.13274	1.1
86.57983	1.1
91.05479	13.2
93.07048	28.2
95.04989	3.0
95.08614	22.3
97.06546	3.8
98.97602	2.1
99.08088	2.0
105.07040	7.0
107.08605	9.0
109.10175	2.7
111.08103	2.6
115.07587	1.1
116.98692	1.2
117.07042	8.2
119.08598	2.4
121.06548	2.1
121.10163	2.9
125.09679	1.5
127.07542	1.5
128.06163	1.0
129.07030	2.1
131.08571	10.2
133.10138	8.6
135.08089	1.1
135.11691	18.5
140.40875	1.0
142.07756	1.8
143.08597	3.9
145.10094	1.5
149.13248	9.8
157.10165	3.2
159.11684	15.3
160.02144	1.1
168.81120	1.0
171.11723	3.0
177.12758	9.0
185.09650	3.3
185.13239	1.9
187.07596	2.5
199.07523	5.7
199.14786	1.7
209.15437	1.8
223.08833	2.4
241.10051	1.7
241.12239	2.8
241.15872	3.9
241.19624	7.9
242.28459	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	241.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.5
55.01870	1.4
55.05510	5.3
56.02654	1.9
57.03434	2.1
57.07076	2.0
58.89102	1.1
59.29399	1.0
62.28706	1.0
67.05502	25.7
67.31757	1.1
69.07060	4.5
71.04992	100.0
71.30494	1.5
72.05310	1.0
79.05492	15.4
81.03385	1.1
81.07054	43.3
83.04977	2.1
83.08621	2.3
84.04518	1.8
85.06554	7.7
91.05477	9.5
93.06473	1.9
93.07044	28.3
95.04951	3.7
95.08601	20.9
97.06541	4.5
98.97569	2.1
99.08105	3.2
105.07019	6.6
107.08576	9.8
109.06506	2.0
109.10147	2.4
109.74205	1.0
111.08085	3.4
116.98658	1.8
117.07011	8.6
119.08588	1.9
121.10137	4.6
124.97305	0.9
127.07589	1.5
129.07024	2.7
131.08566	9.3
133.10133	9.9
134.99663	1.3
135.11687	14.9
142.07719	1.4
143.08539	3.1
145.10121	1.0
149.13275	8.9
155.08554	1.2
157.10088	2.1
159.11681	17.6
171.11678	3.9
173.23997	0.9
177.12767	8.3
185.09534	1.1
185.13261	3.0
197.13480	1.3
198.91806	1.0
199.14853	1.8
209.15402	1.7
223.08733	1.1
241.09811	2.2
241.12213	3.5
241.15929	2.4
241.19608	9.1
242.10349	1.2
242.28404	4.5
264.99554	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.7
55.01867	2.0
55.05516	6.2
57.03426	1.3
57.07057	1.0
59.04979	0.9
65.03948	1.1
66.06660	0.8
67.05504	27.9
69.07068	6.5
70.06570	1.1
71.04994	100.0
71.08649	1.1
72.05316	0.8
79.05490	17.4
81.03429	0.9
81.07058	41.4
83.04981	2.9
83.08617	2.7
85.06532	6.5
91.05486	10.7
93.07043	30.6
95.04952	2.8
95.08610	18.0
95.09205	0.5
97.06526	6.7
99.08108	2.7
105.06998	6.1
107.04977	0.9
107.08606	8.1
109.06497	2.1
109.10143	1.5
111.08120	2.8
116.98641	1.0
117.07011	8.5
119.08591	2.8
121.06511	1.2
121.10149	4.9
123.08040	1.2
125.09643	1.1
127.07558	0.9
129.07066	1.9
131.08582	9.6
133.10123	8.4
134.99677	1.2
135.08115	1.0
135.10683	1.2
135.11690	15.6
142.07794	1.2
142.15945	1.1
143.08560	2.0
145.10133	1.0
147.11705	1.1
147.42093	0.8
149.09654	1.8
149.13254	10.6
157.10133	3.2
159.11685	21.5
171.11703	2.8
173.13287	1.1
177.12706	8.1
185.09508	1.6
185.13243	3.1
188.61707	1.0
189.12930	0.8
193.10124	1.1
193.85806	0.9
195.09184	1.0
197.13437	0.9
199.07559	2.1
199.14864	2.0
209.15402	2.8
223.08699	1.7
226.13409	1.1
241.09970	1.5
241.12207	1.8
241.15819	3.3
241.19640	8.7
241.23274	1.2
242.28432	1.8
251.37469	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73000	0.7
53.03948	1.5
54.03466	0.9
55.01881	1.5
56.05032	2.5
56.96569	3.4
57.03437	4.8
61.36911	0.8
67.01857	1.5
67.05505	2.1
68.05025	2.9
69.03438	5.3
69.07070	1.3
70.79700	2.0
72.08140	1.1
72.93816	0.9
79.05499	4.1
80.05027	13.2
81.03422	15.5
81.05353	1.1
81.85188	1.0
82.06597	1.6
83.06105	4.9
84.04511	100.0
85.02910	48.6
85.03431	1.7
91.05486	1.0
94.02881	0.9
94.06572	19.0
95.01348	1.7
95.04986	2.1
96.04492	1.6
97.02885	3.0
97.06551	1.7
98.06075	1.4
98.97577	8.4
99.04459	1.5
99.97919	0.9
104.05041	1.2
105.07056	1.0
106.06538	7.8
108.04488	1.8
110.06039	1.8
112.03965	5.7
112.04625	0.9
113.02360	8.7
113.06017	1.0
116.98631	5.8
119.37851	0.9
122.06039	31.3
122.43137	1.0
124.03935	1.1
126.05412	1.2
127.03933	1.4
130.05026	7.0
132.04488	2.7
134.06033	11.0
134.99658	3.9
136.07527	1.2
138.05466	0.9
140.07077	2.4
150.05510	23.0
150.09181	1.0
152.07173	0.9
153.05199	1.1
160.03954	2.1
162.05466	1.4
168.06569	9.3
171.07736	0.9
178.04996	10.6
178.08606	1.3
180.06554	1.1
187.12123	0.9
188.33087	1.0
196.06068	62.7
196.61024	0.9
197.06154	1.8
219.01819	1.6
224.05585	4.3
224.09148	3.5
237.03087	0.9
242.06458	1.1
242.07452	1.4
242.10049	25.7
242.13586	1.1
242.15651	2.0
255.03825	0.9
259.99881	1.2
260.95877	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0812
Annotation	Clausine-N
Peak:m/z	Relative Intensity
54.31527	0.3
55.63704	0.3
65.03944	0.9
65.53960	0.3
72.81804	0.3
74.06065	0.9
74.71359	0.3
80.04976	0.3
81.07041	0.3
83.66309	0.3
85.54552	0.2
91.05482	58.0
92.05804	0.7
98.23359	0.6
105.07056	0.4
108.10299	0.3
111.10783	0.3
115.05466	0.5
118.06573	0.4
130.06531	0.5
134.09621	1.4
141.06989	1.5
145.07594	1.0
150.09140	3.4
153.06982	0.4
154.06476	1.7
165.07036	0.4
166.07776	0.4
167.05829	0.4
167.07306	25.2
168.08087	52.9
169.06477	0.7
169.08362	1.3
170.07132	0.7
170.09645	0.8
172.08704	5.9
178.06526	0.4
181.10106	3.8
182.06018	0.9
182.07855	0.4
183.06837	0.3
195.06793	0.6
196.07581	100.0
197.08078	4.4
198.06631	2.3
198.09085	1.0
214.08665	2.6
216.07683	3.5
224.07021	0.7
224.08998	1.2
242.08110	72.3
242.15352	14.6
243.08716	13.9
243.15775	0.4
244.07021	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0811
Annotation	Clausine-N
Peak:m/z	Relative Intensity
59.14362	0.3
63.79972	0.3
65.03950	1.4
67.05491	0.3
70.63729	0.9
70.64091	0.5
74.06086	1.1
74.19317	0.3
79.05504	0.5
91.05482	80.0
92.05825	1.4
103.05476	0.5
105.07018	0.9
130.06516	0.8
132.08075	0.7
134.09613	1.8
141.06990	1.4
144.08115	0.4
145.07625	1.1
150.09137	4.9
153.06993	1.1
154.06499	1.4
165.58539	0.4
166.07796	1.0
167.05818	0.4
167.07306	27.0
168.08087	57.2
169.06581	0.5
169.08530	1.5
170.07181	1.5
170.09642	1.4
172.07426	0.3
172.08693	6.0
181.10089	5.2
182.06044	1.4
182.07938	1.1
183.06758	0.5
196.07578	100.0
197.06030	0.5
197.08189	5.4
198.06627	3.1
198.09126	1.2
200.08093	0.8
214.08617	2.7
216.07674	4.4
224.07091	0.7
224.09033	2.7
242.08109	76.6
242.15355	20.9
243.08705	14.9
243.11232	0.4
243.15628	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0766
Annotation	Taraxacine B
Peak:m/z	Relative Intensity
53.03955	0.5
54.56629	0.5
55.01888	1.0
55.05530	1.1
57.03451	0.5
57.07091	0.5
57.51855	0.3
58.61702	0.3
59.05018	0.3
67.05511	0.5
69.03437	2.7
69.07069	1.9
69.64995	1.5
69.68649	0.3
70.06615	1.0
71.05012	1.0
75.95616	0.3
79.05484	1.5
80.05035	0.6
81.03423	3.1
81.07063	3.6
83.05009	1.4
83.08627	0.3
84.04525	0.6
85.02932	1.2
86.09743	0.4
87.46096	0.3
91.05505	1.2
93.07065	0.8
95.04983	1.1
95.08626	1.8
97.02915	0.9
97.06525	2.2
98.09717	1.5
99.04476	0.9
99.08134	1.0
100.07636	0.7
103.05491	0.4
105.07066	1.3
107.04989	0.4
107.08602	1.6
109.06556	0.8
109.10178	1.0
111.04455	1.1
111.08096	1.1
115.05473	2.1
116.10754	1.2
119.04905	0.4
119.08639	1.0
121.10166	1.9
123.04406	0.4
123.08080	1.8
125.06034	0.4
125.09596	0.4
128.06216	0.9
128.07077	0.6
129.05577	0.5
129.07051	0.3
129.84332	0.3
130.06552	0.7
131.04953	0.4
133.06528	0.6
133.10130	0.5
134.06015	0.8
134.99669	0.3
137.09644	0.8
140.07083	0.7
141.06969	1.7
141.09154	0.5
142.06531	2.8
143.08511	0.4
144.05713	0.6
145.06526	0.7
145.10159	0.4
147.04460	0.5
147.11700	0.8
149.09668	0.8
151.07521	0.6
152.07179	0.5
153.05882	0.3
153.07050	0.8
154.06537	2.4
157.06488	0.4
158.05980	0.5
161.06067	0.4
165.06972	0.4
169.05211	0.4
169.06471	1.3
169.07565	1.5
169.12305	1.4
170.06012	10.4
171.06535	0.5
171.08080	1.0
172.04289	0.5
172.07587	0.4
173.05972	0.7
179.06050	0.8
180.06586	0.9
181.06136	0.4
181.07639	7.6
182.05992	5.2
182.07571	0.5
183.08127	0.7
189.12878	0.4
197.07135	65.2
198.05530	11.1
198.07605	3.0
198.09254	0.5
198.14885	3.0
199.08714	3.4
200.07014	0.5
201.05557	0.5
207.13847	0.7
215.08270	1.1
225.06723	3.6
225.14728	0.6
226.04997	7.2
226.14339	3.8
226.16165	0.4
243.07669	100.0
244.07896	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.1
55.01859	1.0
55.05508	1.3
57.03433	1.2
59.11946	0.4
60.63405	0.6
61.42302	0.5
65.03936	0.9
65.85635	0.5
67.05494	1.1
67.68407	0.5
69.03433	12.5
70.81599	1.3
71.01353	0.8
71.04999	2.4
73.02911	1.0
79.05512	1.7
81.03423	100.0
81.07060	0.6
82.03748	1.1
83.04987	5.0
83.83528	0.5
85.02898	2.7
91.05493	1.1
93.07089	0.6
95.04973	8.1
97.02908	4.3
98.97600	1.2
99.04456	7.8
104.19178	0.5
105.07046	1.4
107.04979	1.5
109.02898	1.6
111.04453	2.0
116.98650	0.7
118.26233	0.5
119.04956	0.9
121.02881	1.1
121.06539	0.7
123.04440	6.1
127.03929	2.0
129.05521	1.2
131.04897	0.6
133.06500	1.0
135.04417	1.3
137.06033	0.8
141.05548	0.5
149.05991	1.3
149.40004	0.5
153.05450	1.1
156.78566	0.7
162.01456	0.5
165.05536	0.8
177.05423	0.8
179.07104	0.8
195.06548	0.7
207.06645	1.3
243.08681	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	243.0875
Annotation	Lumichrome
Peak:m/z	Relative Intensity
69.03415	0.6
69.53004	0.4
69.53393	0.4
73.82803	0.2
81.03413	0.9
81.07067	0.3
85.02879	0.2
91.05499	0.5
97.02884	0.4
99.00818	0.5
99.04454	0.5
103.05458	1.7
109.02842	0.2
114.84227	0.2
116.04975	0.4
118.06531	1.8
130.06531	2.4
143.06070	0.2
143.08521	0.2
145.07600	7.3
157.06354	1.6
157.07642	0.6
170.07135	8.5
172.08691	44.3
173.09056	0.9
174.10316	0.4
175.08786	0.2
182.07140	0.5
190.09718	1.4
191.08153	0.2
197.08214	0.8
198.06618	19.8
199.06918	0.4
199.09827	0.5
200.08174	6.2
200.41560	0.2
216.07677	29.4
217.08003	0.8
218.09242	0.9
225.07593	0.4
237.36182	0.2
243.08757	100.0
244.07048	1.0
244.09274	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75230	0.3
53.03942	0.3
55.05511	0.5
57.03446	0.3
67.05499	0.9
69.03423	0.4
69.07060	0.6
69.51721	0.3
71.04990	0.4
71.29716	0.4
79.05502	0.7
81.03409	1.2
81.07050	0.8
83.04967	0.3
85.06551	0.4
91.05476	7.7
92.05808	4.5
93.07021	0.6
95.04942	0.3
95.08593	1.2
97.02868	0.3
99.00910	0.3
99.04442	0.3
103.05489	1.8
103.53079	0.3
105.07005	1.0
107.08563	0.3
109.10140	0.5
113.09609	0.3
115.05476	0.6
116.04984	0.5
118.06520	1.5
119.08577	0.9
123.08078	1.0
129.07016	0.3
130.06540	2.0
130.07426	0.3
131.08531	0.5
134.06056	0.4
141.06960	0.5
142.07605	0.3
143.08490	0.5
145.06537	0.4
145.07602	6.9
145.10104	0.5
146.54399	0.3
151.09450	0.4
155.08606	0.4
157.06366	1.3
157.07530	0.5
157.10133	0.5
159.11673	0.5
161.13225	0.3
165.12682	0.6
167.07213	0.4
168.07664	3.4
169.06412	0.3
169.08421	6.5
169.10017	0.4
170.07137	6.2
171.07695	0.3
172.08691	40.9
173.09186	0.5
174.10248	0.5
182.07138	0.4
182.10490	0.6
183.11676	1.0
185.13261	0.6
187.11125	0.3
190.09738	1.6
196.07582	0.8
197.07928	13.2
197.13315	0.4
198.06609	15.9
199.06998	0.3
199.09650	0.6
200.08147	5.4
201.05460	0.6
215.07005	0.3
216.07674	26.7
217.07965	0.7
218.09273	0.7
222.13194	0.3
225.09354	0.4
225.16463	0.3
243.08734	100.0
244.07086	0.9
244.09258	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1591
Annotation	[1R-(1alpha,2beta,3beta)]-3-Hydroxy-2-(hydroxymethyl)-3-methyl-gamma-methylene-cyclopentanebutanoic acid methyl ester
Peak:m/z	Relative Intensity
55.01868	2.4
55.05505	7.0
57.03429	4.9
57.07080	1.6
59.05010	1.9
67.05499	9.2
69.03432	6.8
69.07056	6.7
69.73338	4.5
69.73734	3.2
71.04986	33.3
79.05494	13.5
81.03413	5.9
81.07056	21.3
83.05001	8.6
83.08611	1.8
85.02896	2.5
85.06536	1.9
89.41451	1.5
91.05484	10.6
93.07032	12.1
95.01378	1.6
95.04964	47.7
95.08605	15.3
97.06512	8.8
98.09676	3.0
98.23321	2.1
98.97573	1.6
99.04446	13.9
99.08108	12.3
105.07027	16.8
107.04981	1.9
107.08594	100.0
109.06508	13.3
109.10164	16.9
111.04500	2.6
111.08071	5.8
113.06004	1.6
115.07533	2.0
116.10720	2.6
119.08582	14.6
120.16345	1.6
121.06488	1.6
121.10136	28.4
123.08064	10.4
123.11711	3.6
125.09621	4.7
127.07578	3.9
131.08598	4.2
133.10161	3.8
135.08067	2.6
135.11700	3.8
137.09627	18.4
140.07034	2.2
141.07002	2.7
141.09137	3.3
145.10114	4.0
147.11681	32.0
147.12767	2.6
149.09624	20.9
151.07541	2.1
153.09114	16.2
155.10651	6.7
161.13277	8.3
165.12764	17.1
167.10635	4.3
169.06458	2.3
169.08678	1.7
169.12320	4.2
171.10268	3.4
171.11621	3.2
172.04332	2.4
179.14316	5.4
189.12755	7.6
197.05789	2.2
197.07246	3.0
197.75172	1.8
198.14870	11.4
207.13887	7.8
215.07016	2.1
225.14839	8.1
226.14325	16.1
243.07677	6.2
243.15894	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.3
55.01866	3.3
55.05512	4.5
57.03423	1.7
57.07076	1.6
59.04990	2.3
65.03944	1.1
67.05520	5.0
69.03427	4.8
69.07070	11.2
69.47779	3.8
70.06580	3.7
71.04991	5.1
72.08127	1.0
79.05493	6.2
81.03417	5.4
81.07052	9.3
83.04983	4.3
83.08628	1.6
84.04510	1.8
85.02886	1.8
85.06543	1.2
85.43368	0.9
91.05489	4.5
93.07037	3.7
95.01323	1.2
95.04964	5.8
95.08616	8.8
97.02885	1.5
97.06530	14.7
98.09695	3.1
98.97572	1.7
99.04462	2.1
99.08096	2.7
100.07571	1.8
105.07008	5.9
106.58844	0.9
106.78364	0.9
107.08584	11.5
109.06513	4.6
109.10164	6.8
111.04450	4.8
111.08066	6.0
113.05988	1.3
114.05518	0.9
115.05456	3.5
115.07574	3.2
116.07106	1.0
116.10728	1.7
116.98568	1.1
119.04958	2.3
119.08581	5.0
121.10143	11.1
123.04475	0.9
123.08067	9.5
123.11689	2.3
125.09606	3.8
128.06226	2.2
128.07094	1.5
129.09131	1.1
130.06483	1.4
131.04845	1.1
131.08574	2.0
133.06453	1.2
133.10156	1.9
134.05969	0.9
135.08072	0.9
135.11761	1.0
137.09636	4.6
139.11154	1.1
141.07011	3.3
141.09123	3.3
142.06540	2.9
144.05751	1.3
145.06514	1.9
145.10114	1.0
147.08015	1.0
147.11687	7.7
149.09608	6.3
151.07552	3.5
151.11209	1.6
153.06985	1.4
154.06526	3.9
155.08589	1.0
157.06479	1.5
159.08035	2.3
161.13281	4.4
163.11159	2.3
165.06927	2.0
165.12746	2.8
167.10695	1.7
169.06436	3.0
169.08588	3.9
169.12227	6.1
170.06004	13.7
171.08029	1.9
180.06569	1.6
181.07632	8.5
181.12238	2.4
182.06029	4.5
183.08095	2.0
189.12773	3.9
197.07150	64.3
197.59396	0.9
198.05515	13.7
198.07556	2.5
198.09280	1.1
198.14838	6.4
199.08716	3.0
200.07021	1.1
207.13840	6.0
211.07599	1.7
215.06776	1.3
215.08545	1.0
225.06638	3.8
225.08907	1.0
225.14827	5.5
226.04974	7.2
226.14349	7.9
243.07672	100.0
243.15794	11.1
244.08018	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	243.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.3
55.01857	3.7
55.05511	10.3
56.19812	1.1
56.96549	1.4
57.03431	8.8
57.07058	3.1
58.97510	1.2
59.04981	2.6
61.02908	1.3
65.03923	2.9
67.05507	11.1
69.03423	9.6
69.07067	9.9
70.06571	2.9
71.01347	1.5
71.04996	34.4
71.29437	1.4
71.29803	1.4
72.93756	1.2
79.05487	18.1
80.04993	2.0
81.03421	16.5
81.06606	2.1
81.07052	30.0
82.06553	2.5
83.04972	11.4
83.08603	2.3
84.04486	3.4
85.02897	6.3
85.06529	2.4
87.04420	1.3
91.05479	17.1
93.07044	14.5
95.01316	4.4
95.04385	2.8
95.04969	52.1
95.08050	1.9
95.08601	24.5
97.02886	2.0
97.06515	8.2
98.06081	1.6
98.09682	7.6
98.97571	2.9
99.04458	17.4
99.08095	17.9
100.07622	5.7
105.07030	18.0
107.04926	2.7
107.08591	100.0
108.08909	1.4
109.02835	1.4
109.06511	11.4
109.10153	20.3
110.06015	1.7
111.04427	7.3
111.08089	7.3
113.05958	2.6
114.09149	1.9
115.05406	3.1
115.07534	2.7
116.10714	6.3
116.98553	1.5
117.06982	1.9
119.04977	5.8
119.08581	12.8
121.06493	2.8
121.10147	26.3
123.04426	5.9
123.08068	13.1
123.11678	4.7
125.05946	3.1
125.09631	4.4
126.02122	1.8
127.07521	5.4
128.06201	2.2
128.07063	3.1
129.06935	2.1
130.06477	2.1
131.08534	3.0
133.06451	2.4
133.10110	3.5
134.05977	3.9
135.08080	2.7
135.11667	1.9
137.09605	19.1
137.13203	1.6
140.07054	3.3
141.06987	7.7
141.09177	2.9
143.08557	2.3
145.06485	3.1
145.10097	4.8
147.08020	1.5
147.11691	39.0
148.63113	1.3
149.05936	1.6
149.09593	20.1
151.07541	12.4
151.11110	2.3
152.07091	1.5
153.07014	2.6
153.09106	14.1
154.06232	2.0
155.10611	5.6
157.06444	1.8
157.07571	1.4
158.06015	1.3
159.07954	2.5
161.13275	9.7
164.14320	1.7
165.06976	1.7
165.09052	2.7
165.12758	14.8
167.10643	3.3
169.06456	6.1
169.08673	1.8
169.12224	3.3
171.04262	1.3
171.07999	3.1
171.10100	3.3
171.11586	2.7
172.04146	1.2
173.05916	3.8
179.14275	5.0
180.06523	3.3
181.06421	1.6
187.07474	1.6
189.12749	9.4
197.05846	10.1
198.14879	21.5
207.13844	7.7
214.41330	1.3
215.06929	5.1
225.05420	2.2
225.14778	6.3
226.14378	27.8
227.14656	1.6
243.02805	1.3
243.06482	5.6
243.08609	1.9
243.15857	49.6
244.16219	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	244.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.05520	1.0
57.03440	1.1
64.65215	0.5
65.03963	0.9
66.39334	0.5
67.05501	1.3
69.03426	0.9
70.06615	0.6
72.08134	0.6
74.84904	0.4
79.05498	1.3
80.05019	100.0
81.03433	1.0
81.05348	1.6
81.07061	1.4
82.06579	0.8
83.01354	0.7
83.04986	1.8
83.08556	0.5
84.04498	0.6
85.02915	2.0
86.09715	4.7
91.05484	8.0
92.05009	3.1
93.05781	2.9
93.07037	1.8
94.06577	1.8
95.04974	21.9
96.04482	1.5
97.02871	0.6
98.23359	1.2
99.73827	0.5
103.05466	3.1
105.04520	1.2
105.07037	1.5
106.06578	0.8
107.04960	16.9
109.06528	1.1
110.06046	2.3
114.05545	1.2
115.05441	1.0
119.04947	29.3
119.08590	1.2
120.04460	1.4
121.06528	2.1
123.04432	59.3
124.04762	0.8
128.06250	1.0
129.06995	0.9
131.04904	0.6
131.08560	0.8
133.06483	0.8
134.06035	2.1
137.06030	0.5
138.05502	10.3
141.07022	0.6
142.07800	0.5
143.04913	0.6
143.08578	1.8
145.06538	0.5
147.04417	20.7
152.07092	3.2
156.09346	3.7
156.61028	0.6
157.06503	0.9
157.10114	2.2
159.08118	0.7
159.11639	0.7
160.12120	0.8
161.06013	1.5
161.09654	1.3
165.05489	23.0
166.05864	0.6
169.06464	1.0
171.08037	1.5
171.11723	4.2
172.08937	0.6
173.09396	0.6
173.13370	0.5
175.07521	0.5
175.11038	0.6
180.06627	2.6
183.11739	0.7
184.08861	1.5
185.09622	1.8
186.10414	1.4
196.07645	1.0
198.07635	2.1
198.09282	2.9
199.07698	0.6
199.11194	10.6
201.12849	0.6
203.07056	1.8
203.10701	1.0
212.08336	0.8
216.10263	1.8
217.12296	1.8
226.08727	1.5
227.10666	4.0
230.09337	1.1
244.09712	47.3
245.09758	0.8
245.11777	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	245.0333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24526	0.6
53.68605	0.6
55.01857	0.8
55.05512	7.9
56.05028	1.1
56.96564	100.0
57.03430	1.1
57.07069	0.6
58.06594	1.7
60.61659	0.6
62.58605	0.5
63.03680	0.5
63.41876	0.5
65.91831	0.5
66.87202	0.6
67.05500	1.4
68.05022	3.7
69.03440	3.4
69.07082	0.8
70.06599	1.8
70.98109	4.5
71.04993	1.0
71.28500	0.8
71.28903	0.7
71.95274	2.7
72.08151	2.7
73.02917	0.6
73.06555	3.3
74.97614	2.8
78.49826	0.6
79.05511	0.9
81.03414	3.5
81.07068	2.0
82.06626	0.7
83.04980	12.2
83.06129	1.0
84.04504	33.7
84.08145	1.0
84.96031	13.0
85.02911	5.0
85.06561	1.7
86.06075	1.1
86.92908	0.5
87.04487	1.0
88.99152	1.0
95.01315	1.0
95.04977	1.4
95.08635	0.8
96.04487	3.9
97.02889	10.7
97.06509	0.6
97.90495	0.6
98.09676	0.8
98.97570	1.5
99.04478	2.0
100.07607	3.1
100.11249	5.0
101.06019	0.7
101.07178	0.9
102.05511	3.3
102.97088	1.6
107.04983	0.7
108.99636	3.4
110.09689	6.9
111.05588	2.1
114.05531	17.1
116.98615	1.1
117.07021	0.7
117.10259	1.8
120.97982	0.7
123.08121	0.8
125.02373	0.6
125.06041	0.7
127.00682	32.5
127.03895	1.2
130.05002	38.9
138.09128	9.6
142.04994	16.2
142.06039	1.0
145.01724	42.1
150.57516	0.6
152.98553	3.5
155.11758	4.0
156.10226	2.4
157.06595	0.6
159.09193	0.8
163.02791	8.7
168.03340	1.5
169.92308	0.6
170.99648	34.1
180.16212	0.7
181.13441	0.8
184.09691	38.6
185.01277	1.4
185.10243	0.8
189.00703	49.1
194.01251	1.0
201.12335	45.6
202.10789	3.2
202.12483	0.6
203.02234	15.2
207.01814	4.2
209.16710	0.7
212.02272	1.3
221.03328	45.8
222.03952	1.1
227.14017	2.2
239.04356	4.1
244.05017	1.4
245.03236	2.9
245.09895	1.2
245.15050	2.2
245.18726	2.3
246.18127	3.0
263.04510	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.01874	10.0
55.05496	3.2
57.03426	1.7
57.98174	1.0
58.15382	1.0
65.03959	1.4
65.98935	1.0
67.05501	2.5
69.03433	9.8
69.07057	2.5
71.28358	1.4
79.05499	3.5
80.04994	2.0
81.03403	6.5
81.07053	3.6
83.04983	6.0
86.09729	1.4
90.94143	1.1
91.05470	8.7
93.07038	4.5
95.04975	3.0
95.08611	2.5
103.05478	7.2
105.07031	7.3
107.04966	3.2
107.08611	2.7
110.06046	3.3
111.87608	1.1
115.05464	15.2
117.07014	3.3
119.04921	4.1
119.08585	3.8
119.71938	1.1
120.08137	1.6
121.06559	1.1
121.10104	2.0
127.05402	2.4
128.06224	44.0
129.07014	12.3
130.06508	2.0
131.04919	10.4
131.08559	4.2
132.08081	7.5
133.06479	2.7
133.10123	3.0
135.08075	2.0
141.06999	16.0
142.03267	1.6
142.07761	3.2
143.04968	5.5
143.08574	17.7
144.05696	5.2
145.06502	7.7
145.10136	3.7
147.04404	9.2
147.08025	2.1
147.11742	1.5
149.06004	1.5
149.09592	1.7
152.06200	25.5
152.07368	2.0
153.06995	39.8
154.07762	2.6
154.25650	1.2
155.04897	3.7
155.06071	4.5
155.08548	16.6
156.05716	4.9
156.09286	2.7
157.06485	19.4
157.07677	1.9
157.10100	4.1
159.04410	13.1
159.07996	3.1
159.09169	13.9
159.11696	2.3
161.06024	4.6
161.09578	6.0
165.07001	18.8
165.08273	1.8
168.05695	11.8
169.06490	38.7
170.07269	26.6
171.04404	5.0
171.08052	38.2
171.11671	4.3
173.06024	4.2
173.09680	1.2
175.11182	1.7
176.04715	5.5
177.05450	10.2
181.06468	79.4
182.07179	5.1
183.04434	2.0
183.08064	10.5
183.11674	1.6
184.05205	13.8
184.07489	1.7
184.08905	1.6
185.05803	11.4
185.07198	2.9
185.09503	1.5
185.13239	4.8
188.08379	2.4
189.05510	1.3
189.12776	1.6
197.05980	12.6
198.06787	3.9
199.07539	23.6
199.09337	1.9
199.11179	3.6
199.14799	3.0
201.05495	2.7
201.10194	1.5
203.08211	3.9
203.10522	5.3
203.14603	1.2
209.05965	7.6
212.08298	2.3
215.06944	1.9
217.09860	1.7
217.12215	3.2
227.06993	100.0
227.10715	5.9
227.14346	2.1
228.07382	3.7
245.04243	1.5
245.08241	8.0
245.09109	7.5
245.11346	14.5
245.15350	11.0
245.18921	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
55.01890	8.3
55.05504	5.6
57.03431	2.4
59.43319	1.4
65.03934	1.8
67.05503	3.8
69.03419	10.4
79.05479	5.5
80.05029	1.3
81.03416	5.4
81.07049	4.2
83.04989	9.1
84.96012	1.6
87.59362	1.5
89.03883	1.5
91.05505	9.5
92.19383	1.2
93.07037	4.9
95.04948	2.4
95.08624	3.5
98.06065	1.9
98.83701	1.8
99.04444	2.2
103.05460	7.1
105.07021	5.3
107.04980	2.3
107.08608	2.6
110.06059	3.5
115.05463	15.7
116.06283	1.7
117.03387	1.7
117.07047	3.1
119.04946	3.6
119.08580	5.6
121.06487	2.3
121.10192	1.9
127.05422	2.1
128.06227	44.6
129.07048	11.9
130.06511	3.3
131.04924	9.2
131.08568	5.3
132.08134	9.6
133.06511	5.0
133.10159	3.5
135.08040	2.7
140.06216	1.5
141.06976	17.6
142.03206	3.5
142.06598	2.1
142.07777	2.8
143.04938	5.9
143.08568	17.0
144.05704	5.5
145.06441	6.8
145.10129	5.0
147.04399	12.2
147.08078	1.9
152.06200	24.8
153.06996	38.6
154.07590	2.6
155.04907	3.7
155.06055	5.2
155.08560	16.8
156.05690	6.2
156.09360	4.2
157.06505	19.9
157.07607	2.3
157.10130	5.3
159.04459	12.1
159.08066	2.5
159.09180	13.8
159.11711	1.4
160.14200	1.5
161.06015	3.0
161.09634	4.7
165.07019	16.8
168.05695	14.1
169.06506	34.0
170.07285	24.5
171.04437	3.9
171.08063	36.2
171.11732	5.1
173.05997	4.7
175.11128	2.1
176.04718	4.9
177.05475	10.0
180.79712	1.5
181.06474	82.5
182.07187	6.4
183.08118	10.1
184.05186	12.7
184.07520	2.5
185.05797	11.5
185.07254	4.0
185.09624	2.8
185.13235	5.9
187.07632	1.8
187.11122	2.0
189.12762	2.9
197.06035	12.0
198.06726	4.2
199.07545	27.5
199.11224	5.0
199.14798	2.3
201.05481	1.9
203.08136	5.7
203.10698	5.7
209.05922	7.2
212.08330	2.6
217.12320	4.8
225.05496	2.0
227.06989	100.0
227.10703	6.4
227.14246	2.9
228.07478	1.6
245.07991	4.3
245.09271	7.0
245.11501	16.4
245.15392	11.6
245.18942	3.5
246.18512	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	245.0808
Annotation	Suberenone
Peak:m/z	Relative Intensity
53.03945	1.7
55.01874	10.0
55.05496	3.2
57.03426	1.7
57.98174	1.0
58.15382	1.0
65.03959	1.4
65.98935	1.0
67.05501	2.5
69.03433	9.8
69.07057	2.5
71.28358	1.4
79.05499	3.5
80.04994	2.0
81.03403	6.5
81.07053	3.6
83.04983	6.0
86.09729	1.4
90.94143	1.1
91.05470	8.7
93.07038	4.5
95.04975	3.0
95.08611	2.5
103.05478	7.2
105.07031	7.3
107.04966	3.2
107.08611	2.7
110.06046	3.3
111.87608	1.1
115.05464	15.2
117.07014	3.3
119.04921	4.1
119.08585	3.8
119.71938	1.1
120.08137	1.6
121.06559	1.1
121.10104	2.0
127.05402	2.4
128.06224	44.0
129.07014	12.3
130.06508	2.0
131.04919	10.4
131.08559	4.2
132.08081	7.5
133.06479	2.7
133.10123	3.0
135.08075	2.0
141.06999	16.0
142.03267	1.6
142.07761	3.2
143.04968	5.5
143.08574	17.7
144.05696	5.2
145.06502	7.7
145.10136	3.7
147.04404	9.2
147.08025	2.1
147.11742	1.5
149.06004	1.5
149.09592	1.7
152.06200	25.5
152.07368	2.0
153.06995	39.8
154.07762	2.6
154.25650	1.2
155.04897	3.7
155.06071	4.5
155.08548	16.6
156.05716	4.9
156.09286	2.7
157.06485	19.4
157.07677	1.9
157.10100	4.1
159.04410	13.1
159.07996	3.1
159.09169	13.9
159.11696	2.3
161.06024	4.6
161.09578	6.0
165.07001	18.8
165.08273	1.8
168.05695	11.8
169.06490	38.7
170.07269	26.6
171.04404	5.0
171.08052	38.2
171.11671	4.3
173.06024	4.2
173.09680	1.2
175.11182	1.7
176.04715	5.5
177.05450	10.2
181.06468	79.4
182.07179	5.1
183.04434	2.0
183.08064	10.5
183.11674	1.6
184.05205	13.8
184.07489	1.7
184.08905	1.6
185.05803	11.4
185.07198	2.9
185.09503	1.5
185.13239	4.8
188.08379	2.4
189.05510	1.3
189.12776	1.6
197.05980	12.6
198.06787	3.9
199.07539	23.6
199.09337	1.9
199.11179	3.6
199.14799	3.0
201.05495	2.7
201.10194	1.5
203.08211	3.9
203.10522	5.3
203.14603	1.2
209.05965	7.6
212.08298	2.3
215.06944	1.9
217.09860	1.7
217.12215	3.2
227.06993	100.0
227.10715	5.9
227.14346	2.1
228.07382	3.7
245.04243	1.5
245.08241	8.0
245.09109	7.5
245.11346	14.5
245.15350	11.0
245.18921	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44351	0.3
68.99776	0.9
69.20551	2.3
69.20892	0.5
73.33116	0.3
81.69572	0.3
87.00824	1.2
115.05450	4.0
117.05762	3.0
118.06555	2.9
129.06989	2.4
130.06517	12.7
131.07314	0.4
132.08080	54.7
133.08406	1.1
140.05006	0.8
142.06516	9.3
142.07629	0.5
143.07263	0.3
144.08105	0.5
154.06517	1.5
156.06868	0.5
156.08069	5.2
157.07602	8.4
158.06111	1.5
158.08372	6.2
158.09642	0.4
159.09163	100.0
160.07570	8.4
160.09511	2.6
166.06543	0.5
167.06058	4.2
170.06007	3.9
171.06767	0.6
171.09183	0.9
172.07587	1.4
181.07623	2.0
182.05992	1.2
183.09120	1.5
184.07576	15.6
185.07088	47.7
186.07442	1.3
194.69019	0.3
199.08673	2.0
200.07069	6.9
200.08783	0.6
201.10216	11.1
202.10472	0.4
209.07068	2.2
227.08142	35.9
228.08467	1.3
245.09207	18.7
245.15483	0.5
246.09526	0.6
256.23111	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32007	0.4
53.03938	1.4
55.01875	0.5
55.05512	42.4
56.10569	0.4
56.23754	0.4
57.03432	2.7
61.02916	1.1
65.65408	0.4
67.04241	0.4
69.03429	10.6
69.07060	0.9
70.06584	0.6
71.04987	1.0
71.09406	0.7
73.06557	0.9
79.05477	0.9
81.03411	6.4
81.07071	0.5
83.04978	100.0
84.05307	1.3
84.08134	0.6
85.02905	7.4
86.09702	11.6
91.05452	0.5
93.07058	0.4
95.04971	0.4
97.02888	10.9
99.04446	1.4
101.02372	0.6
101.06020	8.1
105.07033	0.7
107.04885	0.4
109.02888	2.9
111.05535	0.4
115.05482	0.5
127.03906	3.6
128.06230	0.9
130.06528	1.4
132.08080	0.9
142.03291	0.5
143.08609	0.8
144.08069	0.4
145.05002	0.5
145.06490	0.8
153.07071	0.5
157.06439	0.5
158.06007	1.4
159.09193	2.3
159.82942	0.4
171.04466	0.5
171.08063	0.9
181.06651	0.6
185.07219	0.5
199.03941	0.7
199.07532	0.7
199.12389	0.7
201.05411	0.6
217.04880	0.6
217.08589	0.5
227.09265	0.4
227.11714	0.5
245.05801	0.4
245.07944	0.6
245.10016	1.8
245.12871	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01871	1.5
55.05513	24.0
57.03440	5.0
59.05001	1.3
61.02924	1.1
64.72663	0.3
67.05504	2.8
69.03432	5.6
69.07071	2.3
71.04973	0.6
73.61147	0.4
76.72153	0.5
79.05507	3.3
81.03420	4.0
81.07054	3.2
83.04981	100.0
83.08621	5.3
84.05324	1.6
85.02901	3.5
85.06593	0.5
90.10935	0.3
91.05480	1.8
93.07059	1.8
94.27549	0.4
95.04935	0.6
97.02890	3.0
97.10171	12.9
101.06024	4.5
105.07030	2.0
107.04941	0.4
107.08597	4.2
109.02875	1.8
109.06576	0.6
109.10164	1.0
111.08092	0.4
115.05447	0.7
117.07030	1.0
118.68558	0.3
119.08604	0.5
121.06477	0.5
123.04401	0.4
123.08070	0.4
125.09624	13.0
127.03922	1.5
128.06271	1.1
128.16476	0.3
129.06989	0.7
129.68091	0.3
131.04895	0.6
131.08578	0.8
132.08130	1.1
133.06537	0.6
133.10107	0.6
135.08064	1.3
137.06036	0.3
141.07071	0.4
142.03256	0.7
142.07761	0.8
143.08551	1.1
143.10699	0.5
145.06512	0.7
145.10062	0.7
147.08119	0.6
150.30408	0.3
153.07088	0.5
153.09087	0.9
155.08563	0.6
156.09286	0.8
157.06535	0.5
157.10138	0.9
159.09279	2.1
159.11662	0.7
161.06009	0.8
161.09579	0.5
163.03958	0.5
169.06494	0.7
169.10139	0.4
171.08127	0.5
171.10176	1.1
171.11707	1.1
173.09735	0.4
173.13356	0.4
174.09358	0.5
175.11255	0.5
181.06566	1.1
185.07204	0.7
185.09605	0.6
185.13261	1.3
187.11163	0.4
189.09454	0.4
189.11227	9.4
189.12836	1.0
199.07578	0.5
199.11217	1.3
201.05470	0.9
203.08249	0.7
203.10606	0.7
217.12331	0.6
227.07037	0.9
227.08943	0.7
227.10738	1.0
227.14355	0.7
245.09454	2.5
245.11765	1.4
245.13654	5.5
245.18944	0.6
246.18652	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1172
Annotation	Linderalactone
Peak:m/z	Relative Intensity
50.28423	0.3
55.01860	0.3
55.05499	0.4
57.03432	0.6
57.62008	0.3
65.29796	0.3
69.03426	2.1
69.55048	0.9
81.07031	0.5
83.04997	0.3
91.05480	1.0
93.07027	0.7
97.10143	0.3
98.23295	0.4
105.07018	0.8
115.05451	0.5
119.08596	1.0
121.06483	0.6
128.06219	1.1
129.07021	1.9
131.08521	0.5
132.05685	0.3
133.10117	0.6
135.08118	0.3
137.05952	0.6
141.06952	1.4
142.07765	0.9
143.08575	2.3
144.05684	0.3
145.06470	1.1
145.10121	0.3
146.07208	0.3
147.04338	0.3
147.08052	3.2
153.06992	0.5
155.08559	0.8
156.09335	2.6
157.06483	2.2
157.10143	1.6
158.07243	1.4
158.74252	0.3
159.08049	4.1
160.08826	1.3
161.05957	0.8
161.08438	0.3
161.09583	1.8
161.13235	0.3
164.39084	0.3
165.06972	1.8
166.07765	2.5
169.06454	1.7
170.07251	0.5
171.08038	2.7
171.11679	3.6
172.08801	0.3
173.05957	1.8
173.09645	0.9
174.06694	0.6
174.10382	1.0
175.07536	11.2
176.08244	0.6
179.08617	0.3
181.10135	2.3
183.07993	1.4
183.51613	0.3
184.07199	0.4
184.08826	4.7
185.09567	1.6
187.07521	7.1
188.08295	1.7
189.05441	0.3
189.09128	4.2
189.12662	1.4
190.06255	4.2
194.07277	0.6
195.08139	0.4
197.05977	2.7
197.09624	1.1
198.06747	0.5
199.07616	0.4
199.11172	8.3
201.09122	2.7
202.09877	11.7
203.07024	8.0
203.10530	1.1
209.09596	5.8
210.09969	0.3
211.07547	1.0
212.08296	7.3
213.08876	0.4
215.07033	2.1
216.07628	0.3
217.12224	44.3
218.12561	1.4
227.10649	7.4
230.09357	3.5
245.11710	100.0
246.12083	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1173
Annotation	CHEBI:69074
Peak:m/z	Relative Intensity
53.03940	2.5
53.47572	0.7
55.01867	3.8
55.05513	8.5
55.08019	0.7
56.49095	0.7
57.03440	5.1
57.07056	1.2
59.05003	1.0
67.05492	3.0
68.99798	1.0
69.03431	9.5
69.07063	1.8
69.61858	4.4
71.04972	1.2
79.05492	5.4
80.05017	6.0
81.03416	4.3
81.05356	2.7
81.07066	5.2
83.01345	0.9
83.04983	20.3
85.02911	4.7
85.06524	1.6
86.09708	33.6
91.05475	10.7
93.07048	6.6
95.04979	4.2
97.02898	4.8
98.23278	1.0
99.04465	5.4
101.05968	1.8
103.05486	1.7
105.07036	14.5
107.04934	2.6
107.08598	2.1
109.02882	3.4
109.06538	4.1
109.75094	0.8
111.04339	0.9
111.08080	3.0
115.05430	4.9
116.06174	0.8
117.06993	3.0
119.04950	8.1
119.08571	7.4
120.05276	1.9
121.06491	2.9
121.10126	3.1
123.04428	3.4
124.04723	1.9
125.02328	3.5
127.03943	5.4
128.06219	9.0
129.06319	0.7
129.07024	9.7
131.04962	2.0
131.08571	7.3
132.10187	1.3
133.06485	5.7
133.10146	8.3
135.04399	3.5
135.08052	1.4
141.06979	9.2
142.03224	1.2
142.07790	11.8
143.04912	1.4
143.08575	16.4
144.09286	1.6
145.06450	5.1
145.10162	4.3
146.07283	1.9
147.04353	2.0
147.08067	5.7
147.11676	1.9
148.04710	1.1
149.05974	1.4
149.09621	1.6
152.06218	1.2
153.06943	4.2
154.07716	1.6
155.08528	5.9
156.09343	35.2
157.06473	3.9
157.10138	16.9
158.07240	1.9
158.10867	3.8
159.08072	6.4
159.11716	5.8
160.08780	2.3
161.02351	2.2
161.05974	9.3
161.09624	14.9
161.13231	1.9
165.05589	1.3
165.07028	3.5
166.05757	1.7
166.07771	3.1
167.08563	2.3
168.09312	2.0
169.06487	7.6
169.10144	1.6
170.07216	1.6
171.04404	1.6
171.08084	7.4
171.11700	41.2
172.08711	1.8
172.12039	1.7
173.05945	1.4
173.09616	3.8
173.13248	2.5
174.10382	1.8
175.03952	1.1
175.07570	5.5
175.11177	3.7
179.08560	0.9
181.06494	2.3
181.10098	4.2
183.08058	4.3
183.11662	3.9
184.08838	24.2
185.06024	4.2
185.09601	16.3
186.10403	10.6
187.07509	3.6
187.11145	2.5
189.05476	2.5
189.12735	5.8
194.07382	1.1
197.05977	1.8
197.09601	1.2
199.03874	1.8
199.07477	3.8
199.11180	99.0
200.11620	4.0
201.05476	1.6
201.08955	1.1
201.12750	7.8
202.06198	2.8
202.09920	1.2
203.07027	20.5
203.10620	6.4
209.09673	2.2
212.08321	15.0
213.08525	1.0
215.06981	1.9
215.10661	1.0
217.12247	15.0
227.07025	2.0
227.10667	34.3
230.09354	10.2
245.11728	100.0
246.12013	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	245.1385
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
53.03938	6.9
55.01866	20.5
55.05510	33.6
57.03448	10.5
59.97525	4.7
67.05507	32.9
68.28698	4.8
69.03436	9.7
69.07092	10.4
70.45738	4.6
71.04993	7.4
71.29168	6.3
79.05485	24.7
80.05016	16.4
81.05342	8.0
81.07073	24.6
83.04980	100.0
83.08619	9.8
85.02931	5.9
85.06551	8.8
91.05508	27.7
93.07046	22.3
95.04987	8.6
95.08612	12.8
97.01103	6.5
97.06543	9.7
97.10152	10.6
103.05504	5.5
105.07033	24.5
107.04964	9.1
107.08606	20.7
109.06506	8.0
109.10155	14.5
111.04448	62.8
111.08096	21.2
115.05481	8.2
117.07019	10.3
118.06614	6.9
119.08584	18.1
121.10145	19.8
123.02654	7.6
123.04453	9.1
125.09641	9.7
128.06273	6.0
129.06999	17.2
130.06537	10.8
131.08545	21.0
132.08087	53.9
133.02776	4.5
133.10172	9.6
135.08026	6.1
135.11682	16.0
141.06900	5.7
142.03210	6.6
142.06511	8.9
143.08569	25.2
145.02853	6.7
145.06413	5.8
145.10089	28.3
147.04338	5.3
147.11697	7.6
149.09636	7.7
149.29716	5.1
151.39143	5.0
153.07161	5.8
153.12752	23.9
155.08589	6.3
156.08142	6.7
156.09335	6.3
157.10143	15.8
157.21729	4.6
159.04413	5.7
159.07956	7.7
159.09184	95.7
159.11768	7.0
160.07620	6.6
161.02342	13.5
161.09630	6.1
163.03903	25.8
163.11168	35.8
167.06123	6.3
171.08083	8.7
171.11751	11.0
173.09593	10.3
181.12228	52.6
183.11665	8.7
184.07530	13.1
185.07094	49.7
185.13300	14.4
189.09155	7.3
189.11234	8.5
191.10657	49.0
199.14812	13.6
200.07076	5.6
200.10699	5.4
201.05463	16.7
201.10197	5.6
209.11703	9.2
217.05006	6.2
227.08168	39.1
227.12720	37.4
227.17818	5.8
245.08200	21.6
245.09508	18.6
245.15424	34.7
245.18988	19.7
245.22902	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	246.17
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	9.6
62.11264	7.9
67.05515	18.8
69.07104	8.8
69.89037	8.1
70.06573	13.2
71.08633	11.4
71.30933	14.3
75.38475	8.6
81.07051	16.1
88.07654	15.5
91.05467	16.0
93.07042	15.3
95.08636	24.9
105.07061	14.6
107.08655	12.8
109.10156	100.0
119.08524	12.7
123.11732	10.4
127.11196	35.0
137.09573	10.3
147.04433	29.2
173.13156	8.9
173.95107	8.2
179.10616	20.5
188.93204	10.9
197.11743	46.8
201.12582	10.0
231.16103	11.2
246.11340	22.8
246.15935	13.1
246.18335	43.2
246.24335	23.4
247.16893	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	247.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.05511	9.7
64.17928	0.3
65.03934	0.7
69.01714	2.4
81.03423	0.4
83.04978	23.7
91.05477	12.2
93.07059	0.3
107.04959	1.0
119.04940	30.1
120.05301	0.3
124.02353	0.3
145.06435	0.5
147.04402	100.0
148.04771	1.8
165.05469	3.7
201.12851	0.4
230.06183	0.3
247.09648	3.1
249.66576	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52376	2.0
53.03946	5.9
55.01871	9.9
55.05515	9.9
56.96569	2.3
57.03435	10.9
57.07085	4.5
61.02926	13.5
65.03936	2.6
67.05499	13.2
68.99824	2.0
69.03429	54.1
69.07070	4.0
70.32623	2.4
70.32954	5.2
71.01372	4.8
71.04995	7.5
72.08147	13.3
73.02921	8.2
79.05491	11.3
81.03413	23.2
81.07062	17.1
83.04983	23.9
84.04511	9.1
85.02908	100.0
85.06544	65.0
85.86355	2.4
87.04485	4.4
91.03960	5.3
91.05486	12.3
93.07057	9.7
95.04971	15.3
95.08617	7.5
97.02898	22.9
97.06516	11.7
98.97579	11.3
99.04472	9.3
100.07602	3.5
101.07962	3.5
103.03969	5.2
105.07059	7.4
107.04959	6.9
107.08565	2.3
109.02913	9.7
109.06535	9.7
111.04457	5.2
113.05989	12.8
115.03959	4.2
116.98598	2.7
117.07034	4.7
118.08661	5.8
119.08617	5.1
121.06538	8.5
123.04445	2.5
123.08092	6.9
125.06017	7.3
127.03922	24.1
127.07638	2.4
133.06483	5.0
135.08057	5.1
136.06180	7.3
137.06001	3.1
139.07515	3.3
145.04961	19.5
147.08069	6.2
149.05956	2.7
151.07596	8.6
157.08604	2.3
158.99637	2.5
162.05479	3.9
163.07561	10.1
165.09128	3.6
169.08620	7.8
175.07520	2.3
181.08568	10.6
190.05032	6.9
193.08723	4.9
211.09599	3.9
247.18660	5.2
248.11417	5.4
259.78552	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	247.133
Annotation	CHEBI:67421
Peak:m/z	Relative Intensity
53.03943	2.3
55.05512	60.2
59.25320	1.2
67.05502	5.1
69.07079	3.2
69.31896	1.2
69.85672	1.1
71.30051	1.9
75.25660	1.0
78.51746	1.2
79.05491	7.1
81.07042	5.4
83.04984	100.0
91.05482	12.7
93.07046	9.9
95.04967	2.6
95.08626	3.5
101.06020	1.8
104.99286	2.4
105.07015	6.5
107.04974	1.9
107.08606	4.4
108.33115	1.1
109.06518	2.3
115.05515	1.2
116.21834	1.2
117.07035	3.2
117.55809	1.0
119.08587	20.9
121.06521	1.7
121.10162	4.3
123.08073	1.4
129.06998	2.0
131.08578	2.5
132.05763	2.9
133.10129	3.4
135.08072	1.9
135.11681	3.1
145.10147	3.3
147.04381	2.4
147.08054	44.5
147.11662	2.5
149.13280	1.5
159.08138	1.3
159.11757	2.1
187.14996	1.2
229.15950	2.0
247.11078	1.4
247.13321	3.5
247.16943	12.7
247.20740	6.8
247.72336	1.2
248.20081	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1329
Annotation	[3aR-(3aalpha,4aalpha,6beta,8abeta,9aalpha)]-3a,4,4a,5,6,8a,9,9a-Octahydro-6-hydroxy-8a-methyl-3,5-bis(methylene)naphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
52.03895	1.3
53.03931	4.4
53.25064	1.2
55.01862	4.5
55.05272	1.6
55.05510	17.5
56.65766	1.2
57.03428	2.2
57.07051	1.4
58.29974	1.2
59.45531	1.2
65.03926	6.0
65.79824	1.3
67.05181	1.8
67.05507	24.3
69.03426	27.7
69.07056	4.6
69.26467	10.3
71.04985	3.6
79.05492	20.4
81.03411	1.7
81.07056	13.4
83.04982	34.8
83.08627	1.7
84.08135	1.4
85.02902	5.4
85.06532	1.7
86.09698	1.8
91.05481	35.1
93.07044	24.0
95.04968	41.3
95.08609	13.0
97.02900	2.3
97.06528	10.2
98.23328	3.0
99.04461	2.5
103.05430	5.2
105.04551	1.5
105.07033	71.3
106.06534	1.4
107.04958	7.8
107.08601	17.6
109.02863	4.1
109.06520	24.2
109.10129	4.1
111.04420	10.0
111.08088	1.9
111.82514	1.3
112.82083	1.3
113.06036	1.8
115.05460	9.8
116.06196	4.0
117.07038	17.1
119.04957	18.3
119.08580	46.3
121.02834	2.0
121.06506	23.9
121.10169	8.9
123.04423	5.6
123.08072	33.7
124.07610	1.6
125.06008	2.9
128.06233	9.7
129.07001	14.6
130.07774	5.7
131.04922	3.4
131.08568	30.1
133.06477	9.7
133.10126	14.7
135.08064	12.7
137.05948	3.9
137.09610	4.1
139.07513	2.2
139.40547	1.4
141.06981	9.3
142.07771	17.5
143.08557	22.9
144.05679	3.3
144.08173	1.7
144.09294	9.3
145.06490	15.0
145.10109	29.3
146.07240	4.1
147.04407	66.6
147.08037	23.8
147.11668	8.1
148.08812	3.3
149.05937	5.9
149.09615	8.3
150.10387	1.9
151.07521	4.2
153.06947	5.0
154.07776	3.5
155.04915	2.1
155.08514	10.5
156.09315	14.9
157.06454	4.2
157.08907	2.0
157.10133	25.8
158.07268	12.0
158.10886	4.2
159.04350	2.4
159.08049	25.6
159.11688	28.4
160.08777	6.7
161.05965	3.9
161.09631	20.8
163.03891	6.0
163.07521	3.7
163.11263	1.7
165.05547	2.9
165.06914	2.3
165.09134	17.7
167.08514	1.7
168.09346	9.7
169.10063	3.8
170.07281	1.5
171.08086	7.6
171.11705	12.9
172.08833	15.0
173.05959	10.1
173.09613	20.2
173.13248	21.7
174.06752	3.1
175.07516	5.6
175.11182	16.9
177.09023	1.8
177.12741	2.8
177.14226	1.3
178.07643	1.3
181.06459	3.4
181.10089	2.2
183.08067	3.0
183.11688	13.7
185.09692	6.5
186.10405	4.6
186.14850	4.1
187.07536	3.1
187.11171	29.7
188.07007	2.0
189.09108	16.8
189.12708	2.5
193.10109	4.2
196.08852	8.9
199.11174	31.5
201.05455	4.2
201.09123	2.2
201.12720	28.6
203.10655	13.2
205.05037	2.4
205.12189	4.7
211.11208	16.4
217.12233	18.9
219.13785	9.8
229.04964	4.4
229.09911	1.7
229.12170	27.6
247.05991	4.3
247.13268	100.0
248.13531	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1329
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03930	4.0
55.01854	1.5
55.05510	7.1
57.07059	2.0
65.03939	5.1
67.05486	5.2
69.03096	1.9
69.03431	21.9
69.07064	2.6
70.42847	1.8
70.43176	2.2
73.12259	1.3
79.05494	10.3
81.03394	1.5
81.07057	10.1
83.04982	27.6
91.05474	21.0
93.03402	4.9
93.07028	13.4
95.04953	4.7
95.08577	3.6
96.98313	1.4
97.01004	1.2
97.02879	7.9
97.06509	1.8
105.07024	15.8
107.04951	3.0
107.08602	13.8
108.55935	1.2
109.02881	12.0
109.06503	11.0
109.10136	3.1
111.04418	6.6
111.08020	2.2
115.05408	2.6
116.06245	1.4
117.06992	13.9
117.07612	1.3
119.04929	5.0
119.08582	20.7
121.02841	4.2
121.06508	16.8
121.10133	6.3
123.08055	3.9
128.06192	5.3
129.06944	7.0
130.07825	2.0
131.08571	21.1
132.05682	3.5
133.06447	2.2
133.10130	10.8
135.04356	1.5
135.07251	1.4
135.08052	33.0
135.09073	1.8
137.05939	4.5
137.09615	3.9
137.18233	1.2
139.07553	1.3
141.06960	3.1
142.07771	3.7
143.08548	13.7
144.09334	8.6
145.06471	15.3
145.10149	12.0
146.07230	1.9
147.04395	15.2
147.08009	5.7
147.11722	1.8
149.05984	2.3
149.09613	24.4
150.10326	2.8
150.32855	1.2
151.07484	1.8
151.11157	3.2
153.07005	3.1
153.09052	1.9
155.08539	5.3
156.09253	1.6
157.06496	2.5
157.10109	3.7
158.07248	2.5
158.10922	11.8
159.08054	12.5
159.11685	29.0
160.08830	6.7
161.09558	4.3
163.03886	1.4
163.07542	21.6
163.11133	4.0
165.09094	1.7
165.23648	1.4
168.09349	5.1
168.29124	1.2
169.10095	5.0
170.10941	6.1
171.08005	8.5
171.11667	1.4
172.08820	18.7
173.05983	1.9
173.08232	2.5
173.09628	33.4
173.11906	2.3
173.13260	33.0
175.07538	1.7
181.06491	2.6
183.11723	9.7
185.09601	2.6
185.13246	2.0
185.35120	1.2
186.10387	24.2
187.07686	3.4
187.11171	100.0
188.11560	3.7
189.09000	2.2
191.07022	46.3
193.10034	2.3
196.08789	5.6
199.07591	2.0
201.12741	55.3
203.14281	1.9
205.12228	7.0
211.11156	11.4
214.09859	3.9
219.13777	4.6
229.12222	62.3
230.12492	2.4
247.07652	2.3
247.13269	83.3
247.17029	5.7
248.13533	2.8
248.20110	2.6
262.79651	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1328
Annotation	Parishin B
Peak:m/z	Relative Intensity
51.76857	1.8
53.03936	3.8
55.01877	2.1
55.05502	8.0
57.07076	3.6
65.03928	2.3
67.05502	7.6
68.99742	1.9
69.03423	21.7
69.07047	2.4
70.36742	3.2
70.37074	3.2
71.12469	1.8
79.05491	11.1
81.07039	12.3
83.04979	23.4
83.84785	1.8
91.05470	22.0
93.03381	4.4
93.07040	12.9
95.04955	4.3
95.08595	6.6
97.02876	6.1
97.06499	2.1
105.07020	13.0
107.04955	2.5
107.08084	1.6
107.08600	17.0
107.20863	1.8
109.02871	8.8
109.06503	10.6
109.10078	2.5
111.04440	5.0
115.05453	4.5
117.07012	12.2
119.04918	5.6
119.08578	19.4
121.02840	4.1
121.06490	14.3
121.10108	6.1
123.08051	3.5
123.11719	3.2
125.06078	2.1
128.06219	2.5
129.06989	6.4
130.07771	1.9
131.04953	1.8
131.08568	19.3
132.05727	3.8
133.06392	2.0
133.10135	10.6
135.08055	27.9
135.11652	3.3
137.05980	5.7
137.09602	3.1
141.06995	3.4
142.07794	2.5
143.08522	10.1
144.09325	8.6
145.06474	13.0
145.10132	14.1
147.04388	19.0
147.08017	6.6
149.05922	2.5
149.09598	21.5
150.10349	3.9
151.11151	4.0
153.07008	3.0
153.09047	2.2
155.08521	4.5
157.10094	3.2
158.07236	3.7
158.10893	8.1
159.08070	12.5
159.11682	26.1
160.08791	6.4
161.09592	5.5
161.13263	3.7
163.03990	3.9
163.07513	21.5
163.11154	4.3
168.09303	5.6
169.10077	5.3
170.10878	5.3
171.08005	7.0
172.08820	19.0
173.09619	27.9
173.11902	2.5
173.13255	29.5
174.10376	2.3
181.06480	2.3
183.11659	10.1
185.13274	3.3
186.10388	22.7
187.11165	100.0
187.14766	3.6
189.09050	2.4
191.07022	48.0
193.10065	2.0
196.08809	5.5
199.07468	2.2
201.08824	2.0
201.12726	50.2
203.14290	2.9
205.08525	2.1
205.12296	4.0
211.11201	9.0
214.09792	2.5
219.13756	4.7
228.12895	1.9
229.12221	59.7
229.15759	3.3
247.09509	3.7
247.13269	87.7
247.16743	9.5
247.20428	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	247.133
Annotation	CHEBI:67421
Peak:m/z	Relative Intensity
52.91377	1.6
53.03937	4.6
55.05515	77.0
57.07077	8.7
57.68185	1.8
58.07391	2.5
67.05495	3.6
69.07038	1.9
70.06595	11.7
71.29678	1.5
71.30083	2.0
73.75647	1.5
79.05482	7.4
80.02536	1.5
81.07053	6.8
83.04982	100.0
83.08635	1.6
85.51389	1.8
88.07627	17.3
89.07944	2.8
91.05487	9.6
93.07027	8.1
94.38408	1.8
95.04990	1.8
95.08595	6.4
101.06008	2.0
102.09190	5.1
105.07017	8.9
106.08694	7.8
107.04931	4.9
107.08594	6.4
109.06484	2.0
113.11484	1.4
117.07026	5.7
119.08591	25.6
121.06483	3.9
121.10136	2.6
123.11807	1.5
129.06999	5.4
131.08566	6.0
133.10127	4.4
135.07980	1.7
137.09618	1.7
141.07010	1.8
145.10106	6.8
147.04384	2.8
147.08044	30.1
147.11678	3.8
149.09578	1.8
156.09381	2.7
157.10109	2.7
159.11728	5.4
161.09621	1.8
161.13295	1.9
171.11644	2.6
173.09691	1.8
183.11740	2.4
184.20581	1.6
187.11160	2.7
187.14784	2.9
189.12820	2.5
201.16403	2.2
205.15843	1.6
224.01363	1.6
228.23184	2.5
229.15802	8.4
229.23531	3.5
246.24266	33.6
247.11020	2.6
247.13113	2.3
247.16895	19.6
247.24625	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1692
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03946	2.5
55.01868	5.5
55.05511	12.3
56.30185	1.1
57.03431	3.2
57.07069	1.7
57.35093	1.1
62.69362	0.9
65.03931	4.0
67.05505	18.7
68.05801	1.3
69.03417	1.7
69.06731	1.2
69.07071	11.1
71.01334	3.0
71.04977	5.0
79.05495	33.4
81.03427	6.8
81.06585	2.1
81.07057	37.4
83.04996	6.1
83.08598	5.5
85.06528	3.0
91.05480	39.0
93.03386	2.3
93.07045	28.1
95.04985	6.8
95.08610	17.6
97.06531	4.2
97.10185	1.7
99.08081	2.3
103.05443	2.1
105.07029	42.5
107.04956	7.4
107.08592	20.5
107.56647	1.1
109.06505	16.0
109.10164	5.8
111.08079	3.6
115.05435	3.4
116.06259	1.2
117.07022	22.6
119.04932	2.3
119.08583	33.4
121.02868	27.8
121.06491	7.2
121.10146	22.3
122.03191	1.1
123.08084	5.7
123.11646	1.5
125.09644	1.2
127.03951	2.4
128.06227	2.5
129.07001	5.0
130.07704	1.7
131.04919	1.9
131.08566	27.0
133.06479	4.5
133.10133	21.9
135.08061	14.6
135.11664	4.1
137.05972	1.6
137.09612	7.2
139.07520	2.1
141.06976	3.6
143.08583	7.4
144.09337	1.4
145.06483	4.0
145.10129	25.5
146.10643	1.3
147.04428	2.3
147.08049	3.5
147.11681	7.9
149.09613	14.4
151.11191	3.1
153.05457	1.9
155.08556	3.7
157.10103	5.9
159.08101	3.0
159.11719	12.9
161.09599	4.0
161.13245	1.8
163.07533	1.7
163.11174	6.6
165.09099	1.1
168.84045	1.0
169.10114	6.8
171.11693	2.6
173.09587	6.3
173.13260	5.6
177.09085	2.8
183.11682	4.4
185.13260	5.1
187.11194	5.7
187.14769	13.3
191.10631	1.8
201.12709	3.1
201.16371	11.7
203.14291	2.0
205.15836	1.1
211.14851	8.4
219.13800	1.4
219.17522	2.5
229.12283	2.9
229.15848	21.4
247.13338	8.4
247.16931	100.0
247.20789	2.8
247.24428	7.6
248.17247	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.4
55.01865	12.1
55.05507	5.1
56.58465	5.4
57.03430	18.9
61.02933	8.6
67.05477	5.7
68.02216	3.8
68.99800	4.8
69.03430	88.5
69.07079	6.7
69.19787	27.2
69.72404	3.5
71.04992	7.5
73.02916	8.6
79.05489	10.2
81.03413	37.9
81.07043	11.0
83.04988	8.3
85.02428	8.7
85.02909	100.0
87.00828	68.2
91.05487	12.7
93.07034	7.4
95.04978	6.7
95.08603	9.5
97.02899	45.2
97.06511	5.8
99.04449	27.4
101.04953	4.9
105.01859	23.2
105.07022	17.3
106.86971	3.9
107.08591	14.7
109.02872	40.5
109.10152	6.9
117.06995	5.1
117.32394	4.1
119.04831	4.2
119.08582	19.9
121.06469	6.8
121.10113	8.8
123.08079	4.7
127.03906	51.7
129.07004	6.6
131.08563	5.1
133.10106	8.6
135.08012	4.9
143.08533	4.7
145.04964	7.2
145.10095	9.6
147.04355	6.2
147.08022	17.1
147.11697	5.5
149.09625	8.4
150.88806	4.2
152.45320	4.6
157.10135	6.6
159.02965	4.3
159.11725	6.0
161.09634	5.4
161.13249	5.4
175.07550	5.0
178.34648	4.0
185.13106	7.4
189.09129	10.8
189.12724	6.9
203.14232	7.2
213.12560	8.5
216.10854	4.0
223.59355	4.2
231.13824	16.6
249.11124	5.4
249.14845	31.7
249.18639	9.1
267.65500	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	249.1484
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5,8a-dimethyl-3-methylene-naphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03938	5.6
55.01874	2.9
55.05516	6.6
57.03444	1.2
57.07074	6.1
59.04990	2.9
65.03938	2.1
67.05491	7.9
69.03429	100.0
69.07057	2.7
71.04986	3.3
71.29795	1.4
79.05477	9.4
80.58597	1.1
81.03426	2.2
81.07049	8.6
83.04966	5.7
83.08615	2.5
85.02898	5.2
85.06519	1.9
87.00829	2.0
87.04466	1.4
89.84026	1.2
91.05468	18.6
93.07043	14.8
95.04971	14.4
95.08605	7.8
97.02904	3.1
97.06480	1.8
99.04436	2.4
103.05473	1.4
105.07032	19.3
107.04929	3.8
107.08601	12.0
109.02882	23.5
109.06516	9.2
109.10143	4.2
111.04451	6.3
111.08086	4.8
111.37796	1.3
113.02295	1.4
115.05451	1.9
117.07001	6.7
119.04918	4.8
119.08577	35.3
120.08099	3.5
121.06502	11.6
121.10149	11.4
123.04412	3.9
123.08105	11.4
125.09675	2.1
127.03883	2.5
128.06221	3.0
129.06999	5.0
130.06625	1.3
130.07637	1.8
131.08557	4.3
133.06548	7.1
133.10141	8.6
135.08011	7.1
135.11719	2.1
136.06181	3.5
137.05931	5.8
137.09625	3.8
139.03891	2.7
141.06979	1.6
142.07745	2.8
143.08563	6.8
145.06453	2.3
145.10117	12.3
146.06010	2.7
147.04393	12.2
147.08029	24.6
147.11662	3.6
149.05971	8.8
149.09579	6.7
151.07524	11.5
152.05664	4.0
153.09087	1.7
155.08580	1.4
156.09323	2.0
157.10144	6.3
159.11670	3.8
160.08788	1.4
161.09610	9.9
161.13251	3.8
163.07532	3.6
163.11171	12.9
165.06993	3.7
165.09096	5.2
165.26860	1.3
165.58525	1.4
170.10910	4.0
171.08020	2.5
171.11639	4.6
173.09523	2.9
173.10866	3.1
174.11539	18.6
175.07558	16.2
175.11026	1.7
175.12451	2.4
175.14737	3.1
179.07045	2.2
180.09293	2.3
185.09706	1.7
185.13232	9.9
185.99861	1.4
187.14836	2.2
188.13109	1.6
189.09050	5.2
189.12779	8.0
191.10674	4.9
193.08606	51.0
195.11705	8.0
198.10393	3.9
203.15559	21.3
204.15826	1.4
205.12318	2.0
206.10564	2.5
207.13756	1.8
213.12724	24.9
221.15437	1.5
231.13838	15.3
249.05423	1.6
249.09116	4.9
249.15121	43.6
250.12929	5.3
250.15186	2.2
255.75238	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1486
Annotation	[R-(E)]-6-(4-Formyl-3-cyclohexen-1-yl)-2-methyl-2,6-heptadienoic acid
Peak:m/z	Relative Intensity
53.03939	8.9
55.01851	1.9
55.05502	9.2
57.07077	4.6
65.03919	4.4
67.01875	2.4
67.05506	22.3
69.03429	45.1
69.07063	2.6
70.61581	3.9
71.04980	1.7
75.76066	1.6
79.05488	17.3
81.03390	2.9
81.07053	38.5
83.04983	24.6
83.08607	4.0
91.05478	43.0
93.07039	46.5
95.04964	19.4
95.08608	20.4
97.03954	1.8
97.06539	2.5
105.07024	22.2
107.04933	3.4
107.08598	21.2
109.02877	7.3
109.06514	20.0
109.10150	5.6
110.07260	8.5
111.04426	5.1
111.08057	13.4
116.53148	1.5
117.07008	6.1
119.04935	14.1
119.08575	55.2
121.06514	12.8
121.10118	6.4
122.07266	4.1
123.08095	2.5
125.09641	2.4
128.06154	1.9
129.07019	4.1
130.07686	1.8
131.08577	4.7
133.06496	10.5
133.10110	11.1
135.08052	12.7
135.11707	1.9
137.05977	11.0
137.09637	12.7
139.07481	2.7
143.08560	3.8
145.10103	7.7
147.04349	3.6
147.08037	100.0
147.11674	6.8
149.09610	4.4
151.07509	2.4
156.09299	1.8
157.10115	3.9
159.11687	3.0
161.05998	4.3
161.09618	8.9
161.13243	12.4
163.11217	2.9
165.05486	30.2
170.10854	4.1
171.11659	6.1
173.09592	2.3
175.07533	8.8
175.14833	6.7
179.06982	6.3
185.13185	4.9
189.12781	11.6
198.10359	1.9
203.14313	10.8
213.12679	5.7
231.13756	14.1
249.14844	67.2
250.15155	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1486
Annotation	CHEBI:67422
Peak:m/z	Relative Intensity
53.03942	1.8
55.01884	0.8
55.05523	4.8
55.61207	0.7
57.03440	0.8
57.07063	2.3
65.03944	2.4
67.01868	7.6
67.05505	17.8
69.03432	14.1
69.07071	4.6
70.62914	1.5
71.04984	1.9
79.05490	9.3
79.16534	0.6
81.03418	1.3
81.07059	11.3
83.04991	7.1
83.08611	2.6
85.02918	0.9
85.06554	1.0
89.55317	0.6
91.05479	26.0
93.07046	12.1
94.42446	0.7
95.04967	21.3
95.08606	7.7
96.05309	0.6
97.06535	1.4
99.04465	0.8
99.08114	0.6
103.05434	1.0
105.04515	1.1
105.07034	12.0
107.04943	1.7
107.08607	9.7
109.02860	4.8
109.06511	3.4
109.10150	5.2
110.07275	1.4
111.04465	4.3
111.08089	2.1
115.05494	0.8
116.06236	2.5
117.07014	6.5
119.04931	2.6
119.08582	36.0
120.08933	0.9
121.06499	6.2
121.10133	6.0
122.07264	0.9
123.08081	1.7
125.09623	1.1
128.06224	1.0
129.06985	4.9
130.07816	0.7
131.08562	4.7
132.05721	1.3
133.06464	2.8
133.10124	7.1
135.08055	7.6
135.11673	2.8
137.05965	2.8
137.09621	6.1
142.07788	0.8
143.08539	2.7
145.10127	3.0
146.07262	1.0
147.08044	100.0
147.11647	3.4
148.08382	1.7
149.09619	4.2
149.13268	0.8
151.07527	0.9
151.11163	1.0
156.09351	1.4
157.10136	2.8
159.11719	1.8
161.05972	2.3
161.09631	5.8
161.13287	4.3
163.11189	1.3
165.05515	1.0
165.07031	1.0
165.09134	2.0
170.10957	1.8
171.08049	1.1
171.11678	4.0
175.07555	16.8
175.11172	0.8
175.14830	2.3
183.08063	0.9
185.09653	0.9
185.13272	4.2
187.11182	0.7
187.14793	0.8
189.09149	2.4
189.12727	9.1
189.16393	1.8
193.08496	0.8
195.11708	0.8
198.10527	0.8
203.14319	5.3
207.13849	0.8
213.12709	6.8
213.16348	1.0
221.06064	0.6
231.13795	19.5
231.17435	1.6
232.13924	0.9
249.14886	9.7
249.18434	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	249.1851
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
53.03942	6.0
54.61885	2.9
55.05513	24.7
59.05003	3.4
67.05507	35.4
68.20992	2.9
69.07068	21.0
71.04993	4.9
79.05492	80.0
81.03386	4.1
81.07057	47.8
83.04993	5.1
83.08622	10.0
85.06558	4.3
91.05482	43.3
93.07046	100.0
95.04961	8.8
95.08614	36.0
97.06525	5.7
98.22556	7.2
105.04512	4.1
105.07039	33.6
107.04964	5.1
107.08594	57.6
109.06542	3.1
109.10151	10.7
117.07043	10.6
119.08572	27.9
121.06528	4.1
121.10149	48.4
123.08093	4.0
129.07016	6.5
131.08588	13.8
133.10114	31.9
135.08163	4.0
135.11682	38.6
137.09689	5.0
143.08604	5.9
145.10146	10.8
147.08157	3.2
147.11684	30.3
149.09641	6.6
149.13290	12.5
153.09123	4.0
157.10107	9.0
159.11768	3.3
161.09615	10.2
161.13283	5.5
163.11200	3.0
165.12724	3.5
171.11726	7.9
173.13312	3.8
175.11165	8.2
189.12772	5.3
189.16365	9.0
193.12245	7.1
203.14331	4.7
207.13780	4.7
213.16360	5.4
231.17490	13.0
234.13802	4.3
249.14780	12.7
249.18536	69.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
55.05510	0.6
57.03420	1.1
61.02926	1.1
69.03422	3.0
69.85179	2.0
70.06595	2.4
76.97809	0.4
77.51363	0.5
81.03415	1.3
83.58201	0.4
85.02906	22.0
85.44033	0.5
86.03228	0.4
88.07630	100.0
89.07973	1.5
95.04971	0.4
97.02891	2.8
98.98467	16.3
99.04460	0.9
109.02875	2.3
127.03909	3.7
136.06194	7.2
145.04973	1.1
156.59499	0.4
186.06686	0.4
250.12923	4.0
264.83115	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1641
Annotation	Deodardione
Peak:m/z	Relative Intensity
53.03948	1.2
55.01872	1.6
55.05511	11.7
55.99971	0.5
57.03426	0.9
57.07076	2.0
65.03941	1.8
67.05141	0.8
67.05505	25.0
69.03426	8.8
69.07066	81.1
70.07424	0.6
70.56265	1.6
71.04981	4.2
79.05495	10.2
81.07059	20.3
83.04977	5.1
83.08607	3.3
85.06535	2.4
91.05471	6.8
93.03397	0.7
93.07046	15.2
95.04967	21.1
95.07987	0.6
95.08606	18.7
97.02888	100.0
97.06524	4.2
97.10165	1.4
98.03201	0.7
98.98464	35.2
99.04458	0.8
99.08095	0.8
105.04572	0.7
105.07026	7.7
107.04940	0.7
107.08591	13.6
109.02867	0.7
109.06503	2.1
109.10149	10.1
110.10458	0.7
111.04438	33.8
111.08074	2.0
111.11714	18.6
113.05993	1.8
115.05492	0.5
116.99515	0.9
117.07018	2.4
119.08580	5.5
121.06516	2.5
121.10132	10.2
123.08058	2.5
123.11705	11.9
125.06035	0.7
125.09617	1.1
127.07497	0.6
129.06949	0.9
131.08540	4.0
133.10112	5.0
135.08057	3.5
135.11690	14.7
137.05962	0.9
137.09604	3.0
137.13235	1.8
139.03874	1.9
139.07497	1.0
139.11180	10.2
141.12756	4.3
144.25671	0.5
145.10120	5.1
147.08020	1.2
147.11697	2.6
149.09576	3.4
149.13231	3.1
151.07523	0.8
151.11194	1.3
153.09096	9.2
155.06989	2.2
155.10583	0.5
157.04964	22.4
157.10147	0.7
159.08031	0.9
159.11662	2.6
161.09546	0.7
161.13324	1.0
163.11147	2.3
163.14859	1.1
165.12677	0.8
167.10645	0.9
169.08591	2.0
173.09581	2.0
173.13254	1.7
174.99208	1.3
175.11171	1.6
175.14761	0.6
177.12761	1.1
181.12215	0.8
183.10202	4.5
187.14816	3.8
189.16479	0.7
191.10599	1.0
191.14296	2.2
191.17943	3.0
193.12222	1.2
205.15904	1.4
205.19453	0.6
209.15242	1.4
215.14305	3.0
215.18022	3.6
233.15344	5.7
233.18993	4.2
251.06819	0.7
251.10539	1.1
251.16364	15.3
251.19998	9.1
252.16628	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.2
55.01872	1.6
55.05511	11.7
55.99971	0.5
57.03426	0.9
57.07076	2.0
65.03941	1.8
67.05141	0.8
67.05505	25.0
69.03426	8.8
69.07066	81.1
70.07424	0.6
70.56265	1.6
71.04981	4.2
79.05495	10.2
81.07059	20.3
83.04977	5.1
83.08607	3.3
85.06535	2.4
91.05471	6.8
93.03397	0.7
93.07046	15.2
95.04967	21.1
95.07987	0.6
95.08606	18.7
97.02888	100.0
97.06524	4.2
97.10165	1.4
98.03201	0.7
98.98464	35.2
99.04458	0.8
99.08095	0.8
105.04572	0.7
105.07026	7.7
107.04940	0.7
107.08591	13.6
109.02867	0.7
109.06503	2.1
109.10149	10.1
110.10458	0.7
111.04438	33.8
111.08074	2.0
111.11714	18.6
113.05993	1.8
115.05492	0.5
116.99515	0.9
117.07018	2.4
119.08580	5.5
121.06516	2.5
121.10132	10.2
123.08058	2.5
123.11705	11.9
125.06035	0.7
125.09617	1.1
127.07497	0.6
129.06949	0.9
131.08540	4.0
133.10112	5.0
135.08057	3.5
135.11690	14.7
137.05962	0.9
137.09604	3.0
137.13235	1.8
139.03874	1.9
139.07497	1.0
139.11180	10.2
141.12756	4.3
144.25671	0.5
145.10120	5.1
147.08020	1.2
147.11697	2.6
149.09576	3.4
149.13231	3.1
151.07523	0.8
151.11194	1.3
153.09096	9.2
155.06989	2.2
155.10583	0.5
157.04964	22.4
157.10147	0.7
159.08031	0.9
159.11662	2.6
161.09546	0.7
161.13324	1.0
163.11147	2.3
163.14859	1.1
165.12677	0.8
167.10645	0.9
169.08591	2.0
173.09581	2.0
173.13254	1.7
174.99208	1.3
175.11171	1.6
175.14761	0.6
177.12761	1.1
181.12215	0.8
183.10202	4.5
187.14816	3.8
189.16479	0.7
191.10599	1.0
191.14296	2.2
191.17943	3.0
193.12222	1.2
205.15904	1.4
205.19453	0.6
209.15242	1.4
215.14305	3.0
215.18022	3.6
233.15344	5.7
233.18993	4.2
251.06819	0.7
251.10539	1.1
251.16364	15.3
251.19998	9.1
252.16628	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1643
Annotation	[1S-(1alpha,4alpha,4aalpha,8aalpha)]-1,3,4,4a,5,8a-Hexahydro-1-hydroxy-4,7-dimethyl-1-(1-methylethyl)-2,6-naphthalenedione
Peak:m/z	Relative Intensity
52.64645	1.2
53.03945	2.5
55.01865	1.2
55.05513	59.2
67.05495	3.1
69.03422	4.3
69.07051	2.9
69.30108	7.4
71.05002	1.5
73.06527	1.5
79.05486	6.8
80.05007	1.3
81.03426	1.3
81.07048	6.7
83.04986	14.2
91.05482	11.1
93.07041	8.5
95.04971	16.3
95.08592	3.0
97.06548	7.5
98.98464	15.4
105.07025	10.1
107.08605	17.7
109.06492	8.4
109.10166	2.9
117.06966	1.8
119.08575	8.6
121.06521	2.9
121.10146	6.4
123.04516	1.4
123.08057	4.6
125.05994	20.2
131.08568	5.9
133.10143	7.5
135.07089	1.8
135.08055	25.3
135.11653	1.2
136.08792	1.4
137.05963	3.5
137.09584	3.4
143.08546	2.9
145.10117	4.4
147.11685	2.3
149.09628	66.1
150.10010	1.2
151.07545	1.7
151.11157	3.6
159.08025	2.3
159.11607	1.1
161.09627	11.7
161.13187	1.1
163.07613	1.2
163.11211	2.3
173.13297	3.3
175.11125	1.6
177.09096	2.8
179.10677	78.4
180.10974	2.2
187.14771	2.1
191.14372	2.1
197.11615	1.1
204.73364	1.0
205.15881	1.9
215.14297	6.2
221.15225	1.1
233.15372	11.8
239.84735	1.1
251.16428	100.0
252.16829	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	252.0203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91397	0.6
55.87472	0.3
56.96558	1.1
69.83762	0.3
70.51709	0.5
70.52062	0.6
81.77126	0.3
98.97592	3.3
98.98468	5.3
101.00903	1.7
110.01774	0.3
116.98625	3.2
118.03447	0.3
119.01934	5.1
122.97821	0.4
134.99805	3.0
137.02954	0.9
140.98839	2.0
153.00883	0.8
158.99896	7.6
161.01511	0.6
176.55560	0.3
177.00961	59.7
178.01065	3.4
178.53012	0.3
179.01443	0.3
185.01436	1.2
195.02013	0.8
200.02486	0.6
201.00977	1.0
203.02525	26.6
204.02686	1.8
205.00470	0.9
210.99335	1.6
219.02013	10.7
220.02113	0.8
226.04202	0.4
229.00426	9.3
230.00604	0.6
247.01512	100.0
248.01669	6.1
261.03046	0.9
262.03189	0.3
270.03033	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
55.05492	3.0
56.96568	7.3
57.03434	1.9
57.07054	1.4
59.04996	4.5
61.02929	6.4
63.69787	0.7
65.00636	0.9
67.05486	1.7
69.03440	1.7
69.07053	1.2
70.06589	4.1
70.69878	1.8
70.70198	1.0
71.04993	13.9
71.69302	0.8
73.06561	4.8
73.97810	0.9
78.03453	1.4
79.05464	3.3
80.05015	6.9
81.03397	2.8
81.04524	1.9
81.07059	24.4
85.02874	2.1
85.06494	0.9
86.06104	0.8
87.08062	2.2
93.07035	1.1
95.04953	0.8
95.06057	1.4
95.08582	0.8
96.04492	5.3
97.02872	2.1
98.98468	97.1
99.08080	2.3
103.82477	0.9
106.02934	7.3
108.04467	7.1
109.02850	1.8
109.10126	1.1
110.07145	1.3
113.09620	3.0
116.99482	2.4
122.06022	0.9
123.05553	100.0
125.02305	2.4
125.07091	0.9
133.06421	0.8
141.05415	0.8
147.04375	1.3
148.07622	1.7
149.10706	0.9
150.09146	3.9
152.03374	1.2
166.08595	1.4
170.12994	0.8
174.99207	0.9
176.98941	1.4
185.01164	1.2
187.02724	2.3
193.09711	3.4
194.08061	4.6
197.11681	1.3
205.03821	1.8
213.00604	1.4
221.12791	2.7
231.01712	4.3
245.66136	0.9
249.02763	3.4
253.07021	1.2
253.12811	6.6
253.15411	34.6
254.15742	1.4
259.68170	0.9
265.51929	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	0.8
53.03945	2.4
55.01870	9.2
55.05510	16.0
57.03437	19.3
57.07103	0.9
61.25369	0.8
65.03936	2.2
67.05132	1.8
67.05502	35.5
69.03425	3.4
69.07068	5.9
71.05009	3.7
71.30444	0.7
72.04526	2.6
79.05488	24.1
81.03416	14.3
81.07053	23.0
81.07528	1.4
83.04980	22.5
83.08619	4.5
84.04492	7.6
85.06544	3.7
91.05479	100.0
92.05814	2.2
92.88524	0.7
93.07043	10.8
95.04975	7.9
95.08598	8.5
97.02892	6.4
97.06527	4.1
98.98463	45.4
99.04494	1.2
100.10602	1.2
100.11246	17.5
101.06012	1.0
103.03961	1.7
105.07028	36.9
107.04957	8.8
107.08604	7.3
109.06528	3.0
109.10155	5.1
111.13329	0.7
113.06004	1.2
115.05520	1.2
116.99539	0.9
117.07030	8.0
119.08576	13.5
121.06537	1.0
121.10141	4.3
123.08082	1.7
123.11725	1.8
125.09657	1.1
128.06259	3.2
129.05530	1.4
131.08563	6.6
133.06494	1.7
133.10126	39.5
134.50061	0.8
135.08067	3.9
135.11682	1.5
135.27631	0.7
137.09598	1.8
143.08527	4.4
143.11850	1.0
145.10138	0.9
147.08032	1.2
147.11697	1.5
149.09624	7.5
151.11131	5.5
154.12239	7.6
161.09601	13.2
171.14923	16.0
179.10683	8.2
182.15434	2.9
183.10158	1.9
192.42708	0.9
197.11690	0.9
235.16924	1.6
253.08664	1.7
253.11838	1.8
253.14272	14.2
253.19176	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	253.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.9
55.01875	3.3
55.05507	9.7
55.29235	2.6
57.07084	4.4
59.04993	5.3
60.22749	2.5
65.31952	2.6
67.05518	17.6
69.03418	2.9
69.07071	11.0
71.05011	3.2
72.64061	2.4
76.03398	2.8
77.37969	2.8
78.20143	2.7
79.05498	22.4
81.07058	44.5
83.05000	4.1
83.08643	3.8
90.51881	2.6
91.05488	35.6
93.07047	25.9
95.04971	18.8
95.08600	18.9
97.06533	9.9
98.98470	77.3
105.07031	45.9
107.08595	16.8
109.06521	6.6
109.10133	12.5
115.05485	3.7
117.07014	8.4
118.89556	2.4
119.08588	30.7
121.06470	6.3
121.10175	7.1
128.06245	11.5
129.06981	14.4
130.07858	4.7
131.08588	28.7
133.10139	31.1
141.06995	7.8
142.07784	17.6
143.08595	22.5
144.09360	5.9
145.10126	37.8
147.08159	4.6
147.11691	6.7
153.06952	4.9
154.07811	7.9
155.08568	29.9
156.09326	8.7
157.10110	32.4
159.08105	8.6
159.11731	16.6
161.09615	3.5
165.06999	8.4
166.07806	5.1
167.08598	9.5
168.09363	7.9
168.72308	2.8
169.10149	38.7
170.10913	10.7
171.11687	14.3
173.09622	5.4
173.13266	7.9
178.07744	5.0
179.08583	11.5
180.09338	7.3
181.10101	21.6
182.10901	13.2
183.11684	32.6
185.13281	4.8
191.08643	3.4
193.10121	19.0
194.10909	9.2
195.11685	20.8
195.17398	5.3
196.12462	10.3
197.09633	5.9
197.13298	31.5
205.10178	10.7
206.10913	8.7
207.11728	8.8
209.13274	21.5
210.14061	9.4
211.11176	8.5
211.14806	19.1
220.12486	15.0
223.11078	3.0
223.14827	4.1
224.15616	4.4
225.16344	18.7
235.14822	22.7
238.13513	4.0
238.17233	5.6
253.11853	5.8
253.15909	97.6
253.19533	100.0
253.21660	9.0
254.16342	6.3
254.19504	2.6
254.24796	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	255.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80239	0.5
57.03428	0.4
67.05499	0.6
69.07060	0.7
69.49940	1.9
70.06586	0.9
71.04984	0.7
79.05497	1.4
80.04984	0.8
81.03383	0.7
81.07042	0.6
83.04966	0.4
84.04495	1.0
85.02890	0.8
91.05499	0.8
93.07046	1.0
94.02918	0.9
95.08624	1.0
96.04480	1.3
98.06090	0.8
98.22639	0.5
98.98474	4.7
103.46976	0.4
107.08587	0.9
111.22905	0.4
114.05511	0.5
117.07037	0.7
125.02406	0.5
126.05519	3.3
127.03904	1.0
127.11237	0.5
130.04999	0.5
130.79170	0.5
132.04459	0.5
133.10075	0.4
135.08003	0.7
137.05960	0.5
151.11169	0.5
153.09116	0.5
163.07471	0.6
164.07068	2.7
181.08571	0.8
210.07594	1.8
220.23070	0.4
255.08395	100.0
256.08762	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.0
55.01877	24.8
55.05508	4.3
57.03442	32.2
59.09703	0.7
63.04623	0.8
65.03920	1.9
67.05508	17.7
69.03423	1.9
69.07065	2.0
69.77999	2.7
69.78398	2.0
71.04988	1.0
76.23627	0.8
79.05497	65.6
81.03420	8.8
81.07065	7.0
83.01347	18.2
83.04970	3.3
83.08598	0.9
90.27113	0.8
91.05485	100.0
92.05814	1.1
93.07047	39.8
95.04961	4.5
95.08590	1.4
97.02890	1.1
97.06532	3.0
98.98446	3.8
105.03407	1.4
105.07032	5.2
107.04966	12.0
107.08599	42.5
109.06512	6.5
109.10054	1.2
111.04444	2.8
115.05463	13.9
117.07024	76.7
118.07349	1.2
119.06030	0.9
119.08574	5.4
120.39934	0.9
121.06515	1.8
121.10153	1.4
125.09601	1.7
129.06975	0.8
135.08060	93.0
135.11650	1.9
136.08441	1.6
137.05933	1.3
137.09624	2.1
145.06493	2.8
145.10091	1.9
153.09068	2.1
163.07559	10.8
173.09720	0.8
173.33205	0.9
181.08594	3.8
181.12125	1.0
184.05002	0.8
199.09593	2.4
242.99927	0.8
250.21388	1.0
255.09679	2.0
255.12265	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.5
53.03929	3.9
55.01598	1.5
55.01870	24.9
55.05500	3.4
57.03437	30.5
65.03925	2.7
67.05501	17.9
69.03419	2.7
70.67921	3.0
71.01329	1.0
71.04993	1.1
77.03915	1.2
79.05489	67.8
81.03416	9.7
81.07053	7.2
83.01345	18.3
83.04965	3.5
85.02882	4.6
91.05476	100.0
92.05795	1.7
93.07037	38.4
95.04961	5.4
95.08608	1.5
97.06519	2.9
98.98459	1.4
105.03400	1.6
105.04501	1.7
105.07057	4.9
107.04950	14.9
107.08590	46.2
107.13052	1.1
108.08868	1.4
109.06503	5.0
111.04432	4.0
111.08064	1.4
115.05447	13.1
117.07010	77.8
118.07304	1.2
119.03403	1.9
119.08573	6.7
121.06502	2.6
125.09634	6.1
135.08044	100.0
136.08424	1.6
137.05988	1.4
145.06465	3.7
151.77594	1.0
153.09111	8.9
163.07541	13.4
181.08565	7.9
199.09645	3.1
255.12268	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.01605	1.1
55.01871	24.5
55.05511	8.0
57.03160	2.1
57.03434	37.9
57.07061	3.2
58.06570	1.3
65.03933	2.6
67.05500	31.1
69.03422	2.5
69.07055	5.1
69.08286	8.9
70.06579	1.6
71.04986	3.5
77.03896	0.9
79.05489	72.1
81.03413	8.3
81.07056	13.7
81.72512	0.9
83.01336	18.7
83.04974	7.3
83.08628	2.3
85.02899	1.4
88.07625	3.8
90.31503	0.9
91.05476	100.0
92.05819	2.3
93.07040	46.2
95.04962	7.1
95.08610	3.5
97.06522	4.3
97.10149	3.1
98.98458	12.0
100.07573	2.1
102.09183	2.0
105.04497	2.1
105.07017	7.1
107.04951	12.4
107.08586	49.5
109.06498	5.4
109.10168	2.7
111.04454	2.3
111.08087	2.0
115.05453	14.5
116.36173	1.1
117.07011	79.9
118.07309	1.4
119.08569	8.5
121.06506	1.4
121.10123	1.7
125.09665	2.9
133.10182	1.0
135.08046	85.9
135.11653	16.0
137.05986	1.6
137.09605	1.3
143.08618	1.2
145.06450	3.0
145.10123	3.4
153.09117	4.6
163.07523	8.2
163.11174	2.0
170.89580	1.0
181.08499	4.8
181.12184	2.2
185.09641	1.2
196.90289	0.9
199.09650	3.2
238.18024	2.7
254.24808	2.0
255.12262	33.3
255.15843	5.0
255.18036	1.5
255.25070	4.6
256.19113	5.0
256.26355	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	255.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.8
55.01868	11.8
55.05511	30.6
57.03440	55.8
57.07075	11.8
58.06588	3.6
58.07409	2.0
59.05002	1.9
65.03949	3.6
67.05506	94.5
68.05836	1.6
69.03402	2.6
69.07071	26.3
69.11840	3.3
69.12245	11.5
70.06592	11.4
71.01370	4.4
71.04991	10.0
71.08642	2.8
72.69595	1.8
77.03888	1.7
79.05495	100.0
80.05830	2.1
81.03420	11.2
81.07054	43.7
81.75757	1.9
81.83787	1.7
83.01350	4.8
83.04982	29.0
83.08618	7.7
84.04437	2.0
85.02906	4.0
85.06553	7.3
86.06086	8.2
87.06398	3.2
88.07642	11.1
88.08156	2.0
91.04897	2.6
91.05480	58.2
93.07042	90.9
94.69102	1.8
95.04986	11.0
95.08606	12.1
97.06536	21.7
97.10177	15.9
98.98466	21.2
100.07587	12.7
101.07964	4.0
102.09195	7.1
105.07037	11.4
107.04955	6.4
107.07857	3.1
107.08599	61.9
109.06525	5.0
109.10183	13.2
111.08105	3.8
115.05474	4.7
117.07019	28.2
119.08583	13.9
121.06500	4.0
121.10138	10.2
125.09654	6.4
131.08638	1.8
133.10152	5.1
135.08046	22.3
135.11691	97.2
137.09624	2.1
141.06990	1.7
143.08580	4.3
145.10132	17.7
153.09068	2.1
153.12747	2.9
155.08495	2.1
156.94688	1.7
157.10159	2.5
163.07574	1.9
163.11183	10.6
169.10190	2.4
181.12201	13.5
183.11722	2.5
197.13271	2.2
213.16335	2.8
224.54799	2.0
227.14273	2.0
235.36440	2.0
255.12320	7.9
255.15710	43.7
255.21120	2.1
255.25142	52.8
256.26361	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.159
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03938	8.2
55.01870	9.1
55.05510	30.6
57.03437	60.7
57.07072	10.4
58.06592	1.7
65.03899	3.6
67.05505	88.3
68.05825	2.2
69.03415	2.6
69.07071	27.8
69.07800	1.9
69.08192	7.9
70.06599	8.3
70.60683	1.2
71.01363	6.9
71.04990	7.8
71.08628	3.0
73.02892	1.6
74.70732	1.1
75.78117	1.1
79.05492	95.5
80.05820	1.3
81.03417	13.8
81.07057	44.1
83.01311	3.4
83.04979	31.9
83.08608	8.5
85.06553	6.8
85.10143	1.3
87.68951	1.4
88.07624	11.4
91.05481	58.0
93.07043	98.3
94.07349	1.7
95.04981	9.2
95.08598	13.0
97.06535	27.4
97.10165	18.7
98.22551	2.1
98.98464	14.7
99.04456	1.2
99.08054	3.9
102.09191	9.6
103.05392	1.5
105.04481	2.1
105.07034	9.7
107.04910	4.9
107.08595	68.7
108.08879	2.0
109.06506	2.1
109.10149	8.8
109.13446	1.0
111.04436	1.3
111.08046	5.2
115.05415	4.9
117.07011	31.4
119.08582	13.7
121.06459	4.3
121.10133	12.8
125.09570	5.1
133.10139	7.0
135.07082	1.9
135.08060	29.4
135.11688	100.0
136.11983	5.2
137.09569	4.0
143.08578	1.3
145.09053	1.2
145.10109	17.9
146.84566	1.1
153.09000	1.6
153.12668	3.2
163.07492	3.8
163.11168	13.7
169.10158	1.2
171.11624	2.4
173.68814	1.1
181.06416	1.4
181.08592	2.1
181.12228	13.9
199.09543	1.6
239.28851	1.2
247.57500	1.3
255.11777	5.6
255.15802	49.3
256.26361	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32826	1.0
53.03943	3.2
55.01882	5.9
55.05511	28.3
57.03438	57.1
57.06824	1.0
57.07075	4.2
64.09830	1.0
65.03936	2.1
67.05505	78.8
68.05874	1.3
69.03425	1.8
69.07069	24.1
69.34664	1.5
69.35072	4.8
71.01357	7.2
71.04992	8.9
72.08138	1.7
79.05493	76.7
81.03416	7.3
81.07059	41.1
83.04984	20.5
83.08609	4.4
85.06538	8.9
91.05483	31.5
93.07043	81.7
95.04969	7.6
95.08606	13.9
97.06529	23.3
97.10172	19.7
98.22614	2.4
98.98467	5.7
99.04435	1.4
99.08076	3.4
99.65898	1.0
105.04510	1.5
105.07024	8.3
107.04952	3.0
107.08593	56.8
108.08875	1.3
109.06528	2.8
109.10143	9.0
111.08062	3.2
111.11719	1.6
115.05426	1.3
116.36971	0.9
117.07019	8.7
119.08582	11.5
121.06532	2.7
121.10143	12.1
125.09641	3.1
129.06981	1.1
130.07855	1.5
133.10161	7.0
135.08070	4.5
135.11694	100.0
136.12019	1.8
137.09608	3.5
143.08609	2.0
145.10133	17.0
151.11182	1.3
153.07054	1.6
153.12750	2.8
157.09973	1.2
163.11169	12.5
169.10187	1.1
181.12225	16.5
181.13664	1.7
185.32695	0.9
195.11725	1.2
199.13344	1.3
255.06467	2.1
255.10313	1.1
255.15840	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14507	1.2
53.03939	5.7
55.01866	4.6
55.05512	27.0
57.03437	54.0
57.03716	2.7
57.07076	3.3
65.03944	2.5
67.05505	76.8
69.07065	26.6
71.01363	7.3
71.04990	9.1
77.03937	1.3
79.05494	77.1
80.05843	1.8
81.03408	8.1
81.07056	35.5
83.01360	1.4
83.04980	18.1
83.08612	8.0
85.06542	6.0
91.05484	31.5
93.07042	79.2
94.07385	1.9
95.04966	8.2
95.08605	13.7
97.06522	17.7
97.10167	21.5
98.22572	2.6
98.98449	7.2
99.04466	1.8
99.08092	2.0
105.04531	2.5
105.07018	6.6
107.04975	4.0
107.08591	48.3
108.08922	1.5
109.10149	10.7
111.08083	4.0
117.07024	10.7
119.08575	8.6
121.06570	2.2
121.10122	11.8
125.09651	2.7
133.10168	6.5
135.08060	10.1
135.11691	100.0
136.12042	1.6
137.09656	3.9
143.08617	1.3
145.10127	15.3
146.10425	1.0
153.07080	1.3
153.09143	1.2
153.12737	4.1
163.07527	1.8
163.11194	12.1
181.06592	1.5
181.08650	1.2
181.12218	15.3
203.63707	1.2
255.10052	2.2
255.12180	1.5
255.15871	34.6
259.11105	1.3
273.04086	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49049	1.5
53.03951	7.4
53.04166	1.6
53.77317	1.1
55.01870	9.6
55.05512	30.0
57.03439	62.1
57.07058	4.5
65.03919	3.1
67.05505	87.2
69.03407	3.0
69.05093	11.1
69.07070	29.7
71.01363	6.7
71.04983	8.9
77.03864	1.3
79.05494	82.5
81.03419	10.7
81.07062	41.7
83.01311	4.7
83.04983	24.2
83.08610	7.8
85.06541	7.3
91.05483	54.9
91.36412	1.4
93.07046	88.3
95.04982	9.6
95.08604	15.4
96.84528	1.2
97.02847	2.8
97.06535	21.7
97.10173	21.5
98.98465	17.5
99.04475	2.5
99.08104	3.0
105.04478	2.4
105.07033	8.8
107.04912	4.6
107.08595	67.3
109.06484	5.0
109.10152	11.9
111.04442	1.5
111.08038	3.9
115.05408	4.0
117.07015	29.2
119.08585	12.6
121.06476	4.3
121.10153	15.3
123.11631	1.6
125.09582	4.8
128.06172	2.3
129.06958	2.6
131.08530	2.1
133.10059	5.8
135.08072	27.8
135.11696	100.0
136.11981	2.9
136.65239	1.3
137.09532	3.1
139.11113	1.7
141.06949	1.8
143.08517	2.3
145.10124	19.5
149.09586	1.4
151.11230	1.7
153.06892	1.8
153.09004	1.9
153.12631	3.6
157.10097	2.4
163.07428	4.1
163.11174	16.9
166.07825	1.9
171.07915	1.7
181.06363	1.7
181.09949	1.6
181.12273	22.5
197.05829	1.9
199.07570	2.8
199.13039	1.5
199.14810	1.9
209.09489	1.6
211.07460	2.5
213.05354	3.2
213.08958	2.6
225.67516	1.3
227.06816	1.8
255.06378	3.4
255.10034	8.0
255.12212	5.5
255.15781	43.2
255.21071	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.232
Annotation	Actinopolysporin C
Peak:m/z	Relative Intensity
53.03952	5.3
55.01881	6.7
55.05513	72.9
57.03436	15.5
57.07080	60.8
59.04996	2.7
63.56355	2.3
67.05507	41.3
67.05838	3.3
69.07072	100.0
71.05033	5.4
71.08637	40.3
73.06561	3.5
79.05495	34.6
81.07056	61.5
83.04959	13.6
83.08623	72.4
85.02936	2.5
85.06565	8.3
85.10189	16.7
91.05494	17.8
93.07045	46.0
95.08609	51.5
97.06532	36.4
97.10179	42.6
98.23359	5.6
98.98484	19.9
99.08089	6.8
99.11697	3.0
101.06081	2.7
102.09146	2.4
105.00475	2.6
105.07021	13.2
107.08598	46.5
109.10146	29.3
111.04501	3.5
111.08074	17.2
111.11713	13.6
113.09697	5.2
115.07588	7.0
117.07030	13.5
119.08604	12.7
121.10142	34.5
123.11758	11.5
125.08849	2.3
125.09623	12.9
127.11181	2.7
129.06944	3.0
129.09114	4.0
131.08589	4.1
133.10172	9.0
135.08096	9.4
135.11694	50.5
137.13295	8.5
139.11165	13.1
141.12779	3.3
142.07808	2.6
143.08559	7.3
145.10155	9.4
147.11720	5.3
149.13280	28.7
153.12746	14.0
157.10135	7.2
159.11717	3.1
163.11211	3.7
163.14836	19.6
167.14334	6.9
171.11708	7.9
173.13313	3.0
177.16418	4.8
181.15884	4.4
185.13257	5.3
195.21100	3.7
197.13228	2.9
199.14885	6.6
209.11768	8.8
211.14828	4.3
213.16353	4.8
219.21086	33.8
225.37694	2.4
237.11148	4.0
237.22137	19.2
255.17546	10.4
255.21109	35.7
256.26401	15.2
275.69714	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	256.9647
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98655	0.5
56.79179	0.2
56.96568	11.6
69.60688	1.0
69.61087	0.6
71.95272	3.6
76.40840	0.3
98.00127	0.2
98.22686	0.5
98.97589	100.0
99.97958	0.3
112.92250	0.3
116.98627	43.7
130.93292	1.3
134.99670	10.6
140.00179	0.8
153.00705	0.7
172.94363	5.3
190.95416	2.9
208.96449	0.9
214.95377	2.1
232.96469	4.6
250.95409	0.3
250.97565	2.4
255.98158	0.3
256.96448	8.0
274.97516	47.3
275.97879	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.9645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
54.39506	0.3
54.98635	0.5
55.01866	1.1
55.05509	0.6
56.96565	14.0
57.03432	0.8
57.03695	0.3
63.03572	0.2
67.05505	0.7
69.03433	3.7
69.50980	0.2
69.51167	0.4
69.51564	1.3
71.01346	0.7
71.04987	0.6
71.95263	3.9
72.08158	0.7
73.02910	0.8
79.05478	0.3
81.03419	2.8
83.01295	0.3
83.04971	1.7
85.02911	2.8
86.06023	0.2
91.05463	0.3
94.06627	0.4
94.09005	0.2
95.04955	0.9
95.06141	0.3
97.02898	5.3
98.97581	100.0
99.04447	1.1
99.97935	0.6
101.00887	0.5
109.02889	0.7
110.97542	0.7
111.04437	1.1
113.02357	1.6
116.98618	46.4
117.98922	0.4
119.01940	0.8
123.04461	0.4
123.05484	0.3
127.03908	2.2
130.93306	1.9
131.01910	0.4
134.99660	11.9
136.99089	0.4
139.03920	0.4
140.00198	0.6
153.00720	1.1
155.00092	1.7
155.01956	0.3
155.03522	0.3
157.04929	0.2
158.99635	0.5
171.06367	0.3
171.77591	0.3
172.94350	5.5
173.01221	1.0
176.03419	0.2
185.06537	0.3
189.00717	0.3
190.19215	0.2
190.95392	4.2
197.01302	0.5
197.02956	0.4
208.96455	0.7
211.10886	0.2
214.95341	2.7
215.02245	0.6
219.01701	0.3
221.38164	0.3
232.96443	5.1
241.94305	0.2
250.97470	2.8
256.96405	7.8
257.06555	1.1
257.15137	0.4
261.03079	0.3
274.97491	49.6
275.97839	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.9647
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98643	0.5
56.96565	13.9
58.81405	0.3
68.05037	0.4
69.39899	1.8
71.95259	3.7
72.08151	0.5
81.03387	0.3
84.04488	0.4
98.97584	100.0
99.97935	0.3
101.00868	0.3
102.80096	0.3
109.78333	0.3
114.05498	0.4
116.98622	50.5
119.01946	0.5
130.93321	1.6
134.99660	15.5
139.32761	0.3
140.00198	0.9
148.94295	0.3
153.00691	1.1
158.01251	0.5
171.06285	0.7
172.94360	5.2
173.01256	0.4
185.06522	0.3
190.95403	3.7
208.96454	1.1
214.95378	1.9
215.02299	0.6
232.96468	5.6
241.57579	0.3
243.78333	0.3
250.97502	2.3
256.96420	7.4
257.15097	0.4
258.13184	0.5
274.97501	48.4
275.97858	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
65.03931	5.6
67.05498	2.4
70.49844	1.9
70.50175	0.8
79.05468	1.4
81.07059	0.8
82.02940	1.3
85.69709	0.8
91.05498	0.9
91.20528	0.8
92.05002	6.8
94.06561	2.5
95.04951	0.8
98.54736	0.8
98.97583	2.4
105.04524	0.9
106.06549	1.5
107.61803	0.8
110.06052	1.2
115.23664	0.8
116.98604	1.4
119.08583	0.9
120.04472	4.1
121.32669	0.8
122.06037	3.2
129.06947	1.6
131.62917	0.7
132.08069	1.0
136.07571	0.9
142.07796	1.1
144.08070	1.8
145.10120	1.2
154.06519	2.9
154.07735	1.0
155.07291	1.8
156.08060	2.9
157.08888	1.9
158.06067	1.5
158.09683	1.3
160.07579	2.0
168.06845	1.2
168.08107	5.2
169.08879	6.6
170.09641	1.9
171.09148	3.0
171.10435	2.0
172.07550	1.1
172.09944	3.3
174.09290	1.2
182.06068	1.3
183.06801	2.8
183.09195	2.2
184.07614	3.9
184.11223	9.0
185.07101	3.4
185.10719	5.3
186.11511	11.4
186.12912	1.2
187.08684	2.3
188.10686	1.2
194.09686	1.4
196.07545	2.1
196.09956	2.2
197.08350	8.3
198.09238	1.6
199.08543	6.9
200.09389	18.0
200.12807	1.1
201.10214	4.6
201.13863	14.6
202.14095	0.8
210.05023	0.8
211.08676	4.3
211.12373	1.3
212.10736	15.7
213.06619	10.6
213.10159	11.5
214.07324	1.5
214.10820	10.7
216.30211	0.9
224.09509	2.4
225.07825	1.0
227.08173	11.2
228.08904	33.1
229.09818	27.9
229.13339	61.4
230.13716	2.1
239.11781	3.6
240.10239	5.7
241.09723	20.5
242.10500	42.6
257.12848	100.0
258.13138	3.2
274.97443	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1284
Annotation	Albonoursin
Peak:m/z	Relative Intensity
53.03946	1.2
57.24136	0.9
65.03931	4.3
67.05494	3.1
79.05482	0.9
81.07072	1.0
82.02922	1.1
91.05476	2.6
92.05000	7.7
94.06558	1.7
95.08594	1.0
95.36417	0.7
97.06524	0.9
98.97584	3.3
105.07041	1.4
106.06549	1.4
108.08113	1.7
110.06021	1.5
116.98645	1.7
117.06995	1.1
120.04469	3.4
122.06055	4.0
129.06940	1.2
130.06532	2.0
131.07281	0.8
132.08142	1.4
136.07510	1.2
142.06532	1.3
142.07762	1.0
143.07317	1.2
143.08488	1.5
144.08098	1.9
145.08894	1.5
145.10104	2.0
154.06514	2.3
154.07715	1.2
155.07256	1.3
156.08095	2.9
157.08890	1.5
157.10120	1.5
158.05983	1.1
159.09209	1.3
160.07558	2.9
163.08681	1.0
168.08076	3.7
169.08865	6.0
169.10114	1.1
170.06062	1.3
170.09628	1.6
171.09167	3.3
171.10469	1.4
172.07614	2.1
172.09943	3.1
173.08383	0.9
173.10800	1.3
174.09218	1.3
182.06027	2.4
183.06755	2.0
183.09189	3.9
184.07587	4.2
184.11214	8.7
185.07126	2.2
185.10698	6.2
186.09198	1.1
186.11513	11.3
187.08670	2.6
194.09674	1.0
195.09297	1.2
196.07602	2.0
196.09956	2.2
197.08366	9.4
199.08617	9.9
199.10033	0.7
199.11975	0.7
200.09416	20.1
200.13110	1.4
201.10222	4.8
201.13858	15.4
211.08768	3.6
211.12352	1.7
212.10713	16.4
213.06625	12.6
213.10143	12.5
214.07402	3.1
214.10847	11.9
216.38629	0.8
224.09464	2.6
226.07271	1.0
227.08147	12.2
228.08875	30.6
229.09808	28.8
229.13342	58.7
230.13684	2.3
239.11792	3.2
240.10258	3.7
241.09721	24.5
242.10489	39.4
243.10812	1.3
257.12848	100.0
257.18710	1.9
258.13138	3.2
274.97668	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31263	1.1
53.03951	5.0
53.32725	0.9
55.01858	4.1
55.05508	4.1
57.03164	1.6
57.03437	26.2
57.22913	1.0
57.31771	0.9
63.66357	1.0
65.03927	2.1
67.05508	34.5
68.05836	1.3
69.03415	3.6
69.07063	3.8
69.64100	3.5
71.05003	5.8
75.31618	1.1
79.05495	12.2
81.03419	73.7
81.07056	12.5
83.04977	6.2
85.02430	1.8
85.02907	25.8
91.05482	89.5
93.06476	1.9
93.07045	37.2
95.04961	5.0
95.08607	27.1
97.02885	2.6
97.06538	1.9
98.97588	4.1
103.05490	1.7
105.07027	8.5
107.04946	1.5
109.06525	3.0
109.10162	20.0
111.08073	1.3
116.98601	2.6
117.07011	6.1
119.08582	100.0
120.08928	2.4
121.06500	7.2
121.10142	4.0
123.08068	3.6
129.05521	1.5
129.06981	4.1
133.06496	1.9
135.08038	2.8
137.05991	5.0
137.09615	56.3
147.08046	12.8
165.09120	55.7
166.09471	1.1
167.91403	1.1
183.10173	13.9
197.07062	1.1
201.11185	3.6
221.11784	1.6
239.12772	5.0
256.96268	1.2
257.13812	28.1
258.14108	1.3
274.97440	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	257.1901
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
55.01887	0.7
55.05513	3.6
56.96561	1.7
57.07069	1.6
65.03937	0.8
66.12634	0.7
67.05502	5.8
69.07072	10.8
69.87917	3.1
71.04983	1.9
71.08607	0.8
72.08139	2.5
79.05489	4.8
81.07053	5.8
83.04984	1.3
83.08611	2.5
85.06546	1.7
89.18404	0.7
90.09198	1.8
91.05479	7.9
93.07049	9.3
95.04963	1.4
95.08607	10.0
97.06536	7.9
98.22714	0.9
98.97577	7.0
99.08077	2.1
100.03822	0.7
105.07034	10.3
107.08595	6.3
109.06492	2.7
109.10150	6.5
111.08049	1.1
113.97637	0.7
115.05428	1.5
116.98615	5.4
117.07008	7.3
119.08579	11.9
121.10147	13.0
123.08035	2.5
123.11692	1.3
128.06238	1.7
129.07011	6.8
130.07774	1.8
131.08569	14.2
133.06514	0.8
133.10130	10.5
134.99649	2.8
135.08032	4.5
135.11658	3.9
137.09625	3.6
141.06979	2.4
142.07793	4.9
143.08571	11.6
144.09312	2.4
145.06400	1.1
145.10124	26.7
146.10704	0.7
147.08072	2.1
147.11676	4.4
149.09578	2.1
153.06992	1.5
155.08521	4.2
156.09349	3.3
157.10127	20.4
158.10916	3.4
159.08061	2.8
159.11694	22.0
160.12340	0.8
161.09563	4.7
161.13268	8.1
163.11183	2.5
164.89615	0.7
168.09375	2.5
169.10092	6.4
170.10938	1.6
171.11690	14.2
172.08855	0.8
172.12422	0.9
173.09634	4.9
173.13260	17.4
175.11218	3.9
181.10103	1.2
182.10893	1.1
183.11703	11.0
184.12474	2.2
185.13234	6.3
187.11165	6.6
187.14781	3.6
188.11884	1.0
189.12715	2.5
195.11728	1.9
196.12422	1.4
197.13243	8.3
198.13889	1.5
199.11198	3.3
199.14813	14.5
201.12715	9.6
209.13261	1.5
210.14012	1.0
211.14851	3.3
213.16370	13.9
214.17047	3.4
215.14340	2.7
215.17928	20.8
221.13100	0.9
221.16910	0.8
224.15552	1.4
225.07318	1.5
229.09775	1.1
229.13388	1.2
229.15773	0.9
229.19531	1.3
239.17950	14.1
240.09682	1.9
242.10486	0.9
257.13058	2.3
257.19000	100.0
257.26566	3.3
258.19370	2.6
258.27951	11.4
274.97409	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	257.1899
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
53.03935	1.0
55.05503	4.3
56.87502	0.7
57.07064	1.9
59.23317	0.8
67.05502	6.9
69.07068	4.9
70.14451	1.3
70.14834	1.3
71.04992	4.6
72.08144	2.1
79.05483	5.1
81.07060	4.5
83.04965	2.0
83.08615	3.1
85.06529	3.3
90.09167	2.2
91.05476	7.2
93.07028	11.0
95.04958	3.9
95.08035	1.1
95.08607	10.5
95.66605	0.6
97.06541	1.9
97.10130	1.1
98.97568	1.6
99.08077	1.1
103.05460	1.4
105.07028	22.0
107.08590	11.1
109.06513	5.9
109.10146	8.3
111.08067	1.8
113.37700	0.7
115.05386	1.2
117.07009	5.2
119.07788	1.3
119.08575	21.1
121.06469	0.8
121.10139	42.5
123.08035	3.6
123.11657	1.4
128.06201	2.8
129.07005	4.8
130.07745	1.2
131.08566	13.7
133.07559	1.4
133.10126	10.5
135.08044	8.5
135.11667	3.2
137.09650	3.9
141.06978	1.5
142.07780	6.9
143.08556	15.1
144.09332	3.2
145.10114	16.2
147.08011	1.7
147.11670	4.1
149.09604	3.2
151.11192	1.0
152.56473	0.7
153.06882	1.3
154.07747	1.2
155.08533	5.1
156.09323	4.8
157.10126	22.5
158.10896	4.7
159.08115	0.9
159.11687	25.5
160.12338	0.7
161.09567	1.8
161.13269	1.7
163.11168	2.6
167.08621	0.9
168.09325	2.6
169.10123	11.5
170.10835	2.3
171.11684	11.1
172.08789	1.3
172.12230	1.1
173.09612	2.8
173.13257	27.0
174.14038	4.7
175.11185	2.7
175.14792	3.2
181.10065	1.4
182.10956	1.6
183.11690	10.1
184.12480	3.9
185.13213	3.8
187.11177	7.1
187.14771	4.5
188.11867	1.4
189.12744	2.5
195.11688	1.9
196.24864	0.8
197.13281	8.1
198.13885	1.2
199.14819	27.2
200.15265	1.5
201.12759	7.7
209.13281	2.0
210.13896	1.0
211.14815	1.6
213.16383	11.7
214.17078	3.1
215.14351	3.5
215.17896	6.8
224.15562	2.7
239.17929	14.8
242.16724	1.2
257.18988	100.0
257.26401	4.2
258.19431	4.0
258.27945	9.0
267.91977	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05514	7.0
57.03426	2.4
67.05507	11.7
69.07077	7.1
70.58195	2.7
71.04991	3.9
72.08157	1.3
79.05505	8.3
81.07047	11.6
83.04977	2.6
83.08613	4.8
85.06537	5.3
91.05479	14.2
93.07046	14.5
95.04967	2.1
95.08603	13.8
97.06537	2.8
98.97580	4.2
99.08085	2.2
105.07035	16.2
107.08601	8.6
108.92929	1.1
109.06524	4.9
109.10158	5.6
111.08073	1.7
115.05448	2.7
116.98613	2.5
117.07034	19.8
119.08578	17.9
121.10148	15.8
123.08071	3.4
123.11658	1.7
128.06250	3.4
129.06998	13.8
130.07780	3.1
131.08571	34.2
133.06503	2.3
133.10130	13.2
135.08061	4.7
135.11659	2.2
137.09566	4.1
141.06996	5.2
142.07793	8.2
143.08563	22.2
144.09273	4.0
145.06447	1.4
145.10129	44.6
147.11732	7.6
149.09625	2.3
153.06960	2.3
154.07794	1.3
155.08556	9.9
156.09375	3.5
157.10121	28.2
158.10907	4.5
159.08061	4.3
159.11687	40.1
159.13004	2.4
161.09607	3.4
161.13245	3.3
163.11227	2.2
167.08650	1.7
168.09335	2.9
169.10146	13.7
170.10829	2.5
171.11688	19.9
172.08794	1.9
173.09636	3.9
173.13272	29.3
174.13902	4.3
175.11200	4.3
175.14857	1.6
177.12802	1.5
181.10103	1.4
182.10924	3.3
183.11685	21.8
184.12482	4.4
185.13283	9.1
187.11195	6.3
187.14886	5.6
189.12802	1.7
195.11691	2.0
196.12488	1.3
197.13219	12.5
198.14015	2.0
199.11189	1.5
199.14832	22.1
201.12709	8.7
201.16539	1.4
209.13289	2.1
210.13995	2.7
211.14781	5.9
213.16353	11.4
214.17107	1.8
215.14305	3.9
215.17950	7.4
224.15569	1.8
229.19496	3.4
239.17953	22.8
257.19003	100.0
258.19400	3.5
258.28021	6.0
274.97598	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.19
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
54.46464	0.8
55.05510	2.9
57.03432	0.8
57.07077	0.9
63.74590	0.8
67.05508	5.0
69.07068	9.5
71.05004	1.4
72.86478	0.7
79.05490	3.6
81.07050	6.7
83.08615	1.9
85.06539	1.6
91.05489	5.1
93.07043	7.0
95.04981	2.1
95.08611	9.3
97.06512	7.1
98.97578	1.0
99.08101	2.1
103.05424	1.4
105.07028	9.8
107.08612	8.0
109.06487	1.3
109.10149	5.7
111.08063	1.9
117.06986	3.6
119.08573	10.7
120.12870	0.8
121.10154	12.4
123.08062	2.1
123.11691	1.9
128.06149	1.1
129.07007	3.2
130.07805	1.1
131.08560	7.0
133.10133	11.1
135.08069	5.6
135.11635	4.2
137.09622	3.4
141.06929	0.9
142.07773	4.9
143.08578	9.5
144.09351	2.8
145.10121	19.3
147.08084	0.8
147.11670	5.1
149.09615	2.4
153.07011	1.1
155.08560	2.7
156.09348	4.2
157.10132	19.8
158.10796	2.3
159.08070	1.8
159.11684	21.8
161.09669	3.6
161.13263	6.4
163.11171	2.9
167.08583	0.9
168.09317	1.3
169.10115	6.2
171.08006	0.9
171.11705	11.8
172.08897	1.5
172.12369	0.9
173.09634	5.2
173.13269	16.5
175.11177	3.3
182.10873	1.6
183.11697	9.0
184.12498	2.2
185.13281	4.6
187.11198	7.7
187.14803	4.4
188.11906	1.3
189.12779	2.0
195.11708	1.6
196.12622	1.2
197.13266	7.1
198.14050	1.1
199.11203	0.8
199.14793	17.5
201.12776	11.0
201.14581	0.7
209.13255	1.3
210.14145	0.9
211.14809	2.1
213.16402	16.4
214.17168	4.8
215.14351	3.3
215.17969	20.7
224.15562	2.5
227.14368	1.0
229.19780	1.1
239.17943	10.7
257.19003	100.0
258.19238	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	258.074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.9
55.05508	1.2
56.05023	3.5
56.96565	32.1
67.05515	2.3
69.03437	2.7
70.06583	4.6
71.04990	1.8
71.28547	1.4
71.95234	1.1
72.08138	1.7
73.99210	1.7
79.05461	1.1
81.04573	1.3
81.07036	1.9
82.91220	1.1
83.04990	1.1
83.97636	17.5
84.04500	1.5
84.96040	1.4
85.02909	3.1
95.06073	1.4
96.04539	1.2
97.02903	6.8
97.06506	1.3
98.06059	30.9
98.97583	19.3
99.04442	2.1
99.97112	4.9
99.97916	3.8
100.07650	2.0
104.10738	1.3
109.02857	1.1
114.09158	2.3
116.07095	34.1
116.98627	10.1
117.98166	1.6
117.98929	2.7
125.07117	1.2
128.00192	20.2
133.74979	1.1
134.05992	3.0
134.99652	4.8
136.00005	2.7
137.98613	2.0
138.05467	1.9
143.08173	2.2
146.01251	56.2
155.06810	5.9
155.99690	11.7
156.03392	1.4
164.02312	86.6
166.08644	1.9
169.02846	1.8
171.06297	19.7
173.26576	1.2
174.00772	22.6
174.04410	3.4
180.06552	2.3
182.03368	22.5
187.03926	2.9
192.01773	6.7
192.05292	1.2
194.08290	1.4
200.05939	3.3
202.00229	3.4
204.05492	2.0
210.04378	3.9
212.09184	1.4
218.07007	34.1
220.01288	3.2
222.06331	1.3
228.05428	16.1
234.98943	2.0
236.08069	10.3
241.15459	1.6
246.06404	5.3
248.96609	1.3
257.96848	1.3
258.06516	23.9
258.13226	18.4
258.99719	3.6
259.16544	4.1
275.97818	8.4
276.07559	100.0
277.00790	4.9
277.07932	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	258.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06585	1.3
70.13697	0.5
70.14056	0.6
100.11253	0.6
112.66415	0.3
117.70991	0.3
133.03503	0.5
155.06792	25.8
156.07104	0.3
171.06279	100.0
172.06601	1.8
199.05800	0.8
258.13141	50.5
259.13464	1.6
276.12891	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.9978
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	7.2
69.65014	1.6
71.95261	2.1
92.53906	0.3
98.97588	100.0
99.97984	0.4
100.97201	0.5
100.98011	0.5
116.98630	40.2
117.98934	0.4
134.99672	7.2
135.29547	0.3
140.00217	0.6
153.00722	0.6
216.98788	0.4
234.99742	0.6
240.98679	2.9
258.99774	39.1
259.99927	1.4
277.00821	46.4
278.01108	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01884	1.0
56.96561	2.7
57.03423	2.9
58.06572	0.6
58.52600	0.5
58.80178	0.5
61.02925	0.7
67.05489	0.9
69.03433	19.1
70.06571	0.8
71.01340	0.8
71.05000	0.9
71.27911	0.8
72.08152	1.0
72.29533	0.6
73.02921	1.3
79.05509	0.7
80.05013	0.6
81.03423	4.3
81.04485	0.6
82.06583	0.6
83.04968	1.0
84.04526	1.5
84.08150	1.0
85.02433	0.9
85.02913	12.6
85.06578	0.6
87.04478	1.2
95.04980	0.9
97.02893	100.0
98.03243	1.4
98.06068	0.9
98.97585	7.9
99.04464	1.6
100.02229	1.5
101.00899	1.0
109.02887	1.7
111.04419	1.2
111.05576	2.6
112.99121	1.2
113.05973	0.8
115.02422	0.5
115.03941	2.2
116.07115	0.8
116.98640	4.4
119.01910	2.0
121.01663	1.4
123.04424	0.5
127.03931	4.2
129.05501	1.0
130.05013	2.1
131.00160	0.8
131.01932	1.3
133.01704	0.7
133.03401	0.9
134.99677	1.2
139.02771	0.5
145.03300	0.6
145.04976	1.2
146.02722	0.9
155.06801	1.2
156.07137	1.4
157.03506	0.8
158.99789	0.8
160.04720	0.6
169.04323	0.9
169.05489	1.0
169.54602	0.6
171.05099	0.6
171.06276	3.4
172.06638	6.1
173.03047	0.6
175.02843	0.6
175.04501	0.8
177.00621	0.7
178.04893	4.6
181.60930	0.5
187.06317	1.1
189.06105	0.6
191.03973	0.7
199.02765	0.6
203.37001	0.6
206.48007	0.6
213.12221	0.6
235.06709	0.8
244.20013	0.5
245.05255	0.5
258.00937	0.5
258.99728	3.7
259.07983	6.2
259.13278	9.5
263.02634	0.5
277.00821	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	259.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00272	0.7
53.03936	2.0
55.01865	2.4
56.96565	10.9
57.03430	2.4
57.54497	0.7
61.02921	0.9
65.03951	0.7
67.05497	1.1
68.05007	0.9
68.98299	0.9
69.03431	31.2
70.24656	0.9
70.25018	1.8
71.01347	2.1
71.04979	2.4
71.95266	2.0
73.02920	1.8
79.05474	1.4
80.05016	1.7
81.03420	8.1
82.06580	1.9
82.99866	1.4
83.04991	1.2
84.04523	1.3
85.01459	1.3
85.02911	19.7
86.99345	1.1
95.04962	2.3
97.01405	1.2
97.02894	22.6
98.06025	1.1
98.97585	100.0
99.04462	7.3
99.97881	0.9
100.02226	0.9
100.97218	0.9
100.97974	0.9
101.00890	10.7
103.02456	1.4
103.05453	0.9
107.04944	1.0
109.02843	2.3
111.04458	0.7
113.00886	7.6
115.02448	12.4
115.03916	2.8
115.52566	0.7
116.98625	46.5
117.04000	1.0
118.98253	1.1
118.99063	0.9
119.01921	13.2
120.01981	1.0
121.06459	0.9
123.04446	0.9
127.02482	3.3
127.03907	10.9
129.56177	0.9
130.05023	2.0
131.01910	14.5
133.03471	22.5
134.03647	0.9
134.99667	11.3
136.07550	0.8
138.01617	1.6
139.02438	1.4
141.03952	1.4
143.01917	1.7
145.03458	9.0
145.04955	1.3
146.02728	1.2
149.02995	0.9
151.04614	1.7
153.00702	1.6
153.04037	0.7
155.01918	8.7
155.03235	1.2
156.02707	3.6
157.03470	18.7
158.03622	0.8
159.05083	4.9
161.03008	1.7
163.04578	0.9
169.03465	13.2
169.04803	0.9
171.05054	7.2
171.06352	1.3
173.02983	8.9
175.04530	12.4
181.03419	1.4
183.05031	1.4
185.02966	1.7
187.04515	12.1
189.06065	3.3
191.04063	0.9
193.03444	4.0
198.07703	0.7
199.04536	6.3
201.06129	2.4
203.04005	6.3
211.04498	6.8
216.98654	1.0
217.03729	1.0
217.05609	1.7
221.05081	14.9
234.99799	1.5
240.98659	1.3
258.99762	33.4
259.06622	75.3
259.99884	2.5
260.06842	3.5
276.97955	2.3
277.00821	46.5
277.07568	4.1
278.00974	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01865	5.6
55.05510	0.9
57.03427	1.7
65.03923	0.6
66.46928	0.4
67.05510	3.4
69.03423	1.1
69.07065	16.3
69.23840	3.5
69.38126	0.4
71.12532	0.5
77.03913	1.5
77.74009	0.5
79.05492	14.5
87.49279	0.5
89.03918	8.4
91.05487	0.8
95.04988	1.1
97.06529	100.0
98.06840	1.1
99.91137	0.6
105.03379	1.2
107.04952	1.7
117.03378	7.4
119.04972	0.7
131.04915	1.3
132.02063	0.8
133.02846	5.1
134.03624	0.9
135.03505	0.8
135.04427	10.5
136.14296	0.5
141.06992	0.6
145.02847	8.0
147.04413	1.4
150.64311	0.5
157.06473	1.1
157.35455	0.6
159.04414	5.3
159.08060	0.6
161.02335	18.1
163.03897	42.7
164.04239	1.1
173.02339	46.5
174.02660	1.0
175.03908	1.3
185.04054	0.5
185.05927	2.0
186.03120	1.8
187.03931	1.1
187.07513	0.9
189.05495	0.5
199.03867	0.6
215.07024	43.8
216.07271	1.5
217.04892	1.1
241.08524	1.0
259.09650	16.8
260.10022	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13253	0.5
55.01870	1.3
55.05494	0.8
57.07070	3.1
67.05489	2.2
69.07069	4.8
70.21985	1.0
70.22314	1.2
71.04979	0.7
71.08627	1.0
72.08158	7.8
73.08485	1.7
79.05501	3.8
81.07049	2.0
89.03903	1.7
90.09200	6.1
91.05481	2.2
91.09525	1.0
93.07026	1.6
95.04951	1.1
95.08599	1.5
97.05914	0.8
97.06535	12.8
98.23354	0.7
105.07034	3.4
107.04995	0.7
107.08617	1.3
109.06504	0.6
109.10194	0.6
117.03371	2.2
117.07021	1.3
119.08566	1.7
121.10146	1.2
129.07013	0.8
131.08548	1.5
133.02901	1.1
133.10132	1.8
134.03609	0.5
135.04407	3.8
135.08005	0.7
137.73824	0.6
143.08606	1.1
145.02866	1.9
145.10115	2.3
147.04384	0.7
147.11668	1.6
157.10112	1.7
159.11681	2.0
161.02298	2.0
163.03899	14.1
171.11739	1.1
173.02345	3.8
173.13280	1.1
180.01810	0.6
185.09604	0.6
185.13275	1.3
199.14818	1.4
201.16360	2.1
215.07030	3.9
217.05014	2.2
241.19463	0.6
258.27972	10.0
259.09579	3.7
259.16711	100.0
259.20578	3.9
259.28244	27.7
260.17108	3.0
266.94446	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	7.5
57.07066	1.3
60.17825	0.7
65.03941	1.1
67.05510	6.6
69.03400	0.9
69.07073	25.6
70.53906	2.2
71.04996	17.1
79.05490	4.3
81.07054	16.7
81.87453	0.7
83.04977	4.4
83.08624	5.7
83.58121	0.7
85.06548	19.6
91.05484	9.2
93.07044	10.3
95.04972	2.4
95.08612	14.2
97.06564	4.1
97.10197	0.9
99.08096	1.1
100.14263	0.7
105.07034	21.5
107.08607	14.0
108.54675	0.8
109.06539	4.5
109.10157	10.4
111.08072	5.3
113.09593	0.8
117.07016	6.0
119.08584	39.9
120.09395	0.9
121.06476	1.2
121.10146	10.7
123.08102	1.8
123.11711	21.1
128.06227	1.6
129.07001	2.3
130.07777	1.8
131.08577	11.7
133.10135	28.9
135.08060	8.9
135.11713	5.6
137.09593	3.9
137.13281	1.0
142.07764	1.9
143.08572	7.2
144.09352	3.0
145.10121	28.2
146.10518	1.4
147.08052	1.6
147.11679	16.0
147.12772	1.4
149.09608	2.5
149.13261	2.0
151.11198	1.1
155.08638	0.8
156.09346	2.4
157.10130	11.2
159.11699	27.5
160.12454	2.2
161.09613	1.3
161.13263	25.5
163.11179	2.5
163.14781	1.2
170.10913	2.1
171.11690	12.6
173.13284	8.6
175.11423	3.6
175.14827	73.1
176.15475	5.6
177.12787	3.6
177.16342	3.5
185.13255	12.4
186.13794	1.2
187.14774	1.0
189.12717	4.4
189.16388	5.4
190.13538	3.0
191.14276	1.8
199.14841	4.6
200.30060	0.8
201.16393	21.4
201.18201	1.6
202.16728	1.1
203.14314	10.0
215.17979	5.1
217.15958	0.8
217.19522	3.6
217.34885	0.7
241.19504	14.1
247.00577	0.7
259.20584	100.0
260.20990	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	259.2056
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
51.49332	1.1
52.75860	1.1
53.19715	1.0
55.05512	6.8
57.07049	1.8
67.05495	6.8
69.07066	28.1
69.81907	3.0
69.82326	3.5
70.35907	1.2
71.04993	16.8
74.11223	1.0
79.05482	4.5
80.85320	1.3
81.07050	15.4
83.04967	3.9
83.08617	7.8
85.06535	19.8
91.05471	7.1
93.07034	11.8
95.04948	2.4
95.08611	14.9
97.06518	2.6
99.08089	1.5
100.09348	1.3
105.07027	20.2
107.08595	17.8
109.06514	7.0
109.10154	12.5
111.08094	6.8
115.05484	1.3
117.07005	6.0
119.08580	42.6
121.10139	10.2
123.08029	1.9
123.11699	20.5
129.07024	2.2
130.07823	2.2
131.08549	10.5
133.10132	29.1
135.08063	10.5
135.11687	4.7
137.09642	3.6
142.07755	2.8
143.08522	6.7
144.09293	1.8
145.10106	31.0
146.85104	1.2
147.08095	1.3
147.11664	16.1
149.09593	1.9
149.13239	2.2
151.11185	1.5
156.09357	2.2
157.10114	10.7
159.11676	29.6
160.12447	1.7
161.09560	1.3
161.13246	24.9
162.13550	1.2
163.11183	3.0
170.10881	2.3
170.99846	1.3
171.11679	14.7
173.13266	9.6
175.11195	3.6
175.14815	72.9
176.15465	4.2
177.12746	4.0
177.16443	2.8
183.11729	1.5
185.13263	15.5
189.12753	4.3
189.16289	7.0
190.13461	2.3
191.14276	2.1
191.73018	1.5
191.82346	1.2
199.14813	5.5
201.16356	24.4
201.18170	1.5
203.14275	7.5
206.64900	1.1
213.16383	1.5
215.17992	4.4
217.19473	5.2
241.19507	18.7
259.20563	100.0
260.20795	4.8
261.10693	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29495	2.5
55.05497	8.6
57.07066	3.2
62.07159	2.5
67.05499	9.2
68.99769	2.5
69.07064	30.5
69.99664	8.7
71.05003	17.7
79.05480	7.0
81.07069	16.0
83.04978	5.3
83.08603	5.9
85.06536	20.0
91.05503	10.7
93.07023	11.2
95.04952	3.4
95.08598	17.6
97.06510	9.8
105.07025	24.7
107.08583	16.3
109.06499	4.8
109.10149	12.7
111.08093	7.3
117.07014	4.3
118.91765	2.2
119.08572	46.6
121.10128	10.4
123.08076	2.5
123.11712	27.7
129.01860	3.3
129.07027	3.3
131.08549	17.1
133.10118	32.6
135.08028	6.6
135.11717	4.5
143.08560	7.5
145.10136	30.6
147.11710	17.1
149.09720	3.0
149.47568	2.4
157.10132	8.8
159.11685	27.8
160.12459	4.0
161.13271	29.2
163.11215	2.7
171.11662	16.6
173.02339	4.3
173.13214	8.0
175.11177	4.7
175.14833	69.6
176.15503	4.2
177.12764	3.9
177.16512	3.4
185.13211	16.1
189.12721	3.5
189.16388	5.3
190.13579	2.8
199.14857	3.0
201.16379	26.0
203.14307	11.5
215.06992	2.7
215.17975	5.9
217.19496	2.9
241.19548	17.9
259.20557	100.0
260.20898	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	260.0918
Annotation	Tamynine
Peak:m/z	Relative Intensity
54.31530	0.5
55.01871	3.4
55.05515	0.4
60.58739	0.4
62.10204	0.4
67.05495	0.5
69.03429	0.7
69.07077	0.5
71.28908	0.4
72.08137	0.5
73.02949	0.4
75.65463	0.4
79.05474	0.6
80.05025	0.4
81.03423	0.7
81.07052	0.7
84.04530	0.5
85.02898	0.9
87.13906	0.5
88.36692	0.4
91.05470	2.0
93.07067	0.4
96.04427	0.4
97.02876	0.8
98.06060	0.5
103.05465	1.5
105.07036	0.6
115.05466	1.2
117.06993	0.5
120.08096	0.5
128.04982	0.4
128.06189	0.9
129.06987	2.1
130.06534	7.5
131.07265	0.8
141.06979	2.3
142.06473	0.9
143.07300	1.8
143.08542	1.5
144.08112	1.0
146.06036	0.7
152.06223	0.5
153.07013	0.6
154.06494	7.0
155.07266	3.1
156.08090	8.5
158.05972	0.5
158.09634	0.9
163.03848	0.5
167.06166	0.3
167.07298	15.7
168.08084	67.4
169.06476	1.2
169.08676	1.7
170.05995	2.6
170.09644	15.2
172.07533	0.7
176.07043	2.1
181.36542	0.4
182.06021	1.4
182.07603	0.4
184.07576	7.3
186.09134	19.5
187.07610	0.4
187.09439	0.8
188.07036	0.6
196.07573	100.0
197.07977	4.0
198.09126	3.0
200.07082	4.5
214.08620	21.1
215.09035	0.9
216.10222	2.0
230.08116	1.6
230.11972	0.4
232.09639	2.1
242.08105	66.1
243.08406	2.0
260.09143	19.5
260.16687	0.5
261.09573	0.7
261.12408	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.0916
Annotation	Tamynine
Peak:m/z	Relative Intensity
53.35430	0.5
54.31538	0.9
67.01871	0.9
67.05503	0.6
69.03426	1.3
69.48602	0.5
70.07762	1.8
70.53863	0.5
79.05492	0.8
80.05002	1.0
81.26887	0.6
85.02898	1.4
89.76489	0.5
91.05479	6.1
95.05040	0.5
97.02869	0.6
97.06505	0.5
103.05460	1.7
105.07062	0.5
115.05434	0.6
118.90765	0.5
119.05019	0.6
120.08112	1.0
130.06552	1.4
131.04907	2.2
141.06950	1.9
143.07315	1.5
156.08093	8.1
158.06015	0.7
158.09666	1.5
160.07500	0.6
167.07300	17.8
168.08076	42.1
169.06467	0.7
169.08420	1.1
170.06987	1.0
170.09659	1.2
171.93248	0.7
184.07568	6.7
186.09125	9.6
195.06735	0.9
196.07568	100.0
197.08076	5.1
198.06400	0.7
198.09065	0.8
201.05080	0.7
214.08627	11.1
216.07422	1.5
230.08093	0.9
232.09673	2.2
242.08095	88.4
243.08435	2.4
260.06372	1.0
260.09155	16.2
270.83337	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97830	0.4
52.97897	0.4
55.01877	0.8
55.42960	0.4
69.03445	0.9
69.07093	0.6
71.29557	0.8
71.56198	0.4
74.24722	0.4
79.05525	0.8
79.53661	0.4
80.05058	0.6
84.04527	0.6
85.02933	1.3
91.05492	6.1
97.02928	0.8
98.97617	0.5
103.05496	1.7
105.07081	0.4
107.04970	0.5
115.05487	0.5
117.03432	0.5
120.08099	1.9
120.50927	0.5
129.07007	0.7
130.06551	1.0
130.96999	0.5
131.04916	2.4
141.07047	1.6
143.07341	2.0
153.06870	0.5
154.06541	0.8
156.08092	7.7
157.08882	0.4
158.05992	0.7
158.09691	1.9
163.04024	0.4
167.07310	19.3
168.08096	41.6
169.06483	0.5
169.08461	0.8
170.06863	0.5
170.09647	1.3
182.06046	1.1
184.07585	6.5
186.09146	9.7
196.07593	100.0
197.06235	0.8
197.07997	4.4
198.06284	0.7
198.09145	0.7
201.04935	0.6
214.08656	9.1
216.07455	0.9
230.08170	1.0
232.09683	1.2
242.08130	81.7
243.08482	3.7
260.06436	0.7
260.09192	14.6
265.28955	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.0
53.06096	2.6
55.05510	7.6
56.96563	20.0
61.02934	3.5
64.21037	2.6
66.50513	2.5
67.05505	4.1
69.03435	91.7
69.07067	3.9
70.79598	4.9
71.04994	32.9
81.03426	100.0
82.06579	3.9
83.04990	58.2
83.06926	4.2
84.96043	4.8
85.02915	36.2
95.04987	11.0
97.02889	18.3
98.97593	53.8
99.04462	60.1
102.01794	4.5
102.96886	15.1
107.77327	2.7
109.02895	5.5
110.97603	10.5
111.04491	3.2
112.99146	2.9
116.98622	23.7
120.97922	7.6
121.06477	3.1
123.04410	4.8
127.03909	23.6
128.98631	8.9
129.05643	3.0
134.99667	6.9
137.25415	2.5
138.98982	3.3
140.07079	5.7
140.98625	4.6
141.05476	3.9
143.00192	7.0
145.04965	6.7
146.99661	3.4
148.02336	5.2
158.99599	6.2
161.01205	3.1
168.83041	2.3
170.99628	4.4
172.04330	7.3
175.90762	2.7
177.00694	4.5
189.00726	3.9
201.00797	7.1
219.01819	11.8
237.02855	17.9
243.08662	5.6
257.20764	2.8
260.95917	4.1
261.02887	3.1
274.66327	3.4
278.96848	13.6
279.00565	3.7
279.03629	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	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.5
55.05509	13.2
56.33020	0.5
57.03428	1.7
57.07072	4.3
65.03936	2.2
67.05503	42.3
68.45034	0.5
69.07061	13.3
71.04990	2.7
71.08614	1.3
77.03918	1.2
78.73048	0.6
79.05492	57.3
80.05806	0.7
81.07052	46.8
83.04980	1.2
83.08611	6.8
85.06551	3.9
87.18999	0.6
91.05476	32.2
93.07040	78.5
94.07381	0.8
95.04976	3.9
95.08604	34.0
97.06522	3.0
97.10159	1.9
99.08076	2.9
103.05490	0.7
105.04513	1.6
105.07026	21.1
107.04899	0.7
107.08588	50.6
108.08911	0.9
109.06499	2.2
109.10151	14.2
111.08087	3.2
113.09702	0.8
113.41749	0.5
115.05479	0.7
117.07008	6.3
119.08572	16.4
121.10136	42.7
122.10480	0.7
123.08086	1.3
123.11706	4.5
125.09610	0.9
129.06955	0.8
130.07730	0.7
131.08560	16.8
133.10118	13.1
135.11687	32.6
136.12010	0.9
137.09563	1.3
137.13235	0.8
139.11177	0.7
143.08591	1.0
145.10115	15.5
147.11673	10.7
149.09605	1.0
149.13249	27.1
151.11159	1.0
151.14825	0.6
153.12708	1.1
154.86511	0.7
159.11676	10.6
161.13252	11.3
163.11230	0.8
163.14816	16.8
165.12737	1.4
171.11670	0.6
173.13254	8.8
175.14867	4.0
177.16409	4.4
179.14279	1.6
187.14818	6.6
189.16367	1.4
191.14381	0.7
201.16389	3.4
205.15738	0.9
215.17973	1.6
216.46416	0.7
217.19383	0.9
219.17372	0.8
231.11792	0.9
233.22647	0.9
243.21063	26.2
244.21494	0.6
246.13852	0.7
261.22119	100.0
262.22498	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	261.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	0.7
53.03938	3.2
55.01859	1.7
55.05511	12.4
56.83930	0.9
57.03422	1.2
57.07083	3.3
65.03926	2.1
67.05505	40.4
69.07069	13.4
71.04978	2.3
71.08625	1.3
77.40001	0.6
78.34162	0.6
79.05492	59.8
80.46066	0.7
81.07054	46.7
83.04974	1.1
83.08614	7.1
85.06525	3.0
86.09727	4.7
91.04895	1.0
91.05478	27.3
93.07043	78.6
94.07355	1.1
95.04981	3.3
95.08601	33.0
97.06512	3.6
97.10163	3.0
99.08083	4.2
103.05438	1.4
105.04530	1.7
105.07022	19.8
107.08590	48.5
109.06519	2.0
109.10160	14.5
111.08066	2.8
113.09665	1.6
117.07027	6.9
119.08577	16.6
120.08108	13.6
121.10141	41.3
122.10436	1.2
123.08048	1.2
123.11733	4.0
130.07791	0.6
131.08566	16.2
133.10130	14.1
135.08034	1.1
135.11691	34.7
137.09633	1.6
137.13231	1.7
139.11150	0.8
142.02243	0.7
143.08409	0.7
145.10124	15.6
147.11691	11.2
149.09610	1.4
149.13251	25.5
150.13567	0.9
151.11200	1.1
151.14848	0.9
153.12747	0.9
159.08052	0.7
159.11694	10.8
161.13260	11.4
163.11183	1.3
163.14818	19.2
165.12685	1.6
173.13249	11.0
175.14816	4.2
177.12750	1.2
177.16376	4.5
179.14311	1.9
187.14832	7.5
189.16344	0.9
201.16354	2.5
203.17984	1.0
205.15784	0.9
215.18011	1.6
217.19495	0.9
228.97314	0.8
233.16463	1.0
233.22589	0.8
243.21069	26.6
244.21333	1.9
245.88107	0.7
261.22125	100.0
262.18411	0.8
262.22440	3.5
279.81216	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.10191	0.6
53.03942	2.8
55.01874	0.7
55.05511	15.9
57.03429	1.5
57.07079	4.4
58.80853	0.5
58.91651	0.5
61.99450	0.5
65.03937	2.4
67.05505	47.8
68.05094	0.6
68.05830	0.5
69.07069	10.7
69.52773	0.5
69.57942	1.3
69.58330	1.6
71.04986	2.2
77.03925	1.2
79.05494	62.3
80.05836	0.6
81.03423	0.8
81.07056	47.6
81.19673	0.5
83.04985	0.8
83.08618	7.6
85.06544	3.3
91.05480	33.7
93.07043	82.0
94.07364	1.6
95.04951	4.2
95.08606	39.5
97.06513	4.1
97.10169	2.4
99.08099	3.6
105.04513	2.2
105.07027	19.6
106.07339	0.9
107.08593	52.3
109.06525	2.4
109.10154	15.2
111.08092	3.3
111.11714	0.7
113.09654	1.2
116.77034	0.6
117.07015	6.7
119.06059	0.8
119.08581	17.7
120.42321	0.5
121.10141	44.4
122.10434	0.7
123.08060	1.9
123.11735	4.0
125.09608	0.8
129.07016	0.7
131.08577	14.8
133.10124	14.1
135.08051	0.9
135.11691	36.8
137.09610	1.6
137.13249	1.3
139.11256	0.9
145.10121	15.7
147.11685	11.4
147.12772	1.2
149.09608	1.0
149.13261	25.7
150.13583	0.7
151.11143	0.8
153.12662	0.7
159.07913	0.5
159.11688	10.5
161.13251	11.8
163.14812	16.9
165.12759	1.3
173.13246	7.8
175.14813	4.8
177.16449	4.3
179.14299	1.6
187.14832	7.0
188.15387	0.6
189.16368	0.8
201.16368	2.6
205.15869	1.2
215.17964	2.0
217.19437	0.8
219.17375	1.4
233.22585	1.2
243.21088	27.1
244.21346	0.6
261.22131	100.0
262.22491	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	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02383	0.4
53.03942	2.7
55.01869	0.9
55.05511	12.5
57.03434	1.6
57.07077	2.4
65.03938	1.0
67.05502	35.6
69.03793	3.7
69.07066	11.0
71.05003	2.0
71.08631	1.5
74.52721	0.4
77.03925	0.6
79.05490	51.2
80.05828	0.5
81.03420	0.6
81.07053	42.3
83.04993	1.0
83.08617	7.6
85.06538	3.3
85.10204	0.4
91.04887	0.6
91.05478	26.6
93.07040	65.5
94.07369	0.9
95.04967	4.3
95.08603	31.3
97.06538	2.9
97.10161	2.0
99.08084	3.5
105.04504	1.1
105.06309	0.5
105.07026	17.9
107.08591	42.7
108.08914	1.0
109.06509	2.2
109.10152	13.0
111.08078	3.1
111.11707	0.5
113.09634	1.4
117.07034	6.1
119.06087	0.7
119.08578	14.1
121.06539	0.6
121.10140	38.9
123.08042	1.7
123.11713	4.4
125.09612	0.8
127.11085	0.4
131.07558	0.6
131.08560	13.6
132.08884	0.4
133.10132	11.1
135.11688	32.7
136.12044	0.4
137.09619	1.5
137.13245	1.3
139.11182	0.7
143.08580	0.7
145.10110	13.2
147.11691	10.4
147.12607	0.2
147.12874	0.4
149.09615	1.3
149.13255	23.2
150.13577	0.7
151.11168	1.0
153.12766	0.7
159.11673	9.4
161.13260	9.0
162.40219	0.4
163.11156	0.9
163.14816	16.5
165.12711	1.6
167.14320	0.4
173.13258	10.3
175.14813	3.7
177.12718	0.9
177.16348	3.8
179.14326	1.6
182.05080	0.3
182.69376	0.4
187.14804	5.3
189.16423	0.9
191.14369	0.5
201.16386	2.7
203.17900	0.6
205.15910	0.8
215.17961	1.1
217.19537	0.9
219.17534	0.7
220.26376	0.4
233.22678	1.1
243.21071	25.6
244.21399	1.3
261.22122	100.0
262.22458	3.1
269.71271	0.4
273.93381	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70005	0.9
52.38963	0.6
53.03937	3.0
67.05496	0.7
69.03436	3.6
74.67502	0.7
79.05486	1.8
80.05009	2.6
83.04986	0.7
91.05475	12.6
92.05009	0.7
95.04974	0.7
96.04463	1.8
98.23401	1.2
103.05465	19.1
105.07024	1.3
107.04936	1.7
110.06006	0.7
113.02365	2.0
115.05441	1.3
120.08100	2.5
123.11688	0.7
128.06248	1.7
129.07030	0.8
130.06529	9.5
131.04935	1.2
133.06516	1.0
135.07980	1.5
141.07004	1.2
142.06523	0.9
143.08513	3.1
153.06953	3.2
154.06474	0.9
155.07277	1.7
155.08459	1.3
156.08098	1.5
156.09306	0.7
161.05956	0.9
167.07332	0.9
168.08072	5.3
170.09653	17.1
171.08095	0.8
175.11171	0.8
180.08110	1.7
183.06844	2.0
185.09758	0.7
186.09131	1.3
187.07611	0.7
196.07585	14.0
197.08279	1.2
198.09143	100.0
199.09604	3.3
199.11099	1.4
203.10626	1.1
216.10199	71.9
217.10532	4.1
217.12370	1.1
227.10616	1.4
228.91495	0.8
244.09671	1.6
245.11839	4.2
262.10794	16.4
263.13007	3.7
266.90848	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19022	2.3
53.53847	1.4
56.38881	1.8
71.23605	2.2
73.02914	1.8
79.93217	1.7
81.03430	2.1
82.99857	3.1
85.02899	2.0
92.90483	1.6
97.02907	1.7
101.00881	27.9
113.00883	6.4
119.01915	32.8
126.99233	1.7
131.01898	18.5
131.02730	2.4
133.03474	4.1
143.01895	50.9
144.02022	1.8
149.02957	1.8
155.01901	13.4
161.02957	100.0
161.15921	1.7
162.03040	4.1
173.02957	33.2
174.03062	2.1
179.04028	2.2
185.02962	5.1
191.04031	15.4
203.03995	15.7
221.05127	2.4
245.05077	2.8
263.05493	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	263.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27255	0.4
56.96555	0.5
57.03431	0.9
58.49305	0.4
69.03426	1.0
70.99837	0.7
71.04464	0.6
71.43639	0.4
73.02913	0.7
76.24749	0.5
82.99815	3.4
85.02903	1.6
94.93011	0.5
97.02877	2.0
98.97584	1.0
101.00879	28.4
102.00968	0.8
105.00327	0.5
113.00872	9.6
115.02405	1.0
119.01921	30.8
120.02012	1.3
127.02415	0.6
127.03873	0.6
131.01907	22.1
133.03487	3.0
137.02956	2.9
143.01895	54.2
144.02039	1.5
145.03413	0.7
149.02997	2.4
149.04633	0.5
155.01889	14.0
157.03453	1.4
161.02953	100.0
162.03111	3.2
167.01897	1.3
173.02959	33.1
174.03139	1.3
179.04013	1.6
184.04546	1.8
185.02983	5.3
188.30553	0.5
191.03999	20.8
192.04134	1.4
196.04367	0.5
197.02933	1.1
201.12337	0.6
203.03996	17.1
204.04099	0.6
214.05559	0.6
215.04012	1.1
221.05087	3.9
231.10178	0.5
233.05072	1.7
239.06105	1.0
245.05037	1.5
263.06085	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	263.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26586	0.2
58.99875	0.3
68.98289	0.3
69.03433	0.3
70.50788	0.4
70.99847	0.4
72.87967	0.3
82.99828	3.0
84.04510	0.6
85.02905	0.7
85.59794	0.2
86.06070	2.2
86.99348	0.7
87.35418	0.2
98.97585	1.2
101.00885	27.7
102.00988	0.9
105.00402	0.3
113.00877	1.6
114.05524	0.4
115.02457	0.4
115.08699	0.4
116.98648	0.4
118.20247	0.2
119.01927	30.7
120.02029	0.8
120.08118	0.5
130.05009	1.1
131.01909	4.0
133.03468	0.3
137.02940	1.6
142.03485	0.3
143.01904	48.3
144.02023	1.3
145.03455	0.3
149.03004	0.4
155.00179	0.5
155.01907	1.8
157.03448	0.4
158.99654	0.3
161.02962	100.0
162.03087	3.9
165.10252	0.6
173.02971	4.2
179.04036	1.8
184.04520	1.1
184.09673	0.7
185.02991	0.9
191.03998	2.7
197.01244	0.4
201.12387	1.3
203.04016	29.4
204.04207	1.1
221.01732	0.3
221.05141	2.3
245.04982	0.3
263.02911	0.8
263.06152	3.0
268.70724	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76419	1.3
67.05502	1.3
68.35093	1.3
69.03429	1.8
69.49846	3.9
69.50253	3.5
70.06603	8.9
79.54491	1.4
91.05468	1.5
104.99258	4.6
107.04955	1.6
118.65742	1.2
121.06528	1.5
161.02997	2.4
177.11951	1.4
178.89929	1.2
187.08424	100.0
188.08676	2.0
189.10220	1.4
199.10872	2.1
205.09460	3.0
217.09705	5.4
219.10959	2.7
231.07446	2.0
245.09253	5.6
246.07347	10.4
263.10077	24.8
263.13721	4.1
263.16345	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	29.2
57.03449	16.0
57.07082	19.6
61.02915	13.0
67.05496	21.5
69.03408	32.6
69.13908	12.3
69.84322	48.2
70.06583	34.5
79.05489	19.2
81.03437	19.0
81.51260	15.1
83.04995	35.3
83.95519	15.3
85.02894	70.4
85.06533	31.2
87.04477	15.7
87.30822	13.7
91.05471	20.7
93.07041	15.4
95.04958	21.3
97.02879	31.9
101.06023	96.8
103.07612	16.4
104.99290	32.1
105.07004	16.4
107.04985	14.0
109.02872	16.6
119.08614	21.6
129.07132	14.9
133.04994	20.1
143.01843	18.3
145.06421	16.4
147.04453	19.0
161.03018	24.4
161.05986	19.4
163.03937	36.2
214.11058	29.1
227.11784	26.5
235.11273	15.8
245.08266	17.7
245.12909	98.7
263.10245	26.8
263.13971	100.0
263.16595	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	263.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	16.7
63.35452	9.7
64.98986	10.3
69.56849	21.7
69.57246	38.1
79.05454	10.4
85.02906	26.2
91.05511	14.8
101.06011	60.2
105.07050	12.7
109.02906	14.5
112.64645	13.0
117.06996	11.5
121.06499	11.1
149.53510	11.6
149.94528	13.2
180.48524	12.3
187.62517	13.7
214.10985	47.2
245.12881	100.0
263.09500	11.4
263.14044	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1278
Annotation	CHEBI:69325
Peak:m/z	Relative Intensity
50.08488	1.3
50.63430	1.3
53.03936	2.6
54.41719	1.2
55.01850	3.2
55.05497	5.6
57.14589	1.5
59.04996	1.4
62.04572	1.3
67.05511	7.0
68.99773	1.9
69.03435	11.1
69.07064	3.6
70.36477	1.2
71.29575	2.0
71.94745	1.4
72.17999	1.6
79.05494	11.2
81.07061	14.7
83.04984	18.8
83.14883	1.3
85.02910	15.7
85.06525	2.1
87.04437	1.8
91.05485	15.7
93.07034	10.2
95.04955	5.6
95.08615	8.3
97.02891	2.7
97.06536	3.1
103.05453	3.4
105.07026	25.4
107.04951	3.0
107.08593	17.2
109.02878	4.1
109.06512	9.1
109.10149	5.7
111.04427	4.1
111.08099	1.6
113.01578	2.6
113.02366	39.6
115.05450	4.5
117.06999	7.6
118.06508	1.7
119.04903	3.5
119.08590	12.2
120.08101	15.0
121.06499	7.7
121.10135	6.4
122.54208	1.4
123.04411	5.8
123.08041	5.6
123.11699	6.4
128.06204	5.1
129.06987	5.0
131.08560	5.1
133.06511	16.1
133.10126	11.6
135.08052	26.4
137.05980	3.4
137.09624	1.7
141.06964	5.2
142.07776	6.3
143.08516	9.0
144.09348	1.9
145.06477	4.5
145.10120	6.2
146.05942	1.9
147.08058	8.4
147.11659	6.4
149.05954	2.6
149.09598	12.1
151.07516	2.9
151.11169	22.2
153.06990	1.6
155.08643	1.9
156.09329	13.2
157.06491	3.2
157.10106	8.8
157.66550	1.4
159.08051	7.8
159.11688	7.6
160.08847	5.8
161.05986	23.2
161.09595	7.8
161.13316	2.3
163.03883	3.0
163.07603	7.4
165.07057	2.4
166.07758	3.1
169.06445	3.9
171.08049	3.0
171.11668	14.1
172.08801	2.0
173.09624	5.2
173.13275	4.2
174.10439	2.8
175.07533	16.4
175.11166	24.7
176.08348	2.3
176.11803	1.4
177.09061	2.2
177.12720	5.9
178.07784	2.0
179.07005	6.9
181.10114	4.2
183.07922	2.2
184.08795	8.4
185.09618	9.4
186.10310	2.1
187.07516	4.3
187.11127	6.9
188.08318	5.5
189.05464	8.3
189.06966	2.4
189.08992	1.9
189.12698	11.8
193.08603	10.6
197.05995	1.9
199.11191	27.2
200.11528	2.0
202.09882	5.8
203.10663	27.4
207.06523	6.6
209.09680	4.0
212.08318	9.4
215.10683	2.1
217.09760	9.5
217.12218	33.5
218.08305	1.6
219.09129	9.4
221.11737	3.1
227.10689	36.6
228.10956	2.5
235.07576	1.8
235.13290	3.3
245.11720	89.1
245.18871	2.1
246.12094	3.6
263.06952	6.2
263.10403	5.4
263.12784	100.0
263.16156	5.0
264.13077	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	263.1277
Annotation	Shizukanolide F
Peak:m/z	Relative Intensity
50.52507	2.8
51.22934	3.6
53.03937	8.8
55.01864	6.8
55.05502	13.1
57.03442	14.9
65.34299	2.9
67.05502	10.0
68.99807	3.2
69.03427	15.0
69.41922	17.4
79.05487	25.6
81.03439	16.7
81.07048	15.6
83.04983	38.5
83.08606	4.8
85.02906	18.4
85.06536	4.6
91.05480	35.8
93.07034	17.8
94.06588	3.8
95.04951	9.4
95.08611	5.5
96.09320	2.7
97.02879	9.2
97.06509	7.8
102.45939	3.3
103.05510	5.0
105.07028	65.8
107.04971	10.5
107.08598	10.9
109.02869	18.9
109.06477	10.5
109.10159	6.1
111.04424	4.7
111.08057	5.4
115.05476	6.7
116.07116	3.2
117.07001	11.9
119.04969	16.4
119.08566	23.6
120.08102	5.3
121.06493	18.0
121.10114	10.1
125.02338	8.7
125.05943	7.5
127.03909	6.3
128.06186	16.0
129.07019	23.4
130.07726	4.6
131.04938	3.4
131.08553	25.7
133.06477	24.3
133.10103	27.9
135.04395	10.7
135.08043	14.6
137.06032	4.1
137.09586	6.1
141.06972	19.5
142.07762	19.8
143.08566	26.5
144.09366	4.4
145.06482	10.6
145.10147	14.9
146.07211	5.6
147.08026	11.0
147.11639	7.5
149.06046	3.9
149.09615	16.1
150.10373	3.4
151.07558	5.8
153.05455	27.6
153.06850	4.9
155.08578	6.2
156.09334	49.5
157.06494	8.0
157.10129	43.1
158.07240	8.7
158.10823	7.3
159.08018	16.7
159.11697	11.6
160.08832	4.8
161.06012	24.3
161.09619	35.8
161.13281	6.3
163.03853	5.7
166.07739	5.5
168.09407	3.4
169.06468	10.3
171.08018	7.5
171.11688	54.0
172.08922	3.8
173.09602	13.1
173.13264	4.4
174.10365	3.5
175.07521	15.3
175.11166	17.4
176.08287	9.4
179.07040	27.2
179.10625	4.7
180.10141	3.7
181.10095	4.1
183.08083	7.6
183.11688	4.5
184.08850	26.1
185.09613	25.4
186.10391	14.3
187.07480	3.4
187.11153	6.1
189.05453	7.2
189.12689	15.3
197.06035	6.0
199.11156	100.0
200.11511	5.7
201.09090	3.4
201.12752	7.1
202.09862	4.1
203.07010	5.7
203.10629	34.7
205.08644	3.4
207.06517	67.0
212.08284	19.8
215.06926	4.7
215.10558	4.8
217.12254	34.6
227.10722	42.7
230.09319	10.3
235.13239	4.2
245.09132	2.7
245.11699	85.3
263.07040	4.0
263.12769	87.7
264.13181	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1278
Annotation	Jacquilenin
Peak:m/z	Relative Intensity
51.98181	1.5
53.03942	4.9
55.01870	4.6
55.05271	1.7
55.05516	15.4
55.62785	1.7
57.03437	9.0
57.07064	7.9
57.12904	1.9
59.04998	1.7
65.03935	3.0
67.05508	9.5
68.99785	8.9
69.03432	9.8
69.07057	6.6
71.05008	2.5
71.28629	2.4
72.08152	1.8
79.05495	17.3
81.03413	9.2
81.07063	12.3
83.04990	39.6
83.08605	6.6
85.02918	10.7
85.06534	5.0
89.03913	2.1
91.05482	28.3
93.07050	19.3
95.04956	9.7
95.08591	5.5
97.02878	8.4
97.06518	3.9
99.04446	2.1
103.05450	5.5
105.03387	3.8
105.07035	82.7
106.07330	2.1
107.04925	11.4
107.08590	20.6
109.02904	10.2
109.06522	11.1
109.10130	3.7
109.59959	1.5
111.04447	4.3
111.08089	7.6
113.02336	2.0
113.06004	2.8
115.05463	4.5
117.03393	4.6
117.07059	10.3
119.04960	28.3
119.08586	21.1
120.08098	6.7
121.06510	8.9
121.10143	4.9
123.04420	5.1
123.08052	3.7
123.11716	3.9
125.02365	12.0
125.05973	3.0
125.09589	2.7
127.03912	3.5
127.07536	2.0
128.06223	9.0
129.07022	13.4
130.07765	3.3
131.08583	19.6
133.06509	28.7
133.10143	59.2
134.10480	1.9
135.04434	19.0
135.08057	10.0
135.11668	5.6
137.02333	1.9
137.05966	7.2
137.09613	6.1
139.07521	3.0
141.07001	6.2
142.07765	12.4
143.08578	15.5
144.05647	1.9
144.09276	2.3
145.02831	7.1
145.06470	6.5
145.10086	9.9
146.07275	3.3
147.04350	4.0
147.08034	7.3
147.11647	6.1
149.09587	4.7
151.07524	9.6
153.05466	6.6
153.06956	2.7
153.09073	4.5
155.08557	4.1
156.09343	21.6
157.06488	5.3
157.08926	2.0
157.10150	30.2
158.07256	3.6
158.10860	2.6
159.08035	7.5
159.11700	7.1
160.08879	1.9
161.02965	5.5
161.05994	33.5
161.09618	24.6
161.13295	4.6
163.03917	59.8
163.07526	8.9
165.05486	4.3
165.06870	1.8
166.07741	2.0
169.06497	5.1
171.08017	6.5
171.11687	26.5
173.09598	4.4
173.13301	6.6
174.12791	12.5
175.07523	16.2
175.11182	13.2
176.08281	7.0
176.80341	1.8
177.09010	2.6
179.03519	2.4
179.07047	34.6
179.10648	23.2
181.04921	2.0
181.10114	3.0
184.08789	9.4
185.09654	10.3
187.07425	1.9
187.11162	2.8
189.05508	12.6
189.07088	2.5
189.09108	9.5
189.12769	9.0
193.12267	2.8
197.08034	3.0
199.07492	1.6
199.11186	37.7
200.11624	2.1
201.12772	5.1
203.06989	2.5
203.10660	15.8
207.06485	16.8
212.08371	3.5
217.08734	14.9
217.10428	3.3
217.12230	30.4
218.08792	2.1
219.10204	2.5
220.13358	13.1
221.11647	4.1
227.10667	13.1
235.07462	3.5
235.13313	4.2
239.08946	1.9
245.07971	10.9
245.11710	34.2
245.15433	2.2
263.06903	5.9
263.09576	3.9
263.12790	100.0
263.16470	4.4
264.13040	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	263.1278
Annotation	Jacquilenin
Peak:m/z	Relative Intensity
53.03942	4.5
55.01870	5.4
55.05495	8.1
56.54733	2.3
61.56512	2.1
65.03906	2.1
67.05497	12.2
69.03441	13.7
69.07042	4.3
70.30318	2.4
70.30641	5.3
79.05492	12.9
80.05029	2.1
81.03439	3.9
81.07056	15.5
83.04977	24.1
85.02905	17.0
85.06521	3.0
91.05485	21.4
93.07036	13.0
95.04962	10.9
95.08578	5.9
97.06546	5.5
103.05468	8.4
104.05783	4.5
105.07027	33.4
107.04951	7.1
107.08597	22.8
109.02892	6.5
109.06503	9.9
109.10136	6.3
111.04396	3.9
113.02373	36.1
113.33626	2.5
115.05458	7.5
117.07008	10.8
119.04903	4.9
119.08591	15.3
121.06503	10.7
121.10123	4.8
123.04391	4.8
123.08085	5.2
123.11701	5.5
125.05918	2.5
128.06206	5.5
129.06979	9.2
131.08568	14.0
133.06494	18.0
133.10130	10.0
135.08057	26.6
141.06987	4.2
142.07738	4.8
143.08557	14.5
145.06480	6.6
145.10118	8.8
147.04382	3.1
147.08014	7.7
147.11676	6.6
149.05969	2.7
149.09605	15.5
151.07539	7.1
151.11156	20.1
153.06973	2.8
155.08598	3.5
156.09337	20.3
157.06540	3.3
157.10170	12.5
159.08049	9.1
159.11729	8.3
160.08813	3.6
161.05965	23.9
161.09599	10.6
161.13272	4.0
163.03940	3.3
163.07571	8.5
165.07022	2.7
166.07788	4.9
169.06497	3.4
171.07985	2.7
171.10213	3.7
171.11691	14.8
172.08873	2.8
173.09596	8.0
173.13213	3.2
174.10268	3.2
175.07504	16.1
175.11186	25.8
177.09160	3.7
179.07010	8.4
179.08490	3.2
179.10684	4.0
181.10045	5.8
184.08813	9.9
185.09602	6.9
185.13353	2.9
187.07571	5.1
187.11139	8.0
188.08324	5.2
189.05440	6.6
189.09140	3.2
189.12770	12.8
193.08592	10.6
197.07953	3.5
198.09135	4.6
199.09442	31.7
199.11212	33.0
202.09924	4.3
203.10626	20.6
203.14316	2.8
205.08542	3.0
207.06512	4.9
209.09547	4.6
212.08315	7.3
215.10733	3.1
217.10458	17.0
217.12247	35.7
225.17464	2.4
227.10648	38.6
233.11798	2.7
245.11710	88.5
245.15366	5.6
246.12109	3.4
263.07120	12.1
263.10507	3.8
263.12805	100.0
263.16367	8.3
264.12949	3.8
281.09122	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1643
Annotation	3''-Hydroxy-geranylhydroquinone
Peak:m/z	Relative Intensity
50.24104	2.8
53.03944	3.6
55.01868	11.6
55.05511	51.2
57.07087	2.7
67.05496	10.2
67.09025	2.9
69.07065	7.1
69.16756	3.1
69.84723	5.7
69.85115	5.5
79.05486	24.0
81.07057	47.4
82.34228	2.5
83.04980	7.9
83.08147	5.4
83.08619	100.0
91.05476	26.4
93.07043	29.0
94.04200	4.5
95.04948	14.6
95.08617	17.9
97.06529	12.2
98.23393	3.6
104.99283	33.7
105.07034	12.1
107.04950	7.9
107.08584	45.1
109.05777	5.9
109.06515	84.7
109.10149	5.6
111.08081	19.7
113.09693	5.3
117.07049	3.5
119.04945	4.9
119.06077	3.3
119.08609	16.0
121.06531	4.0
121.10138	9.8
123.08083	9.0
125.09634	12.4
128.06114	3.4
131.08594	7.2
133.10141	9.2
135.08012	5.3
135.11655	5.4
137.05986	31.7
139.11160	16.5
143.08553	7.9
145.10086	11.0
147.08083	5.9
149.09647	6.1
151.07388	3.3
153.09073	8.9
157.10130	5.0
159.11684	11.5
161.09628	9.2
163.11197	3.0
171.11670	4.8
177.12712	7.4
181.12296	19.5
185.13190	6.5
187.11153	10.5
203.14302	10.7
205.12303	18.0
217.12132	2.6
221.13412	5.7
221.15283	18.6
227.14188	2.7
245.15378	6.6
263.16129	27.4
263.20291	4.2
275.45758	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2006
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
51.02379	1.0
53.03955	5.9
54.11430	0.7
55.01866	6.3
55.05511	32.5
56.99205	0.8
57.03431	2.5
57.07065	2.4
57.24988	0.7
59.04989	0.8
65.03925	3.0
67.05502	45.9
68.99782	1.2
69.03416	2.1
69.07066	17.9
69.49223	3.6
69.52262	0.8
71.04980	5.9
77.03941	0.9
79.05490	65.4
80.05826	1.4
81.03413	5.0
81.07054	46.8
83.04974	6.4
83.08147	1.2
83.08617	16.3
85.02879	0.9
85.06524	3.3
91.05479	37.4
93.07040	86.9
94.07382	1.3
95.04968	7.5
95.08606	39.2
97.06531	5.4
97.10159	4.8
99.08085	1.7
101.05994	0.9
103.05434	1.6
104.99286	5.3
105.04515	2.8
105.07024	26.0
107.04934	2.6
107.08591	59.8
109.06527	6.0
109.10154	20.3
110.35334	0.9
111.04430	1.5
111.08076	6.5
117.07021	3.3
119.06079	1.4
119.08578	19.8
121.06483	1.9
121.10137	59.0
122.10483	1.7
123.08075	5.2
123.11701	4.2
125.09631	2.3
127.07531	1.0
128.06194	1.1
129.06963	2.5
131.08557	5.5
133.06468	1.5
133.10121	21.5
133.11064	1.6
135.08049	2.8
135.11687	34.1
137.01363	0.9
137.09608	4.3
139.07579	4.1
139.11169	3.8
143.08577	2.0
145.10089	4.9
147.08084	3.9
147.11682	11.9
149.09650	3.6
149.13248	11.7
151.11163	5.9
153.09094	5.4
153.12720	1.1
157.10083	2.5
159.11641	4.2
161.09639	2.6
161.13217	6.6
163.11185	2.0
163.14807	1.2
165.12764	1.6
167.10672	2.2
171.11699	4.3
173.13219	2.4
175.11224	3.0
175.14801	1.3
177.12724	1.3
177.16327	0.9
179.10646	1.7
179.14394	1.1
181.12256	1.0
185.13246	2.5
189.12717	2.3
191.14288	0.9
193.12254	2.2
195.13808	1.8
199.14854	2.1
201.16315	0.8
203.14230	1.2
203.17918	1.8
207.11916	1.3
207.13676	4.3
217.16110	1.1
217.19525	2.6
221.15179	1.6
227.17957	4.4
235.20554	3.2
245.19014	7.5
263.20056	100.0
264.20432	3.1
280.13760	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03939	1.7
55.05511	17.2
57.03428	3.0
57.07076	11.8
60.08157	1.6
65.03946	2.0
67.05507	84.1
69.07070	16.6
71.04999	1.7
71.08630	5.0
79.05499	25.1
81.07059	100.0
82.07397	1.7
83.04975	3.1
83.08617	13.3
85.06548	5.3
85.10185	3.3
91.05488	21.6
93.07050	27.3
95.04969	2.5
95.08607	82.6
96.08947	1.2
97.06541	5.3
97.10183	8.0
98.23510	1.5
99.08115	5.7
104.99282	7.9
105.07034	16.5
107.04903	1.6
107.08588	15.1
109.06515	2.6
109.10161	40.7
111.08092	5.6
111.11697	1.3
113.09608	2.9
119.08588	19.7
120.73277	1.3
121.10150	17.6
123.08051	3.6
123.11717	17.2
125.09598	1.4
127.11224	1.7
128.06216	3.0
131.08574	1.8
133.10129	14.4
135.11682	9.5
137.09578	1.4
137.13272	8.7
141.07144	1.3
141.12704	2.2
142.07762	2.8
143.08542	3.9
145.10103	1.8
145.20686	1.1
147.08046	2.7
147.11702	10.5
149.04651	1.2
149.13268	7.4
151.11134	1.2
151.14845	5.7
155.14209	1.2
157.10118	5.2
161.13260	10.4
163.14818	6.5
165.16443	5.8
171.11671	2.2
175.14815	8.4
177.16431	1.3
179.17970	2.7
189.16406	2.5
192.09346	1.3
193.10106	2.1
205.10179	1.3
206.10912	3.6
207.11731	5.8
208.13261	1.2
217.19328	1.4
218.10878	1.6
219.11708	1.8
220.12529	1.8
221.13254	6.7
233.13202	5.8
234.14125	2.0
235.14748	2.0
240.00566	1.3
245.22650	27.1
248.15572	4.0
249.16278	1.2
263.18289	14.1
263.23700	70.2
264.12198	1.2
264.18674	1.2
264.24063	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
51.11015	1.1
53.03947	1.2
55.05512	17.8
57.03433	2.4
57.07082	13.7
58.30426	1.1
60.11012	1.1
65.03929	3.5
67.05508	90.8
69.07067	18.8
69.55486	6.8
70.25866	1.0
71.04970	1.8
71.08638	6.7
73.94785	1.0
79.05496	25.3
81.07059	100.0
82.07346	1.9
83.05001	2.3
83.08627	12.6
85.06530	4.7
85.10172	3.8
91.05488	19.5
93.07045	26.6
95.04945	3.1
95.08611	91.2
97.06553	8.2
97.10169	5.8
99.08074	5.8
104.99271	4.8
105.07026	13.6
107.08591	17.6
109.06535	2.7
109.10159	44.6
111.08077	4.2
111.11686	1.4
113.09678	2.4
119.08591	13.4
121.09319	1.5
121.10144	19.1
123.08067	3.7
123.11703	18.0
127.11201	1.8
131.08568	1.4
133.10143	15.2
135.11688	10.7
137.09592	3.1
137.13252	8.9
141.12804	1.5
141.91690	1.2
147.08066	1.1
147.11697	10.5
149.13264	8.6
151.11203	1.7
151.14862	8.9
155.14265	1.7
161.13263	10.5
163.14806	9.0
165.16376	8.5
171.00876	1.1
175.14801	8.7
177.16379	2.4
179.14360	1.3
179.17923	2.8
180.92229	1.1
181.15887	1.6
189.16412	4.3
203.17902	2.1
205.19550	1.4
207.45204	1.2
221.13142	1.5
238.41698	1.2
242.94859	1.1
245.22647	29.1
263.18182	2.3
263.23697	69.6
264.23975	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	264.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41771	0.5
51.54850	0.5
53.78728	0.5
56.96566	100.0
67.98186	0.6
71.22762	0.8
71.23106	0.7
71.95281	2.5
72.96051	4.8
74.97614	0.9
81.97952	0.5
83.97632	3.9
84.04493	1.1
94.06544	0.6
98.97584	14.9
104.91582	0.6
110.09741	0.7
116.98616	7.8
118.18327	0.5
122.06010	5.4
122.06840	0.7
130.05002	1.1
134.99638	1.8
139.80754	0.5
142.04951	0.6
144.96831	1.7
151.00665	0.6
156.10214	0.8
162.97884	0.8
163.00670	1.8
165.02214	2.8
165.69849	0.6
167.03828	1.2
168.00920	0.5
169.01715	0.8
176.03838	14.4
177.02209	0.8
178.05403	12.4
179.00153	1.1
181.01744	1.7
183.03299	7.0
186.02220	1.4
190.01807	2.5
192.03355	2.9
194.04907	5.4
196.06439	7.0
197.01204	1.9
201.04341	4.8
202.10744	4.0
202.12515	0.9
204.03311	10.7
205.00520	0.6
208.02817	8.9
210.04393	1.7
215.02214	0.6
216.57721	0.5
222.04373	80.8
223.01526	0.7
223.04695	1.9
226.03882	3.7
240.05428	64.3
241.05728	1.3
243.09966	0.7
245.05983	1.7
264.05429	16.4
265.09888	0.7
279.59695	0.5
282.06427	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92006	0.3
51.98076	0.4
52.08929	0.3
53.03943	1.3
55.05507	0.8
56.96568	0.7
58.29306	0.3
58.99586	1.4
65.03942	2.1
67.05498	2.4
69.03432	1.0
70.99567	1.2
71.28490	0.4
77.03944	0.7
80.05038	0.4
81.03435	0.5
81.04514	0.5
81.07040	0.7
85.01110	1.0
85.02893	1.2
85.06537	1.2
86.01923	0.7
87.02694	1.5
91.05471	0.5
93.07040	0.4
94.06570	10.8
95.04977	1.0
97.02895	0.6
97.06512	0.4
98.97594	0.6
99.02671	2.8
104.04995	1.8
109.06534	0.5
109.10059	0.4
111.04430	0.4
111.16412	0.4
113.02966	0.7
119.08546	0.6
121.02901	0.9
121.07639	0.4
121.91418	0.4
122.06029	71.2
122.07057	2.7
123.06351	0.8
124.07700	0.3
126.03734	1.7
126.09165	0.9
131.08505	0.3
144.04781	8.8
147.07950	0.4
148.06297	1.3
148.24820	0.4
149.05936	0.8
149.07104	13.0
152.05653	1.3
155.06551	0.3
156.04744	0.6
160.07562	0.8
163.04460	0.6
164.05287	0.5
165.06131	0.5
166.03171	0.4
173.07074	0.4
175.08719	0.7
176.09428	1.5
177.10167	0.4
180.04759	1.1
181.04356	1.8
186.07852	0.6
191.06354	0.5
191.11880	0.4
194.06340	2.1
196.07880	1.4
201.10249	4.6
202.11043	1.0
206.06328	1.4
213.10194	2.5
214.11046	0.4
219.05829	2.0
222.05878	2.0
224.07401	1.3
230.06400	0.6
233.07423	2.3
234.08218	28.4
235.08934	2.5
237.10535	1.0
247.08969	5.3
248.07213	0.5
265.10043	100.0
266.10306	3.5
266.13452	0.7
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	Unknow
Peak:m/z	Relative Intensity
50.64869	1.0
51.51207	1.1
52.83873	1.0
53.03940	1.2
53.06372	1.0
54.12037	0.9
54.91943	1.2
55.01867	2.6
55.05501	3.3
58.37028	1.2
60.16462	1.1
65.03939	2.8
67.05485	4.3
69.03421	3.1
69.07055	1.6
69.24051	6.4
71.04961	2.0
71.56033	1.2
73.02923	1.4
77.57264	0.9
79.05502	5.2
80.05021	7.7
81.03416	1.9
81.07038	3.8
83.04972	3.4
85.06538	1.3
86.09708	1.8
91.05479	24.4
93.07023	4.0
94.06565	4.5
95.04976	3.5
95.08596	4.5
105.07028	4.6
106.06559	2.4
107.04933	4.0
107.07306	1.6
107.08586	3.5
108.08124	3.6
109.06499	2.1
109.10171	1.7
112.11229	1.6
115.05437	1.7
119.04939	37.1
119.08590	3.6
121.02792	1.3
121.06522	2.1
121.10179	2.2
122.06033	35.2
122.07031	2.8
127.03942	1.2
131.08578	3.7
133.10120	1.7
135.08051	2.2
135.11726	1.3
143.08369	1.2
144.04762	2.5
145.10115	2.7
147.04408	100.0
148.04741	2.4
149.09566	1.8
151.07462	1.9
159.11740	1.9
163.11163	1.6
165.07027	1.5
173.09596	1.6
175.11235	1.2
189.12762	1.3
190.36624	1.2
191.08591	3.0
191.10594	1.6
194.07285	2.1
201.12802	1.8
205.12041	1.2
209.09665	1.4
219.08026	4.6
223.07500	3.4
229.15810	1.1
237.09030	4.1
237.16119	1.2
247.07449	6.0
247.13272	2.1
247.16869	2.0
248.08058	1.1
265.08557	11.3
265.10120	5.9
265.15244	9.7
265.18008	2.2
266.24765	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	265.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.4
55.01877	2.7
55.05518	3.7
56.51478	1.0
57.03450	1.4
59.04993	1.1
64.26308	1.2
65.03945	3.3
67.05511	6.2
69.03426	3.9
69.07059	3.3
71.04970	2.7
77.47312	1.0
79.05491	5.4
81.03431	3.1
81.07066	5.9
83.05002	4.5
85.02911	1.2
85.06560	1.7
91.05488	29.7
93.07044	6.1
94.06604	1.3
95.04992	5.4
95.08620	4.3
97.02888	1.1
97.06548	2.6
99.04489	1.1
103.05474	1.2
105.07026	8.6
107.03099	1.0
107.04947	5.6
107.08596	6.0
109.06530	4.5
109.10172	2.5
111.04456	2.1
111.08064	1.8
113.02435	1.1
115.05486	1.8
117.07005	3.2
119.04946	34.6
119.08591	8.2
121.06533	3.0
121.10165	3.5
122.06046	12.4
122.06942	1.7
123.08090	3.7
128.06245	1.2
129.06996	2.5
131.08533	5.8
133.06480	1.6
133.10143	3.3
135.08073	8.2
135.11746	2.2
137.09630	4.7
137.98746	1.1
143.08607	1.6
144.05731	1.8
145.06497	2.3
145.10153	4.3
147.04416	100.0
147.08061	2.3
147.11739	2.3
149.05995	1.9
149.09619	2.3
151.07582	1.1
157.10101	2.1
159.08101	2.5
159.11729	5.7
161.09587	1.9
163.07558	1.3
163.11220	2.1
165.09172	3.5
171.04469	1.2
172.08786	1.2
173.09653	3.5
173.13309	4.6
175.07588	2.7
181.06444	1.5
185.33710	1.0
186.91002	1.1
187.11208	4.4
191.06999	1.7
191.08600	3.6
191.10440	1.3
193.08702	1.3
194.07310	3.4
195.08070	2.4
201.12791	3.6
205.06508	1.7
205.12318	2.9
209.09685	3.0
217.12186	1.4
218.07387	1.5
219.08086	4.5
219.13829	3.0
223.07565	4.8
229.12328	2.5
233.06232	1.0
237.09155	6.0
247.07610	8.6
247.13301	3.7
247.16983	2.6
250.06334	1.8
265.05582	2.0
265.08365	21.7
265.14490	4.7
265.18063	3.3
266.24667	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1283
Annotation	Ilicifolinoside A
Peak:m/z	Relative Intensity
61.13741	6.1
67.05489	10.8
69.03416	8.4
70.61023	12.2
81.03432	8.3
85.02888	16.7
85.06548	45.4
94.06576	13.4
97.02927	5.8
122.06040	100.0
122.07050	11.1
144.04721	13.2
167.84401	6.3
174.70169	5.9
189.06000	5.6
213.31062	6.0
220.58647	6.7
228.59941	6.6
265.10162	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1435
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
50.72319	3.0
52.08542	3.3
53.03952	8.2
55.01869	4.8
55.05513	16.7
55.46520	3.4
57.03444	3.6
65.03941	10.5
67.05510	38.0
69.03434	43.7
69.07071	8.1
70.11872	3.4
71.05006	9.6
79.05495	25.5
81.07063	16.0
83.04980	12.7
88.43480	3.9
91.05481	56.0
93.03398	8.9
93.07049	56.9
94.06592	8.7
95.04967	46.4
95.08596	23.3
97.02907	4.9
97.06538	8.8
99.04456	7.9
103.05470	6.3
105.07033	91.5
107.04949	7.4
107.08562	21.5
109.02928	4.2
109.06541	39.3
109.10168	9.5
111.04449	38.0
111.08083	11.8
113.06015	15.3
115.05450	9.4
117.07043	20.6
119.04965	4.1
119.08582	100.0
121.02884	19.0
121.06513	51.0
121.10120	19.5
122.06042	55.5
122.06953	5.1
122.07255	4.4
123.08063	30.8
128.06216	14.1
129.07022	18.3
130.07785	9.0
131.08572	49.7
131.97466	4.0
133.06471	9.0
133.10175	20.6
135.08060	93.2
137.09651	15.7
139.03909	9.8
139.07565	6.6
141.07022	13.1
142.07788	14.6
143.08601	19.2
144.09363	12.0
145.06505	15.3
145.10159	33.9
146.99094	3.7
147.08054	48.7
147.11713	15.8
149.05948	6.8
149.09641	11.3
151.07660	5.1
155.08554	8.9
156.09373	9.7
157.06528	9.1
157.10130	24.4
158.07277	25.5
158.10916	6.6
159.08073	46.4
159.11708	47.9
160.08800	7.7
161.06024	4.8
161.09622	46.6
163.07585	3.8
165.09126	41.9
168.09398	8.1
171.08078	11.5
171.11725	11.0
172.08879	24.5
173.09593	24.3
173.13258	21.6
175.07565	71.4
175.11195	36.2
177.09229	5.4
181.10075	4.4
183.11714	13.0
185.09601	5.2
186.10399	6.7
187.11182	43.5
188.08040	3.7
189.09105	11.9
189.12772	17.5
193.08630	24.9
193.10147	6.9
196.08932	8.6
199.11183	13.8
201.12740	37.0
203.10674	58.0
205.12199	7.1
211.11156	27.0
217.12242	30.7
219.13815	14.1
229.12224	35.3
234.08209	6.3
235.13351	5.3
247.13257	51.3
264.58008	4.1
265.10089	13.0
265.14420	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1434
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
52.80597	1.3
53.03931	2.6
54.81016	1.4
55.01853	3.9
55.05502	5.2
57.03427	1.9
57.07082	9.7
59.04989	4.0
65.03929	3.8
67.05501	12.7
68.99777	4.4
69.03431	9.8
69.07053	6.4
70.34231	1.8
70.34595	4.7
71.04990	3.6
77.03950	1.9
79.05489	14.3
81.03411	4.5
81.07043	11.8
83.04982	13.6
83.08598	4.6
85.02898	3.4
85.06537	4.7
88.81950	1.6
91.05471	22.6
93.03410	2.8
93.06571	1.6
93.07053	21.2
94.06554	4.8
95.04432	1.6
95.04950	10.3
95.08607	12.2
97.06533	10.0
99.02673	1.6
99.04466	1.7
104.92506	1.4
105.07034	16.8
107.04951	8.4
107.08588	31.0
109.02937	1.9
109.06520	26.9
109.10148	6.5
111.04432	4.1
111.08083	14.9
113.02400	2.7
113.06002	2.7
115.05432	5.2
117.07018	18.8
119.04952	2.0
119.07792	2.4
119.08586	31.7
121.02859	2.6
121.06506	27.0
121.10160	12.2
122.05156	2.6
122.06039	43.1
122.06954	2.7
123.04411	4.8
123.08103	7.8
125.05956	1.9
125.09604	6.8
129.06952	3.7
130.31273	1.6
131.08571	8.2
133.06438	2.0
133.10124	10.5
135.07094	3.0
135.08055	48.5
135.11670	10.6
137.05969	2.3
137.09627	2.9
139.03880	6.5
139.07584	3.0
143.08534	3.7
144.04724	3.1
145.06490	13.4
145.10135	8.6
147.04361	2.5
147.08037	6.8
147.11674	4.1
149.05966	6.9
149.09605	6.8
151.07532	18.5
153.09099	12.3
155.08585	1.8
157.10124	4.3
159.08047	2.7
159.11685	14.5
161.09615	7.0
161.13257	2.7
163.07542	36.4
163.11156	5.3
165.09081	6.0
169.10106	1.7
170.10893	2.8
172.08844	3.4
173.05969	2.2
173.09619	3.7
173.13223	7.4
177.12738	9.0
179.03831	1.7
181.06917	2.6
181.08569	24.3
181.10135	2.4
185.13223	2.4
186.10365	4.2
187.11165	14.8
191.07108	9.1
195.08038	3.2
196.08778	1.8
201.12709	9.5
205.12277	18.7
207.10103	2.0
209.06195	2.8
209.08087	37.8
211.11107	2.1
219.08011	1.9
219.13820	5.3
223.07463	2.7
229.05063	1.8
229.12308	9.9
229.15892	1.8
234.08208	3.7
237.09070	3.6
247.13255	14.1
247.16855	4.8
265.09888	13.4
265.14328	100.0
265.17780	3.6
266.14575	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1434
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03939	4.4
54.92200	3.2
55.01880	5.2
55.05495	14.6
65.03934	11.0
67.05502	29.6
69.03430	30.0
69.67876	18.0
71.04978	7.8
79.05498	23.4
81.07066	17.6
83.04971	11.4
85.06540	5.5
88.28117	4.1
91.05470	50.8
92.21214	3.4
93.03400	5.5
93.07032	41.8
94.06542	5.3
95.04959	50.9
95.08595	21.4
97.06570	6.1
99.04448	5.6
102.93360	3.4
103.05504	5.6
105.07026	82.4
107.04926	4.3
107.08578	14.8
109.06506	33.1
109.10156	6.5
111.04438	30.6
111.08068	10.2
113.05988	15.9
115.05441	12.7
117.07009	13.7
119.04967	4.8
119.08578	100.0
121.02865	13.8
121.06502	48.4
121.10126	16.7
122.06033	28.9
123.08071	22.6
128.06258	6.9
129.06992	12.8
130.07750	8.1
131.08554	47.2
133.06468	12.5
133.10127	18.3
135.08047	91.6
137.09630	16.1
139.03893	15.5
139.07524	8.1
141.07002	13.1
142.07780	10.3
143.08559	22.0
144.05713	7.6
144.09329	9.3
145.06444	21.4
145.10097	32.9
147.08061	41.7
147.11638	18.8
149.05954	4.5
149.09584	13.3
151.07567	4.2
153.06996	9.6
153.09023	4.6
155.08527	12.2
156.09384	6.8
157.10130	21.9
158.07343	23.0
158.10811	7.3
159.08064	44.9
159.11690	51.0
160.08749	5.0
161.09607	47.4
161.13269	5.5
165.09108	37.4
167.10657	4.8
168.09312	5.3
169.10014	6.2
171.08006	9.1
171.11690	10.5
172.08832	25.5
173.09581	25.2
173.13243	26.4
175.07545	73.4
175.11176	38.1
181.06432	5.8
183.11717	12.8
185.09676	8.7
186.10397	7.9
187.11188	43.4
189.09116	10.0
189.12746	16.7
193.08578	26.6
193.10126	7.0
196.08806	8.5
199.11194	14.2
201.12724	38.4
203.10634	44.4
205.12111	10.4
211.11206	27.7
217.12210	25.1
219.13805	5.9
229.12170	31.2
235.13315	4.9
247.13264	48.7
265.10132	5.3
265.14304	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	2.5
51.62437	1.5
53.03938	10.6
55.01870	12.0
55.05507	14.3
56.96566	3.8
57.03440	34.6
57.07079	4.2
65.03928	4.3
67.05505	55.5
69.03439	3.1
69.07068	20.5
71.04982	3.0
71.08611	2.7
71.30859	2.9
71.97940	1.8
73.02913	2.1
79.05492	100.0
81.03417	29.9
81.06585	4.0
81.07050	54.9
82.07401	2.0
83.04985	16.0
83.08614	8.3
85.06542	6.8
91.05479	85.6
93.07040	48.1
94.06567	10.2
95.04970	22.7
95.08604	30.8
97.06535	13.1
97.10162	3.1
103.03960	13.5
103.05442	5.1
104.04965	2.2
105.04504	3.0
105.07029	47.6
107.04949	47.6
107.08591	29.3
109.06487	9.2
109.10178	12.3
111.04499	3.5
111.11691	2.3
115.05461	7.3
116.06246	2.4
117.07021	42.8
119.04945	1.9
119.08584	34.8
121.06485	6.9
121.10143	14.8
122.06028	69.5
122.06979	3.7
123.06322	2.1
123.08039	3.4
123.11707	7.6
128.06198	6.0
129.05472	8.4
129.07013	19.8
130.07771	7.0
131.08559	42.7
133.10136	6.1
135.08044	9.3
135.11693	21.1
137.13248	3.3
142.07764	2.1
143.08565	5.2
144.04768	5.4
145.06454	12.2
145.10118	51.5
147.08055	20.4
147.11664	3.7
149.07108	1.8
149.09644	3.0
149.13310	4.5
155.07376	1.9
155.08510	11.1
158.07198	2.8
163.11168	36.6
163.60417	1.9
169.10080	1.9
173.09625	26.9
177.16435	2.0
181.06522	1.8
191.10722	10.8
191.17929	3.2
209.19565	2.0
229.12350	2.9
234.08141	3.3
237.09096	2.5
255.30879	1.9
265.10150	25.7
265.11658	2.5
265.12808	2.9
265.14493	24.3
265.17685	3.6
265.25281	5.9
283.08514	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	265.1434
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
51.02384	2.5
51.62437	1.5
53.03938	10.6
55.01870	12.0
55.05507	14.3
56.96566	3.8
57.03440	34.6
57.07079	4.2
65.03928	4.3
67.05505	55.5
69.03439	3.1
69.07068	20.5
71.04982	3.0
71.08611	2.7
71.30859	2.9
71.97940	1.8
73.02913	2.1
79.05492	100.0
81.03417	29.9
81.06585	4.0
81.07050	54.9
82.07401	2.0
83.04985	16.0
83.08614	8.3
85.06542	6.8
91.05479	85.6
93.07040	48.1
94.06567	10.2
95.04970	22.7
95.08604	30.8
97.06535	13.1
97.10162	3.1
103.03960	13.5
103.05442	5.1
104.04965	2.2
105.04504	3.0
105.07029	47.6
107.04949	47.6
107.08591	29.3
109.06487	9.2
109.10178	12.3
111.04499	3.5
111.11691	2.3
115.05461	7.3
116.06246	2.4
117.07021	42.8
119.04945	1.9
119.08584	34.8
121.06485	6.9
121.10143	14.8
122.06028	69.5
122.06979	3.7
123.06322	2.1
123.08039	3.4
123.11707	7.6
128.06198	6.0
129.05472	8.4
129.07013	19.8
130.07771	7.0
131.08559	42.7
133.10136	6.1
135.08044	9.3
135.11693	21.1
137.13248	3.3
142.07764	2.1
143.08565	5.2
144.04768	5.4
145.06454	12.2
145.10118	51.5
147.08055	20.4
147.11664	3.7
149.07108	1.8
149.09644	3.0
149.13310	4.5
155.07376	1.9
155.08510	11.1
158.07198	2.8
163.11168	36.6
163.60417	1.9
169.10080	1.9
173.09625	26.9
177.16435	2.0
181.06522	1.8
191.10722	10.8
191.17929	3.2
209.19565	2.0
229.12350	2.9
234.08141	3.3
237.09096	2.5
255.30879	1.9
265.10150	25.7
265.11658	2.5
265.12808	2.9
265.14493	24.3
265.17685	3.6
265.25281	5.9
283.08514	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	265.1799
Annotation	Methyl atlantonate
Peak:m/z	Relative Intensity
51.81379	2.7
53.03946	9.0
53.05054	3.1
55.01873	15.8
55.05515	37.9
57.03469	3.6
57.07077	15.8
58.35369	2.6
60.22342	3.1
67.05503	47.2
68.99801	3.1
69.03465	3.9
69.07065	19.5
70.28046	2.9
71.04998	7.5
71.29166	5.3
79.05489	48.5
81.03401	20.1
81.07057	59.9
83.04985	8.9
83.08625	24.4
85.02933	3.2
85.06551	33.6
91.05483	35.0
93.07040	43.5
94.06586	12.9
95.04965	21.0
95.08609	44.7
97.06541	11.9
103.05493	3.8
104.04928	3.7
105.07027	28.9
105.85973	3.4
107.04955	18.8
107.08606	22.3
109.06535	10.4
109.10168	12.8
111.04433	4.4
111.08075	5.1
115.05441	3.4
117.07041	14.6
119.08592	25.1
121.06489	30.6
121.10169	18.9
122.06038	100.0
122.06972	4.2
123.04422	3.9
123.08059	30.2
123.11714	3.4
125.05983	12.3
125.09654	6.6
126.62923	2.8
129.07004	4.4
131.08565	21.3
133.06485	6.7
133.10117	15.4
135.08058	25.8
135.11682	8.4
137.09625	47.4
141.09111	9.0
143.08603	5.8
144.04778	6.7
145.06483	4.3
145.10118	27.7
147.08075	4.2
147.11703	7.1
149.05971	4.6
149.09622	28.6
149.13300	4.0
151.07558	11.0
151.11128	6.7
153.09142	5.0
157.10109	5.6
159.08026	3.9
159.11726	7.9
163.07574	7.7
163.11172	26.1
163.86899	2.9
165.09186	8.3
167.07047	3.1
167.08542	3.7
167.10689	10.7
171.11725	4.8
173.09671	5.5
173.13272	3.9
175.11240	5.2
177.09134	8.0
177.12750	8.0
179.08597	3.4
179.10677	6.6
181.08730	5.3
181.10161	9.3
185.13336	3.3
187.11249	4.4
187.14891	6.0
191.14368	4.5
195.10103	3.4
195.11720	8.4
201.16441	13.3
205.15923	4.4
207.11646	3.3
209.13344	5.4
215.14192	2.9
219.17491	16.5
221.13310	3.3
223.14964	3.9
229.15901	11.8
233.15225	3.7
247.16971	29.3
265.10043	26.5
265.14651	6.9
265.17740	71.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1798
Annotation	Speciosin K
Peak:m/z	Relative Intensity
53.03936	7.2
55.01875	17.4
55.05514	23.3
57.03431	6.2
57.07063	6.4
65.03937	5.2
67.05508	71.4
69.03416	5.1
69.06736	3.3
69.07074	45.0
71.01330	2.9
71.04996	12.1
71.29642	2.4
73.06548	2.5
79.05064	3.4
79.05495	51.5
81.03420	23.3
81.07059	100.0
83.04983	8.9
83.08619	13.8
85.02881	3.1
85.06548	12.7
91.05484	39.7
93.06476	3.6
93.07043	53.9
94.06586	10.2
94.71227	1.9
95.04968	47.5
95.08611	73.3
97.06552	12.4
101.06000	3.2
104.04944	2.6
105.07034	25.8
107.04967	18.4
107.08601	25.2
109.06530	32.9
109.10154	29.4
111.08062	10.8
117.07034	14.5
119.05058	2.1
119.08594	30.5
119.23695	2.1
121.02877	20.9
121.06501	11.2
121.10160	20.5
122.06033	81.8
122.07066	6.7
123.04406	3.6
123.08078	49.9
123.11670	8.2
125.06014	3.7
125.09590	4.4
129.06984	3.9
131.08571	23.7
133.06456	2.8
133.10107	12.9
135.08060	30.2
135.11690	5.8
137.05965	3.0
137.09601	25.7
141.06950	3.4
143.06923	2.1
143.08513	4.3
144.04742	4.8
145.06442	3.9
145.10136	17.4
146.06061	2.1
147.08020	6.5
147.11647	7.7
149.05986	2.5
149.09619	29.4
149.13242	2.9
151.07524	6.1
151.11188	4.2
157.10136	4.9
159.08070	3.2
159.11688	13.7
161.09596	2.8
163.07506	3.5
163.11223	13.0
165.09091	4.9
169.10132	5.5
171.11688	2.3
172.30092	1.9
173.09607	6.2
173.13226	4.1
177.09109	3.1
177.12714	3.0
179.10609	4.6
183.11597	3.6
185.13240	4.3
187.11154	5.9
187.14804	4.7
191.10629	3.7
201.16415	15.5
203.14420	3.9
205.12114	2.6
205.16095	2.1
209.09422	2.2
209.11635	6.5
211.14847	6.5
219.13832	3.0
219.17400	14.7
221.15306	4.2
229.15915	17.1
234.08122	2.6
247.13297	12.8
247.16959	47.8
265.10275	26.1
265.14377	10.0
265.17935	76.9
265.21912	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	265.2162
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
53.03940	1.4
55.05512	7.3
56.36835	0.8
57.07063	2.2
59.35979	0.7
65.03951	2.1
67.05505	100.0
68.05848	1.1
69.07061	8.9
70.38974	2.7
71.05006	1.2
79.05502	13.4
81.03435	1.4
81.07055	91.3
82.07391	1.5
83.04957	1.1
83.08619	3.3
85.06544	7.3
88.30243	0.8
91.05486	4.1
93.07043	12.9
94.06567	3.3
95.08605	79.8
96.08949	1.4
97.06547	1.3
97.10160	2.4
101.05929	0.7
105.07018	4.1
107.08586	7.0
109.06505	1.8
109.10155	62.6
110.10485	1.5
111.08058	1.6
111.11707	1.0
117.06995	1.3
119.08582	2.9
121.10126	6.4
122.05143	1.7
122.06030	29.5
122.07090	2.5
123.08049	1.9
123.11708	25.8
124.12019	1.4
125.05978	1.3
129.06975	1.1
131.08560	4.8
131.55496	0.8
133.10136	3.0
135.11722	5.6
137.09618	1.3
137.13235	6.3
144.04779	2.3
145.10147	4.0
147.11700	2.6
149.09630	2.4
149.13260	3.9
151.11203	1.4
159.11740	2.3
163.11227	2.4
163.14803	2.0
165.12834	1.2
167.10638	1.2
173.13234	2.8
177.12686	1.4
181.12161	1.5
187.14790	1.8
191.14291	1.6
195.11766	1.0
195.13786	2.4
195.44978	0.8
205.15955	1.1
209.15376	3.0
223.14949	1.1
223.16933	1.6
229.19554	2.2
247.20592	4.0
265.10004	8.6
265.18243	3.3
265.21649	39.2
266.21909	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	266.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02906	0.6
53.03944	4.1
55.01864	3.2
55.05499	0.7
57.03402	0.6
57.21447	0.6
61.02918	3.9
65.03924	1.5
67.05499	17.7
69.03427	18.6
69.07054	1.3
69.23785	4.4
70.06590	1.4
71.01335	0.9
71.04984	1.2
79.05482	3.1
80.05015	1.2
81.02932	0.8
81.03412	13.1
81.07066	3.6
82.02922	1.5
83.01320	0.7
84.04485	2.1
85.02907	2.2
91.05479	1.5
93.05764	1.4
93.07072	0.8
94.06541	2.4
95.04959	13.8
96.04485	2.8
97.02290	1.5
97.02890	25.9
98.22639	1.2
99.04434	3.7
105.07019	2.0
107.07306	2.4
108.08103	10.5
109.02885	6.7
110.06078	4.1
112.07553	1.1
122.06017	9.2
122.09651	4.0
123.04411	2.4
123.06332	3.6
124.07587	1.0
125.05978	1.4
127.03900	10.1
129.49980	0.8
135.06783	0.9
136.06172	1.8
136.07555	1.3
140.07060	12.2
148.07512	0.8
150.09138	19.9
151.07632	0.7
152.07060	40.4
162.07773	1.0
164.07053	1.4
164.10738	1.0
166.08635	4.8
168.06624	0.9
174.09056	0.7
178.08624	66.1
179.08887	1.5
180.10196	1.5
190.08609	1.1
192.06520	2.6
192.10193	7.1
193.04950	1.1
202.08568	2.0
206.08116	100.0
207.08455	2.4
218.08086	6.3
220.09715	5.6
230.08130	0.8
236.09158	3.9
248.09167	14.8
266.10254	14.4
266.13663	1.5
279.60416	0.8
289.92636	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77404	0.3
55.05507	0.6
59.04993	0.5
61.02921	1.0
67.05514	0.5
69.03429	1.2
69.19297	2.5
71.05001	1.8
79.05492	1.2
81.03414	0.5
81.07059	4.1
83.08640	0.3
84.04507	1.4
85.02865	0.3
87.04475	1.2
87.08134	0.4
91.05488	1.5
93.07039	0.5
94.04060	1.3
95.04957	0.7
97.02880	0.6
105.07038	0.8
107.08572	0.4
108.04469	0.5
109.06504	0.3
110.70594	0.3
110.72567	0.3
111.04438	0.3
119.03568	2.9
119.08595	1.0
121.06506	0.3
121.10135	0.8
122.05999	0.4
123.06385	0.3
123.08077	0.3
127.78042	0.3
130.05002	1.1
136.06190	100.0
137.04630	1.7
137.06625	0.8
147.08025	0.5
148.05981	0.3
151.07487	0.5
155.26019	0.3
157.10007	0.3
163.11119	0.4
167.07089	0.5
185.13242	0.4
193.08569	0.4
213.12851	0.5
226.69798	0.3
231.13812	0.5
234.13503	18.5
235.13669	0.4
247.03323	0.3
266.16125	41.9
267.16211	2.6
288.35663	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40420	0.2
53.03933	0.7
55.01864	0.2
55.03016	0.2
55.05514	0.5
55.83834	0.2
57.03432	1.1
59.05008	0.8
61.02922	1.3
63.88188	0.2
64.37945	0.2
67.03000	0.2
67.05495	0.2
68.05886	0.2
69.03428	1.0
71.04991	3.9
79.05488	0.5
81.03400	0.8
81.03825	0.2
81.07059	3.9
85.02904	0.7
87.08075	0.4
91.05463	0.2
94.04072	0.5
95.04365	0.3
95.04966	4.2
95.08578	0.2
97.02900	1.5
99.04463	0.7
105.04512	0.3
105.07034	0.2
107.62735	0.2
109.02882	0.5
113.09642	0.7
115.03910	0.2
119.03562	1.9
119.08595	0.2
122.06046	1.3
123.04424	10.1
123.06309	1.0
123.07366	0.2
124.07537	0.2
127.03928	0.8
136.06180	100.0
137.04602	1.2
137.06627	1.3
145.05060	0.3
150.07738	0.5
162.07735	0.6
204.49745	0.2
234.13416	1.3
248.09299	0.2
248.15071	0.9
266.10220	0.9
266.16125	15.7
267.08716	0.6
267.16400	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.5
52.25223	0.2
53.03949	3.8
53.38522	0.2
55.01875	1.1
55.05512	0.5
57.03437	11.3
59.04999	0.5
61.02928	0.9
63.92173	0.2
65.03945	0.4
67.05508	0.8
69.03431	10.9
69.07070	0.6
71.01352	2.0
71.04995	6.4
71.28088	0.4
73.02909	0.5
77.03928	0.4
79.05479	0.6
81.03413	6.9
81.07048	1.4
83.01350	0.3
83.04984	0.9
85.02905	8.4
85.85645	0.3
87.04465	0.7
89.02396	0.5
91.05478	0.7
93.07047	0.6
94.06591	0.4
95.04970	38.6
95.08595	0.7
95.95301	0.3
96.05283	0.6
97.02891	17.6
99.04452	8.1
105.04516	1.4
105.07041	0.9
107.04931	1.6
107.08571	0.5
109.02878	3.6
109.06493	0.5
110.06026	0.4
115.03927	2.0
115.05413	0.3
117.07011	0.3
119.04911	0.5
119.08633	0.5
121.06480	0.4
122.06015	1.5
123.04427	100.0
124.04784	1.7
127.03921	7.1
129.05571	0.3
131.08556	0.5
133.06442	0.4
133.10114	0.4
135.08067	0.5
135.11650	0.3
136.05139	0.5
136.06183	8.4
137.06642	3.5
137.09541	0.3
143.08559	0.5
145.04968	2.2
147.08018	0.5
147.11714	0.3
152.05676	7.1
153.04103	0.7
161.05875	0.3
161.09619	0.5
163.11188	0.6
166.21107	0.3
167.07188	0.4
173.04413	0.4
189.12750	0.4
208.09677	0.5
249.14920	0.4
267.05804	0.4
267.08530	6.1
267.13382	0.8
267.16302	3.0
268.14136	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0864
Annotation	Diaportinol
Peak:m/z	Relative Intensity
51.02386	0.5
52.94190	0.2
53.03948	4.3
55.01878	1.0
55.05511	0.5
57.03439	11.3
60.54131	0.2
61.02929	0.9
62.08517	0.2
67.05505	1.0
69.03430	9.3
69.07066	0.3
69.23929	0.4
69.24332	1.2
71.01354	1.8
71.04996	5.2
73.02930	0.3
77.03925	0.4
79.05501	0.5
79.60448	0.2
81.03416	8.1
81.07053	0.7
83.01362	0.4
83.04990	0.4
85.02905	8.6
87.04478	1.3
88.18896	0.2
89.02383	0.4
89.09115	0.2
91.05495	0.6
93.07049	0.4
95.04968	41.4
95.08630	0.3
96.05276	0.6
97.02892	18.0
98.22652	0.4
99.04455	8.8
105.03398	0.5
105.04500	1.2
105.07018	0.3
107.04951	1.9
107.08546	0.3
108.04491	0.4
109.02886	3.4
109.06540	0.2
110.03518	0.7
115.03941	1.8
116.65602	0.2
117.05478	0.3
119.08577	0.6
121.02900	0.6
122.06050	0.4
123.04428	100.0
124.04764	1.9
124.07594	0.3
127.03920	8.2
130.05048	0.3
133.10077	0.3
135.03035	1.2
135.08070	0.3
136.06186	1.0
140.41335	0.2
145.04953	1.6
147.08025	0.3
152.05672	17.1
153.04095	1.6
154.30151	0.2
161.09651	0.3
173.04460	0.3
175.07513	0.3
175.11215	0.3
203.07111	0.4
249.15019	0.3
250.13005	0.5
267.08621	4.7
267.15881	0.4
268.14017	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1126
Annotation	Miroprofen
Peak:m/z	Relative Intensity
50.96085	0.6
53.03946	0.8
55.05506	2.4
57.03424	1.2
65.03934	2.4
67.05494	3.8
68.05028	1.4
69.03421	0.8
69.24682	1.2
69.25092	3.7
71.04991	3.9
71.93804	0.7
78.03401	0.7
79.05488	2.0
80.04570	1.1
80.05018	19.7
80.05489	1.0
81.07053	4.6
82.06590	5.7
83.04978	1.3
83.08613	2.7
91.05488	4.7
92.05008	5.5
93.05785	8.1
93.07032	2.0
94.06568	3.9
95.04948	1.8
95.08592	2.5
96.04499	0.7
97.06520	0.6
98.22623	1.2
103.05447	1.1
105.07031	3.3
106.06553	2.9
107.08603	1.5
109.06498	1.1
109.10162	1.1
110.06040	9.2
111.08124	0.8
111.73892	0.7
112.77647	0.7
113.05952	0.8
115.05437	3.5
117.06985	3.1
118.06541	39.9
119.08569	2.7
120.04477	1.2
121.10131	2.2
130.06526	100.0
131.06857	1.4
131.08604	1.1
132.08055	0.7
133.10153	1.5
138.05498	64.3
139.05945	0.8
141.98788	0.7
142.06522	3.8
143.07285	5.6
144.04448	0.6
144.08087	20.3
146.06006	78.2
147.06325	1.7
147.11707	2.9
155.06021	1.4
157.10100	1.4
160.07555	1.0
163.11256	0.8
165.09128	0.7
165.12831	1.0
170.06026	6.4
175.11136	0.8
179.14247	0.7
180.08002	0.7
188.07062	74.7
189.07452	3.1
204.08078	0.7
206.08363	29.7
207.09149	17.0
207.13712	0.8
208.09932	1.5
209.11421	0.7
219.09187	1.4
220.09917	1.7
221.10738	38.7
221.15353	2.5
222.11223	2.0
223.12354	1.7
225.14857	0.9
249.14880	1.3
252.08945	10.6
267.11285	50.9
267.15536	4.7
268.11526	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	267.1127
Annotation	Miroprofen
Peak:m/z	Relative Intensity
55.01868	0.9
55.05505	2.7
57.03430	3.1
64.43748	0.8
65.03925	2.1
67.05516	5.5
68.05006	1.5
69.03441	1.0
69.07059	1.6
70.54762	1.8
79.05496	8.0
80.05016	30.9
81.03417	11.9
81.07059	8.4
82.06583	4.1
83.04974	2.5
83.08614	1.6
91.05467	7.2
92.05010	5.3
93.05804	6.2
93.07044	3.8
94.06561	3.7
95.04977	4.6
95.08607	2.9
96.04488	3.2
97.06530	2.3
103.05470	0.8
105.07029	4.3
106.06554	37.8
107.08585	2.0
109.06498	1.3
109.10147	1.4
110.06033	10.6
111.04463	0.8
115.05447	1.9
117.05755	1.4
117.07012	3.4
118.06540	35.6
119.08576	3.1
121.10144	1.7
122.06051	1.0
123.08067	1.1
123.11661	1.1
124.03942	1.1
128.06227	1.2
129.07007	5.9
130.06525	96.0
131.06871	2.6
131.08511	2.0
133.10158	2.4
134.44206	0.8
136.06190	1.8
138.05498	55.0
142.06526	4.3
142.07680	0.9
143.07320	5.8
143.08315	1.1
144.08078	24.7
145.06491	1.0
146.06004	67.9
147.06316	1.8
147.11676	3.7
154.06569	4.8
155.06055	1.3
155.07217	1.4
155.08548	0.9
156.08095	11.9
157.10089	1.4
159.04468	1.1
160.07643	0.9
165.07024	1.7
167.07327	1.7
168.08110	2.3
169.06398	0.9
170.05978	5.0
175.11179	1.8
179.08658	0.9
180.08093	3.1
181.06483	1.4
182.06007	1.5
182.09709	0.9
188.07063	64.7
189.07335	1.1
191.07327	1.9
193.12233	2.3
194.09691	3.4
195.09177	29.7
200.07022	4.4
204.08102	5.8
205.08748	1.1
206.08339	23.8
207.09145	21.7
208.09908	10.1
211.07570	1.2
211.11255	1.3
219.09203	2.6
220.09908	2.6
221.10739	50.9
222.11319	2.7
223.12285	19.7
225.09053	5.9
238.09843	1.3
239.07045	1.0
249.10199	1.8
252.08936	13.7
267.11285	100.0
267.13660	6.6
267.16061	4.6
268.11578	3.7
268.22287	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.159
Annotation	[3R-(3alpha,3abeta,5aalpha,7beta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-3a,7-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03951	5.7
55.01855	2.8
55.05513	9.6
57.03439	21.6
65.03936	1.6
67.05503	15.2
69.03423	2.0
69.07065	5.6
71.04973	1.9
71.28925	1.8
71.52001	1.2
79.05486	14.2
81.03418	100.0
81.07060	14.9
81.19000	1.3
82.03724	1.3
83.04967	4.8
83.08616	12.9
84.45302	1.2
91.05478	21.4
93.07042	9.3
95.04967	22.6
95.08590	5.7
97.02870	2.3
97.06548	1.6
97.10161	2.8
98.98458	1.7
105.07028	18.3
107.04958	5.8
107.08572	4.5
109.06468	2.4
109.10141	2.4
111.04404	1.8
111.08071	5.4
117.07000	2.5
119.04917	1.2
119.08576	15.4
121.06552	2.6
121.10137	4.8
123.08029	1.9
123.11661	2.1
123.49574	1.2
129.07025	7.6
131.08553	7.9
133.06500	2.1
133.10129	5.4
136.06192	2.8
137.09583	1.7
142.07693	2.0
143.08485	1.8
145.10124	2.8
147.08031	2.7
147.09909	1.3
147.11702	7.0
149.09578	4.0
155.08446	1.2
157.10138	11.3
165.12756	2.8
165.80931	1.1
169.10130	2.9
175.11180	8.8
183.11638	2.7
185.13240	1.5
193.12236	20.5
197.13188	3.6
211.11299	1.5
211.13173	3.0
211.14961	1.6
249.14719	1.8
267.15863	38.2
267.20905	12.3
268.16196	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1589
Annotation	Alliacolide
Peak:m/z	Relative Intensity
52.37495	1.4
53.03947	6.4
55.01867	3.1
55.05508	5.7
57.03433	19.5
67.05507	15.3
69.03440	1.8
69.07080	3.0
79.05489	11.8
81.03418	100.0
81.07057	13.8
83.04988	6.1
83.08623	10.7
91.05476	19.4
93.07050	6.8
95.04964	20.2
95.08614	6.0
98.98495	1.7
102.21469	1.4
103.05450	1.4
105.04531	1.4
105.07014	13.9
107.04949	4.7
107.08590	2.8
109.06528	3.6
111.08072	3.7
119.08590	11.7
121.10146	4.7
129.06998	5.8
131.08577	8.2
133.10132	4.0
134.78064	1.6
136.06160	2.5
137.09627	2.0
138.99959	1.7
141.06905	1.5
142.07866	2.5
147.08052	2.7
147.11726	7.2
149.09663	4.7
154.09364	1.6
157.10158	5.7
159.43979	2.1
165.12715	1.8
175.11151	7.4
193.12209	11.2
211.13293	2.3
242.36421	1.5
267.15900	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.159
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03949	2.5
55.01876	2.1
55.05508	9.1
57.03438	18.4
58.43833	1.7
58.89682	2.0
64.44834	1.9
67.05502	10.9
69.03599	7.7
69.04021	9.5
69.07063	4.1
79.05482	12.5
79.76607	2.1
81.03419	100.0
81.07050	12.8
83.04994	3.7
83.08613	13.0
87.62084	1.9
91.05484	16.9
93.06562	2.2
93.07022	9.6
95.04976	24.0
95.08623	4.9
98.23351	4.9
105.07024	13.3
107.04975	5.6
107.08598	2.4
109.06477	2.5
111.08088	5.7
116.05379	2.0
117.07108	2.2
119.08578	12.5
121.10146	2.7
123.08043	2.0
129.07007	8.3
131.08580	6.6
133.06494	2.9
133.10107	3.6
136.06236	2.9
138.22701	1.8
138.87967	1.9
147.08018	2.1
147.11722	9.3
149.09645	5.5
157.10109	9.5
175.11209	6.5
193.12228	18.2
202.75803	2.1
267.15884	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1591
Annotation	6beta,8beta-Dihydroxyeremophilenolide
Peak:m/z	Relative Intensity
53.03940	7.6
55.01865	5.2
55.05512	35.9
57.03438	41.3
57.07065	6.0
65.03922	4.4
67.05507	87.3
69.03471	29.5
69.07073	26.4
71.05000	5.7
71.08617	3.6
79.05495	82.8
80.05018	3.9
81.03422	55.4
81.07057	90.5
82.68266	2.9
83.04989	48.1
83.08620	21.4
85.02888	3.4
85.06541	5.7
91.05482	100.0
92.05817	2.8
93.07047	50.3
95.04974	37.1
95.08605	38.2
97.02907	3.4
97.06519	13.7
97.10190	3.2
97.25426	2.5
99.08109	9.3
103.05425	2.7
105.07027	67.1
107.04967	19.4
107.07985	3.0
107.08597	18.8
109.06508	14.2
109.10163	10.2
111.08082	5.7
115.05447	5.5
117.07012	5.8
118.06549	7.9
119.08575	47.3
121.06516	2.6
121.10167	16.7
122.06042	7.8
123.08087	5.1
123.11727	6.4
129.06999	20.6
130.06517	11.6
131.08571	23.6
133.06494	5.5
133.10136	52.9
135.11655	3.6
136.06215	17.8
137.05995	2.9
137.09596	5.5
138.05499	9.3
141.07002	3.2
142.07742	3.4
143.08591	3.9
144.08124	4.5
145.10133	6.5
146.06030	10.6
147.08061	5.0
147.11691	33.6
149.09616	9.6
151.11191	5.7
157.10147	30.3
163.11220	4.0
165.12791	6.6
169.10074	2.8
175.11156	18.8
183.11719	3.0
183.99202	2.6
188.07088	11.8
193.10655	3.4
193.12236	19.5
195.11826	2.6
197.09760	2.7
197.13335	3.6
206.08441	4.3
221.10840	5.2
249.14728	6.9
249.18443	14.6
267.11160	9.1
267.15802	49.3
267.19611	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	267.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.2
55.01859	7.2
55.05513	31.3
57.03203	2.1
57.03440	29.3
57.07068	2.4
59.04999	2.1
65.03938	5.1
65.17297	1.6
67.05506	66.8
68.05809	2.1
69.03425	2.5
69.07066	21.4
69.46780	1.8
71.04987	4.1
79.05493	69.3
80.05020	2.3
81.03419	39.7
81.07056	74.5
83.04985	60.7
83.08613	10.4
84.05318	2.2
85.02866	1.9
85.06546	4.2
91.05481	100.0
93.07047	36.9
95.04971	19.7
95.08610	24.8
97.02917	6.8
97.06512	9.0
97.10184	3.5
99.08069	5.3
103.05469	1.9
105.07033	60.5
107.04948	35.9
107.08609	10.3
109.06512	5.9
109.10175	3.7
111.08080	2.5
115.05441	2.5
117.07001	6.7
118.06544	4.9
119.08580	35.0
121.10143	9.8
123.08069	3.6
123.11708	3.0
129.07005	16.0
130.06494	10.1
131.08551	18.2
133.06482	3.4
133.10141	34.0
135.07970	1.7
135.11728	2.7
136.06187	4.4
138.05499	6.5
141.06982	3.2
142.07796	3.7
144.08083	2.7
145.10139	9.7
146.06012	7.4
146.07112	1.8
147.08040	5.0
147.11691	34.6
149.09625	6.3
157.10143	22.4
163.11195	12.0
165.07101	3.2
165.12788	5.3
167.08556	2.4
175.11186	17.2
179.08525	2.3
181.06503	2.2
184.09392	1.8
188.07053	8.9
193.12218	12.3
195.08102	2.7
206.08376	2.6
207.08995	2.0
221.10823	4.4
225.05391	2.6
225.09132	6.1
238.09976	3.1
239.07193	1.8
267.10800	6.1
267.13687	15.3
267.15945	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.159
Annotation	Curvularol
Peak:m/z	Relative Intensity
53.03945	8.6
55.01861	8.4
55.05512	29.9
57.03436	36.9
57.54900	1.2
58.95521	1.1
59.04988	1.7
65.03929	6.0
65.43771	1.1
67.05503	80.9
68.05827	1.6
69.03420	4.2
69.03775	1.2
69.07071	20.5
70.45017	2.4
70.45341	1.9
71.04990	6.0
73.06555	1.7
77.97594	1.0
79.05490	78.5
81.03416	36.2
81.07052	63.3
82.07388	1.5
82.64939	1.1
83.04483	2.7
83.04979	54.9
83.08617	11.5
85.02909	1.8
85.06538	4.2
91.05478	100.0
93.07040	38.9
95.04971	27.1
95.08595	24.0
97.02889	3.1
97.06522	6.1
97.10172	2.2
99.04474	1.2
99.08096	3.5
103.05483	1.6
105.04504	1.8
105.07024	58.9
107.04959	16.3
107.08595	10.9
109.02074	1.1
109.06499	10.6
109.10173	2.4
111.04444	2.0
111.08073	4.4
113.06001	1.9
115.05443	3.1
117.07035	5.1
118.06507	1.1
118.91118	1.1
119.08579	35.6
121.01051	1.1
121.06499	2.3
121.10159	7.1
122.06041	1.4
123.04438	1.5
123.08069	4.0
123.11694	1.7
125.09635	2.4
127.07574	2.4
128.06200	2.7
129.06995	18.0
130.06552	4.8
131.08566	22.8
133.06529	3.1
133.10126	46.6
134.10451	1.6
136.06161	2.7
137.09615	1.9
138.05502	3.4
142.07770	4.7
145.10121	3.9
146.06018	4.5
147.08046	5.9
147.11676	23.9
149.09628	6.0
151.07571	1.2
155.08514	1.3
157.10112	23.7
161.09651	1.3
163.11168	6.1
165.09259	1.3
165.12787	3.4
175.11156	14.8
181.06493	2.6
188.07089	5.0
193.12231	9.3
201.99094	1.1
203.14510	1.5
206.08420	1.9
210.10484	1.7
221.10837	2.2
225.09155	2.5
238.09952	1.3
239.14319	1.7
249.15118	1.1
250.05394	1.5
262.07471	1.2
267.11075	2.6
267.13699	4.3
267.16003	30.8
285.10007	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.8
55.01871	7.4
55.05510	34.4
55.05763	2.1
56.67378	1.5
57.03435	39.9
57.07093	3.2
65.03944	2.3
67.05506	80.2
69.03446	4.9
69.07070	23.7
71.05019	6.5
71.29866	2.8
77.03947	1.6
79.05495	78.0
80.05859	1.8
81.02960	1.2
81.03421	40.5
81.07058	75.2
83.04981	52.9
83.05446	3.1
83.08628	10.1
83.99489	1.8
85.06548	7.3
90.62943	1.7
91.05485	100.0
93.07046	43.4
95.04974	27.6
95.05540	2.0
95.08614	27.2
97.02926	3.7
97.06542	13.5
97.07097	2.1
97.10169	2.1
99.08121	3.1
103.04001	1.7
105.07030	62.7
106.07401	2.3
107.04964	18.4
107.08605	9.6
109.06522	12.6
109.10183	7.9
111.08093	4.6
115.05441	3.1
117.07053	5.2
118.06551	2.3
119.08583	37.5
121.10131	9.1
123.08132	4.5
123.11744	3.1
127.07599	4.3
128.06230	2.8
129.07005	23.1
130.06566	2.7
131.08565	24.2
133.06532	3.5
133.10136	54.1
134.10492	2.6
136.06255	5.3
137.09665	2.6
141.07033	2.4
142.07797	7.3
145.10170	6.9
146.06071	3.2
147.08109	5.9
147.11681	27.5
149.09683	5.0
151.07632	1.9
155.08612	3.4
157.10139	24.5
163.11234	4.3
165.07050	2.2
165.12794	4.1
167.08673	3.1
175.11171	19.0
175.12457	1.6
181.06409	2.0
188.07146	2.8
193.10660	2.6
193.12212	12.2
195.07962	2.3
197.09706	2.2
211.11324	2.2
214.51793	1.6
223.07617	4.2
225.09171	6.4
238.10030	4.7
239.14323	3.0
267.07825	3.4
267.10446	5.0
267.13754	16.3
267.16052	36.3
268.10315	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1591
Annotation	Grangolide
Peak:m/z	Relative Intensity
53.03928	9.2
55.01863	9.6
55.05282	2.7
55.05512	33.9
57.03208	2.9
57.03437	34.2
65.03936	28.7
67.05505	87.6
69.03430	14.4
69.07067	24.3
69.26835	14.5
71.05004	11.9
73.06571	2.4
77.03914	2.3
79.05493	61.9
81.03416	88.8
81.07056	94.8
83.04974	33.4
83.08620	37.4
85.02885	4.4
85.06543	17.3
91.05482	82.8
93.03403	24.8
93.07040	46.5
95.04964	48.3
95.08603	37.8
97.02889	16.3
97.06528	20.6
97.10155	2.5
98.22470	2.3
99.04425	3.8
99.08061	3.6
101.06018	2.6
103.03902	2.8
103.05438	4.3
105.07028	67.5
107.04958	16.0
107.08591	24.1
109.06509	19.5
109.10152	24.3
111.04452	22.1
111.08056	10.5
113.05984	7.5
115.05446	4.7
117.07014	6.3
119.08582	52.2
120.08099	4.8
121.02879	33.4
121.06495	8.7
121.08411	5.1
121.10155	27.2
122.06007	3.1
123.04401	10.8
123.08057	12.2
123.11697	12.1
125.05984	3.1
125.09595	2.9
127.07530	4.1
128.06195	3.7
129.05447	3.8
129.07013	20.9
131.08566	21.1
133.06491	4.6
133.10124	44.2
135.08023	6.9
135.11676	6.3
136.06161	9.0
137.09602	7.6
139.03897	16.3
142.07777	7.7
143.08546	6.1
145.10097	15.1
147.08089	13.8
147.11684	62.7
149.06024	3.7
149.09615	12.3
151.07480	2.9
151.11172	5.1
157.04951	2.6
157.10121	27.6
159.08032	2.7
159.11668	9.0
160.18437	2.1
161.09624	7.0
161.13260	8.2
163.07535	3.7
163.11185	7.1
165.09108	4.1
165.12770	16.8
167.08568	2.6
167.10654	2.2
171.11638	3.0
173.09601	6.7
175.11217	25.6
185.13277	3.4
187.14833	2.8
189.12740	5.1
193.12253	22.0
203.14439	4.9
205.12210	9.1
207.10187	2.5
209.11830	4.8
211.13194	3.5
213.12729	4.6
221.15385	4.2
223.13275	7.0
231.10088	2.6
231.13841	7.8
239.06880	3.0
249.14862	19.5
267.06467	3.1
267.15872	100.0
268.16214	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	267.1591
Annotation	6beta,8beta-Dihydroxyeremophilenolide
Peak:m/z	Relative Intensity
53.03940	6.5
55.01878	9.2
55.05510	24.7
56.75232	1.6
57.03437	26.3
57.07060	2.6
59.05032	1.8
64.63346	1.8
65.03942	5.3
67.05503	57.9
68.05828	1.5
69.03430	4.5
69.07069	19.8
71.04996	8.0
79.05490	59.5
80.05039	2.8
81.03411	34.0
81.07056	56.3
83.04978	35.9
83.08616	9.4
85.02932	2.4
85.06548	4.4
86.09694	2.4
91.05481	96.6
92.05788	1.8
93.07045	42.4
94.06583	2.0
95.04969	21.0
95.08601	20.9
97.02879	3.1
97.06513	12.4
99.08101	2.1
103.05491	1.9
105.04535	1.6
105.07026	84.7
107.04969	10.3
107.08618	11.4
109.06518	9.3
109.10133	4.8
111.04456	4.9
111.08092	4.1
113.06008	2.9
115.05456	4.3
117.07020	6.6
118.05799	1.8
118.06554	7.6
119.08578	46.8
121.02867	1.6
121.06513	4.5
121.10113	9.5
122.06094	2.6
123.08076	4.1
123.11725	2.5
125.01452	2.2
125.09623	2.0
127.07597	2.3
128.06261	2.2
129.05472	4.6
129.07010	19.7
130.06549	15.8
131.08551	28.4
133.06514	5.7
133.10130	100.0
134.10477	2.8
135.11696	3.4
136.06192	6.1
138.05478	9.7
138.28596	1.6
141.06998	2.1
142.07797	7.7
144.08083	2.8
145.10138	6.2
146.06021	12.7
147.08055	9.4
147.11685	70.0
148.12021	2.6
149.09624	4.8
151.07527	1.9
154.12259	4.2
157.06525	2.0
157.10120	31.8
163.11194	4.9
165.07016	2.6
165.12793	2.6
168.13857	7.3
175.11179	62.9
180.70255	1.8
181.06517	2.7
182.11809	6.1
188.07048	12.0
193.12248	15.2
196.13330	7.1
206.08432	5.8
207.09250	2.1
210.06821	1.9
221.10750	6.9
223.07475	3.0
225.09090	6.0
238.10046	3.1
249.14899	5.1
252.08981	2.2
267.10989	8.9
267.13690	9.3
267.16006	36.4
267.20786	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	267.1955
Annotation	OPC-6:0
Peak:m/z	Relative Intensity
53.03944	3.3
55.01874	2.4
55.05509	11.9
57.03428	6.3
57.07072	4.1
67.05506	20.4
69.07064	6.7
69.63705	7.7
71.04965	1.8
71.08633	100.0
79.05499	12.2
81.03427	13.3
81.07062	15.4
83.04990	9.1
83.08620	5.6
85.06543	3.1
91.05483	20.9
93.07034	10.9
95.04982	8.5
95.08589	8.5
97.06536	3.4
98.22697	3.1
99.08093	80.5
105.07039	10.2
107.04959	18.5
107.08580	5.6
109.06512	5.4
109.10156	2.2
117.07013	2.8
119.08587	9.0
121.10152	4.1
122.06042	2.6
129.06978	4.7
131.08563	4.9
133.10167	11.9
135.08044	6.5
136.06218	8.4
143.08466	2.4
145.10136	2.8
146.99651	1.9
147.11684	4.9
149.06038	3.1
149.09624	21.7
151.11191	29.4
157.10132	4.8
161.09637	5.7
161.33112	1.8
167.10661	2.2
169.10074	1.8
175.11217	1.6
183.11641	3.6
188.46492	1.7
193.10191	2.0
193.12215	1.9
209.13354	2.6
211.11249	2.5
223.14833	3.7
225.12773	2.3
225.16426	1.9
231.17430	4.7
249.18613	8.4
267.13605	2.5
267.17709	11.2
267.19812	2.9
273.07132	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1041
Annotation	Adenosine
Peak:m/z	Relative Intensity
53.50196	0.1
55.01870	0.5
57.03431	0.5
66.45839	0.1
69.03429	0.3
69.45592	0.7
72.65924	0.1
73.02924	0.3
76.18001	0.1
85.02898	0.4
94.04037	0.3
109.05180	0.2
118.61414	0.1
119.03551	1.0
126.05501	0.3
129.67111	0.1
133.04987	0.3
136.06192	100.0
137.04662	0.3
137.06656	1.1
218.89072	0.2
243.24368	0.1
268.10419	4.3
269.10730	0.2
289.63437	0.2
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	Unknow
Peak:m/z	Relative Intensity
55.01867	0.3
57.03438	0.6
60.35475	0.1
61.25080	0.1
66.27504	0.1
69.03451	0.2
69.45325	0.2
69.45737	0.5
73.02934	0.3
80.05032	0.3
82.06563	0.2
83.03127	0.2
85.02907	0.5
90.71103	0.1
94.04057	0.3
98.06093	0.2
98.22545	0.1
115.03941	0.2
119.03555	1.1
126.04665	0.2
126.05518	2.6
133.04977	0.2
136.06192	100.0
137.04625	0.3
137.06616	1.2
164.49100	0.1
181.58589	0.1
199.56163	0.2
204.84956	0.2
268.10382	5.0
269.10834	0.3
289.18359	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.9984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79338	0.4
56.65121	0.3
70.69193	0.4
70.69504	0.6
80.65716	0.4
83.00244	0.3
89.11665	0.3
91.77390	0.3
102.57262	0.3
104.99276	100.0
105.99641	0.6
111.13987	0.4
186.99557	15.4
191.10336	0.4
222.07399	0.4
257.12326	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.6
54.46363	0.5
55.01858	0.7
55.05496	1.0
57.03443	5.3
67.05498	1.3
69.03432	0.9
69.07060	0.5
70.06584	0.5
70.96181	0.6
71.04978	1.6
71.28278	0.7
75.04484	1.3
78.04686	0.7
79.05493	1.3
81.03431	0.7
81.07051	2.5
83.04963	1.6
84.08129	1.0
89.03920	11.6
91.05485	3.2
93.07041	1.6
95.04978	1.4
95.08620	1.2
103.05469	1.7
105.07011	1.3
106.04184	1.0
107.04946	0.7
107.08605	1.5
109.06516	1.2
109.10117	0.9
117.03375	30.5
117.06995	0.6
119.04926	1.2
121.06504	1.3
123.08039	1.0
125.05968	0.7
129.06982	0.9
131.04880	0.8
131.08560	1.2
133.10138	0.7
134.03607	3.3
135.03020	0.8
135.04382	4.0
136.03270	0.6
137.09674	0.5
144.05684	0.9
145.02838	62.7
145.10201	1.0
146.03154	1.4
147.04427	1.2
149.05977	12.1
149.09537	0.8
152.05667	11.0
153.04030	1.5
153.06134	8.0
154.04379	0.9
159.08028	0.9
162.03104	2.3
163.03870	4.2
166.03253	0.8
175.03922	0.8
177.05463	100.0
178.05833	2.3
187.07552	1.3
191.10599	0.7
192.53735	0.6
194.05573	0.7
195.06555	6.1
195.08125	0.9
197.06023	0.7
205.21732	0.6
215.07037	2.8
219.06573	1.7
221.07892	0.6
223.08765	2.6
223.14542	0.6
233.07939	0.7
241.08577	0.8
251.08990	3.2
251.16116	0.9
252.15953	1.1
269.09280	4.7
269.14307	3.7
269.17245	0.6
270.16953	1.3
293.88608	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68523	0.6
53.67026	0.6
54.83974	0.6
55.05503	0.8
57.03439	6.6
57.46442	0.5
67.05495	1.1
69.03410	0.7
69.07048	0.6
70.06602	0.9
71.05003	0.9
75.04472	1.1
78.04705	0.8
79.05479	2.2
81.07050	3.2
83.30026	0.6
84.08141	0.6
89.03909	14.6
91.05476	3.2
93.07028	2.2
94.60458	0.6
95.04967	2.1
95.06072	0.7
95.08585	1.3
97.06542	1.3
103.05458	1.7
105.07021	1.3
106.04194	0.7
107.04942	0.8
107.08598	1.0
109.06529	1.1
109.10148	0.8
117.03374	33.2
117.07045	0.6
119.04900	1.1
119.08534	0.8
121.06503	1.2
121.10162	0.7
121.73640	0.6
123.04404	0.5
123.08052	1.6
125.09610	1.3
127.46291	0.6
129.06952	0.7
131.08505	0.7
133.02847	0.9
134.03612	4.6
135.02989	0.8
135.04427	3.5
136.06143	0.6
143.08603	0.7
144.05695	0.8
145.02838	63.5
146.03229	1.3
147.34111	0.6
149.05974	13.2
149.09598	1.0
152.05669	11.5
153.04015	0.9
153.06146	8.1
158.06012	0.6
162.03133	3.0
163.03903	5.0
169.06491	0.7
173.09550	0.6
175.03896	1.0
177.05458	100.0
178.05846	2.7
186.05527	1.0
187.07530	1.0
193.04955	0.9
194.05461	0.9
195.06586	4.5
203.07193	0.7
213.05322	0.7
215.07043	2.5
215.72043	0.7
219.06514	1.1
221.08173	0.6
223.08900	0.9
233.07953	0.7
251.09052	3.8
251.13115	1.6
252.15952	0.9
269.04291	1.0
269.09866	3.3
269.14258	3.6
270.16895	1.0
279.40308	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02976	1.1
55.05492	0.7
60.24205	0.6
67.05511	1.2
68.05016	0.8
70.06594	100.0
71.04975	0.8
71.06911	0.8
71.27966	0.8
72.08161	8.6
79.05493	1.1
80.05025	1.6
81.03436	0.9
81.07079	0.7
82.06593	1.6
84.08147	2.2
91.05501	1.5
93.07048	1.0
94.06578	1.3
95.05007	1.1
95.08609	0.7
96.04509	1.3
97.07662	4.0
99.89989	0.6
105.04527	0.6
106.89085	0.6
110.07210	1.1
112.08733	30.8
112.79329	0.6
114.10293	11.7
117.07073	0.7
126.05556	0.9
128.07092	0.7
134.09647	10.0
136.06203	2.2
136.10014	1.2
137.06567	1.4
147.04364	0.6
147.09216	1.4
149.10782	1.3
151.12315	1.7
176.11827	3.9
193.14481	12.3
205.13470	1.7
251.13927	1.4
268.97794	0.8
269.15488	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	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.96725	1.6
53.03945	3.8
54.67130	1.5
55.01884	1.9
55.05513	24.6
57.03161	2.5
57.03442	31.5
57.07079	4.8
67.05509	74.1
69.03445	1.8
69.07074	29.9
69.34605	9.3
71.04993	5.4
75.36472	1.7
79.05499	50.4
81.03421	2.7
81.07062	100.0
82.07393	2.0
83.04976	10.3
83.08617	21.2
85.06559	5.5
89.29903	1.4
91.05482	26.2
93.07053	68.6
95.04964	10.3
95.08614	26.3
97.06538	18.4
97.10149	3.9
97.11858	1.5
98.23325	3.0
99.04475	1.5
99.08104	3.9
105.07027	15.7
107.08605	34.3
107.09303	3.3
109.06528	4.5
109.10168	6.7
111.08095	9.1
115.05494	1.7
117.07014	10.6
119.08607	4.5
121.06469	1.8
121.10149	18.3
123.11704	4.3
129.07056	1.7
131.08586	14.0
133.10161	13.9
135.08018	2.0
135.11703	11.5
136.06194	2.1
143.08632	2.4
145.06525	1.6
145.10181	2.9
147.11667	2.1
149.09612	2.4
149.13263	34.7
149.14470	2.0
151.11168	2.9
157.06473	1.6
157.10110	3.7
159.11702	21.7
167.08543	2.6
173.06061	2.0
177.12787	9.0
191.07063	4.3
195.13841	16.0
197.09804	1.9
225.09204	1.9
227.07091	1.5
269.08167	7.8
269.11688	14.3
269.15173	2.3
269.17441	45.5
269.22333	3.5
287.20926	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Kobusimin B
Peak:m/z	Relative Intensity
51.02660	1.7
53.03944	3.5
53.91179	1.6
55.01879	2.6
55.05512	27.9
57.03440	1.8
57.07076	10.4
58.64803	1.6
65.03934	5.1
67.05505	92.4
69.03416	8.1
69.07069	72.4
70.55841	3.2
71.04992	26.6
71.08179	1.5
71.08622	4.4
79.05061	3.1
79.05492	35.7
81.03421	2.9
81.07059	92.4
83.04977	6.1
83.08624	19.2
84.08150	1.9
85.01131	6.4
85.06545	15.1
85.10178	1.8
86.09672	2.4
87.04475	1.8
91.05480	23.7
93.07044	50.0
95.04967	21.7
95.08607	100.0
97.01126	2.0
97.02889	51.4
97.06523	12.7
97.10156	11.3
99.04455	3.6
99.08075	2.9
105.07029	15.4
107.04984	2.2
107.08592	32.3
109.06500	8.1
109.10161	65.8
111.02656	3.7
111.04449	19.5
111.08076	7.5
111.11728	12.6
113.06006	7.5
113.09663	1.8
117.07010	6.9
119.08577	17.5
121.06529	4.5
121.10148	47.6
121.11028	3.5
123.08073	9.8
123.11710	23.6
125.04228	2.8
125.06007	4.6
125.09631	4.8
127.03937	2.8
127.07528	4.2
128.06210	2.0
129.03670	2.9
131.08539	11.2
133.10129	18.8
135.08046	7.3
135.11691	35.7
137.05962	1.9
137.09622	12.4
137.13261	4.9
139.07515	2.6
139.11160	5.0
141.05453	1.8
143.08560	1.8
145.10124	11.9
147.11656	10.1
149.04268	2.6
149.09615	9.0
149.13260	11.8
151.11220	5.0
153.06973	2.5
153.09123	3.8
153.46298	2.0
155.10669	1.8
157.05016	13.1
157.10103	3.7
159.11661	7.1
161.13223	5.3
163.11185	4.2
167.10692	3.5
169.10118	2.7
173.13274	7.4
175.11186	2.8
175.14793	2.2
177.12727	2.8
183.10178	5.0
187.14819	4.6
189.16342	3.9
191.17946	27.3
193.12212	4.1
197.05965	2.0
205.15926	2.2
205.19420	2.9
207.13791	2.7
209.05937	4.9
209.18985	17.4
215.14362	2.7
215.17892	15.7
225.14827	4.3
227.20094	2.2
233.15353	5.0
233.19035	8.6
241.09471	2.6
251.10881	2.2
251.16386	30.7
251.20132	15.5
254.53563	2.2
269.09009	3.7
269.12039	10.2
269.17587	5.4
269.21106	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	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
52.48771	1.1
53.03924	4.1
55.01856	3.1
55.05510	26.5
57.03437	35.4
57.07070	5.2
59.94590	1.0
65.03915	2.8
67.05505	78.5
69.03424	1.6
69.07070	29.9
70.02002	3.3
71.05001	8.8
73.02898	1.0
77.03948	1.2
79.05492	48.1
81.03389	2.2
81.07054	100.0
82.07374	1.8
83.04572	0.9
83.04978	11.9
83.08612	20.4
83.29095	1.2
85.06546	6.5
91.05484	27.4
93.07042	70.5
95.04940	8.2
95.08598	24.8
97.05935	1.0
97.06521	15.2
97.10150	2.4
98.23315	1.1
99.08057	3.1
105.04475	1.1
105.07032	12.2
107.04923	1.1
107.08591	35.2
109.06490	3.3
109.10146	4.9
111.08064	8.3
117.06342	0.9
117.07025	11.5
119.08524	3.4
121.06483	3.0
121.09319	1.4
121.10139	19.1
123.11700	3.8
129.07004	1.5
131.08551	13.8
133.10127	14.0
135.08066	2.2
135.11694	12.3
139.07568	1.1
139.11159	2.2
147.11691	3.1
149.13257	41.4
150.13556	1.5
151.11185	1.8
153.14258	1.0
157.10193	1.5
159.11691	19.0
165.12653	1.4
166.42712	1.3
167.14290	1.7
169.10117	1.3
175.11186	1.0
177.12740	9.7
195.13771	12.3
213.14621	1.3
257.95508	1.0
269.17395	47.3
278.23120	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73847	1.0
53.03931	4.4
55.01871	5.4
55.05515	24.1
57.03441	35.1
57.07069	3.0
59.04984	1.6
59.95867	1.1
65.03922	2.4
67.05508	78.0
69.03428	1.5
69.07069	32.4
71.04999	7.7
71.08646	1.9
77.03921	1.4
79.05499	46.4
81.03416	2.7
81.07061	100.0
82.07408	1.4
83.04984	10.3
83.08620	18.6
85.06526	5.2
91.05483	28.7
93.07047	72.6
95.04964	8.1
95.08607	26.9
97.06538	18.7
97.10149	2.7
99.08060	4.8
102.53851	1.1
105.04545	1.3
105.07033	11.2
107.04968	1.3
107.08600	33.5
109.06511	2.8
109.10144	7.5
111.08075	10.4
117.07019	8.7
117.54245	1.0
119.08595	6.4
121.06478	2.2
121.09312	1.3
121.10143	17.1
123.08053	1.7
123.11648	4.3
129.07021	1.8
131.08574	12.2
133.10147	10.0
135.08041	3.0
135.11702	11.0
137.13187	1.1
143.08456	1.8
145.10048	1.7
147.11662	1.7
149.09613	1.3
149.13266	42.1
151.11177	2.0
153.07014	1.2
157.10109	1.3
159.11703	20.3
161.13190	1.5
165.06923	1.2
165.09950	1.0
169.10066	1.8
171.11719	2.4
173.13116	1.6
177.12737	9.6
179.14272	1.2
183.11671	1.6
195.13808	13.9
197.13142	1.3
197.96144	1.3
213.14714	1.8
269.17401	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	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03943	5.0
55.01857	3.5
55.05513	23.4
57.03168	1.7
57.03439	32.2
57.07052	2.5
65.03924	2.8
67.05504	74.4
69.03407	1.4
69.07066	23.3
69.51814	2.9
69.52223	2.0
71.01349	0.8
71.04987	7.0
73.06568	0.9
79.05491	51.3
81.03410	2.3
81.07055	100.0
82.07347	1.0
83.04980	11.9
83.08614	16.5
85.06532	5.5
91.05480	27.9
93.07043	68.6
94.07362	1.0
95.04968	7.5
95.08603	24.3
97.06534	15.6
97.10146	2.3
99.08072	3.7
103.83778	0.8
105.04505	1.8
105.07030	10.0
107.04969	0.9
107.08594	34.4
109.06525	3.9
109.10159	4.7
111.08074	7.5
113.05981	1.7
113.09598	1.2
114.72195	0.7
115.05397	0.9
117.07008	13.3
119.08560	2.1
121.06498	2.1
121.10143	16.4
123.08091	1.1
123.11700	5.0
131.08554	13.3
133.10127	16.7
135.08020	1.3
135.11694	11.4
139.11182	2.8
147.11610	1.6
149.09595	2.0
149.13254	38.2
150.13605	1.3
151.11163	3.6
159.11681	23.7
160.11963	1.0
161.13277	1.0
177.12747	11.9
195.13805	13.5
209.16560	0.8
213.14746	0.8
269.17432	49.5
270.17746	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.0
52.97262	0.9
53.03926	4.2
55.01850	3.2
55.05512	23.5
57.03438	31.2
57.07048	3.7
59.04976	1.3
65.03926	3.0
67.05505	76.1
69.03413	1.3
69.07067	25.7
69.53573	5.9
71.04987	7.2
71.08624	1.2
77.03899	1.1
79.05492	45.0
81.03400	2.5
81.07058	100.0
82.07391	2.1
83.04988	11.3
83.08167	1.0
83.08620	18.3
85.02847	1.1
85.06528	5.2
91.05482	27.3
93.07044	67.2
94.07403	1.1
95.04958	8.6
95.08606	26.1
95.71569	0.9
97.06537	17.5
97.10154	1.0
98.22623	1.5
99.08071	3.6
100.43175	0.9
100.80161	1.1
105.04522	1.4
105.06397	1.1
105.07032	10.9
107.08595	36.6
108.08908	1.1
109.06493	2.6
109.10139	4.3
111.08080	6.7
113.09550	1.6
117.07027	10.4
119.08530	2.7
121.06514	1.4
121.09300	1.3
121.10138	17.6
123.11678	3.8
127.98493	1.0
129.06920	1.1
130.26416	1.1
131.08569	13.6
133.10152	14.0
135.08005	2.0
135.11697	11.4
136.06174	1.7
139.11183	1.5
143.08548	1.7
145.37227	0.9
149.13257	36.0
150.13614	1.2
151.11066	1.2
155.08470	1.0
155.10619	1.0
157.10092	1.6
159.11685	21.1
161.13173	1.1
167.08545	1.4
167.14258	1.5
171.11693	1.0
177.12753	10.9
179.14355	1.2
194.33044	1.0
195.13802	15.8
197.13052	1.2
211.14748	1.8
213.14755	1.2
251.20015	1.4
269.17377	50.0
270.17651	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.175
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03944	5.5
55.01865	2.5
55.05515	23.4
57.03444	32.7
57.07051	4.0
65.03915	2.2
67.05507	76.2
69.07075	30.4
69.99765	1.8
71.04993	5.4
71.29792	2.2
76.04042	1.7
78.29736	1.7
79.05494	49.5
81.03424	2.3
81.07060	100.0
83.04984	14.1
83.08618	20.5
85.06538	5.4
90.18449	1.8
91.05483	26.6
93.07050	69.5
95.04956	5.8
95.08611	27.8
95.09190	3.2
97.06538	14.0
99.08092	5.1
100.74624	1.8
105.04478	2.1
105.07029	11.7
107.08596	36.1
109.06507	2.0
109.10162	3.4
111.08086	9.4
117.07033	12.5
119.08575	3.1
121.06521	2.9
121.10144	20.1
123.11706	3.5
131.08559	13.9
133.10144	10.9
135.08041	2.7
135.11708	10.5
136.06128	2.5
142.07747	2.4
145.10153	2.3
149.13258	39.4
151.11153	1.9
159.11687	19.1
167.14285	1.9
171.11687	2.0
177.12779	9.5
185.13281	2.7
195.13832	9.7
269.17383	45.7
272.39047	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53759	9.8
67.05512	12.0
68.45029	9.6
71.29761	13.4
79.05494	37.4
80.71659	8.8
82.43018	10.3
87.00821	76.6
91.05496	23.6
103.05466	94.8
107.04955	64.8
115.33380	10.3
121.06520	100.0
131.04913	96.3
131.17195	9.2
145.60306	9.7
149.06004	80.4
165.06969	16.3
192.21762	9.7
207.06488	61.1
226.67236	10.0
235.06210	15.6
253.23790	11.0
270.16891	18.6
271.05997	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	271.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	5.6
53.03934	1.3
54.72957	0.5
55.01870	5.1
55.05501	2.0
57.03438	13.2
63.06432	0.4
65.03931	0.6
67.05505	7.0
69.03421	1.1
69.07059	0.6
69.98060	1.4
69.98470	0.9
70.06583	0.6
70.11279	0.5
71.01355	2.5
71.04969	0.9
73.02914	3.3
77.03915	0.9
79.05489	52.3
80.05829	0.7
81.03413	1.4
81.07050	7.2
82.87473	0.5
83.01325	0.6
83.04958	1.3
84.41949	0.5
85.02898	1.0
86.87206	0.5
91.05479	15.8
93.07040	3.6
94.99325	0.5
95.04985	3.3
95.08607	7.0
97.02891	1.0
97.06528	1.9
98.97572	0.5
99.00810	24.7
99.04395	0.5
99.08099	1.4
101.59637	0.5
103.05479	2.8
105.07026	100.0
106.07362	1.8
107.04934	3.6
107.08585	12.4
109.02872	1.4
109.06542	2.4
109.65823	0.5
115.03897	0.8
115.05441	3.6
117.07040	1.1
121.06520	0.6
123.04443	1.1
123.08047	6.4
125.09667	0.5
131.08562	0.6
133.06483	39.9
134.06842	1.0
135.04431	2.1
135.08044	4.7
137.06007	1.9
141.07004	0.6
149.05975	0.9
151.07536	52.3
152.07906	1.2
153.07001	1.0
153.09143	0.7
155.08524	0.7
161.06026	0.9
161.09610	0.5
165.07018	2.0
177.05516	1.1
179.07071	4.2
183.08069	1.4
183.38387	0.5
193.06451	0.7
197.08139	1.2
211.07637	1.0
215.09149	2.1
253.10594	0.7
271.06000	3.3
271.11819	23.6
271.17407	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	6.1
53.03924	1.3
54.56981	0.5
55.01870	6.1
55.05495	1.6
57.03436	13.3
67.05500	5.8
69.03419	1.1
70.06570	0.5
71.01345	2.1
71.04971	0.8
71.29438	0.7
73.02924	2.5
79.05489	52.3
80.05834	1.0
81.03417	1.1
81.04487	0.5
81.07056	7.2
83.04967	1.5
83.12442	0.5
85.02884	0.7
87.02374	0.4
91.05476	15.0
93.07041	3.3
95.04973	2.7
95.08601	7.4
97.02876	1.0
97.06518	1.4
99.00813	24.9
99.04453	0.5
99.08106	0.8
103.05438	2.5
103.28558	0.5
105.07027	100.0
106.07359	1.8
107.04935	2.1
107.08588	11.2
109.02876	1.6
109.06541	2.5
115.03938	0.7
115.05452	3.7
117.07027	1.4
119.04926	0.8
119.06057	0.5
121.10122	0.6
123.04449	1.5
123.08078	7.3
127.03985	0.7
133.06487	36.7
134.06841	1.3
135.04416	1.8
135.08047	4.8
137.05977	1.7
143.08530	0.6
149.06020	0.9
151.07535	55.4
152.07954	1.2
153.07021	1.4
155.08524	1.1
165.07039	2.3
168.05675	0.8
169.06488	0.6
169.08704	0.7
177.05560	0.8
179.07010	4.7
179.08354	0.6
181.06456	0.8
183.08075	1.2
196.05272	0.6
197.08157	1.2
211.07629	1.8
215.09149	1.5
271.06149	4.4
271.09686	2.1
271.11887	20.7
271.14536	1.0
271.17303	1.4
272.12009	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.6
55.01869	3.1
57.03437	4.3
65.03946	2.6
67.05505	2.6
69.03410	1.0
69.07077	0.7
70.06577	1.1
71.04993	0.8
71.29487	0.6
73.02914	33.9
75.04466	2.6
79.05495	3.0
81.07050	1.5
83.04959	0.9
85.02897	1.3
87.04465	0.5
91.03922	1.0
91.05470	3.0
93.03394	3.3
93.07025	1.5
95.04971	2.9
95.06056	0.6
95.08597	0.7
99.00805	1.0
103.05440	0.6
105.07018	4.9
107.04913	1.6
107.08601	1.0
108.02072	1.2
109.02862	1.1
109.06477	0.9
109.10171	0.9
110.03651	6.5
110.06042	0.8
110.62962	0.5
111.04451	4.9
113.05988	0.6
119.04933	2.5
121.06499	0.8
122.03667	0.9
123.04437	1.6
123.08088	0.8
125.05986	42.4
126.06348	0.7
130.06503	3.1
133.06468	1.9
135.08067	1.6
136.01622	0.5
137.05980	2.0
140.10727	1.1
141.05452	1.8
147.06505	2.8
149.06012	3.0
151.03905	100.0
151.04991	7.5
151.07478	7.0
152.04253	1.9
153.01749	0.5
157.07564	5.1
158.06027	0.6
159.07922	0.6
163.07524	2.7
165.07025	0.7
167.06952	0.7
179.07033	19.8
185.07126	0.7
197.08105	20.9
198.08398	0.9
199.09749	1.1
203.08136	0.8
225.07500	3.9
235.16957	0.7
253.10703	3.3
257.67624	0.5
263.59006	0.5
271.06183	5.8
271.11795	20.2
272.06232	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08499	0.5
53.00305	5.6
53.03933	1.6
55.01868	6.0
55.05489	2.0
57.03170	1.0
57.03434	14.9
57.48628	0.5
58.46064	0.7
62.92337	0.6
63.74795	0.5
64.80384	0.6
67.05185	0.7
67.05501	9.2
69.03419	1.3
69.07059	0.7
70.06577	0.5
70.24538	1.7
71.01334	1.8
71.04982	1.1
73.02919	3.0
79.05492	51.9
80.05813	1.0
81.03412	1.6
81.07053	8.5
83.04960	1.3
85.02897	0.8
91.05476	15.1
93.07034	4.0
95.04960	3.0
95.08598	7.8
97.02899	1.6
97.06513	1.4
98.09723	0.7
99.00816	24.2
99.01462	1.4
99.08083	1.5
103.05456	2.8
105.07027	100.0
106.07356	2.0
107.04938	3.3
107.08591	12.7
109.02882	2.0
109.06526	3.1
109.10129	1.1
111.04469	1.0
115.03927	1.2
115.05428	3.6
117.07001	1.6
119.04878	0.7
119.08629	0.9
121.06535	0.7
121.10159	0.9
123.04414	1.7
123.08070	7.7
129.35753	0.6
130.05072	0.7
131.08533	1.0
133.06485	40.4
133.10173	0.7
135.04430	1.0
135.08029	4.8
137.06003	1.8
137.09665	0.7
141.06975	0.7
149.09625	1.6
151.07538	54.8
152.07924	1.9
153.07120	0.7
153.09122	0.6
155.08549	0.7
157.10191	0.7
165.07068	1.4
169.08614	0.7
170.06258	0.6
179.07057	5.4
181.06517	0.7
183.08052	1.1
186.99736	0.6
197.06082	0.9
197.08095	1.3
211.07637	2.1
215.07179	1.2
215.09268	2.2
226.14520	0.9
228.07578	1.3
239.07138	0.9
256.07214	0.8
271.06049	4.5
271.09625	2.0
271.11887	20.8
271.17126	1.1
272.12009	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1441
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
55.05497	3.7
56.05029	1.4
61.17487	1.0
67.05492	3.6
69.07069	2.5
72.22202	0.9
75.62761	1.0
79.05486	6.9
81.05789	2.5
81.07043	2.9
83.03750	0.8
83.08580	0.9
91.05464	4.2
93.05762	1.8
93.07029	2.6
94.06542	1.5
95.04976	1.2
95.08586	1.9
96.08121	7.5
97.06535	1.8
103.05466	1.0
105.07032	5.3
106.06576	4.3
107.08582	2.2
108.08117	18.5
109.06503	0.9
109.10159	1.7
110.09699	1.4
117.07018	3.2
118.06570	1.1
119.04939	1.0
119.08572	1.6
122.09687	3.4
128.06223	1.8
129.07025	2.7
131.08578	1.8
133.10101	1.9
134.06020	3.8
136.07591	1.5
141.06964	1.1
142.07753	2.1
143.07364	1.1
143.08549	2.5
144.08046	1.8
145.06480	3.7
145.08855	1.0
145.10089	1.7
146.09639	1.3
147.06804	1.1
153.07019	1.7
155.08521	1.7
156.09271	1.2
157.10144	4.1
158.09644	1.4
159.08003	2.2
159.09212	1.2
159.11684	1.4
160.07584	1.1
165.06996	1.4
166.07799	2.0
167.08646	1.0
168.08142	5.1
168.09348	1.2
169.08847	7.1
170.09653	2.4
172.07550	3.3
172.11328	1.2
174.09198	3.3
180.07996	1.3
181.10176	4.3
182.06027	2.9
182.09631	3.2
183.08087	2.1
183.10431	10.6
183.11557	1.3
184.07700	1.6
184.11336	1.2
185.10730	2.5
186.09158	2.3
186.11530	1.2
194.09662	1.1
195.09235	1.0
196.07562	13.0
197.08339	24.3
197.10364	1.5
197.10808	1.3
198.09108	3.0
198.12794	11.6
199.08661	14.6
199.12308	2.2
200.10999	0.9
200.12997	2.1
208.11273	2.7
209.12106	1.4
210.09172	5.6
210.11290	1.6
211.09918	41.2
211.11989	1.7
212.10489	1.0
213.10239	28.3
214.10921	8.7
215.15417	6.2
225.13916	2.8
226.12259	80.1
227.08260	1.4
227.11761	23.6
228.12552	50.5
239.11676	1.6
241.09666	2.1
242.10468	5.8
243.14922	46.6
244.15295	1.8
253.13370	10.0
254.11633	5.9
255.11279	4.5
256.12070	11.5
271.06168	11.6
271.14410	100.0
271.16824	5.6
271.20642	3.0
272.14600	4.5
272.25739	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1442
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
53.03931	0.6
55.05511	1.2
56.05025	0.6
57.07076	0.6
58.06592	1.1
67.05494	1.3
67.36115	0.4
69.07068	1.2
69.08290	3.2
77.30507	0.5
79.05490	3.1
80.05017	0.5
81.05789	1.6
81.07070	2.3
82.06551	0.6
83.08620	0.7
91.05478	2.5
93.05780	1.4
93.07024	1.0
94.06563	1.8
95.04963	0.7
95.08595	1.0
96.08138	4.0
97.06549	0.7
100.07616	1.0
103.05444	0.5
105.07022	1.7
106.06578	2.7
107.07343	0.6
107.08601	1.3
108.07420	0.8
108.08122	14.8
108.08862	0.9
109.10119	0.9
115.51218	0.5
117.07004	1.4
117.89294	0.5
118.06548	0.9
119.08575	2.0
120.08124	0.9
122.09669	1.9
128.06264	0.8
129.07010	1.9
130.06531	0.9
131.08566	1.0
132.08051	0.6
133.10085	1.1
134.06020	2.3
134.09647	0.6
135.07993	1.0
136.07579	2.2
141.06880	0.5
142.07820	1.3
143.07372	0.7
143.08583	1.1
144.05690	0.8
144.08067	2.1
145.10109	1.0
146.09654	1.0
148.07545	1.4
153.07047	1.0
154.06506	1.5
155.07361	0.7
155.08606	1.4
156.08121	1.0
156.09320	1.1
157.10062	2.3
158.05998	0.6
158.09650	1.5
159.08052	6.2
159.09207	0.7
160.07558	0.8
161.09563	0.4
165.07014	1.0
166.07774	0.7
168.08098	5.4
168.09351	0.8
169.08879	5.0
170.09641	2.1
171.09204	1.5
171.11699	0.9
172.07561	1.9
172.11176	0.9
173.09550	1.2
174.09186	2.1
181.10139	2.0
182.05901	0.9
182.09627	3.8
183.06758	0.6
183.08098	0.7
183.08646	0.6
183.10400	9.9
183.11743	1.1
184.07643	1.1
184.11125	0.6
185.10750	2.2
186.09145	1.0
186.11520	2.3
192.08130	0.7
194.09677	0.9
196.07570	7.4
196.09474	0.8
196.09949	0.8
197.08356	16.7
197.10329	0.8
198.09145	1.6
198.12799	10.9
199.08659	12.4
199.12314	3.1
200.09267	0.7
200.13097	2.0
208.11249	1.7
210.09169	2.5
210.11337	1.1
211.09930	23.2
212.09297	2.4
213.10228	20.8
213.12329	0.6
213.13588	0.5
214.10970	9.0
215.11577	0.8
215.15472	6.2
215.17537	0.8
225.13884	1.3
225.16153	0.5
226.12273	46.0
227.08154	1.4
227.11763	22.8
228.12569	36.2
229.13026	1.5
239.11824	1.6
240.08974	0.7
241.09746	2.0
241.13399	1.1
242.10454	2.6
242.14142	0.9
243.14934	33.7
244.15295	1.6
253.13454	6.5
253.15862	1.0
254.11726	3.6
254.24829	0.7
255.08566	0.9
255.11282	22.7
256.12061	32.7
257.12378	1.3
269.12701	0.7
271.06281	4.5
271.14407	100.0
272.14771	2.9
272.25851	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	271.1695
Annotation	Oropheic acid
Peak:m/z	Relative Intensity
53.03946	1.3
55.01875	6.9
55.05513	22.2
57.03431	3.1
57.07065	1.2
65.03928	1.2
67.05508	19.0
69.03437	2.7
69.07073	9.8
71.04996	1.0
79.05495	24.0
81.03424	1.6
81.07059	18.6
83.04987	2.2
83.08619	5.1
85.06554	1.5
91.05484	20.0
93.07050	10.6
95.04958	2.9
95.08599	6.7
97.06541	2.1
97.10164	5.3
99.91967	0.8
103.05492	0.9
105.07030	12.7
106.06603	1.0
107.04951	4.6
107.08602	10.7
109.06530	1.5
109.10162	5.6
111.08085	1.9
115.05452	14.5
115.06239	1.3
116.06249	1.5
117.07020	47.4
119.08578	11.6
121.06507	3.6
121.10112	1.1
122.05991	0.8
123.08064	1.4
125.09652	4.0
128.06239	11.1
129.07010	10.2
130.07809	1.5
131.04947	1.3
131.08574	16.6
133.06477	2.8
133.10143	6.4
134.06009	3.0
135.08078	4.6
141.06984	4.7
142.07784	6.6
143.08563	24.9
144.05730	2.7
144.08060	1.0
145.06483	55.4
145.10110	10.5
147.08015	7.0
151.11232	1.1
153.07019	1.6
153.09081	1.7
155.05989	1.8
155.08574	11.5
156.09283	1.4
157.06458	1.5
157.10130	10.7
158.07265	2.4
159.08049	36.9
159.11749	1.6
160.07550	1.2
160.08765	2.2
161.09593	4.0
163.11130	1.3
165.07097	1.1
167.08554	2.0
168.08122	2.0
168.09428	0.9
169.10086	7.1
170.09663	1.0
171.08002	4.4
171.11690	3.2
173.09610	10.7
175.07420	1.4
175.11189	0.9
179.08545	1.8
181.10143	2.4
182.05966	1.1
182.08363	0.9
183.11703	3.6
184.07495	1.3
185.09599	2.3
185.10947	1.6
186.10475	1.6
187.11200	2.6
193.10136	1.6
196.07487	4.5
196.09966	1.1
197.09642	2.4
197.13187	2.1
198.07745	2.0
198.09218	2.4
199.04991	1.6
199.08661	2.5
199.12411	1.5
209.13235	1.4
210.07690	1.3
211.08543	2.0
211.12427	2.5
211.14883	3.2
212.10724	3.7
213.06642	3.4
213.10170	13.8
223.08635	1.5
224.09485	1.6
225.10312	5.2
225.12471	0.8
225.16393	6.1
226.07326	4.6
226.12386	1.1
227.08199	8.8
227.11745	6.3
227.13780	0.9
228.08914	3.2
228.12558	2.6
229.09637	1.6
235.14827	3.5
237.10330	1.3
239.11633	5.4
240.12550	2.5
241.09718	41.2
242.10269	5.3
243.11357	2.1
243.15028	1.3
243.17365	9.9
253.15895	12.6
254.11714	0.9
255.11327	8.2
256.12073	19.6
271.06061	10.1
271.14368	67.2
271.16965	100.0
272.14682	2.6
272.17282	3.8
272.25842	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2055
Annotation	Clathrin B
Peak:m/z	Relative Intensity
55.05507	11.2
57.03436	2.8
57.07070	5.0
67.05514	14.9
69.03438	2.1
69.07058	33.9
71.04979	2.0
79.05499	9.0
80.90865	1.7
81.07057	18.4
83.08624	6.5
83.17567	1.7
84.44217	1.5
91.05478	16.4
93.07061	14.9
95.04964	13.2
95.08614	22.5
97.06527	7.1
104.62710	1.7
105.07034	23.9
107.08609	17.0
109.06532	15.6
109.10161	22.9
111.08069	3.7
111.11713	2.0
117.07008	5.5
119.08582	39.7
121.06467	4.3
121.10159	14.8
123.08046	5.3
123.11711	10.9
129.06996	4.4
131.08577	17.2
133.06529	3.0
133.10129	26.6
135.08052	16.3
135.11693	5.6
137.13232	1.6
140.36272	1.6
142.07814	3.9
143.08543	6.3
144.09319	2.8
145.10150	17.1
147.08061	4.5
147.11668	19.4
149.09641	3.6
149.13266	3.2
151.11211	3.5
153.06940	1.6
155.08548	2.6
156.09344	3.5
157.10162	12.2
158.10890	2.0
159.08090	3.4
159.11696	18.3
161.09615	6.1
161.13260	11.3
169.10153	4.0
171.11725	7.8
172.08858	1.6
173.09637	6.1
173.13255	12.9
175.11177	9.2
175.14885	18.1
177.12749	4.2
183.11714	15.9
185.13336	3.3
187.11168	7.1
187.14842	8.2
188.15353	1.8
189.12718	6.6
189.16357	10.8
195.11729	2.5
197.13261	9.9
201.12750	8.0
201.16338	2.1
202.13345	1.8
203.14282	2.1
211.14847	3.2
213.16507	3.7
215.14331	10.6
215.17815	1.8
229.15804	3.8
243.21153	13.0
253.19553	9.0
271.06055	7.6
271.20572	100.0
272.20935	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	273.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.0
55.01597	1.2
55.01868	17.4
55.05512	5.7
57.03433	8.6
67.05517	3.5
69.03418	1.0
69.07067	1.8
71.04980	1.0
73.02908	1.6
79.05489	13.6
81.07054	9.6
83.04974	1.5
83.08615	1.0
85.02917	2.9
91.05478	11.8
93.07038	23.9
95.04961	1.6
95.08592	2.2
97.06532	1.7
97.10165	4.3
99.04427	1.8
101.02379	1.9
105.07015	1.9
107.04944	1.6
107.08591	23.0
108.08920	0.6
109.06527	1.2
109.10146	1.0
111.04448	5.3
111.08065	0.9
115.05477	1.0
117.07010	6.6
119.08587	2.6
121.06500	1.4
125.09625	60.4
126.09956	1.3
131.08556	0.6
135.08054	14.9
137.05995	1.6
143.08426	0.7
145.06499	0.7
145.10188	0.7
153.09097	100.0
154.09407	2.9
163.07542	1.8
171.10149	1.7
181.08586	23.0
181.10165	1.4
199.09683	5.8
243.26526	0.6
245.50899	0.7
255.12263	2.8
273.08218	1.0
273.13354	18.4
273.18307	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	273.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31833	0.3
55.01865	0.2
55.05506	0.6
57.03423	0.7
67.05504	1.3
69.03411	0.5
69.07066	0.4
69.42638	0.3
75.63187	0.2
79.05483	1.6
81.07059	1.6
82.06587	0.3
83.04984	0.8
83.08604	0.4
85.06525	0.7
91.05475	1.1
93.07035	0.9
94.06573	1.6
95.04937	0.4
95.08588	0.9
97.06532	0.9
98.06074	1.2
105.07032	1.9
106.06535	0.8
107.04973	0.6
107.07342	8.7
107.08580	1.0
108.08174	0.3
109.06533	0.6
110.06041	1.8
111.04450	0.6
111.08084	0.3
115.05482	0.3
117.03419	0.3
117.07023	0.9
119.08606	0.9
121.06484	0.3
121.10114	0.5
122.09667	100.0
123.08092	0.4
123.10017	1.9
124.07581	2.3
125.09663	0.4
128.06261	0.5
129.07008	0.9
131.08582	1.4
133.10130	1.0
134.09656	0.3
135.04396	0.4
135.08060	0.4
136.07616	0.5
137.09576	0.4
138.09145	0.2
142.05022	0.7
143.08530	0.5
143.50201	0.3
145.10136	1.0
146.06039	0.3
147.04402	0.5
147.11708	0.4
148.11230	0.9
152.07074	12.4
153.07053	0.5
157.06450	0.5
157.10162	0.9
159.08003	0.3
159.11726	0.5
161.05949	0.5
161.09666	0.6
163.03899	0.7
167.08545	0.5
169.10152	0.4
171.11726	0.7
173.09657	0.3
173.13275	0.5
176.10709	1.9
179.10760	0.3
181.06453	0.4
185.05914	0.4
185.13280	0.4
189.05470	0.4
195.08147	0.4
199.03964	0.3
209.13081	0.2
213.05556	0.3
213.16359	0.3
215.14209	0.5
215.47690	0.3
217.04944	0.4
220.64941	0.2
227.06934	0.3
227.15407	0.7
228.13821	1.1
231.14948	1.0
241.08575	1.1
242.23949	0.3
243.11322	0.5
245.08394	0.4
245.16527	2.3
255.06523	0.3
255.14957	0.4
255.17590	0.6
273.07654	1.9
273.12418	1.0
273.15955	19.3
273.18555	2.3
274.16306	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1848
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
50.11357	0.8
51.44272	0.8
53.03935	3.2
55.01870	5.0
55.05276	1.0
55.05513	12.2
57.03427	1.7
57.07065	2.4
65.03928	2.7
67.05136	1.1
67.05500	21.8
69.03429	4.6
69.07067	8.9
69.27355	4.5
69.27769	1.9
71.04980	2.1
77.28859	0.9
79.05064	1.7
79.05490	18.1
81.03395	2.3
81.07056	19.8
83.04974	3.8
83.08617	5.3
85.06531	1.5
88.07613	1.9
91.05483	32.7
93.07045	19.7
95.04967	9.2
95.08599	12.0
97.06522	3.4
97.10132	1.3
103.05481	1.9
104.19053	1.0
105.07029	31.1
106.07365	1.1
106.08673	1.2
107.04949	7.0
107.08594	11.3
107.50594	1.0
109.06499	6.7
109.10136	5.0
111.04420	1.2
111.08068	2.0
115.03926	2.1
115.05450	3.2
116.06213	1.9
117.07011	17.4
118.21493	0.8
119.04944	2.2
119.07784	1.5
119.08581	21.7
121.06510	10.6
121.10120	4.6
123.08040	5.0
123.11678	0.9
125.09630	1.1
128.06224	3.1
129.06998	11.2
130.07774	3.3
131.04842	0.9
131.08569	21.5
132.05745	1.4
133.06485	11.8
133.10126	12.4
135.08038	6.5
135.11702	2.3
137.09624	2.8
139.24182	0.8
141.06996	1.9
142.07780	2.7
143.08568	12.4
144.09361	1.0
145.06476	2.9
145.10127	23.7
146.07227	1.3
147.08035	12.7
147.11671	6.0
149.09601	4.8
149.13197	1.1
151.11217	1.3
155.08549	2.8
156.09357	1.3
157.06494	1.1
157.10121	10.0
159.08052	4.6
159.11685	8.6
160.08919	1.2
161.09618	14.7
161.13260	2.3
163.11172	3.1
167.08646	1.1
169.10080	2.8
171.08014	1.3
171.10277	1.2
171.11676	7.0
173.09554	4.2
173.13301	3.4
175.11153	8.9
177.09064	1.0
181.10092	2.0
183.11708	1.2
185.09639	2.2
185.13139	4.2
187.11223	2.6
189.12714	3.4
195.11655	2.0
197.13213	1.2
199.11171	2.8
199.14810	1.5
203.17851	1.1
209.13315	1.0
211.14787	1.5
211.54544	0.9
213.12688	1.5
213.16389	3.1
215.14200	1.0
217.12234	2.7
217.15994	0.9
227.17921	4.7
231.17319	1.7
237.16428	3.8
245.19003	9.8
255.17445	11.0
256.26407	1.2
273.18478	100.0
273.29822	1.9
274.18936	4.4
274.27399	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	273.1848
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
51.02373	0.8
53.03952	1.1
55.01869	3.0
55.05272	0.7
55.05511	8.0
57.03419	1.4
57.07063	1.2
60.22314	0.5
65.03931	1.2
67.05504	10.8
69.03418	1.3
69.07070	6.0
70.06603	1.1
71.04993	0.8
79.05064	1.0
79.05494	11.1
79.37148	0.4
81.03423	1.2
81.07057	8.6
83.04978	2.0
83.08611	3.0
88.07607	0.6
91.05482	19.4
93.07041	8.2
95.04974	2.9
95.08621	7.4
96.08117	1.6
97.06519	1.8
97.10169	1.7
103.05469	0.9
105.03399	0.6
105.07025	19.4
106.08674	0.9
107.04934	2.9
107.08602	4.8
108.33105	0.5
109.06505	2.1
109.10149	3.9
111.04478	1.1
111.08054	0.9
115.05432	2.7
116.06303	1.2
117.07014	14.6
119.04946	1.1
119.08575	15.9
120.08964	0.5
121.06506	2.3
121.10134	3.3
123.08070	1.4
125.09548	0.6
128.06206	2.5
129.07008	9.3
129.46274	0.5
130.07788	2.3
131.04877	0.6
131.08563	32.2
132.05759	0.7
132.88245	0.5
133.06479	4.4
133.10126	7.2
135.08075	3.1
135.11664	1.0
137.09634	1.2
139.13573	1.6
141.07019	1.4
142.07742	1.8
143.08559	9.5
144.09346	1.0
145.06479	1.8
145.10120	22.6
146.07260	0.7
147.08055	10.8
147.11684	2.7
149.09604	2.5
151.40067	0.5
155.08566	1.8
155.83083	0.5
157.10115	6.6
159.08076	4.3
159.11697	6.4
161.09618	5.7
161.13171	0.7
163.11185	1.9
167.08560	1.0
169.10127	1.9
171.07976	0.6
171.11681	4.1
173.09596	2.9
173.13300	1.8
175.11185	5.1
177.09081	1.2
177.12738	0.9
181.10132	1.5
183.11623	1.0
185.09628	2.0
185.13260	2.1
187.11131	1.4
189.12700	1.8
195.11710	2.2
197.13269	0.8
199.11209	3.3
203.10658	1.3
205.12321	0.6
211.14761	1.5
213.12811	0.5
213.16394	1.6
215.14235	0.9
217.12238	1.4
217.16058	0.5
227.17955	3.1
231.13760	0.7
231.17439	1.4
237.16418	2.5
242.94247	0.5
245.18988	2.9
255.17442	9.1
256.17749	0.6
273.18488	100.0
273.29828	2.0
274.18814	4.7
274.27390	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	273.1848
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03940	2.5
55.01871	5.3
55.05505	13.1
57.03434	1.7
57.07076	0.8
60.70306	0.7
60.71116	0.5
62.67665	0.5
65.03938	1.3
67.05503	19.2
69.03422	2.4
69.07070	8.3
69.95470	1.2
69.95864	1.1
71.04977	1.5
75.24754	0.6
77.03921	0.8
79.05492	19.8
81.03410	2.7
81.07051	20.9
81.07530	1.2
83.04984	3.7
83.08611	4.3
85.06523	0.7
88.07624	0.5
91.05477	33.2
92.05782	0.8
93.07041	20.5
95.04970	6.1
95.08610	12.2
97.06516	3.3
97.10143	0.9
103.05437	3.2
105.03423	0.8
105.04533	0.9
105.07027	31.3
107.04948	5.5
107.08594	10.2
108.39606	0.6
109.06522	5.6
109.10155	4.6
111.08088	1.2
115.05434	1.7
116.06222	1.3
117.07014	16.6
119.04942	2.4
119.08579	20.1
121.06506	14.2
121.10139	4.3
123.08084	4.2
123.11696	0.8
125.09617	0.8
128.06183	3.1
129.06998	11.8
130.07794	2.5
131.04906	0.6
131.08565	24.0
132.05750	0.6
133.06482	9.8
133.10123	12.5
135.08046	7.3
135.11684	2.1
137.05957	0.8
137.09610	2.3
141.06961	1.7
142.07744	2.4
143.08557	12.0
143.09666	0.9
144.09190	0.9
145.06471	3.2
145.10117	21.8
145.11256	1.2
146.07216	1.0
147.08038	13.1
147.11674	6.1
149.09608	4.5
149.13272	0.7
151.11162	1.6
153.09041	0.8
154.07634	0.7
155.08517	2.7
156.09357	0.8
157.06412	0.8
157.10120	11.1
158.07301	0.7
158.10860	0.6
159.08046	5.3
159.11685	8.7
161.09615	12.7
161.13243	2.0
162.10010	0.8
163.07524	0.9
163.11185	2.3
165.09146	0.7
167.08618	1.1
169.10112	2.3
171.08055	1.0
171.11697	8.0
173.09641	2.9
173.13264	2.4
175.11174	7.4
175.14879	0.6
177.09070	1.1
177.12759	1.1
177.43379	0.6
179.10696	1.1
181.10103	1.9
183.11665	2.0
185.09641	1.5
185.13271	4.2
187.11148	3.1
187.14821	0.9
189.12814	3.0
191.10680	0.9
195.11670	2.2
199.11137	2.9
199.14795	1.2
201.12749	0.6
203.14162	0.9
203.18039	1.1
205.12222	1.0
211.14766	1.2
213.12749	2.5
213.16393	2.5
217.12343	1.4
222.13934	0.6
227.17917	5.1
231.17500	1.1
237.16302	3.3
245.18977	8.8
255.17445	9.7
273.18475	100.0
274.18762	5.6
274.27390	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	273.1848
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
50.01614	1.3
52.35047	1.1
53.03940	1.4
55.01869	2.5
55.05497	6.1
57.03420	1.5
57.07065	4.2
59.04998	2.4
60.56484	1.2
65.03945	1.5
67.05508	8.8
69.03412	1.6
69.07073	7.2
70.13479	2.9
71.04994	3.3
75.80206	1.4
76.40112	1.3
79.05495	11.9
81.07047	11.0
83.04998	3.0
83.08611	2.2
85.06546	6.4
88.09987	1.3
91.05476	17.3
93.07040	16.1
95.04960	4.7
95.08587	9.2
96.84953	1.3
97.06526	6.1
103.05473	2.6
104.30418	1.4
105.07028	29.5
107.08605	19.1
109.06517	29.9
109.10151	5.3
111.08076	4.2
115.05440	3.4
117.07021	11.1
119.08575	29.4
121.06484	2.9
121.10149	12.9
123.08063	4.2
128.06221	6.3
129.06999	14.1
130.07762	5.0
131.08559	17.8
133.06511	11.6
133.10107	12.8
135.08061	8.9
137.09581	2.4
141.06964	7.7
142.07747	13.1
143.08557	28.1
144.09355	3.6
145.06473	2.3
145.10115	29.9
147.08005	5.5
147.11668	13.4
149.09604	5.2
150.43864	1.4
153.06952	4.3
154.07768	1.8
155.08557	19.3
156.09344	21.2
157.10123	31.9
158.10855	4.0
159.08020	6.1
159.11676	10.0
161.09628	7.2
161.13234	1.5
163.03955	1.8
163.11227	3.1
165.07050	4.7
166.07755	3.7
167.08572	9.7
168.09322	2.0
169.10129	25.9
170.10938	8.2
171.08121	2.2
171.11676	37.8
172.12332	3.8
173.02347	1.5
173.09622	25.2
173.13202	7.6
174.10320	3.8
175.11183	13.7
179.08528	4.7
180.09294	4.1
181.10095	13.1
182.10898	12.5
183.11697	14.0
184.12444	3.3
185.09607	4.1
185.13243	9.0
186.14021	2.0
187.11205	4.5
187.14806	4.2
189.12741	19.1
190.13229	1.4
193.10117	3.4
194.10973	2.4
195.11699	12.4
196.07608	3.6
196.12375	7.9
197.09697	1.7
197.13257	46.4
198.10411	1.4
198.13994	6.7
199.11163	20.9
199.14822	2.2
200.11862	1.7
207.11713	6.4
208.12437	1.6
208.34102	1.4
209.13216	5.2
211.11125	1.2
211.14810	17.5
212.12076	1.7
212.15570	14.1
213.12921	6.7
213.16348	30.6
214.13568	2.6
215.14317	12.5
217.12303	3.5
217.89922	1.4
222.14037	3.8
225.12680	6.3
227.14296	12.3
229.15820	10.2
230.16675	2.5
231.17455	5.8
231.52188	1.3
237.16377	9.6
240.15024	8.8
241.08589	1.5
242.08218	4.1
243.13699	1.7
255.17441	56.8
256.17645	2.4
273.18484	100.0
274.18930	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	273.1847
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
55.01871	3.1
55.05493	4.6
57.07062	3.4
59.04977	2.8
60.56842	1.6
67.05509	8.3
69.03448	1.8
69.07063	6.4
71.04995	3.7
71.30840	1.5
79.05494	13.4
81.07053	10.4
83.04984	1.8
83.08637	3.8
85.06531	5.5
91.05482	17.4
93.07048	11.8
94.50789	1.8
95.04981	4.3
95.08584	7.1
97.06525	6.5
105.07031	26.2
107.05001	1.6
107.08586	15.3
109.06520	25.9
109.10152	5.2
111.08058	3.4
115.05379	2.7
117.06990	10.0
119.08576	31.7
121.06448	2.2
121.10123	7.2
123.08061	3.9
128.06198	6.5
129.06992	10.1
129.61220	1.7
130.07791	3.3
131.08563	18.8
133.06496	4.4
133.10146	11.0
135.08076	10.1
135.11673	1.9
137.09602	3.2
139.11079	1.9
141.07004	7.5
142.07784	9.2
143.08560	24.4
144.09294	2.1
145.06406	2.4
145.10133	27.8
147.08057	4.8
147.11678	9.6
149.09602	5.1
153.06979	5.1
154.07755	2.8
155.08534	16.5
156.09344	20.8
157.10124	29.9
159.08055	4.3
159.11668	13.3
161.09599	7.6
162.44186	1.7
165.07057	5.9
166.07782	3.4
167.08557	7.8
168.09328	2.2
169.10127	21.7
170.10884	7.7
171.08046	2.5
171.11690	31.2
172.12453	2.7
173.09602	21.6
173.13289	10.9
174.10373	2.6
175.11203	10.5
179.08508	4.2
180.09381	5.1
181.10091	10.9
182.10872	16.3
183.11694	12.9
185.09642	4.1
185.13226	11.8
187.11188	5.2
187.14793	3.3
189.12746	17.7
193.10162	2.7
195.11736	10.9
196.12479	6.2
197.09541	2.6
197.13252	42.0
198.14026	6.7
199.11176	20.4
201.12659	2.7
207.11684	5.5
208.12434	4.4
209.13257	4.7
211.14824	24.2
212.15599	13.2
213.12801	7.4
213.16353	31.1
214.13516	3.7
215.14268	15.3
217.12213	4.4
222.14104	2.9
225.12695	4.3
227.07065	2.0
227.14323	11.5
229.15849	9.3
230.16562	3.7
231.17442	4.3
237.16325	10.6
240.15071	4.7
255.14717	3.4
255.17450	71.0
256.17828	2.8
273.18488	100.0
274.18835	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	274.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15189	0.6
66.48252	0.6
69.03430	0.9
69.97398	1.5
69.97779	1.7
73.02918	0.7
77.57147	0.6
85.02923	1.2
97.02950	0.8
99.38319	0.7
109.78677	0.7
113.07107	0.9
138.68732	0.7
141.87741	0.9
171.04192	5.2
187.03682	100.0
188.04057	1.7
215.03178	8.6
274.10513	76.2
275.10849	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	274.105
Annotation	Unknow
Peak:m/z	Relative Intensity
69.75993	3.1
69.76391	1.5
85.02892	1.4
95.98698	1.1
98.22704	1.1
101.44794	1.1
116.29921	0.9
129.23877	1.0
171.04189	3.9
179.29198	1.1
187.03679	100.0
188.04036	2.4
215.03171	7.9
274.10510	80.7
275.10855	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	274.9752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01884	0.9
55.05498	0.9
56.96566	12.9
57.03429	1.3
60.04543	1.2
67.05501	1.7
69.03431	7.1
69.63155	1.5
69.63562	2.9
70.06581	1.7
71.05007	0.7
71.95273	4.1
73.02915	1.0
80.05025	0.9
81.03403	4.2
83.04979	1.3
84.04507	5.2
84.08109	0.7
85.02885	3.8
88.72182	0.7
96.04495	11.1
97.02886	3.4
98.06074	5.0
98.97586	100.0
99.04445	1.7
99.70872	0.8
101.00890	1.1
109.02882	3.7
114.05563	0.8
116.98624	51.5
119.01910	1.5
126.05515	10.6
127.03936	4.0
128.03441	0.7
130.93277	1.5
131.03380	0.8
134.99666	18.8
138.05505	55.0
140.00172	1.0
144.06555	10.7
145.03485	1.2
153.00693	1.4
158.01129	0.9
159.05112	0.8
168.06578	6.7
172.94392	4.7
186.07607	3.9
187.03706	1.0
189.04372	0.8
190.95421	4.9
208.96460	1.4
214.95435	2.1
218.33392	0.7
232.96465	6.1
233.03313	0.9
237.02715	0.8
243.79208	0.8
250.97476	2.9
256.96423	10.0
261.88596	0.8
274.97504	73.8
275.11020	36.8
275.97791	1.3
276.11182	1.0
292.98560	44.0
297.99054	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.9751
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96303	0.8
56.96566	10.6
58.94776	0.5
66.10023	0.5
69.28871	1.0
69.29274	3.1
70.95870	0.7
71.95255	3.5
78.07488	0.7
98.97584	100.0
99.97891	0.8
101.00882	0.9
116.98626	43.2
119.01938	2.1
128.37859	0.6
130.93272	0.9
134.99667	9.9
160.33083	0.6
172.94368	4.3
177.01030	0.8
190.95390	3.0
193.87169	0.6
203.02489	1.6
208.96245	1.0
214.95361	3.5
219.02046	0.7
232.96437	5.7
238.95486	0.8
249.99361	3.6
250.49403	0.7
250.97380	2.5
256.96432	12.3
257.96826	0.7
261.02994	1.6
262.03186	0.8
274.97482	67.3
275.04367	1.7
275.97662	0.6
292.98557	36.0
293.05441	1.1
293.98660	1.0
297.99091	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.9753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07487	0.5
53.03945	5.6
53.46598	0.6
54.98624	0.7
55.01871	5.1
55.05508	2.8
56.96568	11.8
57.03439	16.0
61.02921	2.4
65.03925	0.9
67.05499	2.7
67.41284	0.6
68.05017	1.2
69.03432	72.7
70.03766	0.7
70.06566	0.7
70.09252	1.9
71.01358	4.9
71.04996	7.7
71.95266	2.1
73.02917	6.8
79.05495	1.8
80.14198	0.7
81.03421	28.0
83.01360	2.9
83.04980	8.2
84.04491	2.4
84.96038	2.5
85.02908	41.7
86.00732	0.6
87.04457	2.3
91.05500	1.0
93.03430	1.3
95.04968	3.2
95.06110	1.1
96.04491	11.2
97.02893	27.8
98.97587	100.0
99.04456	14.4
99.97939	0.8
100.02209	3.2
101.00909	3.1
101.02396	5.2
103.03938	0.8
107.04969	0.8
109.02879	10.2
110.97569	8.4
111.04444	5.5
112.99155	4.4
113.00890	1.0
113.02377	6.6
113.07144	4.6
114.05527	2.3
115.03938	1.5
116.98625	37.0
119.01923	3.5
123.04416	2.0
125.02365	1.1
125.07126	0.9
126.05474	0.7
127.03921	45.1
128.04376	0.7
128.98605	7.3
129.05463	2.7
130.93306	0.7
131.00165	2.6
131.01917	3.3
131.03418	2.7
134.99661	9.3
135.04395	0.7
136.82976	0.7
138.05502	1.7
139.03902	1.6
140.00150	0.6
140.98628	0.9
143.00206	1.1
143.01871	1.9
143.03448	0.9
144.06602	0.6
145.03516	1.8
145.04970	10.1
146.02715	2.8
146.99605	1.5
149.01222	1.4
151.03912	1.7
155.01880	2.2
155.03192	0.6
158.99675	1.1
161.01173	1.0
161.02946	1.4
170.99667	1.4
172.94313	4.4
173.02975	2.7
173.04385	1.2
173.06619	1.9
177.00737	0.8
185.06638	3.3
189.00714	1.1
190.95375	1.8
199.05991	0.9
201.00690	1.5
203.07689	1.6
209.01260	0.7
214.95428	1.8
215.07567	0.9
219.01764	13.6
220.02138	0.6
221.05063	1.6
227.07542	0.7
232.96381	4.4
237.02809	17.7
250.97495	2.1
255.03899	1.5
256.96436	9.2
257.06418	1.3
258.28186	0.7
274.97507	56.7
275.04214	1.9
275.07410	3.6
275.10901	12.6
275.97870	1.6
292.98566	29.5
293.05405	3.0
293.10654	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.6
53.03947	5.8
54.34412	0.5
55.01876	6.7
55.05511	2.8
56.96569	11.9
57.03441	20.5
61.02943	2.4
65.03942	1.2
67.05518	2.7
68.05021	0.7
68.99792	0.6
69.03434	100.0
69.95126	1.6
70.03761	1.0
71.01360	7.3
71.04996	10.0
71.95271	1.7
73.02927	6.8
79.05492	1.4
81.03422	33.9
81.07072	0.7
82.03768	0.8
83.01347	4.4
83.04991	10.3
84.04520	1.3
84.96033	2.5
85.02910	52.6
87.04471	2.2
91.05492	1.4
93.03423	0.7
95.04990	4.7
95.06139	0.7
95.47005	0.5
96.04507	4.3
97.02899	30.8
98.97590	66.0
99.00836	0.6
99.04459	17.1
99.97961	0.8
100.02198	2.8
101.00890	1.4
101.02397	5.4
103.03932	1.1
107.04967	1.7
109.02887	14.5
110.97573	10.8
111.04463	6.4
112.99128	5.7
113.02373	6.2
113.05995	0.5
113.07154	1.4
114.05530	1.3
115.03974	1.6
116.98631	26.9
119.01939	1.8
123.04467	2.5
125.02374	1.0
125.07157	0.8
127.03923	56.3
128.04298	1.1
128.98625	7.0
129.05504	3.9
130.93288	0.7
131.00163	4.3
131.01947	0.8
131.03419	3.1
134.99673	6.8
135.04428	1.1
138.05501	1.1
139.03920	2.1
143.00134	1.0
145.03758	0.8
145.04959	13.1
146.02698	3.1
146.99669	2.4
149.01259	1.4
151.03885	2.8
153.05457	1.0
155.02000	0.9
155.03421	1.7
157.04929	1.3
158.99640	1.4
159.05072	0.6
161.01282	0.7
169.04887	0.8
170.99724	1.4
172.94365	2.9
173.02956	1.4
173.04422	1.5
177.00745	1.1
185.01157	0.6
189.00749	1.0
190.95415	1.8
199.06024	0.9
201.00726	1.5
208.96329	0.6
214.95416	1.6
219.01768	15.7
227.05515	0.9
229.06755	0.7
232.96507	2.4
233.03307	0.6
237.02818	21.3
248.40233	0.5
250.97493	0.9
251.55899	0.5
255.03880	1.0
256.96463	5.4
257.06616	1.8
274.97519	32.9
275.04288	2.4
275.07440	3.5
275.10828	2.0
275.97632	0.9
292.95282	0.9
292.98578	17.4
293.05319	3.7
293.98740	0.7
297.99176	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76985	0.4
53.03933	0.6
55.01874	0.5
56.47443	0.3
56.96567	3.6
57.03443	0.4
66.26118	0.4
69.03436	3.2
70.10355	1.2
71.84178	0.4
71.95254	0.7
71.97031	0.4
73.02919	0.4
81.03429	2.5
84.04506	1.7
84.08143	0.4
85.02914	2.8
85.46738	0.5
95.04958	0.5
96.04490	2.0
97.02911	2.0
97.73849	0.5
98.06052	1.0
98.97590	16.6
99.04466	0.6
109.02875	1.0
113.02325	0.6
116.98630	10.7
119.01912	1.2
126.05518	1.6
127.03897	1.5
128.98633	0.4
131.03365	0.5
134.99651	4.1
138.05504	10.4
141.70604	0.4
144.06555	1.8
153.00705	0.7
168.06554	1.4
172.94287	0.7
186.07631	1.0
188.03981	1.2
189.04390	0.9
190.95488	0.7
194.20119	0.4
205.66191	0.4
207.05530	0.5
217.07185	0.6
221.47697	0.5
232.96454	0.8
233.03365	0.4
249.49550	0.4
250.97342	0.4
256.96448	1.4
274.97531	13.0
275.11017	100.0
276.11169	2.4
292.98584	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	275.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34438	2.1
53.03947	9.2
55.01882	3.7
55.05518	3.7
56.96569	17.2
57.03434	11.1
57.07090	3.1
61.02924	3.4
65.03947	2.3
67.05510	16.2
69.03435	47.7
71.04987	3.2
73.02927	7.1
79.05511	2.8
81.03425	66.8
81.07077	2.7
82.03777	2.6
83.04977	11.5
84.04507	7.0
85.02909	25.5
85.06561	14.2
94.67709	2.3
95.04987	5.4
96.04498	6.8
97.02905	22.2
98.97588	100.0
99.04446	10.7
101.00898	10.1
109.02885	5.9
109.06545	3.0
110.97600	3.3
113.00876	6.0
113.02347	3.4
113.07128	3.9
116.98630	59.4
119.01930	19.8
123.04426	2.8
125.07060	2.9
126.05547	4.8
127.02377	3.0
127.03913	16.9
129.60518	2.4
130.05003	3.7
131.00145	2.5
131.01892	13.3
133.03502	2.5
134.99660	15.6
135.04614	4.0
138.05522	19.5
140.78751	2.5
143.01917	8.7
144.05299	13.6
144.06404	3.7
145.03482	6.6
145.05069	2.9
153.05782	10.9
155.01913	19.6
158.99626	4.5
161.02991	11.9
164.56543	2.9
168.06538	4.0
169.03426	3.0
172.94347	6.3
173.02969	24.5
177.00758	4.7
184.05882	2.3
185.02980	5.5
185.06644	9.0
186.07588	3.7
187.04442	2.8
188.03998	4.5
190.95461	2.9
197.06622	7.6
203.04066	3.6
204.07535	2.9
215.04019	7.1
215.07631	4.7
221.05060	6.3
232.96414	4.9
233.05109	4.1
237.02843	5.7
250.97488	3.6
256.96533	9.1
274.97498	64.9
275.11115	16.9
287.09717	7.6
292.98578	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03929	2.1
55.01868	3.9
55.05508	14.3
55.06083	0.6
57.03425	2.6
57.07054	1.0
59.24671	0.7
65.03938	1.4
67.05503	19.6
69.07060	9.2
71.04982	2.8
71.07339	1.5
79.05488	21.1
81.03400	0.8
81.06588	1.3
81.07050	22.5
83.04964	2.4
83.08602	3.2
85.06523	1.2
91.05476	35.3
92.05819	1.0
93.07037	18.8
95.04963	3.7
95.08602	12.4
97.06514	2.0
97.10158	2.7
99.08088	0.8
102.54148	0.8
103.05434	1.3
104.06307	0.9
105.07027	49.3
106.07338	0.9
107.04936	6.0
107.08588	12.8
109.06531	4.7
109.10152	7.1
111.08090	1.4
117.07003	11.6
119.04792	0.7
119.08574	35.3
121.06454	4.0
121.10129	9.0
123.08081	3.3
123.11687	1.5
125.09570	0.9
128.06241	0.9
129.06987	2.3
130.07751	0.8
131.08563	15.2
133.06459	2.0
133.10124	31.5
134.10426	0.9
135.08038	4.5
135.11714	5.7
137.09618	3.7
141.06973	1.2
143.08559	2.8
145.10112	12.8
147.07979	1.4
147.11687	19.7
149.09610	9.1
149.13277	1.9
151.11174	1.8
155.08571	1.6
157.10124	3.2
159.11699	9.3
160.12439	0.8
161.09592	2.4
161.13228	5.5
163.11177	5.3
163.14824	1.0
165.12730	0.9
169.10101	2.0
171.11678	2.3
173.13232	4.0
175.11165	2.2
175.14763	0.9
177.12711	1.6
183.11662	1.5
185.13226	1.9
187.11101	0.8
187.14880	1.3
189.12720	0.7
191.14243	1.3
197.13211	1.1
201.12733	1.1
201.16425	1.0
203.14291	1.1
211.14845	1.0
216.83054	0.7
219.17371	1.5
229.19411	2.2
239.17908	4.2
247.20604	2.9
250.76552	0.7
257.19003	11.1
275.20038	100.0
275.27774	2.4
276.20508	3.5
294.20615	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	Apo-13-zeaxanthinone
Peak:m/z	Relative Intensity
55.05492	2.6
57.03449	0.7
58.41624	0.5
60.42949	0.6
67.05483	2.3
69.07068	11.1
69.59328	3.6
69.59631	0.7
71.04974	1.0
79.05476	1.3
81.07054	4.6
83.08595	1.7
83.95555	0.6
84.81348	0.7
91.05460	2.9
93.06554	0.8
93.07047	8.3
95.04955	1.7
95.08608	6.4
97.06514	1.2
98.23305	0.7
98.74715	0.7
105.07020	3.8
107.04968	0.9
107.08575	4.3
109.06509	2.1
109.10143	2.3
111.08080	22.8
111.11702	0.7
112.08372	0.6
113.09662	0.9
117.07035	1.5
119.08580	3.6
121.06505	2.5
121.10139	4.9
122.07281	5.3
123.08070	14.7
123.11665	1.5
131.08557	3.7
133.10086	3.2
135.07092	1.2
135.08057	18.5
135.11685	2.5
136.08701	0.6
137.09633	0.8
143.08548	1.4
145.10149	4.0
147.07961	0.9
147.11717	2.9
148.08853	0.8
149.09644	1.9
149.13258	1.1
157.10094	1.0
159.11703	3.7
161.09601	2.5
163.11142	2.3
163.14702	0.6
165.12758	2.3
171.11755	3.4
173.13277	2.0
175.14874	1.1
176.11995	6.4
181.12225	12.7
183.11726	1.0
187.11255	0.8
187.14705	0.6
191.14307	100.0
192.14655	2.5
197.13132	0.6
199.14835	1.8
205.12233	0.7
208.14682	0.6
215.17921	0.9
217.15903	3.0
257.19128	3.3
275.20068	25.7
276.20386	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03942	2.4
55.01872	2.2
55.05513	14.1
57.03432	5.1
57.07064	4.0
58.52985	1.0
59.04988	1.2
62.98511	0.9
64.51613	1.0
67.05182	1.4
67.05507	19.3
69.06730	1.3
69.07070	11.6
69.76509	1.7
69.76850	3.1
70.06574	3.3
71.04998	6.1
71.06930	1.0
71.08618	1.6
77.03914	1.0
79.05065	1.8
79.05495	21.4
81.07060	21.5
83.04980	4.4
83.08613	4.5
85.06558	4.9
88.07629	4.8
91.05486	37.8
93.07042	19.6
95.04957	3.5
95.08607	15.6
97.06547	3.2
97.10180	2.1
102.09148	1.4
105.04578	1.4
105.07028	55.2
106.07346	1.8
107.04939	4.1
107.08588	19.2
109.06496	5.8
109.10157	7.4
111.08083	6.0
115.05463	1.4
117.07027	13.1
118.07835	1.2
119.08583	43.0
121.06483	3.2
121.10136	13.3
123.08074	3.9
123.11715	2.8
128.06287	2.2
129.07011	5.2
130.07802	1.2
131.08559	21.4
133.10129	35.0
135.08052	8.8
135.11687	6.3
137.09610	4.3
137.79527	1.1
139.11223	1.1
141.07034	1.8
142.07800	2.0
143.08565	8.1
145.10124	18.6
147.08058	2.3
147.11691	23.0
147.12779	0.8
149.09650	5.7
149.13254	2.4
151.11217	1.9
155.08569	2.0
156.09293	2.4
157.10121	10.9
158.10939	3.2
159.11693	23.6
161.09550	1.2
161.13257	5.5
162.69702	0.9
163.11147	3.2
165.12672	1.8
169.10121	3.4
171.11668	5.2
173.09593	1.4
173.13248	24.4
174.13966	3.4
175.11252	5.6
175.12518	1.1
175.14804	2.8
177.12782	3.1
183.11711	3.6
184.12395	1.2
185.13284	4.9
187.11108	1.5
187.14809	3.0
189.12822	1.7
191.14235	5.5
197.13263	3.7
199.14827	6.0
201.12766	4.5
203.14351	2.7
206.51926	1.1
211.14851	1.5
213.16434	2.5
215.17999	2.9
217.15840	2.5
219.13826	1.5
219.17387	2.0
229.19484	1.4
239.18057	6.4
247.20570	3.1
257.19028	13.9
257.26700	1.5
274.27335	1.3
275.20068	100.0
275.27762	31.4
276.20377	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	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.01875	6.7
55.05510	14.7
57.07068	9.6
60.02348	2.3
60.67804	2.2
64.14215	2.4
67.05508	20.5
69.07065	10.2
70.06598	3.9
71.04987	11.2
71.06944	2.8
76.19468	2.4
79.05504	17.3
81.07056	21.8
83.04989	9.1
83.08615	6.5
85.06544	8.6
88.07642	6.2
91.05484	41.5
93.07047	21.5
95.04980	6.4
95.08613	21.9
97.06531	6.2
98.23379	6.2
99.08087	3.0
105.07037	51.6
106.07465	2.2
106.08683	5.1
107.04935	2.9
107.08561	19.4
109.06516	12.7
109.10154	9.0
111.08096	8.1
115.05425	3.7
116.98654	2.4
117.07050	16.5
119.08581	38.6
121.06483	5.3
121.10139	23.4
123.08070	5.5
123.11690	4.9
129.06993	7.9
131.08583	37.5
133.06476	3.2
133.10129	39.3
135.08044	16.7
135.11679	6.2
137.09621	5.0
141.06996	10.0
142.07759	6.5
143.08572	15.7
144.09315	5.4
145.10101	28.9
147.08047	3.4
147.11693	18.9
149.09607	7.6
155.08572	6.6
157.10072	22.6
158.10902	6.7
159.11702	40.2
161.09637	5.6
161.13315	6.3
163.11220	5.2
169.10143	4.6
171.11629	12.9
173.09694	5.1
173.13260	44.3
174.14044	5.7
175.11201	10.0
175.14771	3.7
177.09171	3.2
177.12790	8.9
183.11670	16.1
184.12453	2.9
185.13251	3.5
187.11234	5.5
187.14793	11.7
189.12759	4.1
191.10600	2.8
191.14342	9.2
197.13319	3.8
199.14807	12.9
201.12752	11.6
213.16368	5.2
215.14326	6.7
215.17986	5.2
219.13802	3.1
228.78958	3.1
229.15814	8.8
229.19621	3.2
237.42438	2.4
239.17950	6.8
247.17018	4.2
257.19031	27.8
274.27390	4.5
275.16479	14.5
275.20078	100.0
275.27747	49.3
276.20587	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.82574	1.1
53.03942	2.1
55.01870	1.8
55.05517	13.3
57.03430	3.4
57.07063	3.5
59.04992	1.4
65.03944	1.5
66.22016	1.0
66.46974	1.0
67.05511	16.9
69.03439	1.7
69.07067	12.9
69.76472	4.3
70.06604	5.1
71.04985	4.5
71.08636	1.7
79.05493	17.5
81.07063	19.5
83.04974	4.3
83.08626	6.1
85.06530	3.4
88.07631	4.9
89.07966	1.7
91.05484	44.0
93.07039	21.2
95.04961	3.1
95.08607	18.0
97.06534	2.3
97.10137	1.6
103.05442	1.6
105.07032	61.4
106.08659	3.4
107.04948	2.3
107.08581	16.9
109.06532	7.1
109.10170	6.6
111.08078	6.3
115.05504	1.1
117.07021	13.1
119.08584	44.3
121.06513	1.7
121.10139	13.0
123.08064	1.9
123.11720	2.4
129.06993	4.4
131.08566	22.6
133.10129	37.6
134.10478	1.4
135.08066	9.5
135.11696	4.6
137.09610	3.1
141.07005	1.1
142.07788	2.6
142.90523	1.2
143.08554	8.0
144.09259	2.2
145.10130	18.1
147.08086	1.4
147.11690	24.4
148.12000	1.4
149.09613	7.4
149.13217	1.5
151.11211	1.6
155.08624	1.7
157.10143	11.1
158.10873	3.3
159.11693	27.1
161.09656	2.1
161.13226	7.7
163.11183	3.6
167.52161	1.2
168.09332	1.6
169.10104	3.2
171.11659	4.7
173.09517	1.0
173.13266	22.7
174.13943	1.5
175.11203	3.9
175.14815	4.4
177.12749	4.4
179.10851	1.1
183.11656	5.9
184.12376	1.1
185.13304	5.4
187.11177	2.6
187.14832	2.6
189.12743	1.6
191.14293	5.8
193.12294	1.4
197.13280	4.3
199.14882	5.7
201.12770	3.5
203.14273	3.2
211.14816	1.9
219.17328	1.8
239.17892	6.7
247.20552	1.7
257.19000	16.5
257.26688	2.1
275.20065	100.0
275.27747	37.1
276.20422	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	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.05507	0.8
51.92570	0.8
53.03943	1.9
55.01877	12.5
55.05514	17.8
57.03424	1.8
65.03944	2.0
67.05507	26.8
69.03431	1.3
69.07072	13.2
69.15879	2.2
69.16283	6.2
71.04980	2.0
77.58298	0.9
79.05495	28.9
81.06586	2.2
81.07057	39.8
83.04981	3.5
83.08620	6.0
85.06532	1.9
91.05479	55.6
93.07043	25.1
95.04961	5.8
95.08598	14.4
97.06539	20.6
97.10155	2.8
102.24223	1.0
103.05427	2.7
103.43543	0.9
105.07029	92.6
106.07357	1.0
107.04963	10.9
107.08591	17.6
109.06507	3.7
109.10136	8.4
111.08051	1.1
115.05424	2.1
115.07445	0.9
117.07011	15.2
119.08578	43.4
120.73821	1.0
121.06480	2.7
121.10127	8.1
123.08056	2.5
123.11694	3.1
125.09665	1.4
129.07037	2.3
131.08572	20.4
132.09315	1.2
133.10126	52.6
134.10503	1.5
135.08058	3.2
135.11681	5.6
137.09627	2.3
140.07851	1.1
143.08531	2.0
145.10126	14.6
147.11696	22.0
148.11980	1.3
149.09618	13.3
149.13252	1.9
151.11218	1.7
155.08595	2.5
157.10130	2.8
159.11699	8.1
161.09615	1.9
161.13271	4.0
163.11160	3.2
165.09125	3.0
169.10150	1.5
171.11652	2.2
173.13281	3.6
177.12698	1.9
179.14319	1.6
183.11720	2.1
185.13217	2.1
187.11284	1.0
197.13251	3.2
219.17511	1.5
229.19473	3.5
239.17982	3.0
247.16762	1.2
247.20592	4.9
257.19012	11.1
258.37305	1.0
275.20047	100.0
276.20358	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03946	3.6
53.98365	0.9
54.07047	0.7
55.01884	4.5
55.05516	17.7
57.03444	1.2
57.07070	2.6
57.58223	0.8
63.12325	0.8
65.03935	1.8
67.05508	27.0
69.03427	2.0
69.07076	13.8
69.82233	0.8
71.04989	4.3
72.41586	0.9
79.05496	26.8
81.03410	3.8
81.07056	27.6
81.08199	0.9
83.04978	3.8
83.08630	7.0
85.06522	1.9
91.05484	40.0
93.07044	25.3
95.04974	6.3
95.08611	21.8
97.06516	4.5
97.10190	1.9
97.20175	0.9
99.04438	1.1
103.05475	2.1
105.07034	53.4
107.04951	13.2
107.08596	15.7
109.06507	5.0
109.10153	7.2
111.08063	2.0
113.09734	0.8
114.50219	0.8
116.06211	0.8
117.07019	13.8
119.08585	35.8
121.06519	6.5
121.10145	10.0
123.04481	1.3
123.08067	7.0
123.11694	1.4
125.09628	2.6
129.06993	3.0
131.08572	17.3
133.06488	2.4
133.10132	38.3
135.08032	6.3
135.11696	6.5
137.09618	3.8
141.07013	1.7
143.08557	3.1
145.10129	15.1
147.08043	2.3
147.11685	19.7
149.09630	8.8
149.13263	2.3
151.11221	3.8
155.08595	2.1
157.10124	3.4
159.11714	9.9
161.09590	2.5
161.13237	6.8
163.11218	6.3
163.62953	1.1
165.09155	2.4
165.12793	1.2
169.10120	2.0
171.11720	3.6
173.09656	1.0
173.13243	5.4
175.11215	2.9
175.14838	2.0
177.12727	2.9
179.10629	1.4
183.11617	1.8
185.13263	1.4
187.11258	2.4
187.14853	1.9
189.12732	1.6
189.16264	1.3
191.14322	2.1
197.13275	2.3
201.12750	2.0
201.16386	1.1
205.12263	1.0
215.14371	1.3
215.17918	2.0
219.13806	1.0
229.19499	3.1
233.19017	1.2
239.17964	3.8
247.20576	5.6
257.18964	10.8
275.20074	100.0
275.27783	5.3
276.20474	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	275.2006
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03936	2.4
55.01865	2.5
55.05509	12.9
57.03415	1.5
57.07060	0.8
65.03912	1.0
65.78352	0.6
67.05504	17.4
69.03410	1.0
69.07065	10.5
70.56066	1.2
70.65239	0.5
71.04972	2.5
77.03898	1.1
79.05489	21.8
81.03428	0.7
81.06590	1.0
81.07056	18.0
83.04967	2.5
83.08617	5.3
85.06542	1.3
88.07654	0.9
89.33978	0.5
91.05479	41.3
92.05795	0.7
93.06474	1.0
93.07041	17.3
93.72541	0.6
95.04973	3.1
95.08039	1.1
95.08606	10.6
95.09184	1.3
95.69238	0.6
97.06523	3.1
97.10141	2.1
98.22653	0.7
98.97551	0.7
103.05454	2.4
104.06255	0.8
105.07027	56.3
106.07326	1.3
107.04938	4.3
107.08588	16.5
108.19756	0.6
109.06507	2.9
109.10145	4.5
111.08095	1.2
115.05500	1.3
117.07015	10.2
119.08578	35.3
121.06500	2.3
121.10134	7.0
123.08060	2.0
123.11675	1.7
125.09605	2.2
129.06972	2.4
130.07806	0.7
131.08563	15.3
133.10123	34.6
134.10445	0.9
135.08035	4.4
135.11656	3.4
137.09628	1.7
141.06985	1.8
143.08588	2.5
144.09254	0.8
145.10115	15.0
146.10956	0.7
147.08052	1.5
147.11684	25.1
149.09608	7.0
149.13272	1.6
151.11134	1.7
155.08530	1.9
157.10112	2.6
159.11678	7.6
161.09579	1.7
161.13234	5.9
163.11160	4.3
165.09140	0.7
169.10114	1.8
171.11687	2.8
173.09680	0.7
173.13232	4.3
175.11211	1.2
175.14850	1.1
177.12755	1.7
179.10655	0.7
181.12236	0.8
183.11673	2.0
185.13194	0.9
187.11171	1.5
187.14793	0.8
189.12714	1.0
197.13258	2.0
199.14856	1.1
201.12692	1.2
205.12263	0.6
211.14786	1.2
215.14529	0.7
215.17900	0.8
219.13701	1.0
229.15915	1.0
229.19481	2.5
233.15352	0.7
233.19066	0.7
239.17996	3.4
247.20549	3.0
257.18979	6.9
275.20047	100.0
276.20413	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03934	1.6
54.99034	0.5
55.01872	3.1
55.05511	12.3
57.03412	1.3
57.07065	0.8
62.82062	0.6
65.03938	1.5
67.05505	17.9
67.83621	0.5
68.53054	0.5
69.07065	10.3
69.46532	1.2
69.46942	1.7
71.04987	2.6
77.82398	0.5
79.05490	17.7
81.03420	0.6
81.07053	18.7
82.07356	0.6
83.04982	2.5
83.08612	5.1
84.14062	0.5
85.06534	1.6
88.07596	0.9
91.05478	37.6
93.07038	17.9
95.04969	4.5
95.08604	12.4
97.06519	2.5
97.10162	2.3
103.05449	1.9
105.07024	59.3
106.07346	1.1
107.04944	4.5
107.07864	0.7
107.08590	13.4
109.06517	3.4
109.10155	5.9
111.08080	1.2
113.05993	0.5
115.05447	1.2
116.06221	0.5
117.07010	9.3
119.08578	33.1
121.06502	2.8
121.10139	7.1
123.08049	1.5
123.11689	1.4
125.09602	0.9
129.06999	2.6
130.07773	0.9
131.08568	14.9
132.09329	0.6
133.06477	1.3
133.10123	32.0
134.10480	0.5
135.08060	3.6
135.11647	3.5
137.09607	1.7
141.06941	1.0
143.08571	3.0
145.06430	0.9
145.10118	14.1
146.10913	0.6
147.08095	1.4
147.11673	24.2
148.12047	0.7
149.09619	6.3
149.13268	0.8
151.11182	0.9
153.12651	0.7
155.08559	1.3
157.10139	2.9
159.11684	9.1
160.12268	0.8
161.09636	1.5
161.13281	5.6
162.28674	0.5
163.11174	3.8
165.09056	1.4
169.10065	2.4
171.11688	3.2
173.13260	4.1
175.11137	0.9
175.14891	0.9
177.12729	1.5
179.03355	0.5
179.10803	0.5
181.12134	0.5
183.11713	1.9
185.13228	1.5
185.78081	0.5
187.11208	1.1
187.14830	0.8
189.12727	0.6
191.14288	0.8
197.13251	1.5
199.14857	0.7
201.12656	1.4
203.14464	0.5
207.13699	0.6
211.14925	0.9
213.16458	0.9
215.14337	0.7
215.17856	0.5
219.13885	0.7
229.16020	0.6
229.19522	2.2
233.15352	0.6
233.18970	1.2
239.17944	3.5
247.20522	3.5
257.19003	8.5
275.20050	100.0
276.20459	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	276.1078
Annotation	1,6-Anhydro-N-acetyl-beta-muramate
Peak:m/z	Relative Intensity
53.03936	1.0
55.01867	1.0
55.05496	0.7
56.05027	1.7
60.04518	1.8
61.02913	0.6
68.05013	1.0
69.03439	4.5
69.83900	1.9
70.06597	2.0
71.04984	1.1
72.04507	0.5
73.70409	0.5
80.05022	2.4
81.03432	3.9
82.06580	1.1
83.01345	0.9
83.04993	0.6
84.04507	13.1
96.04494	21.4
97.02880	5.1
98.02374	0.9
98.06052	10.7
98.23369	0.9
98.97585	0.7
99.04459	1.6
100.04002	1.0
101.02385	0.6
108.04520	1.2
109.02880	5.9
109.26991	0.5
110.06032	0.5
114.05521	1.4
115.12045	0.4
124.03906	1.0
126.05521	21.0
127.03904	1.9
138.05505	100.0
139.05858	1.7
144.06564	23.0
168.05130	0.9
168.06566	14.8
169.15161	0.5
186.07620	8.4
228.95163	0.5
269.66632	0.4
276.10916	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	276.108
Annotation	Cardiospermin
Peak:m/z	Relative Intensity
53.03950	5.5
55.01875	6.1
55.05507	2.0
56.05042	3.8
56.96562	2.4
57.03445	6.1
61.02928	6.4
68.05032	11.0
68.25207	0.9
69.03436	31.3
70.03762	8.5
71.01354	1.2
71.04613	1.0
71.04995	3.7
71.28281	1.2
73.02927	2.8
75.51335	1.0
81.03422	13.3
82.03752	3.5
83.05020	1.0
84.04510	23.4
84.05302	2.0
85.02910	29.6
86.03262	3.9
86.09653	1.1
87.04472	2.1
89.41039	1.0
96.04498	100.0
97.02903	16.8
97.04826	1.6
98.03205	2.3
98.06042	3.6
98.97597	7.8
99.04453	5.0
100.04814	2.2
101.00883	2.4
101.02439	1.1
109.02902	4.3
110.03216	1.1
110.06064	1.3
110.97602	2.1
111.97958	1.0
112.99142	1.5
114.05533	27.4
114.06274	1.9
115.03960	2.7
116.98627	2.6
119.01913	2.9
126.05530	3.1
127.03931	11.9
128.04254	6.7
128.98633	1.2
131.00182	1.3
131.01926	1.2
132.01971	1.6
133.03476	1.8
138.05511	7.4
144.06564	1.5
145.04997	4.1
146.05284	1.8
156.06454	1.1
157.03435	2.1
161.02974	2.4
173.02995	1.3
174.03116	2.2
174.04616	1.2
175.04552	1.6
187.04498	1.1
191.04013	1.0
199.04482	1.5
200.08485	1.1
219.01755	2.4
220.01965	1.1
221.05034	1.2
238.03177	2.9
245.05164	1.0
259.06573	6.7
275.97644	1.1
276.10657	4.7
277.07593	1.2
293.99042	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.3
54.04270	0.9
55.01873	5.7
56.05026	4.0
56.96578	2.1
57.03436	4.9
57.51583	1.0
58.06588	1.5
61.02914	5.3
68.05031	13.4
69.03431	24.5
70.03751	5.6
70.49899	2.2
71.01342	0.9
71.04986	2.3
73.02909	3.6
73.93223	0.8
75.26454	0.9
80.04980	1.1
81.03416	9.7
82.03766	1.3
83.01329	1.0
83.04992	1.0
84.04504	25.2
85.02905	29.0
85.06497	0.9
86.03233	3.5
86.09695	1.6
87.04478	2.2
91.03957	1.6
96.04489	100.0
97.02889	19.7
97.04795	0.9
98.03233	1.9
98.06046	2.7
98.97572	10.2
99.04464	2.7
99.97929	1.5
100.04789	1.1
101.00894	2.0
108.04446	0.9
109.02885	3.5
110.03191	1.0
110.97580	2.4
112.99132	1.2
114.05527	29.8
115.02479	1.2
115.03938	5.9
116.98631	2.8
118.37360	0.9
118.81440	0.8
119.01936	1.5
126.05544	2.8
127.03911	8.6
128.04247	5.0
128.98607	0.9
131.01901	2.1
133.03458	1.1
138.05499	9.7
143.01874	2.5
144.06554	1.8
145.03462	1.4
145.04984	4.3
147.03172	1.2
155.01912	1.2
157.03534	1.3
159.03943	1.9
161.02991	2.6
161.62178	0.9
167.02795	1.1
168.06651	2.1
173.02925	1.2
195.04047	0.9
200.08571	2.5
203.03978	1.5
219.01703	1.4
237.02872	1.2
258.06558	1.0
259.06726	1.9
275.97827	3.8
276.10638	4.1
293.98853	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.008
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65862	2.7
56.96568	8.6
69.12897	7.3
69.13317	18.0
70.95865	3.7
98.22623	7.0
98.97579	100.0
116.98620	53.7
119.01946	6.0
134.99670	13.2
140.00140	3.4
162.38708	3.1
163.03937	8.1
179.00754	7.3
192.94823	4.0
198.33884	3.4
201.15521	3.2
210.95993	10.3
234.95938	5.7
252.97017	10.0
253.96797	3.9
258.99765	47.9
267.95819	3.9
276.97049	20.2
277.00833	69.0
277.04269	4.9
277.04788	4.1
294.98013	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	277.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
64.89111	0.4
69.50094	1.0
69.50484	1.0
97.02867	0.8
101.00866	0.7
104.92778	0.4
106.78250	0.5
119.01922	0.9
121.54288	0.4
133.03471	0.6
161.02922	0.9
175.02736	0.8
189.03508	2.7
190.03777	3.7
197.53119	0.4
200.40569	0.5
217.19315	0.4
267.46619	0.5
277.08884	100.0
277.64636	0.5
278.09213	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0916
Annotation	Ranunculin
Peak:m/z	Relative Intensity
53.03930	4.8
54.24390	2.6
55.01867	3.1
55.05499	3.3
57.03430	4.9
61.02937	3.3
61.04904	2.7
69.03429	38.1
69.43269	8.8
69.43697	8.3
76.27825	3.1
79.05465	2.8
80.05013	3.9
81.03428	11.7
83.04964	2.8
84.04503	8.3
84.08142	11.1
85.02909	47.2
85.04920	2.6
96.04502	8.8
97.02886	89.4
97.04819	6.4
98.06041	10.9
98.97594	3.4
99.04454	5.3
101.00877	23.4
103.03955	2.9
109.02874	6.9
111.04467	4.3
113.00880	4.7
115.03931	52.8
116.07101	10.0
119.01916	49.9
121.01649	5.2
126.05518	5.8
127.03922	11.0
127.05856	7.2
130.04941	3.6
130.08678	3.6
131.01933	9.9
131.62784	3.0
137.02940	7.8
138.05547	17.8
139.05832	37.1
143.01926	22.9
145.03464	9.0
145.04953	12.1
145.06885	3.9
155.01917	12.0
157.03450	12.4
161.02969	57.5
167.01814	3.4
169.06973	4.8
173.02985	9.2
175.02986	4.6
175.04575	15.2
176.12935	3.8
185.02940	14.7
187.04619	6.2
187.07928	3.6
189.03493	3.6
190.03914	6.1
197.02962	8.6
201.12390	3.5
203.04057	6.4
245.05063	39.5
246.05191	2.8
276.39871	3.1
277.09030	100.0
278.09451	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	277.0919
Annotation	Ranunculin
Peak:m/z	Relative Intensity
51.51093	2.7
53.03939	4.3
55.05498	6.7
56.96555	8.0
57.03429	6.8
61.02915	4.6
68.05045	3.4
69.03432	57.9
70.06580	7.4
72.87327	3.1
73.02905	6.3
73.20786	3.3
80.05021	11.5
81.03430	16.6
83.04982	3.7
85.02912	43.9
96.04466	8.1
97.02895	75.1
97.04847	7.4
97.50287	2.8
98.06074	15.5
98.97599	19.2
99.04447	12.9
101.00864	6.3
109.02910	4.1
110.97569	4.7
115.03151	6.3
115.03934	100.0
116.07092	21.2
116.98612	7.2
119.01913	7.3
127.03926	14.6
128.98625	4.2
131.01929	6.2
133.01683	3.5
138.05293	4.1
143.01953	5.0
144.90283	3.5
145.04941	9.6
147.05756	5.7
152.05009	4.2
158.99719	2.8
161.02962	10.6
170.99648	3.2
173.02989	7.2
175.02782	4.7
175.04544	4.1
177.00713	3.8
185.03064	4.6
187.06241	3.5
199.99001	3.4
203.03972	5.3
219.01704	5.8
236.14915	4.8
237.02794	4.9
245.05006	4.5
259.06631	5.7
277.07675	7.2
278.57538	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16981	0.3
50.53975	0.3
53.03936	0.4
55.01851	0.4
56.05039	2.1
62.52420	0.4
62.68975	0.3
63.40709	0.3
64.43794	0.3
66.51617	0.3
67.05507	0.6
69.03425	2.2
69.07092	0.4
69.65940	0.3
70.06577	1.4
70.24760	1.2
71.04995	0.3
75.72021	0.3
77.03891	0.4
79.05492	1.3
81.03411	0.6
81.07069	0.4
82.18846	0.4
84.04502	44.0
85.02912	0.5
85.06513	0.9
91.05463	1.0
93.07051	1.8
95.04994	0.6
97.02839	0.6
97.06550	0.8
99.04440	0.6
103.05482	3.4
105.07028	0.9
107.04945	1.4
109.06530	0.3
115.05440	0.5
117.03391	0.4
120.08100	100.0
121.08440	1.9
131.04884	1.8
131.08606	0.4
133.02814	0.5
135.04427	0.7
137.05948	0.5
143.08594	0.4
146.06064	0.5
147.04382	0.6
148.07539	0.9
149.05981	1.6
159.11656	0.4
161.02330	0.8
163.03922	1.6
163.07541	0.5
163.38907	0.4
166.08630	36.2
167.08978	0.7
169.06514	0.5
185.09656	0.4
186.09158	4.8
187.07565	0.4
197.05724	0.4
203.11858	0.5
215.07040	0.9
231.11293	20.9
232.11627	0.8
234.06519	0.4
249.09154	0.5
259.10672	1.0
277.08646	1.3
277.11813	4.7
277.15247	1.3
277.18314	0.5
278.13705	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
53.03938	6.7
55.01871	2.3
55.05509	20.1
57.07074	4.0
58.30634	1.4
65.03917	2.4
67.05504	39.1
69.03437	1.7
69.07063	15.3
69.52960	6.5
71.04999	1.8
71.08629	3.3
73.90645	1.3
75.94032	1.5
77.03912	2.4
79.05491	79.2
80.22090	1.5
81.03413	1.7
81.07056	45.0
83.04975	3.0
83.08615	10.8
84.19103	1.3
85.06551	2.3
89.06023	1.9
91.05479	30.1
93.07043	100.0
95.04986	7.5
95.08607	25.9
97.06519	2.6
97.10166	6.1
99.08093	3.2
105.04508	2.9
105.07017	17.5
107.08592	54.2
108.75699	1.6
109.06555	2.9
109.10174	12.9
117.07017	3.1
119.08565	13.7
121.10143	52.5
123.08162	1.5
123.11672	3.2
129.06996	2.4
131.08571	5.3
133.10114	13.1
135.11693	58.4
136.12061	2.1
143.08569	3.2
145.10103	4.7
147.11688	8.4
149.09619	2.3
149.13258	29.1
149.14455	1.6
151.11215	2.6
157.10155	2.1
159.11740	4.1
161.13272	6.0
163.11137	3.5
163.14763	7.0
165.12656	1.7
167.10611	1.5
171.11700	4.5
173.13242	2.3
175.11259	2.0
175.14911	2.1
177.12793	1.7
177.16428	1.8
179.14270	3.1
185.13271	2.5
189.12724	1.9
193.12263	1.6
195.13831	3.8
199.14844	2.5
207.13698	2.1
213.16399	2.9
217.16040	1.6
221.15331	3.8
235.16971	4.7
241.19572	2.6
258.56500	1.6
259.20569	6.1
277.21640	91.8
278.21915	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	277.2162
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
51.02359	0.7
53.03944	4.0
55.01874	3.0
55.05511	18.8
57.03423	1.7
57.07076	2.2
65.03938	2.2
67.05505	42.1
69.03427	0.9
69.07069	16.4
71.04997	1.7
71.08630	21.6
73.06517	0.6
77.03915	1.2
79.05492	67.4
80.05807	1.0
81.03429	5.7
81.07057	54.4
83.04972	4.4
83.08618	8.8
83.09068	1.1
85.06540	2.5
85.65419	0.6
85.70036	0.6
91.04893	1.0
91.05479	31.4
93.07042	100.0
94.07375	1.4
95.04970	10.7
95.08605	33.9
97.06527	5.5
97.10175	4.1
99.08094	15.0
103.05508	0.7
105.04515	1.9
105.07032	20.8
107.04978	3.9
107.08594	54.6
108.08935	1.3
109.06515	3.5
109.10149	9.9
111.08064	1.9
113.09654	1.1
117.06997	3.3
119.06113	0.7
119.08579	12.1
121.06509	1.6
121.10141	44.8
122.10450	0.9
123.08042	2.7
123.11697	2.0
125.09591	1.0
129.07010	3.5
131.08578	5.2
133.06554	0.6
133.10139	8.9
135.08122	1.4
135.11690	55.4
136.12041	1.9
137.09610	2.5
137.13167	0.8
141.09129	3.4
143.08604	2.1
145.10120	4.5
147.08075	1.2
147.11661	6.8
149.09578	1.2
149.13260	14.9
149.14459	0.7
151.11180	10.2
157.10143	1.7
159.11723	3.1
161.09560	1.0
161.13261	7.3
163.11180	4.9
163.14798	3.8
165.12811	1.2
167.10732	2.7
171.11676	2.3
173.13339	1.3
175.11116	1.1
175.14877	2.1
177.12756	2.2
179.14310	24.9
181.12279	1.4
185.13289	2.1
189.12776	2.1
190.13074	0.6
193.12273	0.6
195.13814	2.6
199.14786	1.0
203.14328	0.9
207.13805	1.5
213.16376	1.0
221.15378	4.1
231.17448	1.0
232.78197	0.7
235.16959	2.9
241.19510	2.1
259.20609	4.7
277.21625	78.9
278.21988	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	277.2162
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03948	20.6
55.01879	9.5
55.05513	33.7
57.07083	10.5
57.07317	1.9
58.84186	1.7
62.14320	1.7
65.03946	3.9
67.05505	72.2
69.03438	2.6
69.07069	44.4
70.45509	1.7
71.04995	4.6
71.08625	15.8
71.81011	1.8
71.96793	2.0
73.18974	1.9
73.33069	1.7
77.76751	1.7
79.05494	60.2
81.03417	63.4
81.07056	70.3
81.07532	4.0
83.04975	12.8
83.08604	9.8
85.02892	2.6
85.06572	4.2
85.10194	2.7
88.57210	1.9
91.05479	45.7
93.07043	76.0
93.07634	4.2
94.07348	2.7
95.04963	41.0
95.08601	30.2
97.06532	4.8
97.10177	6.1
99.08115	9.1
105.04562	2.2
105.07033	38.1
107.04948	3.2
107.08588	39.2
107.25833	1.8
109.06527	13.5
109.10160	20.7
111.08096	5.2
113.09641	2.7
117.07025	8.0
119.08588	22.5
121.06527	6.0
121.10148	23.9
123.08093	4.1
123.11726	7.3
125.09654	5.6
129.07005	7.0
131.08566	6.2
133.06537	3.9
133.10118	28.7
133.81189	2.2
135.08026	11.0
135.11676	16.9
137.09711	2.5
142.07788	2.1
143.08562	4.7
145.10185	7.6
147.08022	2.8
147.11679	15.7
149.09573	2.4
149.13300	12.7
151.11194	40.5
153.09068	5.0
157.10175	5.9
159.11781	3.5
161.09659	7.2
161.13249	13.6
163.11189	4.5
163.14885	7.1
165.03769	3.8
165.12781	11.2
171.11729	7.2
175.11183	4.1
175.14896	4.6
177.12842	4.2
179.14282	11.2
185.13292	3.2
189.12817	3.8
193.10075	2.2
199.14799	2.6
207.11797	2.5
207.13826	6.4
217.19543	4.4
221.13432	2.9
221.15480	4.2
229.72160	2.1
231.21086	9.2
241.19620	6.5
249.22078	3.4
259.20563	9.9
277.21689	100.0
278.21982	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	278.1235
Annotation	Sachaloside V
Peak:m/z	Relative Intensity
53.03943	3.5
54.90566	1.3
55.01867	2.4
55.05510	15.0
56.96558	2.0
57.03432	2.8
61.02928	4.8
68.05029	26.7
69.03430	53.0
70.06597	30.4
70.47164	1.6
70.47471	2.4
71.05005	1.7
73.02900	3.5
80.05017	29.0
81.03413	26.4
82.06581	23.6
83.04971	6.4
85.02905	32.2
85.82620	1.4
91.03984	2.1
97.02884	13.7
98.06054	100.0
98.97582	20.7
99.04446	19.5
100.07612	12.2
109.02905	3.3
110.97595	2.6
116.07092	61.5
116.98637	6.0
127.03906	5.9
134.30850	1.4
134.99690	1.6
144.06541	2.5
145.04930	8.3
149.02394	2.0
158.08095	2.1
158.99641	11.2
162.07613	2.8
175.12071	1.4
177.00688	10.1
235.65533	1.3
243.08662	2.0
244.49739	1.4
254.71797	1.2
260.11288	2.9
278.12323	5.2
285.30188	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01520	7.6
53.70621	9.5
63.71822	8.5
69.03430	16.3
69.47412	38.8
81.03425	100.0
83.04992	10.2
85.02894	22.3
95.02709	8.9
95.04974	33.4
97.57533	7.8
98.97606	22.1
112.52712	7.7
113.24147	7.1
116.07127	8.3
123.04448	24.0
134.38536	8.9
149.02394	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	279.039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18769	0.2
53.03937	0.3
54.98645	0.5
55.01853	0.4
55.05515	2.4
56.96564	6.6
57.03429	0.3
57.07074	0.9
68.05034	1.4
69.03435	3.9
69.07079	0.3
70.03768	1.3
70.06588	0.7
70.98114	0.7
71.04992	0.6
71.28355	0.3
71.28758	0.4
71.95261	1.1
80.05028	1.6
81.03413	1.6
81.05348	0.8
82.03759	0.5
82.06590	0.4
83.04982	0.7
83.42719	0.2
84.96019	0.5
85.02913	2.8
86.03255	0.6
86.06073	0.6
87.04471	0.4
88.99161	0.3
97.02908	1.3
98.06042	2.4
98.97587	100.0
99.04459	1.7
99.06383	1.6
99.97947	0.7
100.04792	0.5
100.07648	0.5
100.99170	0.3
101.05989	0.3
102.96871	1.5
103.00649	0.4
110.97574	9.4
112.99171	0.7
116.07089	2.5
116.98625	43.3
117.05501	8.5
117.07376	1.3
117.39399	0.3
120.08072	0.3
120.97923	0.9
123.33941	0.3
127.03934	0.4
128.98602	10.2
131.00224	0.3
134.99663	14.5
138.98903	0.4
140.00175	0.7
140.07037	0.3
141.07367	0.4
143.00153	0.4
145.04956	0.4
146.99655	5.1
149.01282	0.4
149.02348	5.8
152.38853	0.3
153.00684	1.2
158.01318	0.4
158.99655	34.5
160.00053	0.3
161.01303	0.4
161.02924	0.4
162.07651	0.4
165.00670	0.9
168.03664	0.3
170.99661	4.3
177.00714	54.4
178.01028	0.9
189.00708	11.5
190.00836	0.3
195.01778	5.2
200.02275	1.3
201.00737	0.7
207.01773	6.2
218.99670	0.5
219.01793	8.7
223.01117	0.4
225.02919	0.4
230.03365	0.3
231.01846	0.3
237.02809	6.5
239.66776	0.3
241.02066	0.7
249.02936	0.3
255.03824	1.0
261.02722	0.4
261.06436	0.7
272.95367	0.6
278.96945	2.0
278.99472	0.4
279.00961	0.4
279.03864	3.0
279.10849	0.3
296.97861	1.4
297.04822	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00436	0.3
53.36911	0.4
55.13290	0.4
56.96563	6.9
67.11536	0.3
68.96558	0.5
69.03439	0.6
69.66587	1.2
70.98110	2.0
71.95255	1.7
82.45421	0.4
83.04984	0.4
85.02905	0.8
88.99148	1.3
97.02879	0.6
98.22675	0.5
98.97581	100.0
101.00896	0.6
110.97572	25.9
112.99097	0.6
114.85809	0.4
116.07079	0.6
116.98618	42.6
117.05456	0.6
119.01938	1.1
121.01678	0.9
128.98605	24.7
131.00191	0.6
133.01610	0.4
134.99655	11.5
135.00633	0.7
136.94038	2.1
140.00220	0.9
143.01915	0.4
145.01668	0.6
146.99640	11.5
147.00746	0.6
149.02315	4.0
152.00186	0.8
153.00745	0.9
158.99652	33.3
160.00020	0.5
161.02986	0.8
163.02704	0.8
165.00722	2.0
170.99657	11.8
177.00711	47.1
189.00710	26.0
195.01784	3.9
200.02235	1.3
201.00725	0.5
207.01746	14.0
219.01790	3.2
225.02820	0.9
237.02812	4.6
247.04880	0.7
249.02794	0.6
255.03937	1.3
279.03931	4.1
297.04965	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0742
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58927	1.3
55.05507	2.3
56.96562	6.1
57.03441	1.3
57.07077	10.6
65.03946	1.7
66.04069	1.3
66.09162	1.4
69.03417	1.9
69.07076	2.5
69.60152	4.7
69.60559	2.2
70.06615	1.8
72.08136	1.6
74.86148	1.4
76.86446	1.3
79.05483	2.6
81.07064	3.3
83.04948	2.3
84.04452	1.7
85.02898	2.4
86.09683	1.6
90.41439	1.5
91.05477	3.4
95.04950	1.9
98.97578	17.1
105.03389	2.2
105.07044	2.0
107.04966	3.1
110.97589	3.1
116.98621	10.7
117.07037	1.6
119.04953	3.5
121.02877	6.3
123.04401	1.9
128.98601	3.1
131.04991	1.5
131.08607	1.7
133.06522	2.3
134.09686	3.3
134.99637	2.4
141.71111	1.3
142.01740	1.4
145.06505	8.6
145.89510	1.3
146.99669	1.8
147.04395	15.6
149.02345	100.0
150.02724	1.7
150.65276	1.4
157.06569	2.2
158.01291	1.7
158.99667	3.8
159.07982	1.9
161.05983	4.0
163.04094	1.4
164.07024	2.2
164.43861	1.4
165.05490	2.2
167.03429	2.7
171.04428	2.0
171.08083	2.3
173.06023	7.4
175.02492	2.2
175.03973	1.4
177.00674	8.8
185.05923	2.6
187.07623	2.1
189.00737	3.9
189.05562	2.0
193.05003	1.8
195.01711	1.8
197.05984	4.1
201.05469	3.7
205.06488	7.4
207.01828	2.5
215.07104	7.0
219.06520	4.1
221.06070	3.4
223.07608	3.0
230.00232	1.4
233.06013	3.3
233.08115	3.0
233.12837	1.9
236.09552	1.5
239.06873	1.6
261.12350	3.3
261.15875	1.4
279.06393	7.2
279.09778	2.8
279.13409	5.4
283.06027	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	279.2318
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
52.26696	0.4
53.03949	1.5
55.01870	0.8
55.05511	10.0
55.51216	0.4
57.03443	0.9
57.07076	3.3
65.03947	2.9
67.05504	100.0
68.05827	1.2
68.56860	0.4
69.03443	0.4
69.07069	9.9
69.16068	3.3
71.04989	1.4
71.08628	0.8
73.06573	0.6
79.05491	14.9
81.07054	97.0
82.07396	1.3
83.04987	1.4
83.08614	5.6
85.06535	1.1
91.05474	5.2
93.07043	12.9
95.04977	0.8
95.08604	80.3
96.08949	1.5
97.06512	1.5
97.10162	3.6
98.23341	0.8
98.97598	0.7
99.08084	0.7
105.07024	4.9
107.08593	8.4
109.06523	1.3
109.10152	44.5
110.10516	1.0
111.08064	1.0
111.11749	1.0
116.98608	0.7
117.07012	1.2
119.08587	3.4
121.02867	0.8
121.06455	0.7
121.10145	8.8
123.08063	1.5
123.11704	23.8
124.12041	0.5
125.09640	1.1
127.07568	0.6
131.08574	5.3
133.10127	3.4
135.08054	1.6
135.11679	4.1
137.09598	1.4
137.13257	8.6
137.79199	0.4
138.13655	0.5
141.09114	0.7
145.10123	3.2
147.11681	2.3
149.02332	10.9
149.09599	1.5
149.13252	3.3
151.11171	1.2
151.14847	1.7
153.09113	0.7
157.10149	0.7
159.11691	2.6
161.13248	1.5
163.11180	1.5
163.14835	1.4
165.12733	0.9
165.16374	0.8
167.10658	1.0
173.13234	3.7
177.12753	1.5
177.16396	0.9
181.09930	0.4
181.12233	1.4
187.14818	2.8
191.14351	1.2
193.90735	0.4
195.13773	1.8
201.04605	0.5
201.16359	0.4
205.15932	1.3
209.15356	2.4
219.05725	1.8
219.20996	0.8
223.15073	0.4
223.16974	2.3
237.18489	1.2
243.21066	2.7
261.22131	5.1
262.08032	1.1
279.09290	2.4
279.19672	3.7
279.23178	37.3
280.23477	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2317
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03943	1.5
55.01859	0.7
55.05509	9.4
57.03423	1.0
57.07084	4.3
63.60922	0.6
65.03938	3.4
67.05505	99.0
68.05835	1.2
69.03408	0.8
69.06726	1.0
69.07069	11.5
71.05000	1.4
71.08646	0.8
71.28551	0.9
79.05064	1.1
79.05497	16.1
81.07055	100.0
82.07385	2.3
83.04976	2.1
83.08617	6.9
85.06542	1.7
91.05484	5.5
93.07043	15.8
93.07629	0.9
95.04999	0.9
95.08604	82.2
96.08965	1.5
97.06528	2.5
97.10152	3.7
99.08078	1.0
105.07009	6.4
107.08592	8.6
109.06503	1.2
109.10155	47.1
110.10502	1.0
111.08102	1.1
111.11726	1.0
115.07578	2.7
116.98673	0.8
117.07022	2.2
119.08579	4.2
121.06538	0.8
121.10134	10.0
123.08041	1.8
123.11710	27.9
124.12041	1.0
125.09606	0.6
127.07559	1.2
131.08572	5.0
133.06401	0.7
133.10129	3.4
135.08098	2.8
135.11696	7.3
137.09644	1.9
137.13245	9.9
140.44312	0.6
145.10133	4.4
145.11092	0.6
147.11673	2.7
149.02336	12.3
149.09616	1.8
149.13274	3.4
151.11195	1.1
151.14806	2.9
153.09032	1.1
159.11688	3.3
161.13252	2.4
163.11159	2.5
163.14842	1.8
165.05734	0.6
165.12767	1.4
165.16396	1.5
167.10725	1.5
169.10109	1.2
171.11633	1.4
173.13235	3.3
175.14816	1.8
177.12744	2.3
177.16365	1.0
179.08572	0.9
179.14317	1.3
181.12215	1.1
185.13277	0.8
187.14836	4.0
191.14281	1.0
192.72226	0.6
195.11975	0.6
195.13834	2.6
201.16362	0.7
205.15857	3.4
207.11690	0.8
209.13268	1.8
209.15370	2.8
219.05774	1.8
221.13214	0.7
223.14977	1.1
223.16965	3.1
237.18456	1.3
243.21068	3.4
261.22214	3.9
279.09036	3.0
279.19971	2.5
279.23215	38.7
280.23541	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	5.9
56.96556	2.6
57.03431	3.0
69.03421	3.6
70.85593	3.3
72.82300	1.8
81.03413	3.9
83.04979	100.0
85.02905	13.0
85.06539	8.5
95.04941	3.4
97.02880	16.1
97.06539	5.6
98.03265	2.0
98.97578	5.8
101.06027	15.2
102.19248	2.2
111.95023	1.8
116.98659	2.4
117.98994	2.1
127.03929	5.8
141.52271	1.8
145.04906	3.2
167.07054	8.8
177.00676	2.4
185.08095	7.0
197.08025	2.5
202.57849	1.9
209.08255	2.4
223.49319	2.0
227.09190	4.6
245.10243	2.8
280.13989	10.7
294.24313	2.1
300.19592	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.1
55.05503	0.3
56.05038	0.8
57.03438	0.2
58.81709	0.1
67.05492	0.2
69.03436	0.2
69.39090	0.9
74.05716	0.2
74.06081	1.9
81.03437	0.1
83.08614	0.3
85.02902	0.3
91.05439	0.2
92.02505	0.3
94.04041	0.4
95.04943	0.2
97.06463	0.1
98.23319	0.3
99.04414	0.2
101.09660	0.4
102.05523	0.9
107.04963	0.2
119.03543	5.0
120.06580	5.5
121.06441	0.2
136.06183	100.0
137.04593	3.1
137.06689	1.1
147.09163	1.2
158.94467	0.1
161.09668	0.2
162.04106	53.1
163.04535	0.9
235.08791	0.4
250.74083	0.1
253.59288	0.1
269.37286	0.1
281.09952	8.3
281.14722	2.4
282.10043	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1232
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
53.03946	6.3
53.85291	3.2
55.01870	7.9
55.05511	20.6
56.96575	13.4
57.03450	15.3
58.88123	2.7
59.05008	3.3
61.02932	20.6
67.72162	3.5
69.03432	44.4
71.04985	4.1
71.28055	3.8
72.69054	2.6
73.02920	30.1
73.06554	5.4
73.26915	2.8
81.03421	13.5
81.25705	2.6
83.04977	26.5
84.08163	3.9
84.96019	3.4
85.02908	100.0
85.06548	4.7
87.04478	5.7
89.00823	3.5
91.03979	5.7
97.02895	31.8
98.97590	77.7
99.04457	5.4
99.28042	3.2
101.00828	2.9
101.02425	3.4
101.06013	3.0
104.01299	8.9
108.01573	3.9
109.02872	8.7
109.86272	3.0
110.01299	12.1
110.97607	14.2
116.98642	31.9
119.01801	23.0
119.06981	3.5
125.01833	4.4
127.03925	26.8
128.02336	12.0
128.98628	20.3
131.01830	5.2
134.99640	8.4
136.06239	3.9
137.01804	4.1
140.02335	10.3
143.01866	3.3
145.04968	19.2
146.02304	15.0
146.99701	11.0
149.02887	4.3
150.07819	4.3
152.02342	13.2
155.02867	17.0
158.99646	32.0
161.01320	5.2
161.02887	12.9
164.03273	3.3
170.03357	8.1
170.99641	15.5
177.00728	34.4
182.03348	24.5
182.53491	3.8
188.87642	3.1
189.00725	24.7
191.03891	76.1
191.05490	6.1
200.02676	2.5
200.04424	59.5
200.06285	2.8
200.54654	8.1
201.00777	11.2
207.01773	10.9
209.05070	5.5
219.01779	25.2
231.01776	3.7
237.02866	6.1
239.04353	3.3
249.02788	10.1
261.02786	5.7
279.01086	3.2
279.03879	16.3
280.99588	3.2
291.03882	3.9
297.05096	3.4
299.06290	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	281.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.3
53.41901	3.4
55.01880	7.4
55.05510	25.0
56.96571	7.8
57.03432	18.5
57.38161	2.7
59.05017	3.4
60.46209	2.6
61.02930	9.6
69.03432	31.7
69.28584	3.0
69.85618	12.7
71.05006	4.4
72.67661	2.8
73.02909	23.5
73.06541	6.0
80.04022	2.7
81.03428	12.0
83.04983	30.4
84.08167	3.5
85.02910	100.0
85.06550	6.4
87.04498	6.9
91.03955	5.1
97.02883	35.3
98.97579	63.4
98.98180	4.1
99.04469	6.9
101.05987	3.8
104.01321	6.0
109.02892	8.4
110.01269	7.4
110.97585	13.2
116.98635	19.3
118.80940	2.8
119.01819	16.7
125.01805	3.8
127.03923	22.2
128.02365	7.4
128.98601	13.6
131.01802	4.4
134.99664	8.1
136.06165	3.7
137.01801	3.7
140.02335	4.2
143.00153	3.2
145.04962	14.5
146.02347	9.4
146.99637	8.8
152.02332	6.0
155.02892	8.2
158.99667	23.5
161.02866	10.4
163.05952	3.3
170.03409	8.4
170.99690	11.2
177.00717	23.2
182.03360	19.0
189.00714	21.3
191.03899	51.9
191.54070	6.0
200.04396	40.8
200.54565	6.6
201.00690	6.4
207.01839	5.3
209.05058	3.0
211.55231	4.2
219.01756	19.6
231.01784	2.9
237.02832	5.4
249.02896	6.3
261.02682	3.6
266.99811	4.1
279.03854	7.5
283.03305	3.3
299.06244	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	281.1383
Annotation	Phaseolinone
Peak:m/z	Relative Intensity
51.86467	4.6
53.03952	5.3
55.01872	8.2
55.05507	18.9
57.03431	8.3
57.07065	14.5
59.04993	4.9
62.71016	3.5
65.03938	6.8
67.05499	25.7
68.99792	21.1
69.02708	18.4
69.03119	14.8
69.03443	19.3
69.07071	10.1
71.04977	6.8
71.88757	3.8
75.11632	3.5
79.05499	26.1
80.05014	9.0
81.03424	29.0
81.07047	21.1
83.04980	30.6
85.02924	13.8
89.03918	4.8
90.41842	3.7
91.05474	49.5
93.07045	20.8
94.06569	8.6
95.04971	23.0
95.08618	12.4
97.02907	17.3
97.06544	4.7
98.23372	7.9
99.04498	5.2
103.05481	11.7
105.07030	100.0
107.04987	11.9
107.08590	35.3
109.02854	19.2
109.06508	26.1
109.10148	8.7
111.04448	11.5
111.08091	9.0
115.05422	7.3
117.07012	6.6
119.04925	27.8
119.08578	21.7
120.04471	33.4
120.08123	15.4
121.02868	13.4
121.06514	21.3
121.10158	6.2
123.04444	8.5
123.08077	18.2
123.11719	5.0
124.07604	4.9
125.02328	25.4
125.09632	4.8
127.03934	8.9
129.07014	12.7
131.04956	6.4
131.08563	12.9
133.06487	48.1
133.10141	73.1
135.04402	14.5
135.08055	26.1
135.11670	7.5
137.02333	9.0
137.05983	19.9
139.07555	4.1
142.07817	5.7
143.08583	5.9
145.04985	5.6
145.06551	5.2
145.10179	7.3
147.04387	8.8
147.08098	9.0
147.11722	7.5
149.05960	5.8
149.09663	6.9
151.03847	5.0
151.07520	22.3
151.11166	9.3
153.09152	15.4
155.10768	4.8
156.09343	7.9
157.10162	15.3
159.08058	8.4
161.06010	43.4
161.09676	23.5
163.03915	40.4
163.07550	7.3
165.05490	9.9
171.11711	17.0
174.12810	33.4
175.07535	5.3
175.11194	18.2
177.09154	5.8
179.07051	73.6
179.10645	33.0
189.05371	5.9
189.12776	9.6
199.11195	21.5
203.10634	6.5
207.06525	22.7
207.08192	7.0
217.12225	19.2
219.13692	4.7
220.13322	41.4
221.11667	4.1
225.07579	30.9
227.10689	6.8
235.07347	8.1
245.11768	16.6
251.13943	6.2
263.06998	13.3
263.12769	88.6
281.07889	19.7
281.14127	44.1
281.18207	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	281.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.7
55.01876	9.6
55.05242	1.8
55.05512	29.9
57.03437	23.4
57.07067	2.0
60.11100	1.1
65.03934	5.7
67.05504	47.9
69.03427	2.6
69.07067	9.2
71.04993	11.7
71.08653	1.5
71.29508	1.8
73.06533	1.2
75.61454	1.1
77.03922	2.1
79.05492	43.9
80.05860	1.2
81.03404	7.8
81.06591	1.5
81.07054	24.1
83.04980	14.6
83.08621	10.5
85.02898	3.1
85.06532	3.8
91.05478	73.8
92.05812	2.1
93.03391	2.3
93.07050	21.4
95.04968	23.5
95.08611	16.4
97.02869	1.9
97.06516	6.8
97.10172	3.4
98.09687	1.8
99.04446	2.5
99.08099	1.5
100.07605	3.1
100.11256	49.0
103.05456	2.5
105.02708	2.1
105.03398	33.9
105.04501	2.7
105.07028	48.1
107.04955	100.0
107.08568	9.2
109.02869	2.8
109.06506	4.3
109.10118	5.8
111.04424	3.2
111.08124	2.3
112.07607	2.6
113.06009	3.4
115.05462	6.4
117.07008	32.3
117.13911	6.1
119.04906	1.9
119.08581	46.5
120.08900	1.9
121.02914	5.8
121.06487	1.6
121.10142	3.4
123.04418	2.4
123.08036	2.3
123.11703	3.2
125.05899	1.5
126.09106	2.0
127.07544	1.7
128.06218	16.0
129.05505	2.9
129.07002	9.5
131.04924	2.2
131.08559	6.1
133.06485	7.8
133.10120	28.1
135.08084	3.4
135.11667	2.2
141.06992	2.2
143.08565	24.1
143.11780	1.4
145.06480	18.0
145.10114	4.8
147.08041	15.8
147.11670	9.7
149.09642	2.2
149.13332	1.4
151.11157	3.0
153.06992	1.4
155.06071	2.0
159.08098	3.0
161.09622	51.7
161.13284	4.7
162.09976	1.6
163.11160	2.0
165.09203	2.2
169.10025	1.6
171.08031	17.3
171.11642	7.1
179.10703	3.3
182.15421	14.7
189.09096	24.1
189.12741	3.0
192.08144	1.7
199.18040	28.7
206.08359	3.7
207.09172	5.6
207.13867	1.7
219.09167	2.9
225.09097	1.7
225.11089	2.3
235.08699	25.2
235.11064	2.6
236.09105	1.3
245.15334	1.6
253.12067	1.7
263.08118	2.9
263.10507	2.1
263.12909	3.1
263.16364	2.5
263.23682	1.6
281.09250	18.1
281.13837	38.7
281.17557	5.3
281.22171	29.9
281.24863	1.5
281.28439	1.3
282.22366	1.4
299.06152	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	281.1383
Annotation	Phaseolinone
Peak:m/z	Relative Intensity
50.01669	1.7
53.03946	5.9
55.01868	4.1
55.05507	11.8
56.05050	2.9
56.41617	1.7
57.03439	6.1
57.07067	2.8
59.05005	2.4
65.03962	1.9
67.05505	10.3
68.99780	1.8
69.03429	7.5
69.07070	5.9
69.28175	12.3
70.06590	1.6
71.04993	11.2
73.39117	2.1
78.59871	1.6
79.05493	13.1
80.05037	9.6
81.03417	13.3
81.07063	14.2
83.04977	24.3
83.08614	3.1
85.02914	7.5
85.06565	2.1
91.05475	18.5
93.07049	11.4
93.07548	1.9
95.04960	12.5
95.08602	10.3
97.02898	3.5
97.06483	2.3
98.23367	3.3
101.06017	2.5
103.05464	1.6
105.03401	2.1
105.07034	40.5
107.04967	6.9
107.08586	10.0
109.02880	14.5
109.06519	12.3
109.10136	4.1
110.03538	3.6
111.04474	4.2
111.08102	4.7
113.09655	5.1
117.07029	4.5
118.43381	1.7
119.04934	9.5
119.08569	10.5
120.04470	4.4
120.08121	8.0
121.02898	2.4
121.06474	11.6
121.10130	5.8
123.04481	2.1
123.08092	5.2
123.11678	2.7
125.02356	2.2
125.05988	4.0
126.71592	1.7
127.03918	7.1
127.07554	6.2
128.06274	2.6
129.07010	6.7
131.08549	10.7
133.06479	17.2
133.10130	21.4
135.02979	3.4
135.04440	3.5
135.08032	9.9
135.11726	4.6
137.02336	1.7
137.05969	7.2
137.09663	3.5
139.05391	1.5
141.06960	3.7
142.07791	5.5
143.08591	8.9
145.06540	3.7
145.10132	5.4
147.04456	4.4
147.08044	6.7
147.11667	2.7
149.05962	4.5
149.09644	4.1
151.07576	10.6
152.05676	100.0
153.04094	7.1
153.05484	8.9
153.06960	2.8
153.09085	4.3
155.08725	2.0
156.09346	12.5
157.10138	14.5
159.08070	6.3
161.05957	18.0
161.09604	14.5
161.13301	2.3
163.03867	2.5
163.07605	3.1
163.11230	4.7
169.10037	2.0
171.08067	2.0
171.11702	15.6
172.76671	1.7
173.09578	3.3
173.13289	1.9
175.07533	3.5
175.11197	5.7
177.09090	4.5
179.07039	30.0
179.08539	3.4
179.10573	4.3
181.08496	2.2
184.08823	7.0
185.09608	6.3
187.07465	1.8
189.09103	2.7
189.12772	6.8
193.04953	5.8
199.11169	23.3
203.10698	6.4
207.06583	7.4
212.24265	1.9
217.12228	11.6
221.11682	2.7
222.04245	1.7
225.07458	3.0
227.10664	9.5
230.09282	2.0
235.07581	5.1
235.11034	1.8
235.13309	5.7
245.11682	21.3
253.05042	2.2
263.07037	3.2
263.12744	21.5
263.15775	2.6
281.04419	2.9
281.07520	2.6
281.10327	2.7
281.14493	16.4
281.17676	4.8
282.15558	7.0
299.06229	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1384
Annotation	(+)-Almuheptolide B
Peak:m/z	Relative Intensity
53.03952	6.7
55.01876	9.6
55.05242	1.8
55.05512	29.9
57.03437	23.4
57.07067	2.0
60.11100	1.1
65.03934	5.7
67.05504	47.9
69.03427	2.6
69.07067	9.2
71.04993	11.7
71.08653	1.5
71.29508	1.8
73.06533	1.2
75.61454	1.1
77.03922	2.1
79.05492	43.9
80.05860	1.2
81.03404	7.8
81.06591	1.5
81.07054	24.1
83.04980	14.6
83.08621	10.5
85.02898	3.1
85.06532	3.8
91.05478	73.8
92.05812	2.1
93.03391	2.3
93.07050	21.4
95.04968	23.5
95.08611	16.4
97.02869	1.9
97.06516	6.8
97.10172	3.4
98.09687	1.8
99.04446	2.5
99.08099	1.5
100.07605	3.1
100.11256	49.0
103.05456	2.5
105.02708	2.1
105.03398	33.9
105.04501	2.7
105.07028	48.1
107.04955	100.0
107.08568	9.2
109.02869	2.8
109.06506	4.3
109.10118	5.8
111.04424	3.2
111.08124	2.3
112.07607	2.6
113.06009	3.4
115.05462	6.4
117.07008	32.3
117.13911	6.1
119.04906	1.9
119.08581	46.5
120.08900	1.9
121.02914	5.8
121.06487	1.6
121.10142	3.4
123.04418	2.4
123.08036	2.3
123.11703	3.2
125.05899	1.5
126.09106	2.0
127.07544	1.7
128.06218	16.0
129.05505	2.9
129.07002	9.5
131.04924	2.2
131.08559	6.1
133.06485	7.8
133.10120	28.1
135.08084	3.4
135.11667	2.2
141.06992	2.2
143.08565	24.1
143.11780	1.4
145.06480	18.0
145.10114	4.8
147.08041	15.8
147.11670	9.7
149.09642	2.2
149.13332	1.4
151.11157	3.0
153.06992	1.4
155.06071	2.0
159.08098	3.0
161.09622	51.7
161.13284	4.7
162.09976	1.6
163.11160	2.0
165.09203	2.2
169.10025	1.6
171.08031	17.3
171.11642	7.1
179.10703	3.3
182.15421	14.7
189.09096	24.1
189.12741	3.0
192.08144	1.7
199.18040	28.7
206.08359	3.7
207.09172	5.6
207.13867	1.7
219.09167	2.9
225.09097	1.7
225.11089	2.3
235.08699	25.2
235.11064	2.6
236.09105	1.3
245.15334	1.6
253.12067	1.7
263.08118	2.9
263.10507	2.1
263.12909	3.1
263.16364	2.5
263.23682	1.6
281.09250	18.1
281.13837	38.7
281.17557	5.3
281.22171	29.9
281.24863	1.5
281.28439	1.3
282.22366	1.4
299.06152	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	281.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.2
53.03945	8.4
55.01867	5.1
55.05511	35.0
55.92126	1.0
57.03436	27.1
57.07063	1.8
65.03945	3.7
67.05503	84.0
69.03424	5.6
69.07067	14.5
71.04990	4.6
73.06549	3.0
79.05492	100.0
80.05811	1.4
81.03416	15.0
81.07055	60.5
82.07378	1.0
83.04977	33.9
83.05463	1.9
83.08624	8.0
85.06528	2.8
91.05477	72.6
91.57005	1.0
92.05814	1.7
93.07041	66.6
94.07370	1.5
95.04963	25.2
95.08605	35.8
96.08954	1.2
97.02885	2.0
97.06508	5.3
97.10167	4.0
103.05435	1.4
105.04528	3.0
105.07025	48.1
107.04955	8.2
107.08586	25.3
107.09282	1.5
109.06523	8.3
109.10136	7.6
111.08076	2.0
115.05502	2.9
117.07014	9.9
119.08575	27.4
120.09016	1.3
121.06494	3.2
121.10134	6.3
123.08032	9.0
127.07598	1.7
128.06223	3.3
129.07007	17.9
131.08568	3.1
133.06461	2.0
133.10124	11.7
133.21329	1.1
135.08064	1.5
135.11662	2.6
141.09145	1.2
143.08582	9.2
145.10135	8.9
147.08040	2.9
147.11679	35.8
151.07533	1.6
161.09613	4.7
161.13266	12.1
169.10149	1.3
171.11690	26.5
183.76086	1.0
189.12729	8.4
207.13823	12.0
262.25113	1.0
263.12701	2.2
281.09067	2.1
281.13757	4.3
281.17426	31.8
282.17838	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29435	1.1
53.03947	10.3
55.01868	6.3
55.05512	34.0
57.03441	27.8
57.07093	1.7
64.60507	1.5
65.03935	5.5
67.05506	85.1
67.08345	1.4
68.05843	1.7
69.03433	3.0
69.07076	14.9
70.41465	3.1
71.04995	2.6
71.93608	1.3
77.03926	2.4
79.05495	100.0
80.05828	1.6
81.03418	12.9
81.07058	66.1
83.04984	37.2
83.08621	10.6
85.02908	1.7
85.06552	3.9
91.05486	72.2
92.05817	1.4
93.07045	66.2
94.07363	1.8
95.04974	25.9
95.08608	42.0
97.02914	1.5
97.06545	7.2
97.10182	5.8
105.04533	3.5
105.07030	46.8
106.54535	1.3
107.04958	9.7
107.08593	24.7
109.06551	6.6
109.10157	7.8
111.08076	3.0
113.05938	1.6
115.05430	1.9
117.07006	9.6
119.08582	29.0
121.06516	5.3
121.10154	5.3
121.95117	1.5
123.08080	8.5
123.11719	1.5
125.09637	1.8
127.07539	1.9
128.06218	3.4
129.06998	17.4
131.08545	4.0
133.10126	14.7
135.11713	2.7
141.06924	1.6
142.07848	1.9
143.08562	10.2
145.10136	7.7
147.08086	4.0
147.11685	33.0
148.12059	1.8
151.07619	1.4
155.67976	1.4
159.11769	1.6
161.09599	4.4
161.13242	15.6
164.35942	1.3
169.10077	1.6
171.11691	27.3
189.12766	10.2
204.08907	1.6
207.13835	13.1
219.09193	10.4
225.09117	2.1
235.08640	2.0
250.40141	1.5
263.08130	3.8
281.08875	3.1
281.13696	6.9
281.17538	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	281.1747
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.02374	1.9
53.03944	8.4
55.01876	5.0
55.05513	28.1
57.03437	25.0
57.07071	3.1
65.03937	4.6
67.05504	77.6
69.03428	2.9
69.06714	0.8
69.07066	16.7
70.23726	3.0
71.04977	3.6
71.08631	1.1
73.06552	1.6
77.03926	1.9
79.05492	100.0
80.05791	1.1
81.03422	16.7
81.03873	1.8
81.07055	65.5
82.07406	1.6
83.04485	1.8
83.04979	34.4
83.08611	10.0
85.02895	1.3
85.06542	4.4
88.01647	1.0
91.05479	74.4
92.05811	2.2
93.07043	69.5
94.07371	1.1
95.04967	29.1
95.08605	39.9
95.38860	1.0
97.02896	2.3
97.06508	6.9
97.10170	4.9
98.22688	1.1
99.08089	2.0
101.05999	1.2
105.04537	2.3
105.07028	44.3
107.04965	11.7
107.08595	22.0
109.02889	2.2
109.06506	9.5
109.10142	7.7
111.08090	3.0
115.05434	2.4
117.07015	9.1
119.04941	1.4
119.08582	27.9
121.06525	2.9
121.10130	6.7
123.08054	7.9
125.70125	1.0
127.07571	1.7
128.06233	4.1
129.07004	17.1
131.08580	3.9
133.06482	2.9
133.10121	15.8
135.08098	1.1
135.11703	3.5
137.09583	1.5
137.13277	1.1
143.08524	8.9
145.06538	1.0
145.10114	11.0
146.10399	1.2
147.08055	3.8
147.11687	39.1
149.13197	1.0
151.11139	0.9
158.64374	1.0
159.11649	1.9
161.09624	6.2
161.13252	14.6
163.11223	1.4
171.11687	27.2
179.14305	1.5
189.09114	1.2
189.12704	10.4
207.13824	11.2
225.11060	1.1
235.08614	3.0
281.08966	2.2
281.11569	2.3
281.14377	1.4
281.17447	31.3
282.17706	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61313	1.5
53.03948	11.3
55.01873	5.4
55.05511	39.9
57.03436	32.0
57.07077	6.2
65.03943	4.5
65.18546	1.5
67.05505	91.6
69.03432	4.4
69.07066	23.8
69.07422	2.2
71.04991	5.8
73.06562	4.2
77.03946	1.9
79.05492	100.0
80.05820	2.7
81.03410	16.5
81.03787	1.5
81.07055	81.5
83.04979	41.1
83.08614	13.0
85.02901	4.3
85.06544	8.1
91.05479	71.4
93.07043	77.9
94.07388	2.0
95.04975	27.6
95.08601	54.5
96.08943	2.2
97.02912	2.9
97.06524	8.3
97.10138	6.9
98.22633	3.2
98.97575	1.7
99.08095	2.2
103.05512	2.1
105.03382	1.5
105.04542	1.6
105.07028	54.5
107.04966	14.0
107.08593	27.7
109.06497	8.9
109.10152	15.1
111.08100	2.7
115.05442	2.7
117.07015	12.0
119.08575	33.0
121.06530	4.6
121.10137	11.2
123.08049	10.4
123.11734	6.8
127.07558	2.7
128.06267	4.7
129.07005	17.5
130.07832	1.7
131.08571	3.8
133.06528	2.2
133.10115	19.1
135.08070	3.2
135.11714	6.0
137.09634	3.0
137.13193	1.8
141.07018	2.4
142.07735	1.9
143.08559	9.5
145.10147	12.5
147.08096	4.9
147.11691	34.6
149.13257	3.2
151.07568	1.7
159.11650	2.4
161.09679	6.6
161.13248	20.3
163.11189	2.0
169.10138	1.7
171.08098	1.5
171.11691	30.2
179.14403	1.4
185.13240	1.6
189.12759	11.3
189.16455	3.1
197.06006	2.3
207.13776	9.3
211.07460	1.7
217.15466	1.4
225.09091	2.3
227.69057	1.7
232.58070	1.5
235.08665	3.1
239.07060	3.3
245.22717	2.0
263.16568	3.1
263.23560	1.7
281.08560	4.3
281.11722	18.7
281.14795	2.2
281.17468	30.9
281.22052	1.9
281.24902	2.1
282.18060	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1747
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.41697	1.6
53.03949	10.3
55.01871	5.7
55.05513	37.0
57.03440	29.4
57.07087	2.1
59.28738	1.4
65.03934	4.1
67.05504	88.2
69.03432	3.1
69.07063	16.1
70.55588	4.0
71.04982	3.6
73.06544	3.1
79.05492	100.0
80.35606	1.3
81.03416	17.8
81.07055	68.6
83.04988	37.9
83.08611	11.2
85.02904	2.1
85.06540	4.0
91.05480	75.8
92.05779	2.5
93.07043	67.5
93.69883	1.5
95.04964	27.1
95.08607	45.3
97.02834	1.9
97.06512	7.1
97.10143	7.5
103.70658	1.4
105.04551	4.0
105.07029	55.6
107.04948	11.3
107.08582	26.3
109.06510	9.1
109.10163	6.8
117.07000	9.9
119.08580	38.8
119.09433	1.6
121.06527	5.0
121.10145	5.1
123.08021	7.8
128.06197	3.6
129.07013	19.7
131.08559	4.3
133.10121	15.2
135.11699	2.9
143.08574	11.0
145.10104	10.3
147.10504	1.9
147.11678	38.1
148.12056	1.7
161.09663	5.9
161.13245	13.5
167.10847	1.6
171.11684	29.0
189.12776	10.8
207.13820	11.9
208.14128	1.5
263.12527	3.5
281.14053	3.5
281.17435	32.6
282.17780	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	281.1748
Annotation	3,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-methylcyclo-hexanecarboxylate
Peak:m/z	Relative Intensity
50.08861	1.7
53.03933	5.6
53.35155	1.9
55.01880	11.2
55.05511	21.9
57.03426	5.4
57.07066	5.6
59.00969	2.0
65.03944	2.3
67.05506	37.3
69.03449	3.0
69.07074	16.7
70.37370	1.9
71.04991	3.8
79.05068	3.2
79.05493	41.8
81.03407	5.2
81.07057	100.0
82.07417	2.5
83.01336	3.5
83.04986	5.3
83.08620	7.5
85.02898	4.0
86.76826	2.3
88.48020	2.2
91.05475	23.5
93.07051	34.7
94.07417	2.0
95.04957	9.9
95.08608	56.8
95.09170	4.3
97.02895	2.3
97.06540	5.5
97.10182	3.6
98.22552	4.0
98.97602	4.1
99.08095	4.7
101.93290	1.9
103.03038	2.2
103.05473	2.2
105.07020	24.0
107.04957	9.6
107.08585	10.1
109.02892	2.7
109.06503	9.2
109.10143	3.6
111.04436	3.2
111.08095	13.1
115.05440	3.0
116.98663	2.3
117.07023	7.8
119.08569	14.7
121.06507	9.6
121.10139	8.3
123.04433	4.5
123.08068	45.9
123.11689	3.1
125.09633	4.2
129.07004	7.0
131.08559	9.0
133.06485	6.5
133.10156	12.1
135.08025	7.3
135.11633	2.3
137.05945	2.5
137.09625	6.0
139.07559	12.1
141.06978	3.1
141.09126	5.9
143.08569	6.9
145.06523	2.7
145.10121	6.2
147.08035	7.0
147.11700	4.7
149.05956	2.6
149.09573	5.0
151.07538	35.8
153.09178	3.3
155.08554	4.4
157.10156	4.0
159.08029	4.0
161.09589	13.1
161.13316	2.6
163.07503	2.8
163.11121	2.4
165.09134	19.9
167.08478	4.1
169.10117	2.8
171.11673	4.3
179.10669	6.9
181.08653	3.1
189.09103	6.2
189.12834	2.9
193.10168	3.3
195.10173	5.8
199.14795	9.3
202.84821	2.1
207.10088	2.6
209.13106	3.1
217.15964	12.3
235.16937	16.1
245.15408	11.6
263.16321	20.3
277.00735	4.6
281.17059	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	282.0136
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	8.9
58.37949	0.7
66.18749	0.7
69.85424	2.4
71.95265	1.8
82.28448	0.8
98.22577	0.8
98.97585	100.0
104.25974	0.6
114.23965	0.8
116.98622	44.5
117.98981	0.7
134.99661	11.1
140.00140	0.8
198.97899	0.8
219.01942	1.5
234.99931	1.7
240.98788	3.6
258.99777	38.7
259.99860	1.9
277.00833	58.6
278.00919	3.4
282.99988	10.8
285.04044	0.7
301.01047	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	282.156
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18278	0.1
55.05513	0.3
57.03440	0.2
57.24578	0.1
59.05000	0.7
61.02929	0.4
63.52522	0.1
67.05505	0.2
67.81258	0.1
69.03426	0.2
69.07024	0.1
70.33035	0.4
70.33393	0.1
71.03333	0.1
71.04992	8.5
79.05483	0.7
81.07057	2.6
82.04063	0.2
85.02920	0.6
97.02889	0.2
98.23354	0.2
98.97563	0.2
105.38397	0.2
109.02844	0.2
109.05131	0.8
110.03520	4.1
110.04250	0.3
113.09646	3.6
120.08101	1.3
124.04963	0.2
128.04573	1.6
134.04645	0.4
135.03004	4.6
145.05014	0.3
152.05672	100.0
153.04088	7.4
153.06061	1.0
166.07254	0.5
209.11742	0.5
213.00092	0.2
232.11952	0.5
234.77768	0.2
250.13039	0.5
264.14581	0.2
278.40933	0.1
282.15570	8.0
283.15958	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.2
55.05501	1.1
56.27008	0.2
57.03439	0.5
57.07074	0.2
59.04995	1.4
61.02925	1.6
67.05499	0.2
69.57702	0.9
71.04993	3.0
78.29880	0.2
79.05495	1.2
81.07059	6.1
85.02924	0.2
87.08109	0.6
91.05486	0.7
99.08071	0.5
103.05434	0.2
105.07033	0.8
109.05127	0.8
110.03529	3.9
113.09636	0.9
115.05473	0.2
119.04905	0.3
120.08089	2.0
123.17870	0.2
127.03902	0.2
128.04544	1.6
132.08087	0.6
134.04620	0.4
135.03014	8.6
136.01466	0.2
144.40913	0.2
145.04968	0.3
145.10133	0.2
145.87369	0.2
152.05672	100.0
153.04083	9.3
153.06046	1.2
166.07233	0.7
173.05920	0.3
174.12793	3.4
199.11452	0.2
201.05414	0.6
219.06573	0.3
220.13327	5.1
221.13593	0.3
232.11896	0.6
250.12993	2.1
264.12106	0.2
264.14542	0.3
267.13904	0.2
282.15588	19.5
283.15826	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96978	2.6
57.03439	5.7
61.02919	10.2
62.30187	2.3
63.81425	2.2
69.03441	17.2
70.69595	4.7
73.02922	4.5
76.25253	2.4
81.03407	6.7
83.01324	2.4
85.02906	100.0
85.06547	18.0
87.04465	6.6
91.03937	6.8
97.02886	21.0
99.04424	4.1
102.09132	2.5
109.02877	9.6
109.06531	3.2
110.72475	2.5
113.33186	2.1
115.49503	2.7
118.57425	2.5
127.03925	25.5
145.04968	53.3
152.92751	2.3
161.39876	2.4
163.06033	14.6
229.10683	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	282.156
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18278	0.1
55.05513	0.3
57.03440	0.2
57.24578	0.1
59.05000	0.7
61.02929	0.4
63.52522	0.1
67.05505	0.2
67.81258	0.1
69.03426	0.2
69.07024	0.1
70.33035	0.4
70.33393	0.1
71.03333	0.1
71.04992	8.5
79.05483	0.7
81.07057	2.6
82.04063	0.2
85.02920	0.6
97.02889	0.2
98.23354	0.2
98.97563	0.2
105.38397	0.2
109.02844	0.2
109.05131	0.8
110.03520	4.1
110.04250	0.3
113.09646	3.6
120.08101	1.3
124.04963	0.2
128.04573	1.6
134.04645	0.4
135.03004	4.6
145.05014	0.3
152.05672	100.0
153.04088	7.4
153.06061	1.0
166.07254	0.5
209.11742	0.5
213.00092	0.2
232.11952	0.5
234.77768	0.2
250.13039	0.5
264.14581	0.2
278.40933	0.1
282.15570	8.0
283.15958	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.2
55.05501	1.1
56.27008	0.2
57.03439	0.5
57.07074	0.2
59.04995	1.4
61.02925	1.6
67.05499	0.2
69.57702	0.9
71.04993	3.0
78.29880	0.2
79.05495	1.2
81.07059	6.1
85.02924	0.2
87.08109	0.6
91.05486	0.7
99.08071	0.5
103.05434	0.2
105.07033	0.8
109.05127	0.8
110.03529	3.9
113.09636	0.9
115.05473	0.2
119.04905	0.3
120.08089	2.0
123.17870	0.2
127.03902	0.2
128.04544	1.6
132.08087	0.6
134.04620	0.4
135.03014	8.6
136.01466	0.2
144.40913	0.2
145.04968	0.3
145.10133	0.2
145.87369	0.2
152.05672	100.0
153.04083	9.3
153.06046	1.2
166.07233	0.7
173.05920	0.3
174.12793	3.4
199.11452	0.2
201.05414	0.6
219.06573	0.3
220.13327	5.1
221.13593	0.3
232.11896	0.6
250.12993	2.1
264.12106	0.2
264.14542	0.3
267.13904	0.2
282.15588	19.5
283.15826	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71570	11.4
56.22955	14.9
56.96566	15.3
57.03424	17.2
65.31200	11.0
66.04241	13.3
67.05511	17.2
69.03415	19.7
69.25202	100.0
73.02921	17.0
81.03434	25.9
81.47429	15.0
85.02908	64.7
92.57531	14.2
97.02885	24.2
98.03269	13.5
99.04457	14.4
102.96906	22.1
106.98811	12.1
110.97599	15.2
119.02007	13.1
127.03909	19.8
130.91412	13.7
136.06161	64.5
143.01952	15.1
153.05849	20.7
157.03470	12.9
161.02951	14.4
162.99030	15.0
167.39011	13.8
179.33620	12.6
184.04970	18.3
274.77170	15.3
296.58911	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	283.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03434	1.2
69.53837	6.0
70.06619	1.4
72.65783	0.9
81.03421	2.3
85.02873	1.0
97.02866	1.4
98.23286	2.1
98.97578	1.1
107.32907	1.1
121.02872	15.6
136.06105	1.0
221.73524	0.9
247.07539	1.0
267.53644	1.0
283.07886	100.0
284.08221	3.9
296.87057	1.1
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	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03938	6.8
53.86727	2.3
55.01638	3.5
55.01878	44.4
55.05515	59.5
55.84549	1.9
57.03164	2.7
57.03442	52.7
57.07070	4.1
59.05003	4.6
59.24442	2.5
67.05511	59.5
68.44485	2.2
69.03421	3.8
69.07072	21.7
70.32063	4.4
71.01366	2.9
71.04992	10.0
79.05498	72.3
80.63416	2.2
81.03068	2.2
81.03434	29.8
81.07059	67.4
83.01356	22.7
83.04989	61.5
83.08623	30.2
85.02902	16.2
85.06564	2.9
91.05495	41.8
93.07048	78.0
95.04974	20.9
95.08608	28.5
97.02905	18.4
97.06527	20.8
97.10168	8.8
99.04461	6.1
99.08094	3.7
102.92155	2.1
105.07037	23.5
107.04967	25.2
107.08604	40.5
109.06535	19.3
109.10163	14.7
111.04447	36.4
111.08086	7.8
115.05464	4.1
117.07027	20.6
119.08582	25.8
121.06493	8.6
121.10159	25.8
123.08077	18.6
125.05991	6.1
125.09630	4.1
129.05508	2.5
130.07841	2.9
131.08589	11.2
133.10156	6.7
135.08083	4.7
135.11705	53.5
137.09706	4.2
143.08617	2.3
145.06528	2.5
145.10114	42.7
147.08052	5.4
149.09605	3.0
153.12756	43.6
155.08553	5.4
163.09807	4.0
163.11188	83.0
164.11534	3.0
173.09636	13.2
181.12228	31.3
190.07823	2.4
191.10667	21.1
209.11736	72.9
210.12126	3.7
227.12796	40.1
237.08965	2.4
248.23822	3.7
266.24792	11.9
283.15421	100.0
284.15872	2.5
284.25919	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	283.1538
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
52.20391	1.8
53.03939	9.0
55.01875	51.3
55.05514	83.3
57.03162	3.8
57.03440	72.9
57.07068	3.9
57.46187	1.8
59.04999	11.2
67.05508	39.9
69.03421	4.5
69.07069	15.8
71.01355	5.1
71.04994	15.0
79.05495	75.1
81.03419	42.0
81.07058	63.8
83.01342	42.8
83.04985	53.3
83.08620	49.7
85.02908	13.0
85.06543	3.5
91.05482	47.9
93.07043	87.8
94.07324	2.3
95.04973	22.5
95.08618	23.1
97.02892	3.4
97.06526	17.1
97.10162	3.2
99.04444	8.5
105.07037	35.1
107.04960	27.2
107.08597	45.0
109.06521	24.0
109.10151	5.9
111.04444	10.6
111.08084	5.1
111.11691	2.3
115.05492	2.5
117.07039	24.1
119.08584	30.2
121.06508	12.0
121.10161	27.5
123.08078	34.3
125.06000	6.1
125.09623	5.2
129.07018	3.9
130.07787	3.1
131.08600	11.0
133.10127	7.5
135.08069	6.6
135.11697	44.6
137.09622	4.8
139.11211	2.3
143.08557	2.5
145.06470	3.1
145.10130	53.7
147.08102	3.8
147.11609	2.1
153.12708	10.4
155.08604	5.5
163.11186	95.0
164.11552	2.3
173.09615	12.8
181.12245	15.4
191.10678	12.8
209.11716	25.8
227.12848	11.1
247.93613	1.9
283.15402	100.0
284.15622	3.1
284.74899	2.0
304.58951	2.1
304.62286	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1538
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03938	9.9
55.01872	47.6
55.05511	81.3
57.03439	60.6
57.07064	6.1
59.05001	10.3
67.05505	41.2
69.03387	2.6
69.07065	11.6
69.98317	7.4
71.01341	4.9
71.05001	13.1
79.05495	72.6
81.03426	36.0
81.07059	56.9
83.01342	41.4
83.04983	50.4
83.08141	3.5
83.08620	44.3
85.02912	12.2
85.06528	2.9
91.05482	42.4
93.07047	78.2
95.04967	23.2
95.08611	27.4
97.02888	6.6
97.06549	12.4
97.10179	5.2
99.04447	9.5
103.05494	2.9
105.07028	29.9
107.04952	20.1
107.08593	32.5
109.06520	25.2
109.10151	5.7
111.04436	9.1
111.08091	7.2
111.11754	2.5
115.05511	2.7
117.07020	23.4
119.08580	28.6
121.06489	10.2
121.10157	21.5
121.18404	2.1
123.08080	31.3
125.05978	5.7
125.09623	7.4
129.06961	4.9
130.07793	3.1
131.08583	10.7
133.10178	4.2
135.08057	6.8
135.11688	45.4
137.09613	5.7
139.07535	3.9
143.08569	3.6
145.06552	3.8
145.10132	57.1
147.08031	6.0
149.09604	3.2
151.11159	2.2
153.12743	7.6
155.08546	6.9
163.11186	91.8
164.03342	2.2
164.11571	2.1
173.09639	13.8
181.12230	16.6
191.10654	11.8
199.12886	1.9
209.11739	23.6
227.12807	11.7
249.28931	2.3
283.15396	100.0
283.20099	4.0
284.15659	2.6
284.29364	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	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.7
55.01872	42.4
55.05513	88.5
57.03440	75.2
57.07072	6.2
57.19444	2.1
59.04992	12.2
62.10428	2.4
65.03931	3.7
67.05507	52.6
69.03415	7.3
69.07070	20.0
69.10964	13.2
69.11385	8.4
69.57523	2.6
71.01366	5.4
71.05000	15.9
73.69048	2.4
79.05494	84.6
80.05852	2.7
81.03414	37.1
81.07059	81.2
83.01348	51.9
83.04493	3.6
83.04978	57.7
83.08620	52.2
85.02897	10.7
85.06548	3.3
89.39598	2.4
91.05484	54.6
93.07046	100.0
95.04967	27.2
95.08604	24.6
97.02887	8.5
97.06523	23.2
97.10165	3.5
99.04449	11.0
103.05517	3.4
105.07034	46.9
107.04963	32.3
107.08599	53.8
109.02914	3.5
109.06521	29.3
109.10164	10.9
111.04439	12.1
111.08072	6.7
111.11694	2.8
115.05479	3.3
117.07018	26.7
119.08578	38.2
121.06498	14.3
121.10149	34.2
123.04457	2.7
123.08061	32.8
125.05991	8.1
125.09645	5.8
129.06992	7.8
130.07764	9.2
131.08589	13.2
133.10162	9.9
135.08025	7.4
135.11694	49.1
137.09663	8.9
143.08585	6.0
145.06445	3.6
145.10124	56.7
146.20790	2.6
147.08066	8.6
149.05917	2.6
149.09604	3.2
153.12685	13.5
155.08546	5.3
161.09608	3.6
163.11177	92.3
164.11549	2.5
173.09625	16.9
181.12251	15.2
186.07597	2.4
191.10687	12.1
209.11720	30.3
227.12782	10.4
283.15405	94.1
283.20596	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	283.1538
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03952	11.1
55.01875	51.5
55.05512	88.5
57.03440	74.9
57.07062	4.8
59.05007	16.7
63.72345	2.1
67.05507	53.0
69.03416	4.1
69.07059	10.4
69.13705	17.9
71.01353	5.7
71.04996	15.6
73.69991	2.3
74.89933	2.2
77.03905	2.9
79.05492	81.9
81.03419	37.7
81.07059	68.4
83.01341	50.1
83.04983	50.6
83.08616	53.9
85.02912	14.6
91.05478	49.1
91.79462	2.3
93.07043	96.5
95.04968	29.2
95.08598	29.4
96.19543	2.3
97.02890	9.4
97.06548	22.4
97.10161	7.4
99.04446	10.0
103.05461	4.3
105.04502	2.7
105.07025	35.3
107.04965	30.8
107.08601	44.1
109.06512	24.3
109.10127	6.7
111.04448	12.5
111.08081	5.4
115.05418	3.0
117.07025	26.0
119.08585	34.5
121.06527	14.0
121.10145	30.1
123.08074	31.2
125.05976	7.8
125.09624	5.4
129.07004	4.7
130.07773	4.1
131.08568	11.9
133.10080	5.7
135.08040	7.8
135.11691	51.0
137.09612	5.5
139.11115	2.4
143.08548	2.6
145.10124	68.3
147.08055	7.6
149.09656	2.8
153.12758	14.6
155.08551	8.0
163.11185	100.0
164.11426	2.9
173.09627	14.6
181.12239	16.1
191.10654	10.0
209.11723	26.8
227.12762	12.4
238.10435	2.9
255.83165	2.1
257.32663	2.5
272.09317	2.4
283.15387	97.4
284.15686	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	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69882	1.6
53.03944	9.8
55.01878	47.7
55.05509	57.1
57.03162	2.9
57.03438	57.3
57.07090	2.2
59.04995	7.5
65.03942	2.7
66.70013	1.9
67.05143	2.5
67.05503	48.7
69.03423	5.2
69.07072	15.6
71.01333	2.4
71.04995	13.0
73.76903	2.0
79.05490	69.1
81.03425	29.2
81.07061	54.3
83.01344	21.2
83.04983	57.8
83.08616	34.7
85.02888	10.5
85.06515	4.5
89.30470	1.7
91.05480	40.2
91.06017	3.4
93.07042	78.0
93.07635	3.7
94.07359	2.4
95.04974	19.9
95.08609	37.5
96.43465	1.6
97.02895	6.9
97.06525	20.0
97.10183	4.4
99.04464	8.4
103.05454	2.4
105.04519	1.9
105.07025	25.9
107.04959	27.1
107.08589	38.5
108.88125	2.1
109.06530	18.3
109.10144	6.9
111.04434	22.9
111.08062	10.7
113.50591	2.1
115.05463	2.0
117.07008	21.1
119.08578	24.2
119.09365	2.8
121.06497	12.3
121.10135	25.2
123.08056	20.5
125.05976	5.9
125.09620	4.3
129.07010	7.5
130.07782	4.1
131.08569	8.7
133.06458	2.2
133.10095	4.2
135.08040	5.4
135.11691	63.0
136.12090	2.5
137.09624	4.8
139.07503	2.5
143.08562	1.8
145.06529	4.1
145.10117	49.4
147.08034	4.8
147.11696	2.2
149.09596	2.5
153.09100	1.7
153.12746	41.7
153.78694	1.8
155.08543	3.8
163.11180	100.0
164.70337	1.9
173.09624	12.9
181.12212	33.8
191.10672	17.8
204.09418	1.9
209.09837	2.7
209.11710	20.8
227.12794	48.9
236.10527	1.9
237.09109	4.9
279.50183	1.7
283.10190	3.8
283.15408	87.0
283.24448	2.2
284.15866	3.5
284.25732	2.0
299.66779	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	283.1538
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03935	7.8
55.01873	50.5
55.05511	62.4
57.03167	4.0
57.03436	61.5
57.07084	3.2
58.24731	2.6
59.05001	12.4
65.03915	1.8
65.61531	1.9
67.05503	46.7
69.03417	2.6
69.07069	15.3
69.22733	3.7
69.23138	7.6
71.01365	3.6
71.05001	15.2
79.05489	64.4
79.72285	2.0
81.03415	33.6
81.07059	55.1
83.01342	32.1
83.04486	3.7
83.04980	67.8
83.08620	31.8
83.29373	2.0
85.02908	12.9
85.06541	3.5
91.05481	39.1
93.06474	4.1
93.07043	75.0
95.04969	18.8
95.08601	23.5
97.02887	6.4
97.06530	25.4
97.10165	2.4
99.04445	9.3
105.07027	25.6
107.04954	28.1
107.08583	38.4
109.06509	19.4
109.10149	8.8
111.04448	22.4
111.08112	11.1
117.07018	25.0
119.08584	25.1
119.77717	1.8
121.06510	10.8
121.10140	28.3
123.08068	26.2
125.05983	6.2
125.09616	3.4
128.06190	2.3
129.07007	5.4
130.07793	5.6
131.08601	11.6
132.79079	1.9
133.10132	5.3
134.65027	1.8
135.08051	6.4
135.11691	54.4
137.09619	4.0
143.08566	3.4
145.06459	2.7
145.10138	47.8
147.08020	4.5
149.09625	3.7
153.12743	51.0
155.08562	5.6
163.11179	89.7
164.11452	2.4
173.09628	14.8
175.07225	2.0
181.12247	32.6
187.71481	2.0
191.10675	14.4
199.12950	2.1
202.13383	1.8
209.11713	20.8
222.06596	2.1
227.12790	25.5
283.15396	100.0
284.15768	6.0
293.65689	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	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.6
55.01878	54.8
55.05515	66.9
57.03439	58.2
57.07067	3.7
59.04995	10.2
65.03918	2.6
67.05507	49.4
69.03427	4.2
69.07075	20.1
70.60372	4.3
71.01360	3.3
71.05002	14.1
73.68526	2.1
77.03925	2.3
79.05495	72.5
81.03420	36.2
81.07058	58.8
83.00892	2.8
83.01347	31.4
83.04982	82.7
83.08624	38.6
85.02902	15.4
85.06558	4.6
91.05477	43.4
91.06011	3.1
93.03406	2.1
93.07047	92.6
95.04969	22.6
95.08055	2.7
95.08614	28.7
97.02893	6.4
97.06539	27.1
97.10173	4.6
99.04433	9.2
103.05441	2.7
105.07034	27.7
107.04954	27.1
107.08599	44.2
109.06519	16.8
109.10168	10.2
111.04447	32.7
111.08076	13.5
111.11654	1.7
117.07013	23.8
119.08588	22.2
121.06499	10.9
121.10143	25.5
123.04442	2.2
123.08087	23.3
123.46384	1.9
125.06009	5.8
125.09625	4.1
129.06992	7.9
130.07799	4.0
131.08525	12.5
133.10110	5.1
135.08067	7.8
135.11693	54.0
136.12021	2.5
137.09663	5.4
139.07539	1.8
145.06470	3.7
145.09009	3.6
145.10126	48.9
145.11255	2.8
147.08075	6.8
147.11742	2.7
149.09677	4.4
151.11203	2.3
153.12747	67.0
154.13036	2.0
155.08553	2.9
163.11188	89.9
173.09660	11.9
181.12230	43.6
191.10677	18.1
199.13370	2.8
209.11731	23.8
227.12772	33.6
283.15414	100.0
284.15695	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1539
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03936	5.1
55.01872	41.1
55.05511	70.3
57.03163	3.1
57.03440	61.9
57.07064	5.1
59.05009	10.7
62.13116	1.3
63.45892	1.4
67.05505	39.6
69.03423	4.7
69.04501	3.6
69.04906	8.6
69.07063	13.5
71.01344	4.5
71.05000	12.2
73.02912	1.6
79.05495	63.1
81.03420	37.6
81.07056	63.3
82.07423	2.2
83.01344	47.6
83.04982	45.1
83.08620	41.9
85.02898	14.3
85.06546	3.1
86.99220	1.3
91.05485	41.8
93.07045	90.3
95.04972	26.0
95.08607	26.9
97.02879	10.4
97.06528	15.0
97.10150	4.3
97.66022	1.4
97.76810	1.6
99.04466	7.0
99.08080	2.0
102.99785	1.5
103.05456	2.5
105.04544	1.6
105.07036	33.9
107.04958	26.6
107.08597	44.8
109.06521	26.0
109.10152	6.1
111.04455	13.8
111.08096	6.4
115.05421	2.6
117.07018	21.3
119.08584	29.4
121.06534	11.3
121.10159	28.1
123.04412	2.4
123.08070	30.4
125.05959	6.7
125.09546	3.3
129.06996	6.5
130.07819	5.6
131.08572	11.4
133.10121	5.2
135.08046	6.3
135.11700	45.0
137.09584	5.8
139.07516	3.0
143.08554	4.1
145.06425	2.0
145.10120	55.8
147.08018	7.7
147.11685	3.0
148.76776	1.5
149.09636	3.8
153.12735	13.0
155.08578	5.1
163.11186	100.0
164.11519	2.2
171.11703	1.9
173.09618	15.3
181.12234	15.9
191.10706	7.8
209.11722	25.3
227.12790	10.3
283.15402	92.9
283.20313	3.5
283.26187	2.5
284.15723	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	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.5
55.01876	52.3
55.05515	94.8
57.03441	83.5
57.07073	10.5
58.52059	2.8
59.04996	13.8
60.67361	3.0
65.03934	5.8
67.05509	58.3
67.17017	3.0
69.07079	20.2
70.79478	6.1
71.01360	4.7
71.04979	15.1
71.08627	3.3
79.05497	81.0
81.03423	37.0
81.07062	69.6
83.00892	5.0
83.01349	47.1
83.04987	67.9
83.08620	60.4
85.02926	9.3
91.05482	58.9
93.07045	100.0
94.07421	3.3
94.20460	2.6
95.04976	28.7
95.08616	26.8
97.02894	6.6
97.06521	22.2
97.10155	3.5
99.04468	10.0
103.05465	2.6
105.07033	40.4
107.04955	29.7
107.08597	42.9
109.06514	30.2
109.10149	8.0
111.04453	17.0
111.08086	6.0
117.07019	26.3
119.08591	34.4
121.06500	12.6
121.10149	30.4
122.04842	2.9
123.08064	26.7
125.05968	7.4
125.09649	3.8
128.06270	3.8
129.07034	7.6
130.07803	7.5
131.08539	13.8
133.10210	5.5
135.08128	7.9
135.11699	48.2
137.09612	6.1
139.07550	4.3
143.08566	4.2
145.06503	4.3
145.10136	56.8
147.08092	10.9
153.12773	13.4
155.08525	4.3
163.11183	94.3
173.09618	18.6
181.12276	12.6
182.65152	2.8
191.10680	12.5
191.59224	2.9
209.11693	24.2
227.12807	9.0
255.16003	4.7
283.15396	86.7
283.18356	5.7
284.15796	3.3
284.29449	29.0
295.49750	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	283.1538
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03933	8.7
55.01875	50.0
55.05511	100.0
57.03434	80.5
57.07063	3.5
59.04996	14.8
61.65155	3.6
65.03947	7.3
67.05502	52.6
69.03491	37.8
69.07057	15.8
71.01345	8.6
71.04988	8.7
76.51721	3.4
79.05067	6.2
79.05494	87.3
80.68497	3.5
81.03425	46.6
81.07053	73.6
83.01338	57.2
83.04977	63.7
83.08613	46.8
85.02895	16.4
91.05476	52.9
93.07039	85.4
95.04955	25.4
95.08614	29.7
97.02901	7.8
97.06536	18.5
97.10135	5.6
99.04457	8.9
105.07024	40.5
107.04945	30.8
107.08597	44.7
108.61281	3.4
109.06520	29.6
109.10133	9.6
111.04440	12.5
111.05225	3.2
111.08083	5.2
117.07015	30.9
119.08584	37.5
121.06496	12.6
121.10146	25.6
123.08054	32.0
125.05956	4.8
125.09639	5.7
129.06998	5.8
130.07806	6.8
131.04881	3.7
131.08569	11.5
133.10117	6.5
135.08014	8.4
135.11693	44.6
137.09634	5.9
145.10121	57.4
147.08063	9.7
153.12738	18.1
155.08542	5.8
163.11185	99.3
173.09633	13.4
181.06786	3.9
181.12183	20.1
191.10715	11.5
209.11771	35.1
227.12749	13.7
261.05649	3.6
283.15381	96.1
283.26303	4.7
284.15805	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	283.1539
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03944	3.9
55.01870	41.0
55.05512	51.2
57.03440	56.1
57.07073	3.6
57.26994	1.9
59.04993	7.9
67.05509	44.8
69.03408	2.3
69.07066	15.2
71.01331	2.9
71.04992	15.5
71.87242	1.8
79.05495	64.7
81.03417	29.9
81.07059	49.6
83.01341	26.9
83.04985	59.0
83.08627	30.0
85.02924	10.9
85.06544	4.3
91.05479	32.2
93.06472	4.4
93.07044	77.5
95.04978	18.3
95.08604	25.0
96.52165	1.9
97.02892	7.1
97.06536	23.3
97.10184	2.9
98.22574	4.6
98.34451	1.8
99.04464	7.5
99.08111	2.3
105.07011	21.5
107.04965	27.4
107.08601	39.2
109.06527	17.9
109.10162	7.6
111.04442	28.8
111.08080	10.3
115.05466	2.7
117.07024	21.0
119.08595	19.7
121.06488	10.9
121.10134	24.0
123.04401	2.3
123.08063	18.7
125.05978	5.8
125.09625	3.2
129.06917	2.0
130.07800	2.1
131.08546	8.3
133.10130	3.6
135.08037	5.0
135.11693	47.7
137.09648	4.4
145.10118	47.8
147.08035	6.1
149.09639	5.3
153.12746	46.4
154.13120	2.2
155.08543	5.6
163.11185	81.6
164.11461	3.5
173.09657	13.5
181.12238	30.8
191.10677	18.8
209.11742	37.7
227.12787	33.4
283.15405	100.0
284.15857	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54248	1.8
53.03926	8.0
54.23376	2.0
55.01874	52.7
55.05512	63.5
55.59994	2.0
57.03439	64.3
57.07054	4.4
59.04997	8.8
65.03918	2.5
66.00095	2.1
67.05504	52.9
69.03416	4.3
69.07069	17.0
70.15983	5.2
71.01340	5.3
71.04988	12.9
73.02879	2.3
79.05494	66.9
79.05962	3.2
81.03413	38.1
81.06583	3.6
81.07054	60.2
83.00906	2.4
83.01346	29.2
83.04980	70.0
83.08620	30.7
83.32838	2.1
85.02895	13.8
85.06537	3.7
91.05480	45.0
93.07039	86.2
94.07365	2.2
95.04974	18.8
95.08607	28.6
97.02869	7.0
97.06527	24.3
97.10160	7.3
99.04485	9.9
103.05453	4.1
105.04526	2.2
105.07027	27.1
107.04961	30.6
107.08585	43.6
109.06516	20.8
109.10141	10.6
111.04446	29.8
111.08072	9.9
115.05454	4.5
116.06253	2.5
117.06995	19.7
119.08578	28.5
121.02849	1.9
121.06525	9.5
121.10143	31.0
123.08080	21.1
125.06004	6.2
125.09614	4.4
129.07007	4.0
130.07803	3.7
131.04903	3.6
131.08557	9.0
133.10133	5.2
135.08025	6.4
135.11684	60.3
137.09586	4.3
143.08533	3.9
145.06465	3.5
145.10121	45.9
146.10413	2.1
147.08022	8.4
149.09601	4.7
151.11143	2.5
153.06972	2.0
153.11488	2.7
153.12744	55.3
155.08556	5.5
161.09586	1.9
163.11180	83.2
173.09590	13.5
181.12219	35.5
191.10661	17.0
209.11682	27.7
227.12788	30.2
237.09029	9.4
241.08459	1.8
265.13950	2.1
266.24924	3.3
283.09753	7.4
283.15384	100.0
284.15784	3.6
284.25894	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.9
55.01872	23.0
55.05239	2.8
55.05510	42.1
56.83645	1.7
57.03435	36.4
57.07078	4.0
58.51497	1.9
59.04996	3.3
64.60792	1.8
65.03923	2.4
66.29282	1.9
67.05500	39.3
69.03411	4.8
69.07056	14.6
70.18434	4.0
70.18828	3.9
71.04981	8.9
72.21331	1.7
73.02930	2.4
79.05492	62.5
80.85284	2.0
81.03423	18.2
81.07059	47.9
83.01336	14.3
83.04984	40.2
83.08619	24.3
85.02902	4.9
91.05476	28.7
93.07041	73.9
94.12922	2.0
95.04971	17.8
95.08604	40.5
97.02882	5.5
97.06545	17.7
97.10168	3.1
99.04464	11.2
103.05457	2.2
105.07034	21.0
107.04968	23.1
107.08595	44.8
109.06521	9.7
109.10155	9.0
111.04429	13.2
111.08082	7.4
115.05437	2.1
117.06982	17.1
119.08575	20.7
121.06503	11.4
121.10131	25.5
122.10448	2.5
123.08074	12.4
125.05974	5.6
125.09647	1.9
126.68436	2.3
129.06993	3.1
130.07797	2.8
131.08560	6.3
133.10149	5.8
135.08031	4.4
135.10660	4.3
135.11687	64.0
137.09590	3.9
138.51924	2.1
139.07510	3.2
143.08533	2.4
145.06453	2.3
145.10114	47.6
147.08003	3.8
151.51906	2.2
153.12733	33.6
163.11179	100.0
164.11653	3.2
173.09650	11.0
181.12231	34.9
191.10657	14.3
209.11664	11.5
217.96397	2.0
227.12764	91.8
228.13150	4.0
274.20438	2.4
283.10361	2.5
283.15411	60.0
284.15759	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	283.2054
Annotation	11Z-6s-cis-fixed bicyclic retinal
Peak:m/z	Relative Intensity
53.03944	3.2
55.01872	7.4
55.05513	19.7
57.03439	10.2
57.03670	1.6
57.07066	3.9
59.05004	2.9
60.97724	1.5
65.03938	1.9
67.05511	19.9
69.03417	6.9
69.07076	12.2
69.08099	8.7
69.08509	5.5
71.04979	4.9
79.05488	23.0
81.03410	6.2
81.07059	31.0
83.01333	8.3
83.04980	11.6
83.08624	9.6
85.06532	2.2
89.75835	1.4
91.05472	21.2
93.07043	31.3
95.04979	10.4
95.08606	21.8
97.06532	6.2
97.10170	2.2
105.06383	3.2
105.07030	35.9
105.07684	3.4
107.04930	5.7
107.08595	22.7
109.06534	12.5
109.10152	12.9
111.04429	2.2
111.08070	2.6
117.07008	12.4
119.08580	36.1
121.06493	12.6
121.10140	55.2
122.10437	1.8
123.08077	10.2
123.11688	6.6
124.67012	1.5
125.09631	2.3
128.06207	4.2
129.07002	7.2
130.07764	2.9
131.08560	23.8
133.10129	23.8
133.48302	1.7
135.08046	11.3
135.11685	15.0
137.09610	3.6
142.07797	6.5
143.08562	13.1
144.09357	1.9
145.10121	36.2
145.11250	2.7
147.08073	3.5
147.11674	8.3
149.09668	2.2
153.12788	2.2
155.08559	5.2
156.09305	6.1
157.10141	17.6
158.10909	5.3
159.08072	4.2
159.11690	12.4
161.09621	20.6
161.13202	3.6
163.11157	17.2
165.07039	2.6
167.08537	4.6
169.10114	5.0
170.10907	3.0
171.08035	2.0
171.11684	15.1
173.09639	6.6
173.13266	48.8
174.13576	1.7
175.11191	4.4
175.14841	8.6
179.08557	7.5
180.09360	2.9
181.10104	5.8
181.12312	3.5
183.11621	9.2
185.09613	3.7
185.13228	13.7
187.11227	3.1
187.14803	6.4
189.12668	2.7
191.10631	3.4
193.10097	4.4
194.10860	6.2
195.11755	9.5
197.13260	5.3
199.11160	4.1
199.14851	10.9
201.12732	2.7
201.16396	5.6
207.11703	2.9
208.12437	4.1
209.13304	22.6
210.13882	2.4
211.14738	2.6
213.12685	7.3
213.16362	2.4
223.14836	11.9
224.15454	2.8
225.16275	9.1
227.14452	11.6
235.14850	4.1
237.16364	2.1
239.17964	3.5
241.15901	4.0
255.21053	6.4
265.19519	38.7
283.15747	16.4
283.20538	100.0
283.28018	3.3
284.20917	4.4
298.54279	1.9
303.09271	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2057
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
51.02372	1.3
53.03936	2.2
55.01867	3.0
55.05515	10.5
57.03427	3.1
57.07063	3.8
59.04990	1.5
65.03937	1.6
67.05505	13.3
69.03414	4.0
69.06793	0.8
69.07076	8.4
69.49448	5.6
71.04987	2.3
71.08631	5.9
79.05150	0.8
79.05500	10.7
81.03424	2.2
81.07055	16.3
83.01338	2.5
83.04990	5.3
83.08619	4.5
85.06542	2.8
91.05489	15.3
93.07050	16.9
95.04961	3.3
95.08611	11.2
97.06517	3.6
97.10192	1.1
99.08103	3.1
103.05468	1.8
105.07038	25.5
107.04971	1.6
107.08595	15.4
109.06551	5.3
109.10173	8.1
111.04420	1.2
111.08098	1.5
113.08471	1.0
115.05445	3.2
117.07023	7.7
119.07781	1.7
119.08590	23.9
121.06522	6.8
121.10150	14.6
123.08070	2.3
123.11715	5.0
128.06154	4.5
129.07002	15.7
130.07814	1.6
131.08575	15.7
133.06476	1.7
133.10136	13.3
135.08040	7.6
135.11668	5.2
139.11215	1.1
141.07013	9.7
141.12704	2.4
142.07793	5.0
143.08583	16.1
144.09329	1.3
145.06490	1.9
145.10135	20.7
147.08035	3.2
147.11685	4.4
149.13315	1.9
153.07002	2.7
154.07773	3.4
155.08566	15.1
156.09317	5.0
157.10130	20.3
158.10876	3.2
159.08080	5.8
159.11700	8.7
161.09616	11.2
161.13297	2.4
163.11203	5.9
165.07024	4.1
166.07762	2.4
167.08568	7.9
168.09363	2.4
169.10129	16.8
170.10802	2.6
171.08047	7.7
171.11702	12.7
172.08751	1.6
173.09711	4.1
173.13269	32.3
175.11191	3.8
175.14804	4.2
179.08536	6.0
180.09364	2.0
181.10139	11.1
182.10794	1.3
183.11684	11.3
184.12421	2.2
185.09688	5.1
185.13280	13.6
187.11296	2.1
187.14786	3.3
189.12749	2.0
192.09354	1.0
193.10135	3.6
194.10930	6.2
195.11696	15.2
196.12344	1.6
197.09590	1.7
197.13293	5.0
198.10295	1.2
199.11221	5.5
199.14813	9.3
201.12746	2.8
201.16351	2.9
207.11716	2.8
208.12500	3.2
209.11449	1.3
209.13278	23.6
210.13902	3.1
211.14830	2.7
213.12793	8.6
213.16367	2.5
215.14256	1.5
221.13329	1.7
223.14822	9.6
225.16330	7.1
227.12746	0.9
227.14355	10.7
235.14751	1.9
237.16411	3.1
239.17859	4.3
241.15855	2.7
250.17198	2.4
255.17287	1.4
255.21104	3.5
265.19522	35.6
266.19843	1.4
275.80264	0.9
283.15433	4.3
283.20557	100.0
284.20901	6.2
284.29559	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2056
Annotation	(2E,4E,6Z)-7-(7,7-Dimethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-3-methyl-octa-2,4,6-trienal
Peak:m/z	Relative Intensity
53.03936	3.5
55.01872	11.3
55.05514	23.9
57.03446	15.8
57.07060	3.5
59.05003	3.3
67.05183	2.1
67.05510	23.0
69.03419	6.4
69.07069	9.8
70.43236	3.9
71.04977	7.7
75.28518	1.2
78.42129	1.4
79.05495	27.9
81.03428	9.9
81.07062	34.1
83.01350	12.0
83.04990	14.2
83.08622	15.6
85.02890	4.2
85.06531	1.6
91.04952	2.6
91.05476	23.6
93.07049	38.9
95.04970	12.1
95.08032	2.4
95.08602	19.5
97.02889	1.4
97.06513	7.7
99.04433	2.5
103.05436	2.7
105.07036	42.5
107.04947	9.0
107.07950	2.5
107.08604	26.1
109.06532	13.9
109.10146	14.9
111.04414	2.9
111.08063	3.5
115.05506	2.5
117.07007	11.5
119.08586	33.7
121.06512	9.7
121.10149	92.2
122.10407	1.9
123.08067	15.6
123.11699	6.2
125.09606	2.5
128.06212	4.5
129.07008	6.9
130.07773	4.3
131.08571	21.5
133.07635	2.8
133.10156	22.2
135.08058	7.6
135.11705	18.4
137.09607	2.4
141.06990	2.5
142.07796	3.9
143.08524	11.5
144.09265	1.9
145.10129	41.1
146.07256	2.3
147.08034	4.5
147.11705	10.5
149.09639	5.4
149.13196	2.4
151.11143	1.5
153.12767	3.9
155.08528	4.7
156.09329	2.5
157.10139	16.0
158.10910	5.2
159.08051	2.9
159.11719	11.1
161.09630	20.9
161.13243	3.7
163.11182	27.9
167.08545	2.1
168.09331	1.9
169.10127	6.5
170.10866	1.9
171.08047	2.0
171.11752	13.8
173.09718	7.0
173.13266	40.9
173.39912	1.5
173.64441	1.4
175.11169	4.5
175.14775	5.8
179.08545	3.0
181.10107	4.8
181.12244	3.9
183.11664	6.7
185.09660	2.0
185.13280	9.8
187.11264	1.5
187.14801	8.9
189.12791	3.0
191.10674	4.1
191.14236	2.2
194.10829	3.7
195.11674	6.6
196.12328	1.6
197.13277	3.0
199.11172	3.2
199.14809	8.0
201.12866	1.6
201.16420	3.7
207.11658	1.7
209.11604	9.0
209.13416	9.6
210.13864	2.0
211.14767	2.9
213.12744	4.5
213.16325	3.7
215.14276	1.7
223.14830	6.3
225.16412	5.2
227.14514	7.0
237.16428	1.8
239.18071	2.0
255.21129	7.2
265.19513	23.2
272.38962	1.6
283.15628	23.8
283.20566	100.0
284.20856	5.9
284.29532	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	283.2631
Annotation	Octadecadiene-1,18-diol
Peak:m/z	Relative Intensity
53.03947	6.9
55.01874	11.6
55.05511	53.2
57.03438	17.0
57.07077	51.3
59.04988	1.4
67.05503	33.0
69.03425	2.2
69.07068	64.3
69.71172	5.7
71.04989	6.1
71.08633	30.5
73.06547	1.7
79.05070	2.0
79.05495	29.7
79.05941	1.0
81.03407	7.2
81.07055	48.2
83.01343	6.4
83.04972	13.8
83.08618	42.5
84.08910	1.5
85.02899	1.7
85.06535	5.7
85.10181	14.6
89.06036	1.1
91.05479	21.7
93.07041	45.2
95.04974	5.9
95.08604	37.6
97.02865	1.7
97.06529	21.5
97.10166	29.2
99.04488	1.5
99.08094	4.2
101.06044	1.4
105.04497	1.9
105.07024	11.2
107.04996	6.0
107.08590	28.8
109.06542	6.2
109.10149	14.4
111.04434	4.8
111.08079	12.5
111.11724	9.9
115.07550	3.5
117.06974	6.2
117.49283	1.1
119.08572	8.2
121.06504	100.0
121.10139	28.0
122.06848	3.8
123.08080	5.2
123.11740	7.5
125.09646	7.9
125.13272	2.6
127.11161	1.7
129.06998	2.2
129.09111	2.0
130.07832	1.7
131.04883	1.6
131.08557	4.3
133.10112	3.4
135.08051	1.6
135.11697	26.3
137.09659	1.1
137.13237	2.8
139.11180	9.8
143.08551	2.7
143.10707	1.5
145.10135	12.6
147.08034	2.4
147.11670	1.5
147.12805	1.2
149.09612	1.2
149.13258	13.6
151.14853	2.0
151.68762	1.2
153.12711	10.0
157.10147	2.1
157.12372	1.2
163.11176	18.0
163.14795	10.3
165.16362	1.5
167.14304	3.8
169.10124	1.3
171.11646	1.7
173.09657	3.7
177.16325	7.9
180.04213	1.2
181.12219	4.0
181.15816	2.8
185.13269	2.0
191.10608	3.6
191.17998	6.1
192.11205	1.2
195.17424	3.5
197.13242	1.5
199.16893	1.2
209.11694	5.9
209.13455	1.9
209.19028	2.3
223.14876	1.8
223.24213	1.2
227.12779	2.6
247.24207	19.5
265.19479	3.5
265.25256	9.7
283.15414	18.2
283.20459	9.4
283.26270	2.5
284.15659	1.6
284.29297	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.1
55.01878	12.4
55.02110	3.0
55.05497	3.5
56.05851	2.2
57.03437	13.5
61.02912	5.6
63.90514	1.8
67.05505	5.5
69.03431	41.9
69.07066	4.1
69.89364	8.8
71.04987	7.3
73.02914	9.2
79.05493	4.9
80.05827	2.4
81.03419	33.9
81.07064	6.2
83.01366	2.3
83.05008	3.3
85.02907	100.0
87.00830	41.4
87.04437	2.0
91.03935	3.4
91.05475	3.8
93.07075	5.2
94.07411	3.8
95.08611	2.4
97.02892	62.9
97.06524	9.1
99.04449	14.2
105.01868	51.9
105.07058	2.9
107.04964	2.9
107.08579	2.6
108.04481	10.8
108.08974	2.1
109.02888	31.3
117.01869	5.4
122.10502	2.1
126.05525	3.8
127.03915	89.1
128.68536	1.9
129.01846	3.9
145.04962	71.2
145.06136	3.4
146.10422	1.9
147.02888	4.9
159.02898	28.3
162.07709	2.2
163.11140	4.1
164.11485	4.1
213.03987	4.0
230.06741	3.6
231.04968	23.7
243.06450	5.3
248.07741	4.2
249.06018	3.8
257.09058	2.7
284.09888	3.3
284.15829	5.0
285.08685	4.7
285.11526	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	284.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.2
56.96571	0.5
57.03434	0.6
57.07072	0.1
61.02940	0.2
67.05488	0.3
69.03438	0.7
70.14912	0.2
70.15283	0.3
73.02912	0.3
81.03422	0.4
83.04982	0.2
85.02914	1.2
85.06541	0.5
86.03239	0.1
86.06896	0.1
87.46851	0.2
91.28719	0.1
94.04049	0.4
97.02889	0.6
98.97594	0.7
99.04452	0.2
101.00902	0.3
113.00858	0.2
113.05965	0.2
116.98625	0.4
119.01939	0.9
119.03551	0.9
127.02476	0.2
127.03968	0.2
130.26836	0.1
131.01910	0.5
135.03094	0.3
136.06187	100.0
137.04573	0.5
137.06638	1.2
143.01912	0.2
145.03453	0.2
145.05052	0.3
146.12914	0.1
151.04254	0.1
151.54329	0.2
152.05699	4.3
153.04062	0.3
153.55957	0.2
155.01936	0.2
157.03464	0.2
158.99858	0.2
160.04880	0.2
161.04572	0.2
164.05675	0.2
169.03276	0.1
177.00935	1.1
178.01157	0.2
197.06660	0.2
201.00912	0.2
217.04034	0.2
219.01971	1.6
220.02185	0.2
221.05130	0.3
232.19455	0.1
233.06842	0.1
234.99782	0.2
243.01999	0.7
257.04932	0.2
259.06744	0.1
261.03067	7.9
262.03183	0.8
266.06375	0.1
266.08841	3.0
266.11481	0.2
277.07504	0.2
279.00650	0.4
284.09894	9.4
285.04535	0.5
285.10217	0.4
302.01163	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24162	0.6
52.78786	0.6
53.03944	2.8
55.01870	2.0
55.05519	0.9
57.03432	3.0
61.02925	3.5
64.32146	0.6
65.03938	0.9
66.98463	0.8
67.05501	13.6
67.24213	0.6
69.03423	5.5
69.07066	2.0
69.34563	4.8
70.06590	1.7
73.02918	2.5
79.05486	4.3
80.05007	1.1
81.03418	10.2
81.07048	3.1
82.02930	1.4
82.06567	1.1
84.04496	0.8
85.02897	3.7
86.09686	0.7
87.11232	0.6
91.05508	1.5
93.05797	0.9
93.07025	0.7
94.06572	2.4
95.04970	13.4
96.04498	3.3
96.05254	0.7
96.99747	0.7
97.02895	17.2
97.06552	1.2
98.23380	0.6
99.04451	1.8
103.03951	6.2
105.07016	1.0
107.04916	0.8
107.07328	2.2
108.08119	10.2
109.02889	7.3
109.06490	0.8
110.06080	3.2
120.45459	0.8
122.06038	5.7
122.09684	3.6
123.04436	1.3
124.07600	1.0
126.05525	1.1
127.03930	5.6
132.08101	0.8
135.06776	1.0
136.07587	2.1
140.07051	14.3
140.08064	1.2
150.09143	18.9
150.10313	1.4
152.05844	1.2
152.07071	20.8
153.01561	0.8
154.08438	1.0
164.07050	2.2
166.08633	1.5
168.06543	1.2
171.02647	1.2
178.08632	56.0
179.08955	1.8
180.10182	0.9
182.08192	4.3
192.06557	1.3
192.10202	2.4
192.13922	0.6
193.07692	0.9
194.08173	1.3
195.09245	1.2
202.08589	1.0
206.08128	100.0
207.08400	2.7
218.08133	26.6
219.08354	0.8
220.09724	3.1
223.08453	0.8
236.09174	2.9
239.08121	0.9
248.09189	7.0
266.10159	1.2
284.11453	5.5
284.15610	1.2
284.18558	0.8
285.08542	2.3
285.11536	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
55.01888	0.9
55.05511	6.0
55.05761	0.4
55.54491	0.3
56.05039	0.4
56.05857	0.3
57.03445	1.0
57.07075	0.4
58.03780	0.5
58.06598	6.3
58.06881	0.5
65.03929	0.5
67.05501	12.7
68.05846	0.4
68.98150	0.3
69.03432	0.6
69.07069	3.4
69.59124	1.4
70.06586	0.7
71.05006	1.0
72.08182	0.4
77.03909	0.3
79.05491	10.7
79.92901	0.3
80.05834	0.7
81.03412	2.9
81.07054	12.0
82.06589	1.2
82.07384	0.7
83.01392	0.4
83.04972	1.6
83.08593	1.5
84.05338	0.5
84.08151	1.2
85.02921	0.5
85.06564	1.3
91.05480	6.5
91.06013	0.5
92.05849	0.5
93.07040	12.8
94.07409	0.8
95.04960	1.7
95.08603	11.7
96.08137	0.7
96.08944	0.4
97.02934	0.7
97.06541	0.8
97.10224	0.3
98.09689	3.5
99.04423	0.3
99.08130	0.4
105.07023	4.2
107.04964	0.9
107.08591	4.4
108.05333	0.3
109.06541	0.5
109.10155	1.9
110.09730	0.4
111.04474	1.0
111.08098	0.7
112.11269	0.6
112.91348	0.3
117.07034	0.3
119.08591	3.6
120.08907	0.3
121.10149	3.3
122.09694	0.5
122.10507	0.4
123.08032	0.4
123.11728	1.0
124.08386	0.3
124.11240	3.5
131.08600	0.6
132.08865	0.3
133.10124	3.1
135.11690	2.3
136.12090	0.8
137.13196	0.4
138.12808	0.8
145.10104	0.7
145.38222	0.3
146.10484	0.7
147.11678	1.6
149.09698	0.3
149.13272	0.9
150.12788	0.6
152.14326	1.1
157.10185	0.4
161.13254	1.0
163.11226	0.5
164.11569	1.1
175.14804	0.6
178.15854	0.5
182.12582	0.5
192.17522	0.4
193.12244	0.9
206.19019	2.1
209.11955	0.4
210.12030	1.6
222.22031	0.5
228.13182	0.5
234.90126	0.3
248.23741	12.0
249.24205	0.6
257.08990	0.3
266.24774	100.0
267.25076	4.4
273.78555	0.3
284.15955	2.0
284.25821	12.3
285.08783	0.5
285.11963	0.4
285.26010	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Botryaloic acid
Peak:m/z	Relative Intensity
53.03942	4.5
55.01858	7.1
55.05510	28.3
57.03434	57.4
59.04991	2.2
60.77358	1.2
65.03937	2.6
67.05500	43.1
69.03421	4.9
69.07067	11.7
69.50755	2.9
69.51165	5.5
70.93187	1.3
71.04991	13.3
77.03912	1.7
79.05017	1.4
79.05487	44.7
81.03413	100.0
81.07051	54.9
81.07528	2.9
83.04982	21.1
83.08614	33.9
85.02901	92.2
85.06530	5.8
87.04467	3.4
91.05476	51.6
93.07038	29.1
94.07387	1.3
95.04961	43.4
95.08595	21.0
96.05286	1.4
97.02880	4.3
97.06518	9.7
97.10155	5.0
98.23242	2.3
99.08038	2.4
105.07022	40.8
107.04957	10.1
107.08576	11.3
109.06511	8.9
109.10152	5.5
111.04450	3.9
111.08076	18.8
113.06021	7.6
115.05512	1.9
117.07011	3.6
119.07778	2.7
119.08575	29.8
121.06531	2.0
121.10126	15.8
123.08077	5.1
123.11700	2.8
125.05953	1.7
125.09612	1.9
129.06998	15.1
131.08583	16.2
133.06488	3.1
133.10120	19.1
137.09619	3.2
142.07773	4.0
143.04691	1.4
145.10173	2.2
147.08044	5.1
147.11676	25.5
149.09592	9.0
157.10117	21.8
163.11057	2.1
165.12704	7.8
175.11171	22.7
193.12230	80.6
194.12621	1.9
200.34323	1.3
211.13280	55.9
212.13651	1.5
267.15921	5.4
285.16943	57.7
286.17410	3.6
286.27280	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03936	3.7
53.68939	2.0
55.01875	5.2
55.05512	21.0
57.03442	41.0
64.77482	1.6
65.03952	1.6
67.05509	31.6
69.03429	5.1
69.07070	7.0
69.29130	12.0
69.29525	3.5
70.50996	1.8
71.05001	9.8
72.69176	1.7
76.80613	1.6
79.05501	26.6
81.03423	100.0
81.07060	39.0
83.04992	14.9
83.08626	31.6
83.14374	1.9
85.02906	61.5
85.06500	2.9
87.04481	2.3
91.05482	36.7
93.07050	23.5
95.04974	37.4
95.08613	16.3
97.02879	3.0
97.06536	7.3
97.10178	4.0
99.08103	2.5
105.07034	32.3
107.04981	9.6
107.08614	8.8
107.98854	1.9
109.06528	6.3
109.10117	3.8
111.04435	3.3
111.08082	18.4
113.06013	5.6
115.05453	2.6
117.07054	3.0
119.08575	27.0
121.06516	2.7
121.10136	13.7
123.08063	2.1
123.11601	3.4
125.09612	2.2
129.07005	11.4
131.08568	13.5
133.06500	4.7
133.10104	10.4
135.11777	1.9
142.07774	3.4
147.07994	4.3
147.11714	26.3
149.09607	7.4
157.10120	19.7
163.11252	2.2
165.12764	5.0
175.11162	22.8
178.05063	1.9
193.12262	82.2
194.12563	3.9
211.13309	49.7
229.14340	5.1
248.15524	1.6
249.15260	1.8
267.15912	6.2
279.93686	1.7
285.12216	2.7
285.17007	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.3
55.01877	5.2
55.05518	29.2
57.03440	51.3
57.07085	4.1
60.08166	6.9
67.05507	46.3
69.03447	4.7
69.07070	10.9
71.05002	12.6
76.52179	2.2
79.05494	40.7
81.02932	3.1
81.03419	85.9
81.07060	54.4
83.04989	19.9
83.08621	35.5
85.02908	100.0
85.06531	5.7
90.60228	2.1
91.05483	48.8
91.06018	4.1
93.07046	27.9
95.04968	40.1
95.08607	21.6
97.02919	4.3
97.06544	5.6
97.10151	2.3
98.22565	4.7
105.07030	34.7
107.04951	4.5
107.08604	16.6
109.06532	10.0
109.10173	8.1
110.24212	2.0
111.04476	6.0
111.08082	17.3
113.05988	9.8
117.06994	3.7
119.08585	28.1
119.34293	2.1
121.10160	17.5
123.08051	3.1
125.09627	2.8
129.07022	15.7
131.08568	20.2
133.10143	15.4
137.09671	3.9
142.07776	3.3
145.10170	3.4
147.08040	4.3
147.11700	24.0
149.09650	8.4
157.10120	22.8
165.12778	6.4
175.11220	25.4
189.21843	2.6
193.12238	83.0
194.12665	3.0
210.09166	2.3
211.13309	68.6
212.13911	2.3
219.82164	2.3
225.11525	3.8
227.11908	4.0
235.03314	2.3
240.13875	2.9
242.14253	3.5
257.16434	4.0
284.33136	15.0
285.16840	47.1
285.21954	5.0
285.33389	18.3
290.17352	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.9
55.01874	6.7
55.05510	27.6
57.03434	50.3
57.07085	1.9
58.03804	1.5
59.04962	2.0
65.03938	3.7
67.05502	48.6
69.03432	11.6
69.07067	13.6
70.51287	1.3
71.04996	13.2
71.13734	1.3
71.14068	1.3
79.05494	42.4
81.03420	100.0
81.07054	57.1
82.03769	2.2
82.07355	1.4
83.04980	19.1
83.08620	31.8
85.02905	86.6
85.06541	4.5
87.04478	1.9
91.05479	50.9
92.05788	1.5
92.54481	1.5
93.07037	33.9
94.06584	1.8
95.04967	43.4
95.08602	23.7
97.02896	6.9
97.06509	9.1
97.10173	4.8
99.04436	2.0
99.08134	1.4
105.07030	37.8
107.04942	8.4
107.08601	14.8
108.66010	1.5
109.06526	9.2
109.10126	8.3
111.04442	5.4
111.08080	20.4
113.06017	10.5
115.05453	1.7
117.07027	2.9
119.04888	1.6
119.08583	31.1
121.06516	5.3
121.10142	19.6
123.04405	2.0
123.08053	6.9
123.11703	4.3
125.05988	2.1
125.09609	1.7
127.07558	1.8
129.07005	16.5
129.51955	1.3
131.08557	17.6
133.06480	6.1
133.10133	17.9
135.08018	2.1
135.11652	2.7
137.09663	4.1
138.05522	1.5
142.07764	4.2
145.04938	2.4
145.10132	3.3
147.08063	4.8
147.11687	28.0
149.09607	12.2
151.07536	1.6
157.10130	21.4
161.05907	1.4
163.11166	2.1
164.10593	1.6
165.12781	6.5
175.11183	23.4
181.07603	1.9
193.07608	5.0
193.12238	82.0
194.12576	3.0
195.09157	2.6
198.07826	1.7
200.12782	2.5
211.13297	45.2
212.13660	2.5
221.07191	12.7
223.08685	1.7
239.07829	1.2
249.06535	1.5
249.18581	1.7
253.08626	1.9
257.09201	4.3
267.07645	3.1
267.11151	1.9
267.15897	4.7
270.10205	1.5
285.08670	18.2
285.12131	8.4
285.16956	54.9
286.17279	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.4
55.01874	5.7
55.05509	32.8
57.03435	62.3
58.34256	1.1
59.05005	1.7
65.03938	1.6
67.05502	50.4
69.03422	7.6
69.07060	15.0
70.11680	1.8
70.12054	2.3
71.04993	14.1
79.05489	49.8
81.03416	100.0
81.07050	60.0
82.03717	1.6
83.04982	21.6
83.08611	37.6
85.02900	90.8
85.06528	4.3
87.04466	2.6
91.05475	59.8
92.05798	1.6
93.07038	34.7
93.07629	1.7
94.07370	1.7
94.41725	1.1
95.04965	47.0
95.08604	23.2
95.09176	2.3
97.02876	4.7
97.06538	7.4
97.10173	3.9
98.23389	1.4
99.04430	1.4
99.08082	3.1
103.05474	1.4
105.07021	43.9
106.07333	1.6
107.04954	11.1
107.08585	13.3
109.06526	9.4
109.10155	5.1
111.04443	4.8
111.08076	23.3
113.05997	6.2
115.05423	2.0
117.07010	2.6
119.08574	34.3
121.06523	2.6
121.10139	18.2
123.08072	6.5
123.11707	4.2
125.09608	2.6
129.06985	13.7
131.08559	19.2
133.06480	4.9
133.10120	20.2
135.08043	2.4
137.09630	4.6
142.07768	4.0
145.10114	2.0
147.08051	6.1
147.10500	1.6
147.11674	30.0
149.09618	9.6
151.07515	1.8
151.11180	2.9
157.10135	25.2
165.12807	6.0
175.11176	28.1
176.11549	1.1
193.12230	90.0
194.12561	2.9
211.13289	58.6
212.13719	1.4
224.08221	1.2
229.14349	1.6
242.21634	1.2
250.35709	1.0
267.08752	1.5
267.15897	5.3
267.25125	4.8
268.26376	2.6
285.08777	2.0
285.16937	64.5
286.17346	1.9
286.27319	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2213
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
53.03953	4.0
55.05513	27.5
57.07089	6.4
67.05503	32.4
69.07068	59.7
71.04987	6.0
79.05499	18.7
81.07059	45.8
82.07388	3.5
83.05006	6.2
83.08627	14.3
87.27760	3.6
91.05477	20.7
93.07060	35.8
95.04975	12.9
95.08616	49.1
97.06529	15.1
97.10159	5.0
98.23376	9.4
104.65418	4.0
105.07029	73.7
107.08588	47.3
109.06511	21.1
109.10165	35.8
111.08117	8.4
117.07043	9.5
119.08588	100.0
121.06541	10.7
121.10151	36.9
123.08084	6.6
123.11714	39.1
126.83231	4.0
128.06259	4.7
129.06989	4.0
131.08574	13.2
133.10129	55.2
134.02832	3.7
135.08051	13.4
135.11693	16.3
137.09596	5.9
141.07010	4.1
142.07703	4.9
143.08597	12.9
144.09097	3.5
145.10097	25.7
146.07298	8.3
147.11714	26.1
149.13319	4.7
155.08531	8.2
156.09377	7.8
157.10136	13.4
159.11705	20.3
161.09624	78.0
161.10893	5.4
161.13304	12.8
162.09943	3.9
163.78185	3.9
167.08629	3.8
169.10135	9.9
171.11705	12.5
173.13292	11.7
175.11325	5.4
175.14825	62.4
177.16440	15.6
183.11708	6.1
185.13290	14.2
187.14880	5.1
193.15923	12.9
193.93996	3.5
197.13313	10.4
199.14786	4.9
201.12769	5.0
211.14851	11.3
215.17992	9.1
267.21097	20.2
285.22168	69.4
286.22430	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2212
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
53.03936	3.5
55.01892	3.3
55.05516	23.0
57.03448	5.2
57.07075	6.0
67.05509	36.6
69.03441	6.3
69.07069	72.6
71.04994	12.9
71.05337	2.7
79.05504	19.9
81.03426	2.9
81.07056	61.3
83.05022	4.7
83.08630	14.5
85.02905	3.8
85.06569	2.8
86.07302	2.5
91.05476	32.2
93.07047	37.6
95.04971	16.1
95.08607	54.0
97.06528	18.2
97.10178	6.6
98.23370	6.2
99.08112	2.6
105.07030	77.6
107.04976	3.2
107.08600	50.5
109.06522	35.9
109.10143	38.9
109.10814	3.4
111.08096	11.1
111.11758	2.4
115.05467	4.0
117.07031	7.3
119.06188	2.4
119.08586	100.0
120.09003	2.7
121.06511	18.4
121.10155	44.7
122.10451	3.3
123.08096	8.3
123.11708	37.1
128.06233	5.0
129.07050	3.0
131.08574	16.2
133.10136	64.4
135.08081	18.5
135.11647	14.0
137.09653	8.3
137.13286	2.8
143.08553	9.0
145.06499	2.8
145.10123	37.3
146.07268	15.7
147.08072	4.5
147.11702	31.1
149.09613	5.4
149.13281	5.1
155.08533	6.8
156.09354	7.3
157.10136	15.2
159.08055	5.1
159.11699	22.0
161.09624	96.3
161.13228	12.3
162.09984	3.2
163.14877	4.1
169.10152	10.2
171.11717	9.7
173.09677	3.5
173.13310	13.0
175.11227	10.3
175.14828	82.4
177.16397	15.5
182.11015	3.3
183.11739	8.3
185.13268	15.9
187.11317	2.6
187.14850	7.3
189.12766	4.1
189.16402	5.4
191.14323	2.5
193.12245	4.4
193.15846	11.7
196.12497	3.8
197.13289	12.9
199.14787	5.5
201.12752	2.6
201.16463	4.6
203.17950	2.7
211.14859	17.8
215.14398	3.8
215.17967	7.7
217.15941	3.9
225.16411	6.5
227.17969	3.9
229.15910	2.9
257.22723	3.8
261.46823	2.8
266.90854	2.4
267.20987	21.4
282.79184	2.7
285.18933	3.9
285.22116	76.7
285.33502	4.3
286.22522	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	285.2213
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
52.70177	0.6
55.01876	0.9
55.05510	4.7
57.03425	1.8
57.07076	4.6
65.54285	0.6
67.05507	8.1
69.07054	4.3
71.04984	1.5
71.08627	1.7
72.08144	1.5
77.56756	0.5
79.05486	5.2
81.03414	1.1
81.07052	4.7
82.17883	0.6
83.04970	1.9
83.08615	1.9
85.06519	1.8
85.10195	0.8
90.09181	0.8
91.05473	8.5
93.07040	4.1
95.04974	1.1
95.08612	4.5
97.06531	3.5
97.10159	1.4
103.05444	1.1
105.07031	8.0
107.08592	2.4
107.27489	0.6
109.06517	1.0
109.10175	1.1
111.36504	0.6
115.05459	2.5
117.07017	13.2
118.07350	0.6
119.08611	3.1
121.10135	2.2
123.08104	1.1
128.06204	5.0
129.07004	64.6
130.07726	2.2
131.08566	36.0
132.08827	0.8
133.06488	0.7
133.10107	2.4
135.11629	1.0
141.06984	16.0
142.07762	1.8
143.08549	10.4
145.06496	1.7
145.10117	34.1
146.10478	1.3
147.08057	1.6
147.11612	1.5
149.09584	1.4
153.07005	1.2
154.07747	1.4
155.08554	12.3
156.09174	1.2
157.10121	21.6
159.08105	4.0
159.11688	6.6
161.09613	1.4
161.13242	0.9
167.08574	1.2
167.15593	0.6
168.09344	2.3
169.10123	14.6
170.10680	0.7
171.11697	10.9
173.09633	7.2
173.13281	4.8
175.01138	0.6
175.11142	1.0
175.14854	1.2
181.10100	0.9
182.10878	1.0
183.11682	16.3
185.13266	4.4
187.11160	4.0
187.14784	2.6
189.09152	0.7
189.12729	1.2
197.13301	7.8
199.14784	1.7
201.12741	14.3
201.16408	4.0
206.64642	0.6
211.11456	0.7
211.14830	6.3
213.16377	2.5
215.14288	4.6
215.17976	2.7
225.16373	2.0
228.87646	0.8
229.15851	1.7
230.24896	0.7
239.17918	1.5
241.19478	7.8
243.17485	0.9
243.21017	1.0
257.22620	1.2
267.21066	14.5
268.21359	0.8
285.22101	100.0
286.22305	4.8
286.31107	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	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
54.92088	0.1
55.01873	0.1
65.03939	0.4
67.01866	0.3
68.99439	0.2
68.99790	2.3
69.03429	0.2
71.07084	0.2
76.93854	0.1
79.05490	0.7
79.05890	0.1
81.03407	0.4
81.07059	0.1
85.02938	0.1
91.05440	0.1
91.19219	0.1
93.03422	0.1
95.04974	0.3
95.70867	0.1
97.02891	0.2
103.05466	0.2
105.03400	0.8
105.07009	0.2
107.04966	1.3
109.02879	0.8
111.00806	1.4
111.04433	0.4
115.05457	0.3
117.07002	0.2
119.04943	0.2
121.02873	7.1
121.03919	0.4
122.03179	0.1
127.03926	0.2
128.06143	0.1
129.06975	0.3
133.02870	0.9
133.06514	0.1
135.04414	0.4
135.08057	0.1
137.02339	2.3
141.07019	0.4
145.02859	0.1
145.06473	0.5
147.04405	1.5
153.01830	11.7
154.02124	0.2
157.06490	1.6
161.02437	0.1
161.05969	0.5
165.01848	3.8
166.02437	0.2
169.06500	0.2
171.04375	0.7
173.05969	0.2
175.03905	0.2
175.07678	0.1
183.02879	1.8
185.05995	1.3
189.05487	0.2
197.05984	0.3
198.52547	0.1
199.04015	0.2
200.09419	0.1
201.05580	0.1
203.03380	0.2
203.07051	0.3
213.05461	3.4
214.05881	0.1
217.05014	0.2
223.15678	0.1
229.04913	0.5
231.06525	1.3
241.04948	1.5
242.05699	0.1
243.06551	0.3
245.04367	0.1
258.05240	2.5
259.06033	0.9
263.05527	0.1
269.04398	0.4
285.03796	0.1
287.05490	100.0
288.05829	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	287.0549
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03942	0.2
55.01865	0.3
63.02400	0.1
65.03622	0.1
65.03918	0.6
67.01863	0.3
67.05499	0.1
68.99789	2.8
69.03413	0.4
69.07063	0.2
70.92087	0.1
76.94551	0.1
77.14665	0.1
79.05488	1.2
81.03410	0.4
81.07053	0.3
83.04987	0.1
85.02885	0.1
87.04436	0.1
91.05473	0.3
93.07018	0.2
95.01289	0.1
95.04955	0.4
95.08607	0.1
97.02873	0.1
97.06549	0.2
98.22646	0.1
101.98446	0.1
103.05471	0.3
105.03395	0.9
105.04479	0.2
105.07022	0.2
107.04298	0.1
107.04966	1.5
107.08556	0.2
107.61861	0.1
109.02879	0.8
109.10164	0.1
111.00800	1.6
111.04452	0.4
114.14617	0.1
115.05452	0.3
117.07018	0.2
119.04916	0.3
120.51985	0.1
121.02866	7.5
121.03928	0.5
121.06471	0.2
123.04406	0.1
125.02382	0.1
127.03902	0.3
128.06207	0.3
129.06969	0.4
133.02855	1.0
133.06465	0.1
135.04398	0.5
135.08057	0.2
137.02332	2.5
141.06975	0.3
144.22818	0.1
145.06479	0.8
147.04414	1.7
153.01822	12.4
154.02177	0.2
157.06488	1.6
160.05148	0.1
161.05966	0.5
163.07530	0.1
165.01826	4.1
165.06992	0.2
166.02417	0.1
167.05002	0.1
169.06345	0.1
171.04427	0.9
175.03896	0.2
183.02917	1.6
183.04445	0.2
184.05157	0.2
185.05940	1.3
189.05470	0.4
197.06039	0.3
199.03915	0.2
201.05437	0.1
203.03171	0.1
203.07103	0.1
211.07469	0.2
212.04637	0.1
213.05453	3.5
214.05943	0.2
216.04256	0.2
217.04823	0.1
223.08705	0.4
229.05011	0.7
231.06503	1.2
241.04916	1.5
242.05562	0.1
243.06500	0.3
245.04454	0.1
258.05231	2.7
259.05923	1.0
269.04416	0.3
269.08484	0.3
287.05475	100.0
288.05829	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	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
55.01868	0.1
65.03915	0.3
67.01854	0.5
68.99788	2.5
69.03411	0.3
69.21922	0.2
69.22327	0.4
71.01340	0.2
74.97089	0.1
79.05495	0.6
81.03417	0.3
95.01363	0.1
95.04994	0.2
103.05486	0.2
105.03384	0.9
107.04956	1.2
109.02887	0.8
111.00806	1.6
111.04420	0.3
115.05443	0.3
117.06987	0.3
119.04941	0.1
121.02868	7.2
121.03905	0.4
125.02386	0.1
127.03901	0.2
129.06987	0.5
131.04933	0.2
133.02858	0.9
133.06560	0.1
135.04396	0.3
135.08076	0.2
137.02341	2.3
139.05421	0.1
141.06972	0.3
145.06493	0.7
147.04405	1.3
153.01822	11.6
154.02173	0.3
154.92706	0.1
157.06490	1.4
161.06009	0.5
165.00485	0.2
165.01828	3.5
166.81242	0.1
169.06474	0.2
171.04376	0.7
173.05878	0.1
175.03827	0.2
175.07477	0.1
183.02898	1.7
185.05963	1.2
189.05475	0.4
197.05963	0.3
199.03874	0.1
203.03474	0.1
203.06981	0.3
213.05460	3.5
214.05984	0.2
217.04997	0.2
229.04938	0.4
231.06487	1.3
232.06847	0.1
241.04955	1.7
242.05650	0.1
243.06488	0.1
245.04440	0.1
257.04526	0.2
258.05237	2.3
259.06006	0.9
269.04428	0.5
287.05478	100.0
288.05817	4.5
288.09042	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.0
51.89542	0.0
53.00299	0.1
53.03943	0.1
55.01865	0.2
58.44035	0.0
63.02391	0.0
65.03938	0.5
67.01861	0.4
67.05508	0.0
68.99786	2.6
69.03426	0.3
71.01353	0.1
71.30184	0.0
77.03916	0.0
79.01855	0.0
79.05492	0.7
79.05912	0.1
81.03407	0.5
81.07062	0.1
84.02055	0.0
85.02902	0.1
87.11608	0.0
91.05473	0.2
92.62756	0.0
93.03418	0.1
93.07027	0.1
94.04187	0.0
95.01327	0.1
95.04964	0.3
97.02892	0.1
103.05463	0.3
105.02691	0.1
105.03384	1.1
105.04523	0.1
105.07018	0.1
107.04951	1.5
107.08537	0.1
108.02053	0.0
109.02123	0.1
109.02869	1.1
111.00023	0.1
111.00798	1.8
111.04450	0.4
115.05451	0.3
117.07001	0.2
119.04943	0.3
121.02860	8.1
121.03910	0.4
121.06506	0.1
121.97943	0.0
122.03207	0.1
123.04452	0.1
125.02335	0.0
127.03900	0.3
127.05409	0.0
128.06229	0.2
129.03355	0.0
129.07013	0.5
131.04912	0.1
132.87505	0.0
133.02840	1.2
133.06429	0.1
135.04413	0.4
135.08063	0.1
136.01604	0.0
137.02330	2.7
138.02705	0.1
139.05426	0.1
141.06961	0.3
143.04930	0.1
144.05669	0.0
145.02823	0.1
145.06491	0.7
147.04401	1.7
147.08073	0.1
148.04788	0.0
149.02341	0.1
151.03908	0.1
153.01816	13.2
154.02173	0.2
155.04875	0.1
155.06030	0.1
155.07310	0.0
157.06468	1.7
158.06886	0.1
159.04478	0.0
160.05219	0.1
161.02220	0.1
161.05965	0.6
163.03905	0.1
165.01825	4.4
166.02452	0.2
167.04947	0.1
168.05710	0.1
169.06461	0.2
171.02950	0.1
171.04367	0.9
173.05994	0.1
175.03853	0.2
175.07565	0.1
177.05449	0.1
179.03313	0.1
183.02888	1.8
184.05182	0.1
185.05951	1.4
185.07610	0.1
187.03958	0.0
188.04659	0.0
189.05443	0.4
191.03351	0.1
193.01276	0.1
194.02119	0.1
195.04268	0.0
197.05956	0.4
199.03897	0.2
199.05667	0.0
200.04526	0.0
201.05536	0.2
203.03419	0.2
203.05321	0.0
203.07024	0.4
212.04640	0.1
213.05449	3.5
214.05852	0.2
215.07097	0.0
216.04182	0.2
217.04927	0.2
218.02242	0.1
218.05812	0.1
219.06464	0.1
223.03952	0.1
229.04927	0.5
230.05612	0.1
231.06494	1.4
232.03670	0.0
232.06770	0.0
234.38744	0.0
240.04167	0.1
241.04927	1.9
242.05611	0.2
243.06361	0.2
245.04456	0.1
257.04477	0.1
258.05225	2.7
259.05994	1.0
263.05447	0.1
269.04385	0.4
270.05115	0.1
285.03671	0.1
286.04642	0.1
286.27496	0.1
287.05463	100.0
288.05795	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	287.0548
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.00304	0.2
53.03933	0.3
55.01855	0.2
55.46161	0.2
65.03932	0.5
67.01861	0.3
68.99792	2.3
69.03429	0.2
79.05486	0.6
81.03414	0.4
95.04968	0.2
103.05490	0.3
105.03392	0.8
107.04955	1.5
109.02870	0.9
109.42046	0.2
111.00813	1.4
111.04434	0.5
115.05496	0.2
117.06972	0.2
119.91541	0.2
121.02869	6.9
121.03867	0.4
121.06483	0.2
124.72067	0.2
129.07039	0.3
133.02866	1.0
135.04404	0.5
137.02364	2.1
145.06465	0.6
147.04398	1.7
151.03816	0.2
153.01826	10.8
157.06451	1.5
161.05971	0.4
165.01845	3.6
171.04443	0.7
173.06017	0.2
175.03938	0.2
183.02899	1.6
185.05937	1.2
189.05573	0.3
197.05927	0.4
201.05569	0.2
203.07256	0.2
213.03426	0.2
213.05450	3.2
216.04298	0.2
229.04915	0.3
230.05453	0.2
231.06548	1.5
241.04912	1.8
243.06589	0.3
258.05237	2.4
259.06079	0.9
269.04327	0.4
287.05490	100.0
288.05814	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	287.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.4
63.01758	0.5
67.05508	1.0
68.05679	0.4
68.99780	0.4
69.07061	0.7
69.27731	0.8
69.28136	1.6
70.06576	1.0
71.04970	0.4
79.05473	1.2
81.03406	0.5
81.07063	0.7
82.02928	0.5
83.04951	0.5
85.02915	0.4
86.06065	0.9
91.05465	1.1
95.04954	0.6
99.07993	0.4
105.07030	0.4
107.08558	1.1
108.13906	0.4
109.10185	0.4
114.05479	0.4
115.05435	1.0
117.06981	0.9
118.06542	2.3
119.08608	0.5
121.02869	1.1
121.06541	0.4
121.10167	0.5
130.06512	0.6
132.34648	0.4
135.08022	2.0
137.02315	0.5
142.06500	1.3
143.07161	0.4
143.08293	0.4
144.08076	1.2
146.06010	5.8
153.00699	0.4
153.01833	1.7
154.06461	1.9
156.07938	0.4
159.09149	1.0
163.07443	0.5
165.01788	0.4
167.06033	0.8
167.07346	0.7
168.08046	1.7
169.07574	0.6
170.06017	2.3
174.08772	1.6
177.06877	0.5
178.06512	0.8
180.08073	6.7
181.07597	34.1
181.13213	0.6
182.08133	1.6
182.11720	0.4
183.09091	0.5
185.07095	1.0
188.07095	2.7
195.09172	38.5
196.07686	0.7
196.09488	1.8
197.10712	0.6
205.07613	0.6
206.06026	0.9
206.08359	0.4
207.06593	0.4
208.07629	2.2
223.08656	100.0
224.07063	0.8
224.08969	3.4
225.10194	1.7
227.13881	0.9
241.04640	0.4
241.09712	14.1
242.10132	0.7
251.08151	12.3
252.08475	0.8
255.29831	0.4
259.15067	0.4
260.90347	0.4
269.09216	22.4
270.09558	0.8
287.05615	12.0
287.10257	97.8
288.10602	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	287.1027
Annotation	Dichotomine C
Peak:m/z	Relative Intensity
63.01762	0.6
69.20571	0.3
70.17211	0.9
70.17575	0.6
79.05474	0.6
82.02910	0.7
83.04959	0.4
91.05460	0.7
93.07047	0.6
93.97868	0.4
103.23715	0.4
113.36591	0.4
117.06927	0.5
118.06577	2.5
119.02581	0.3
130.06560	0.8
142.06529	1.3
144.08075	1.6
146.06027	5.3
153.01717	0.5
154.06516	2.1
156.98888	0.4
159.09178	0.6
167.07355	0.7
168.08083	2.1
170.05977	1.6
174.08798	0.3
178.06531	1.0
180.08104	6.1
181.07605	32.8
182.08139	1.6
183.09131	0.5
188.07036	3.3
193.07491	0.4
195.09183	36.3
196.07704	0.7
196.09520	1.5
197.10727	0.8
206.06020	1.0
207.06618	0.4
208.07524	2.2
209.07104	0.8
222.07808	0.5
223.08669	95.7
224.06990	0.8
224.08978	3.8
225.10240	1.5
241.09737	14.2
242.10486	0.5
251.08176	13.0
252.08571	0.5
269.09235	22.4
270.09512	0.8
287.05814	4.2
287.10275	100.0
288.10648	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	287.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
67.86288	0.3
69.45722	1.7
69.46117	0.7
81.62111	0.3
101.00886	1.3
109.14244	0.4
113.00877	1.2
115.33982	0.4
115.71517	0.4
119.01919	1.2
127.02446	0.4
129.60930	0.3
131.01851	2.4
133.03442	0.7
137.00861	0.4
143.01932	1.1
145.03465	0.9
149.02985	0.3
155.01932	1.4
161.02937	0.8
161.06586	0.6
173.02998	0.9
173.06682	0.8
185.06584	1.9
197.06612	2.4
199.08218	0.5
199.24120	0.4
203.04054	0.6
209.06651	0.6
211.08173	0.4
215.07632	0.4
221.05016	3.5
227.07668	0.6
275.09811	0.8
287.11026	100.0
288.11444	3.4
305.10757	0.7
308.21359	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.11
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76007	0.4
63.92253	0.5
68.69003	0.5
69.74734	1.8
69.75135	1.0
83.20352	0.4
85.01358	0.5
86.75034	0.4
98.22703	0.6
101.00954	0.5
113.00880	0.7
115.02396	0.9
119.01907	0.9
131.01917	1.4
141.93889	0.5
143.01936	0.5
143.05496	0.7
145.03494	0.7
155.01875	1.1
155.05460	0.7
161.02977	0.8
173.03012	0.5
173.06599	0.7
178.33322	0.4
185.06606	2.0
197.06601	2.3
203.04065	0.7
203.07735	0.8
209.06592	0.6
215.07707	0.6
221.05040	2.5
223.71967	0.6
227.07669	0.6
239.07658	0.8
275.09830	0.7
275.42081	0.5
287.11026	100.0
288.11346	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.11
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95954	0.2
69.44278	1.3
69.44576	0.3
85.05383	0.2
98.22627	0.5
105.74521	0.2
131.01959	0.4
134.80315	0.2
144.36844	0.3
145.03464	0.3
152.74907	0.3
173.02884	0.3
185.06636	0.5
197.06662	0.4
221.05005	0.4
287.10989	100.0
288.11337	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1641
Annotation	Estrololactone
Peak:m/z	Relative Intensity
53.03926	0.8
55.01879	1.2
55.05502	2.5
56.96600	0.7
57.07076	4.2
58.06579	0.7
65.03958	0.7
67.05502	5.3
69.03432	12.3
69.07066	3.5
70.06592	3.5
71.08617	0.7
71.30781	1.0
79.05496	11.9
81.03385	0.8
81.07055	11.1
83.04964	2.0
83.05446	0.7
83.08597	1.2
85.02937	0.7
85.06541	1.3
88.07629	4.1
91.05484	5.7
93.02713	0.6
93.07040	16.8
95.04970	5.3
95.08602	5.3
97.06544	3.8
103.05487	1.2
105.04524	0.7
105.07033	18.3
106.08666	3.4
107.04929	1.4
107.08596	11.3
107.92110	0.7
109.02895	1.2
109.06506	9.1
109.10156	2.7
111.04440	10.0
111.08054	1.3
117.06998	2.0
119.04941	0.8
119.08572	9.3
121.02868	1.5
121.06515	2.9
121.10140	100.0
122.10483	2.3
123.04382	0.9
123.08073	3.9
123.11731	1.8
125.05992	24.6
125.09591	1.0
128.06190	0.7
129.05475	1.8
129.07018	2.1
131.08565	4.6
133.06602	1.5
133.07625	2.7
133.10133	5.6
135.04428	2.4
135.08032	1.9
135.11726	3.9
137.05977	17.1
137.09663	1.2
141.07024	0.8
142.07809	1.4
143.08560	3.5
145.06454	0.9
145.10101	4.4
147.08038	2.9
147.11658	2.4
149.05992	2.1
149.09624	2.6
151.07542	19.7
153.01778	1.7
155.08562	1.3
156.09348	1.5
157.10117	4.3
158.10960	0.9
159.08023	1.3
159.11664	5.1
161.09647	4.2
161.13266	2.2
163.07503	1.8
163.11195	0.9
165.09111	4.9
167.07048	10.3
169.10133	2.4
170.10968	1.1
171.08046	1.1
171.11708	3.4
172.12314	0.6
173.09624	1.0
173.13248	3.6
175.07549	2.4
175.11208	1.4
175.14859	0.8
177.06671	0.8
177.09134	1.5
179.07100	1.2
180.09319	1.0
183.11761	0.7
184.12454	1.3
185.09656	1.3
185.13249	4.2
186.14078	1.0
187.11201	3.5
187.14801	2.4
189.09126	1.6
191.10754	0.9
191.14397	0.9
193.08560	1.8
195.11655	1.2
197.09479	1.0
197.13326	0.9
199.11107	1.3
199.14783	2.4
201.09009	0.7
201.12758	2.3
203.10745	1.5
203.14355	6.4
207.10133	0.9
209.13161	0.8
211.11176	1.1
211.14850	1.5
213.05426	0.9
213.12775	2.2
213.16415	1.2
215.10664	1.4
217.15883	1.1
226.13448	0.9
227.14256	4.3
229.12292	0.9
229.15791	1.3
230.13010	1.6
231.13858	1.9
241.19496	1.3
244.14523	4.5
245.15361	51.0
246.15788	2.4
254.13023	0.9
259.16913	1.3
269.15497	5.6
269.18866	6.1
287.05502	17.2
287.10962	3.8
287.16415	67.8
287.20016	14.4
288.05826	1.0
288.16742	3.4
288.20023	1.3
288.28970	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	287.2006
Annotation	CHEBI:70569
Peak:m/z	Relative Intensity
51.09731	1.7
53.03953	3.6
55.01866	3.4
55.05506	14.6
57.02701	1.7
57.07069	14.5
58.06604	2.3
59.05007	3.9
65.03932	4.2
67.05508	19.3
69.03421	9.2
69.07055	15.1
70.06586	9.2
71.04997	4.5
71.08637	3.9
71.29175	1.9
75.49675	1.8
79.05484	20.8
81.07059	23.5
83.04983	5.4
83.08621	5.4
85.06542	3.8
87.04470	2.9
88.07629	14.8
91.05476	24.1
93.07047	28.5
95.04971	33.0
95.08611	24.8
97.06522	16.1
97.10149	2.1
97.10815	1.9
102.09200	2.7
103.05457	2.7
105.07036	40.6
106.08667	11.0
107.04961	4.1
107.08596	41.1
109.06538	11.6
109.10180	13.2
111.04469	10.3
111.08121	2.5
115.05455	4.0
116.21696	2.6
117.07034	14.2
119.08576	41.3
121.02867	6.7
121.06515	7.8
121.10145	100.0
122.10443	3.1
123.04345	2.3
123.08073	9.7
123.11733	2.3
125.05998	18.1
128.06238	6.5
129.07031	10.0
130.07840	3.0
131.08572	36.0
133.07603	2.9
133.10124	24.8
134.10942	2.8
135.08064	6.5
135.11707	8.9
137.05971	8.1
137.09605	3.7
141.06953	4.9
142.07771	8.1
143.08575	22.0
144.09315	7.4
145.06483	2.7
145.10136	30.4
147.08037	8.0
147.11685	12.7
149.05975	3.2
149.09605	8.6
149.13297	2.8
151.07558	15.1
153.01849	8.2
155.07523	2.1
155.08554	11.0
156.09357	12.1
157.10126	30.4
158.10944	12.8
159.07974	2.5
159.11681	31.4
160.12167	2.2
161.06076	2.5
161.09598	10.3
161.13274	6.9
163.07573	1.9
163.11209	3.4
164.11485	2.3
165.01886	3.8
165.07028	4.0
165.09152	5.3
166.07794	2.6
166.85310	1.9
167.07074	8.4
167.08495	4.5
168.09355	2.2
169.10121	10.7
170.10883	12.1
171.08023	4.6
171.11694	24.4
172.08830	2.7
172.12383	5.0
173.09586	6.0
173.13257	34.4
175.11195	8.1
175.14830	5.3
177.12700	2.2
179.08618	3.2
180.09412	5.3
181.10091	4.4
182.10982	3.1
183.11723	8.6
185.09662	2.2
185.13254	25.7
186.14034	7.0
187.11163	12.0
187.14789	12.5
189.09056	2.8
189.12753	9.4
191.07022	2.5
191.14241	3.9
195.11691	7.6
196.12323	2.4
197.13293	4.8
198.10425	4.5
199.11172	6.6
199.14832	9.4
201.12753	3.3
203.14319	12.1
207.11784	2.6
209.13248	5.1
211.14798	7.6
212.11916	2.1
213.05551	3.6
213.12708	25.7
213.16270	3.5
225.16412	3.9
227.14268	10.3
227.17909	2.7
229.12308	2.2
229.15868	8.8
231.13754	13.1
236.15645	3.2
241.19542	9.3
244.14517	2.6
245.15358	34.3
251.18111	2.5
269.15820	3.5
269.18979	47.3
287.05539	61.2
287.10889	3.8
287.16440	42.9
287.20044	90.8
288.05948	4.9
288.16766	3.0
288.20224	4.4
288.28940	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2004
Annotation	(2E,4E,8E,10E)-Heptadecatetraen-6-yn-1-yn acetate
Peak:m/z	Relative Intensity
55.05507	7.4
56.28402	1.9
57.07063	2.0
59.05009	1.9
60.46122	1.5
67.05519	13.4
67.09182	1.3
69.06226	1.7
69.06542	12.2
69.07066	44.4
70.07424	1.7
71.04980	5.3
79.05493	6.7
81.07062	13.1
83.08611	5.0
87.04469	2.2
91.05464	8.7
93.07050	9.3
95.04972	5.2
95.08610	17.5
97.06517	4.7
99.04443	4.8
105.07026	20.1
107.08591	14.9
109.06518	3.0
109.10152	23.4
111.04446	6.9
111.08096	6.7
113.06028	9.0
115.05466	1.4
117.07011	5.7
119.08582	33.1
121.06565	2.0
121.10148	10.8
123.08068	2.5
123.11693	15.6
125.05973	2.2
128.06195	1.9
129.07040	3.5
131.08551	11.7
133.10138	24.0
135.08086	3.1
135.11690	7.9
135.77730	1.5
142.07751	2.2
143.08521	7.7
145.10121	23.7
147.08070	3.9
147.11691	12.5
149.09665	3.0
149.13359	1.8
153.09164	2.8
155.08546	1.7
156.09361	4.1
157.10147	11.8
159.11697	18.3
160.12476	2.9
160.13837	1.4
161.09631	3.6
161.13269	25.0
163.11194	5.6
165.09135	1.9
169.10139	1.9
170.10869	1.9
171.11707	10.4
173.09636	4.8
173.13263	9.6
175.11151	4.3
175.14838	26.9
175.16226	2.8
176.15446	2.8
177.06905	3.0
177.12703	2.6
183.11674	2.8
185.13286	6.8
187.11192	6.4
187.14920	3.5
188.15675	1.9
189.12781	3.4
189.16368	9.3
191.10701	4.6
199.11206	2.9
199.14830	2.7
201.16382	17.3
203.10745	2.5
205.12271	4.1
211.14815	4.2
213.12700	4.4
213.16368	2.1
217.12254	3.8
225.16411	3.1
227.17932	5.5
229.15955	2.8
231.13834	9.8
241.19542	4.8
245.19000	4.5
245.37192	1.6
259.20667	2.6
269.18936	13.4
287.05383	8.6
287.20065	100.0
288.20428	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.01865	0.4
55.05511	2.2
57.03443	0.3
57.07058	0.4
65.03930	0.8
67.01878	0.6
67.05507	8.7
68.99787	2.5
69.03448	0.5
69.07081	3.1
71.04989	1.7
71.28590	0.3
79.05495	4.9
80.96887	0.2
81.03404	0.8
81.07055	9.5
82.29639	0.2
83.04958	0.3
83.08604	1.8
85.01116	0.9
85.06527	1.2
90.76698	0.2
91.05476	2.6
93.07040	4.3
95.04974	0.8
95.08606	10.9
96.08947	0.3
97.01105	0.3
97.02885	0.3
97.06528	1.3
97.10165	1.0
99.08056	0.3
103.05464	0.3
105.03396	1.2
105.07038	2.3
107.04949	1.3
107.08598	3.4
109.02881	0.7
109.06485	0.5
109.10157	6.7
111.00852	1.3
111.02670	5.2
111.04407	0.3
111.08089	0.4
111.11717	0.5
115.05397	0.3
117.07014	0.7
119.04934	0.3
119.08566	1.8
121.02871	6.9
121.03848	0.6
121.06509	0.5
121.10145	4.0
122.03201	0.2
123.08054	0.4
123.11703	1.8
123.14641	0.2
125.06013	0.3
125.09680	0.3
129.03690	0.9
129.07010	0.8
130.06598	0.3
131.08557	1.4
133.02837	0.7
133.10136	2.1
135.04462	0.3
135.08051	0.7
135.11681	3.3
137.02345	2.4
137.04172	0.2
137.09628	0.7
137.13278	0.5
139.05525	0.2
139.07491	0.5
141.06990	0.2
145.06474	0.6
145.10143	1.0
147.04436	1.4
147.11705	0.8
149.09612	0.6
149.13237	1.0
151.11201	0.6
153.01826	11.7
153.09071	0.5
154.02141	0.5
155.08582	0.2
157.06445	1.7
157.10104	0.3
159.11646	0.9
161.06088	0.3
161.13226	0.3
163.03864	0.3
163.11166	0.4
165.01839	3.5
167.10677	0.3
169.06438	0.4
171.04480	1.1
171.09116	0.6
171.11685	0.3
173.13298	0.7
175.11235	0.3
177.12794	0.3
183.02896	1.8
185.05980	0.9
187.11150	0.3
189.05455	0.4
189.16374	0.4
191.07071	0.6
191.17978	2.5
195.13882	0.2
199.08698	1.1
200.09496	1.2
201.05501	0.3
203.07014	0.4
209.19025	1.6
213.05457	3.5
213.10144	0.8
214.05858	0.3
215.11835	0.4
215.17950	1.7
219.86499	0.3
225.22116	0.4
227.08147	0.8
228.08990	1.1
229.04851	0.4
231.06570	1.0
231.11333	0.4
233.19060	0.9
240.04182	0.3
241.04927	1.5
241.09644	0.4
242.05742	0.3
243.11342	0.3
245.04369	0.3
245.09389	0.3
251.11005	0.2
251.20036	1.7
258.05234	2.7
259.06097	0.6
259.10742	1.0
269.09222	0.3
269.12436	0.7
269.21066	0.9
287.05490	100.0
287.10413	6.4
287.13095	2.0
288.05826	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	289.0918
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03947	11.7
55.01870	2.9
57.03429	4.2
57.97082	1.0
61.02941	1.5
65.03923	1.1
69.03442	12.2
70.05578	1.0
70.06574	2.0
70.80640	0.9
71.01361	3.3
71.04707	0.9
71.05000	10.0
71.27799	1.0
73.02921	1.6
79.05496	2.1
81.03416	22.7
83.04982	3.1
84.08135	1.6
85.02905	14.3
87.04469	1.6
91.05463	1.3
92.94403	1.2
95.04971	2.7
97.02897	13.7
98.19665	1.1
99.04462	19.6
99.56644	1.1
107.04933	1.2
109.02882	29.0
110.05997	1.7
111.04446	3.3
115.03910	2.1
117.05436	1.4
119.01895	1.5
123.04443	2.7
125.02316	1.9
127.03919	100.0
127.08624	1.7
130.06497	1.4
133.03459	1.4
137.06004	1.1
145.04945	2.5
151.03941	2.1
163.03827	1.1
165.05402	1.3
169.05052	1.2
173.03006	1.5
181.04977	1.2
188.27696	1.2
193.04907	1.7
199.06027	3.4
223.06084	3.7
227.87804	1.2
253.07077	3.1
288.92715	1.5
289.08932	8.8
289.11780	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0917
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03931	0.9
55.01866	0.6
56.96576	0.6
57.03429	0.7
61.02926	0.7
69.03431	2.8
70.14868	0.4
70.15217	1.6
71.05003	1.0
72.56860	0.4
79.05479	0.7
81.03414	2.0
81.10273	0.6
85.02908	4.5
86.97533	0.5
87.44312	0.4
97.02869	2.4
98.97578	0.6
99.04446	0.8
109.02878	1.9
113.02388	0.6
116.98640	0.5
123.76001	0.5
127.03914	100.0
128.04242	1.6
130.06519	0.8
145.04977	0.9
157.07666	1.0
158.05984	0.5
173.60188	0.5
203.08028	0.6
219.52403	0.5
289.12564	61.0
290.13004	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	0.8
69.91247	1.5
69.91615	0.8
71.27673	0.4
74.68297	0.4
81.03409	0.6
85.02920	0.8
97.02886	0.6
111.05560	0.7
127.03915	17.7
141.06593	0.4
157.07617	0.6
227.79166	0.5
235.20529	0.5
271.16464	0.6
289.12570	100.0
290.12872	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00026	2.0
53.03949	5.3
55.01871	6.1
55.05521	9.5
57.03438	27.0
59.05017	1.7
61.02929	11.4
65.03970	3.0
67.05510	17.0
69.03431	82.0
69.07075	27.6
69.58567	4.1
69.58975	5.6
71.05011	11.2
71.27126	1.7
72.02987	1.9
73.02917	4.2
79.05495	8.3
81.03423	25.8
81.07068	22.6
83.04998	7.9
83.08623	3.6
85.02908	100.0
85.06526	11.2
87.04492	4.2
91.03971	2.3
91.05481	9.9
93.07045	16.6
95.04969	21.3
95.08630	8.0
96.08106	1.8
96.27222	1.8
97.02898	39.1
97.06515	11.2
99.04456	22.0
99.08080	2.7
101.02386	2.3
103.03920	4.0
104.26288	1.8
105.07029	11.4
107.04965	8.0
107.08607	10.4
109.02927	11.3
109.06538	20.9
109.10138	12.1
110.09693	2.5
111.04456	4.5
111.08086	3.8
113.05968	2.1
113.09641	3.0
115.03990	2.4
117.06991	3.2
119.04948	2.7
119.08595	6.2
121.02937	2.5
121.06503	8.6
121.10150	6.6
123.04448	2.1
123.08074	5.3
123.11736	2.9
125.09615	10.7
127.03928	23.8
127.07638	1.6
127.11181	23.0
128.60234	1.7
130.06506	1.9
131.08582	8.0
133.06525	2.6
133.10155	5.9
133.32359	1.6
135.08076	6.3
137.06000	3.8
137.09636	5.7
138.09126	11.8
139.07596	3.4
139.11191	6.4
143.08554	2.5
145.04953	13.7
145.10127	4.2
147.08092	5.0
147.11714	3.2
149.02351	5.8
149.09647	12.9
151.07538	2.2
151.11203	12.8
153.01819	2.4
155.10678	6.9
157.10100	4.3
159.08040	4.7
159.11780	2.8
161.09586	4.3
163.07536	1.9
163.11174	3.6
167.10715	8.1
169.12303	3.3
171.11696	2.6
173.09648	5.4
175.11232	4.9
177.09181	2.7
177.29439	2.0
189.12729	3.2
193.12279	5.2
199.11212	1.8
205.12270	4.7
211.13322	3.8
215.07004	7.0
217.12254	3.7
226.27835	2.1
231.13834	3.2
235.13315	6.6
243.06596	6.8
253.14359	5.5
264.30124	1.7
271.06036	3.1
271.10880	2.5
271.14661	2.4
273.10495	1.6
289.06076	3.3
289.11838	8.3
289.16208	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1796
Annotation	Dicranenone A
Peak:m/z	Relative Intensity
51.02382	1.3
53.03935	4.4
55.01875	8.7
55.05510	29.8
57.03437	34.2
57.07075	2.5
59.05014	4.8
62.70217	0.9
65.03931	3.5
67.05503	36.1
69.03414	3.4
69.07063	10.2
69.67490	2.2
69.67903	2.8
71.04992	2.0
79.05494	37.1
81.03416	4.9
81.07059	35.4
82.07371	0.9
83.04979	52.7
83.08619	7.3
85.06537	9.3
91.05480	52.8
92.05798	1.2
93.03369	1.8
93.07040	31.8
93.34599	0.9
94.07402	1.0
95.04964	12.4
95.08601	23.3
97.06535	6.4
97.10139	2.9
99.04452	10.8
103.05468	3.3
105.03382	1.4
105.04511	1.5
105.07025	43.2
107.04954	30.6
107.08583	15.6
108.05801	1.4
109.06520	21.0
109.10171	8.8
111.04433	17.2
111.08070	3.6
113.05976	3.2
115.05447	4.1
116.06290	1.7
117.07017	21.2
119.08575	28.9
120.79202	1.1
120.98327	1.0
121.06501	9.7
121.10149	10.7
123.04416	3.2
123.08075	5.8
123.11684	2.4
125.05994	9.8
125.09597	2.2
127.03929	1.6
127.07559	1.1
128.06213	6.2
129.06998	12.7
131.04912	2.6
131.08565	24.6
132.05742	1.1
133.06496	15.4
133.10127	19.2
134.90282	1.0
135.04338	1.1
135.08055	15.4
135.11685	7.4
137.05957	6.1
137.09631	3.5
139.07520	1.3
139.11092	1.0
141.06981	6.1
142.07733	2.6
143.08542	8.8
145.06476	8.0
145.10132	14.5
146.07281	1.8
147.08046	14.3
147.11694	8.1
149.05989	7.2
149.09608	5.7
149.13251	2.5
151.07529	6.4
151.11154	3.1
155.08597	7.6
157.10135	8.1
159.08069	16.7
159.11681	13.6
160.08868	2.4
161.09622	17.6
161.13289	3.7
163.07526	3.4
163.11139	6.6
165.09113	2.2
167.08553	1.1
169.10114	6.6
171.08154	1.3
171.11667	7.7
173.09637	7.9
173.13248	8.1
175.07539	1.8
175.11200	5.3
175.14774	1.2
177.09091	4.6
177.12730	14.1
178.13496	2.8
178.79959	1.0
181.10150	1.8
183.11649	5.2
185.09666	1.6
185.13287	1.7
187.11186	5.5
187.14793	5.6
189.12732	3.9
189.16397	1.6
191.10664	2.4
191.14413	1.2
197.09666	1.3
197.13321	4.9
199.11208	2.0
201.12743	2.4
201.16373	1.6
205.12198	1.9
205.15849	8.6
209.13286	2.2
211.14769	1.5
215.14319	8.1
215.17938	2.9
217.12227	2.9
219.11751	1.5
225.16406	3.7
229.16049	1.1
233.13116	1.9
233.15353	24.6
235.14859	1.4
239.17905	1.3
243.17403	9.6
253.15923	4.0
257.18890	2.3
259.14902	1.7
261.18497	23.9
271.16922	19.4
289.17972	100.0
289.21542	10.7
289.25079	2.9
290.18137	6.4
314.02328	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1798
Annotation	15alpha-Hydroxyestradiol
Peak:m/z	Relative Intensity
51.04882	2.3
53.21457	2.6
54.00543	2.7
55.01871	10.0
55.05516	62.1
57.03431	5.2
57.07071	4.9
58.07411	3.6
59.04996	10.2
65.03961	3.1
67.05508	36.0
69.03415	5.0
69.07069	22.2
69.11523	12.8
69.11932	6.3
70.06595	15.2
71.04977	3.4
71.06915	4.0
71.08615	3.7
77.54286	2.3
78.66085	2.1
79.05498	39.3
81.03409	2.8
81.07055	34.0
82.80109	2.6
83.04993	5.6
83.08620	23.8
85.06548	17.3
88.07637	52.9
89.07966	10.7
91.05486	40.1
93.07053	25.6
95.04987	5.7
95.08627	16.1
97.10175	22.7
105.07027	23.9
106.08670	62.8
107.04961	4.4
107.08574	20.1
107.09110	9.0
109.06510	9.5
109.10172	13.7
111.08097	3.9
115.05445	18.1
117.07029	73.3
119.08578	30.0
121.06490	9.6
121.10163	7.6
125.09637	24.1
128.06163	3.2
129.07022	7.2
131.08548	17.7
133.06413	4.1
133.10159	9.5
135.08076	14.6
137.09570	2.8
142.07805	4.5
143.08598	13.7
145.06491	88.7
145.10143	18.0
147.08093	8.1
147.11714	7.9
153.09064	3.1
155.08572	5.9
157.10109	18.4
159.08093	10.1
159.11711	8.5
161.09610	4.6
163.11212	4.5
169.10120	9.7
171.11725	5.3
173.11900	3.0
173.13292	8.0
177.12801	3.4
183.11682	10.5
183.37883	2.4
185.09624	4.2
185.13243	3.2
187.14836	3.8
189.11252	7.8
191.14333	4.8
197.13268	5.9
201.12668	3.5
215.14232	2.9
216.93929	2.5
225.16440	9.7
228.20448	16.6
231.11761	3.0
235.14801	4.4
243.17447	9.5
253.15897	9.8
257.18988	5.2
271.16940	100.0
271.20016	6.1
272.17352	3.8
289.18048	31.8
289.21658	36.0
289.25632	14.0
289.29279	13.1
290.26901	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	289.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
53.78804	1.1
55.05515	13.3
56.85729	1.2
57.07076	100.0
58.07405	1.8
59.04995	7.1
67.05510	10.7
69.07070	7.8
71.04995	1.3
71.29057	1.9
72.04156	1.8
72.04518	20.9
73.06553	1.3
79.05495	11.6
80.74323	1.2
81.07053	14.4
83.05009	1.7
83.08617	3.3
85.06542	10.2
91.05481	28.0
93.07031	12.6
95.04974	2.5
95.08611	12.1
97.06559	1.4
97.10126	1.8
100.07619	50.9
103.05471	1.3
105.07035	42.0
107.08587	8.1
109.06531	1.5
109.10157	3.8
111.08055	1.4
113.67616	1.2
116.05273	1.4
117.07001	7.6
118.07793	1.8
119.08582	29.0
121.06501	2.7
121.10154	4.9
123.11770	1.3
125.09653	2.5
127.03934	2.2
129.07034	1.5
130.07765	1.2
131.08568	12.1
133.10138	26.8
133.11073	2.2
135.08046	3.0
135.11635	1.8
141.07011	2.4
143.08527	3.1
145.10129	12.5
147.11678	17.0
149.09639	3.1
151.11153	3.3
155.08524	2.0
156.13840	58.7
157.10059	5.4
159.08105	1.7
159.11685	8.6
161.09631	2.6
161.13240	5.9
163.11218	1.8
169.10146	3.2
171.11716	4.5
173.13292	8.0
175.11278	1.3
183.11708	5.7
187.11180	1.9
189.12680	1.3
191.14545	1.4
197.13255	2.5
211.14751	1.5
215.14189	1.7
215.17920	1.6
229.15915	1.2
232.42711	1.1
239.17952	4.3
257.18973	7.2
289.18362	4.6
289.21661	51.5
290.22150	2.0
306.01605	1.1
311.13858	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2162
Annotation	Gibberosin M
Peak:m/z	Relative Intensity
52.35412	2.4
53.03946	3.4
55.05320	2.0
55.05510	22.4
57.03427	3.3
57.07079	15.0
59.04984	9.5
67.05503	20.1
69.03431	4.0
69.07067	43.3
69.57702	14.2
71.08624	6.7
78.49043	2.5
79.05486	13.6
80.05798	2.5
81.07056	34.4
81.34534	2.2
83.04985	20.6
83.08620	7.8
85.06546	15.2
85.10184	4.9
91.05479	100.0
93.07044	31.0
95.04963	11.0
95.08613	43.9
97.06524	10.3
101.06002	6.7
105.07028	31.6
107.08595	24.1
109.06535	5.6
109.10159	27.4
115.07593	3.2
117.07024	11.2
119.08590	60.9
120.53874	2.3
121.06477	3.2
121.10141	16.5
123.08064	4.6
123.11699	28.8
125.09627	8.7
127.03841	3.1
129.07002	6.8
131.08554	23.6
133.10127	32.5
135.08012	4.1
135.11719	6.6
141.06984	3.3
142.07779	4.3
143.08551	15.3
145.10144	32.8
147.08084	5.4
147.11684	20.5
149.09616	8.2
151.11189	6.9
155.08638	3.8
156.09372	4.1
157.10124	21.3
158.10881	3.5
159.08028	2.6
159.11667	32.2
161.09593	5.9
161.13277	29.1
163.11182	3.7
165.09175	4.6
169.10112	4.1
171.11665	14.6
171.61664	2.2
173.13246	25.0
175.11189	4.9
175.14809	49.0
183.11694	9.1
185.13188	6.1
187.11168	4.0
187.14806	7.7
189.12764	5.8
189.16417	6.4
197.13307	6.8
198.89914	2.5
198.91701	3.2
199.14853	5.8
201.12813	6.8
201.16420	17.3
213.16380	9.8
215.14319	4.9
215.17950	15.8
227.17998	8.3
233.15474	3.2
239.17801	3.1
243.21095	17.7
245.18999	5.7
253.19542	4.7
271.17816	3.5
271.20581	18.7
289.18301	7.4
289.21643	99.7
290.21881	4.9
290.24677	27.5
290.27231	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.216
Annotation	17beta-Hydroxy-2alpha-methylestr-4-en-3-one
Peak:m/z	Relative Intensity
51.36953	0.7
53.03939	2.3
54.88375	0.8
55.01865	2.5
55.05514	34.1
55.80828	0.8
57.03412	1.2
57.07061	3.6
59.04996	2.9
61.74824	0.9
65.03944	1.7
67.05505	17.2
69.03432	4.9
69.07066	15.1
71.04985	2.4
71.08633	2.3
73.06538	0.9
77.03938	0.8
79.05494	25.4
81.07059	27.1
83.04970	3.2
83.08616	6.1
85.06533	5.4
91.05481	30.5
93.07041	32.0
95.04955	4.4
95.08608	19.9
97.06517	2.2
97.10174	5.1
98.23360	1.8
99.08092	1.5
105.07032	45.7
106.60289	0.8
107.04932	2.5
107.05639	0.8
107.08598	28.5
109.06525	9.9
109.10152	6.4
111.08091	1.1
115.05417	1.0
117.07021	10.5
119.08583	40.8
121.06506	29.9
121.10151	9.7
123.08041	5.3
123.11714	2.1
125.09674	2.3
129.06989	2.8
130.07771	0.9
131.08565	16.6
133.06476	2.0
133.10132	17.3
135.08061	19.2
135.11685	5.3
137.09610	2.1
137.13248	1.1
141.06989	1.9
142.07829	0.8
143.08546	3.7
144.09369	1.8
145.10127	15.8
147.08104	4.2
147.11699	13.0
149.09579	5.2
149.13286	4.9
151.07608	1.0
151.11192	1.4
155.08585	2.3
157.10172	4.4
159.08060	2.6
159.11702	10.7
161.09637	2.4
161.13242	13.5
163.11177	11.1
163.14821	2.1
165.12753	5.1
169.10120	2.6
171.11685	3.3
173.09587	1.9
173.13245	7.5
175.11230	1.9
175.14790	5.8
177.12750	26.0
178.13051	0.9
178.34090	0.9
183.11682	5.9
185.13272	2.6
187.11189	1.5
187.14833	5.5
189.12762	2.9
189.16359	3.2
191.14265	4.4
197.13260	4.4
201.12752	3.0
201.16473	1.6
203.14243	1.4
203.17862	1.0
205.15843	2.1
211.14853	1.8
213.16367	1.0
215.14296	2.3
215.17853	1.3
219.13721	1.1
229.15771	1.2
233.02621	0.9
233.15395	3.3
233.22592	1.8
239.18172	1.2
243.21053	3.8
247.16942	2.6
253.19597	2.4
257.18982	2.3
261.22141	25.3
262.22482	1.9
271.17499	1.2
271.20535	8.6
289.21603	100.0
290.22086	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	289.2161
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
51.02367	1.0
52.87410	0.7
53.03936	2.2
53.63374	0.9
55.01865	1.6
55.05513	18.6
56.66505	0.8
57.07063	1.4
59.05001	8.3
65.03925	1.5
67.05505	18.5
69.07068	14.2
71.04974	1.1
73.06536	2.5
79.05492	18.8
81.07050	23.1
83.04959	2.6
83.08622	6.9
85.06537	12.0
87.08080	1.1
90.70423	0.8
91.05482	45.7
93.07037	21.5
95.04955	3.6
95.08600	17.3
97.06526	2.3
97.10143	2.0
99.08088	2.9
101.06054	1.0
103.05440	2.9
105.03393	3.8
105.07027	61.8
106.07356	1.1
107.08600	13.1
109.06548	1.3
109.10165	6.0
111.08083	1.6
115.05424	2.2
117.07004	13.1
119.08577	51.3
120.08897	1.0
121.06472	1.7
121.10134	8.9
123.08078	0.8
123.11647	1.0
125.09615	3.5
128.06235	1.4
129.07030	3.8
131.08566	20.8
133.10123	33.6
135.08043	2.1
135.11699	4.7
141.06903	1.7
142.07762	1.8
143.08554	6.0
145.10118	19.4
146.10818	0.7
147.08058	1.2
147.11679	27.5
148.12010	1.0
149.09613	3.3
149.13197	1.4
151.11174	2.1
155.08557	3.5
157.10115	8.8
158.10899	1.0
159.11684	19.3
160.12206	1.2
161.09573	2.0
161.13252	12.2
163.11177	1.8
168.09261	0.9
169.10097	4.5
171.11690	5.9
173.09669	1.8
173.13257	15.5
175.11176	2.9
175.14799	2.4
177.12675	0.8
183.11661	7.2
185.13249	1.7
187.11197	2.8
187.14809	1.5
189.12714	1.8
189.16307	0.9
191.14211	1.1
197.13254	5.2
199.14807	1.4
201.12741	3.2
209.13106	1.3
211.14769	2.3
213.16345	1.7
215.14299	1.4
215.17953	3.0
216.08067	9.7
219.13776	0.9
229.15829	1.3
229.19534	2.0
233.15309	1.3
234.09137	1.4
239.17941	9.6
244.07623	4.6
246.09123	1.3
246.14006	1.0
247.16953	1.2
257.18979	13.6
259.14703	1.0
262.08606	2.2
271.17035	0.9
271.20505	1.4
272.07056	8.2
289.21606	100.0
289.24884	3.5
290.08096	67.3
290.21863	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2162
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
51.01049	0.8
53.03946	1.9
55.01876	1.7
55.05511	17.9
57.07066	1.6
59.04999	8.8
65.03921	1.2
66.94301	0.8
67.05505	18.2
69.07072	13.4
69.13163	7.2
71.43869	0.8
72.66776	0.9
73.06550	2.2
77.86192	0.8
79.05487	18.9
81.07060	20.0
83.04974	1.6
83.08624	5.6
85.06542	11.8
89.29834	0.9
91.05482	44.6
93.07043	18.8
95.04974	2.5
95.08609	14.2
97.06520	1.5
98.22626	1.8
99.08077	2.9
103.05459	2.1
105.07031	67.3
106.07376	1.4
107.08595	14.3
109.06506	1.7
109.10149	6.7
111.08086	2.6
115.05448	1.4
115.07526	0.9
117.07018	14.0
119.08582	47.0
121.06533	1.4
121.10143	7.2
123.11712	1.5
125.09633	2.9
129.06989	3.9
130.07777	1.5
130.28088	0.9
131.07579	1.1
131.08566	23.4
133.10127	43.7
134.10455	1.4
135.08057	2.4
135.11646	2.2
137.09610	2.1
141.06970	2.9
142.07761	1.5
143.08583	4.3
145.10120	18.7
147.08066	1.7
147.11693	24.5
148.11983	1.3
149.09554	2.0
149.13266	1.2
151.11185	1.9
155.08560	3.1
157.10141	6.7
159.11688	16.8
161.09631	1.3
161.13261	10.8
163.11169	1.9
168.09352	1.4
169.10107	4.1
171.11667	7.3
173.09589	1.4
173.13249	16.1
175.11220	2.5
175.14847	2.6
177.12682	1.3
183.11720	7.2
185.13300	1.8
187.11241	2.4
187.14781	1.7
197.13214	4.5
199.14828	1.4
201.12758	2.7
211.14761	1.5
213.16374	2.4
215.17934	3.3
228.68848	1.0
229.15942	1.9
229.19516	2.8
239.17949	9.7
257.18970	10.7
258.19568	1.4
271.20410	1.3
289.18433	3.8
289.21613	100.0
290.21954	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2161
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
50.70987	2.5
55.05514	35.8
57.07080	5.6
59.04712	5.2
59.05001	69.0
65.42417	2.5
67.05507	15.9
69.03739	13.7
69.04155	9.0
69.07072	12.5
79.05492	8.8
81.07066	15.1
83.04978	3.2
83.08595	5.0
85.06543	100.0
91.05482	20.6
93.07045	28.9
95.04977	5.1
95.08611	29.3
98.22543	4.6
98.91779	2.7
99.08095	21.3
100.01733	3.0
105.07030	17.9
107.08585	16.0
107.50154	3.1
109.06512	3.6
109.10164	7.1
111.08088	3.8
111.89627	2.6
117.07016	6.2
119.08586	24.1
121.06502	3.1
121.10176	7.6
123.08051	3.0
125.09641	26.3
128.06160	3.0
129.07011	8.6
131.08574	26.1
133.10112	18.9
135.08115	5.4
135.11655	3.3
137.09660	3.9
139.11172	4.1
141.06923	4.4
142.07814	10.7
143.08574	16.1
144.09312	5.0
145.10129	17.6
147.11696	9.3
149.09579	4.9
151.11163	14.6
155.08569	7.5
156.09348	5.3
157.10114	33.6
158.10925	10.4
159.08105	3.4
159.11694	21.5
168.09431	7.8
169.10165	11.5
171.11681	13.6
173.13261	44.7
175.11195	4.3
177.12741	3.8
181.10091	3.7
182.10957	4.7
183.11711	33.1
184.12437	5.6
185.13245	5.0
195.11673	3.8
196.12529	3.3
197.13206	17.6
198.13927	3.6
199.14833	9.7
200.93724	2.9
201.12715	9.2
209.13280	8.0
210.14088	4.7
211.14900	4.0
213.16386	6.6
215.14374	5.6
217.15994	10.1
217.17917	2.7
224.15588	4.2
230.16772	3.0
231.17499	4.6
233.15381	6.3
239.18022	16.8
241.15898	4.6
257.19022	11.1
259.17035	4.9
271.20615	13.1
289.21667	91.3
290.22000	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	291.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10711	6.9
53.03943	8.8
55.73259	7.2
56.96556	48.2
60.57320	7.5
69.03421	20.3
69.07074	9.1
69.43719	13.3
69.44118	22.9
81.03432	17.6
83.04987	8.3
83.66267	7.9
84.95986	10.7
85.02906	17.4
97.02885	16.5
98.22669	8.8
98.97594	64.4
111.04409	10.8
112.02187	8.5
116.98616	22.8
127.03871	15.1
128.98573	13.6
129.09175	9.1
134.99724	11.0
143.00180	19.2
147.04408	25.5
158.99704	11.3
161.01277	19.7
161.04683	10.9
237.02829	16.2
290.94766	11.5
291.08276	52.2
291.13150	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	291.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98172	0.2
51.02386	0.2
51.18011	0.2
53.03946	0.9
54.95133	0.2
55.01872	0.4
55.05498	0.9
55.06968	0.2
57.03429	0.3
58.07775	0.1
61.64592	0.2
65.03947	0.8
67.05500	0.5
68.73164	0.2
69.03430	9.4
69.07067	0.4
70.06587	0.4
71.04990	1.6
71.28210	0.3
75.57509	0.2
79.05494	0.8
81.03416	10.7
81.07047	0.8
83.01328	0.4
83.04990	0.5
83.08624	0.7
85.02886	0.3
85.06551	0.4
91.05479	10.6
92.05804	0.3
93.07045	0.8
94.02918	0.2
95.04973	0.7
95.08600	1.0
97.02888	5.4
97.06522	0.3
99.04445	1.4
100.91506	0.2
103.05456	0.2
105.07019	1.2
107.04960	0.8
107.08582	1.2
109.02847	1.1
109.06541	0.5
109.10168	0.4
111.08065	0.5
114.05509	0.3
115.05448	0.3
117.07028	0.4
118.06544	0.5
119.04941	26.8
119.08575	1.5
120.05287	0.5
121.06485	0.4
121.09278	0.2
121.10144	0.7
123.04451	0.2
123.08082	0.5
125.09611	0.4
127.03915	3.1
129.07043	0.3
130.06522	2.5
131.08571	0.6
132.08081	1.1
133.10152	0.8
135.08067	0.6
137.09650	0.3
139.07484	0.3
141.07016	0.2
142.06532	0.3
143.08530	0.3
144.08115	0.2
145.10115	0.7
146.06015	0.5
147.04404	100.0
147.11684	0.6
148.04730	2.6
149.09648	0.5
151.07536	0.2
153.09167	0.3
155.10648	0.2
157.10118	0.5
158.08446	0.2
159.08023	0.3
159.09196	2.2
159.11662	0.5
160.07581	0.2
161.09608	0.4
163.11217	0.3
165.05481	0.8
170.06003	0.9
171.08139	0.3
171.11716	0.4
173.13277	0.5
175.11174	0.3
183.79648	0.2
184.07607	0.4
185.07095	1.4
185.13272	0.2
188.07106	1.1
189.12747	0.4
189.16382	0.2
191.14360	0.2
193.12379	0.2
200.07103	0.4
201.05460	0.2
201.10262	0.4
202.13322	0.2
207.13861	0.3
217.12279	0.3
227.08134	1.2
233.15373	0.8
245.09209	1.6
255.17566	0.2
273.18448	0.7
291.08609	20.2
291.13684	0.8
291.19501	2.4
292.08978	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.2
55.01874	0.4
55.05521	0.3
56.96566	2.0
57.03436	0.3
59.77169	0.2
62.92584	0.2
65.03949	0.7
67.05508	0.3
69.03435	9.8
69.07082	0.4
69.20464	0.9
69.20887	0.9
70.03740	0.2
71.04995	0.9
74.97610	0.3
79.05482	0.4
81.03423	11.1
82.03784	0.2
83.01360	0.7
85.02895	0.3
91.05487	11.4
92.05795	0.3
93.07056	0.6
95.08627	0.4
97.02897	7.7
98.06059	0.7
99.04466	0.8
105.07069	0.3
107.04969	0.3
109.02906	1.1
111.04439	0.2
111.08096	0.2
115.05444	0.5
117.07038	0.4
118.06561	1.4
119.04949	27.4
119.08601	0.7
120.05286	0.9
120.08121	0.5
121.10162	0.3
123.08078	0.3
127.03922	3.2
130.06534	8.8
131.08540	0.3
132.08090	3.0
133.10190	0.3
135.08081	0.3
142.06529	0.9
142.85199	0.2
143.07243	0.2
144.08025	0.5
146.06044	1.8
147.04414	100.0
148.04747	2.8
156.08070	0.5
157.07637	0.6
158.06024	0.3
158.08473	0.2
159.07945	0.5
159.09190	7.8
160.07564	0.9
165.05499	1.5
166.08601	0.4
169.07596	0.5
170.06021	3.4
171.11736	0.3
177.02258	2.9
183.09085	0.3
184.07571	1.6
185.07101	3.8
187.08702	0.3
188.07072	3.8
195.03288	1.6
197.13177	0.2
200.07072	0.6
201.10252	1.1
223.02820	0.2
227.08170	4.4
229.09714	0.4
231.07928	0.3
233.15379	0.3
241.03824	0.5
245.09213	7.2
246.09538	0.3
248.08189	0.2
255.07637	0.4
273.08591	0.5
273.18494	0.6
291.08606	16.7
291.13559	0.8
291.19498	0.9
292.08960	0.9
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
69.03436	2.8
69.23473	9.2
81.03406	3.4
85.42561	1.2
87.00799	1.8
88.03990	2.0
91.05473	5.0
97.02888	2.4
115.05465	5.7
117.05750	2.4
117.07016	1.4
118.06549	14.2
119.04938	13.8
130.06528	100.0
131.06862	3.4
132.08092	44.9
133.08366	1.5
142.06523	14.8
142.55714	1.4
143.07327	1.5
144.08105	6.8
146.06012	24.8
147.04408	43.5
154.06522	2.0
156.02867	3.0
156.08052	5.4
157.07552	6.9
158.06000	2.3
158.08446	6.8
159.09180	99.8
160.07608	6.7
160.09505	4.1
167.06128	3.0
169.07620	2.6
170.06007	37.9
172.07619	2.3
181.07552	2.3
182.06003	1.6
183.09171	6.2
184.07593	19.1
185.07092	48.6
186.07404	2.0
187.08635	3.9
188.07083	46.4
189.07539	1.6
199.08682	2.2
200.07054	9.7
201.10251	15.3
209.07199	2.1
227.08159	50.8
229.09761	2.4
231.07613	2.6
245.09215	77.2
246.09509	2.4
255.07719	2.9
273.08646	8.1
291.08740	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	291.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.8
52.89452	0.6
53.03934	2.0
55.01881	3.2
55.05514	5.1
55.56041	0.6
57.03432	6.6
59.05006	1.1
61.02920	3.7
65.23609	0.6
67.05500	4.7
69.03409	2.8
69.07069	31.2
71.04984	2.4
77.03933	0.8
79.05494	18.9
81.03421	4.1
81.07056	4.6
83.04967	0.8
85.06525	2.5
87.08105	1.2
89.03913	7.7
91.05496	3.3
93.07034	1.8
95.04945	2.1
95.08592	3.4
97.06531	83.2
98.06821	1.2
98.23450	1.2
99.04389	0.7
99.08092	1.5
103.05483	1.0
105.03382	1.3
105.04497	0.9
105.07025	2.0
107.04944	2.4
107.08594	2.2
109.02869	1.6
109.10149	1.5
111.08077	3.9
112.08862	1.1
115.05457	0.8
117.03379	8.2
117.07010	1.1
119.04923	2.7
119.08537	2.6
121.10176	2.2
129.07045	1.3
129.09123	4.0
131.04912	1.8
131.08572	1.8
133.02846	6.2
133.10112	1.8
135.04405	10.8
135.08038	1.3
135.11720	1.2
141.06975	1.4
144.05821	0.8
145.02855	7.2
145.06516	0.7
145.10133	0.8
147.04410	11.7
147.11705	0.9
149.09561	0.7
157.06503	0.9
157.10167	0.9
159.04425	10.8
159.08061	1.0
161.02330	34.0
162.02666	0.7
163.03900	51.0
163.11157	1.0
164.04282	1.1
167.08499	0.8
173.02342	75.9
174.02663	3.1
177.09116	0.8
185.05922	3.6
186.03108	2.1
187.03880	1.5
187.07538	1.7
191.03391	2.2
195.08008	1.0
197.05937	1.6
209.19653	0.6
213.09003	1.1
215.07030	100.0
216.07330	4.7
217.04906	0.8
227.13835	0.8
233.08035	1.5
241.08627	6.2
245.98080	0.8
259.09659	7.9
260.09821	0.6
273.11160	1.2
273.18478	1.8
291.08685	3.0
291.12405	3.6
291.19489	3.5
291.22903	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.159
Annotation	Lappalone
Peak:m/z	Relative Intensity
53.03949	3.5
55.01870	3.5
55.05506	4.4
57.03436	4.7
57.76140	0.8
61.02927	8.2
65.03957	1.6
67.05507	3.9
69.03430	18.3
69.07071	4.6
71.01344	2.1
71.04995	3.4
73.02920	4.4
79.05504	4.8
81.03419	12.0
81.07056	4.7
83.01353	1.3
83.04991	2.4
85.02905	8.5
91.05480	23.0
93.07039	6.0
95.04982	3.2
95.08602	2.3
97.02889	10.2
97.06473	1.0
98.22612	1.5
99.04470	5.8
103.03970	2.1
105.07032	32.3
107.04951	1.9
107.08589	4.5
109.02892	2.5
109.06529	1.8
111.04456	2.9
111.08094	1.3
113.02411	1.2
115.03908	2.0
115.05486	2.4
117.07014	15.9
118.07364	0.7
119.03535	1.8
119.04942	26.1
119.05765	1.6
119.08578	27.7
120.05213	1.0
121.06509	3.0
121.10132	3.7
123.04462	1.2
124.34000	1.0
127.03909	5.5
128.06207	4.7
129.05496	1.9
129.07004	12.8
129.07877	1.0
130.07811	4.4
131.03392	1.1
131.04918	2.4
131.08565	25.3
132.20198	0.9
133.06491	3.0
133.10147	3.8
135.08054	1.1
137.05978	0.9
141.06984	4.8
142.07794	9.8
143.06065	1.0
143.08591	14.9
144.09337	11.9
145.04964	1.8
145.06490	3.9
145.10121	45.7
147.04410	100.0
147.08063	1.9
147.11684	61.6
148.04755	2.3
148.11958	2.0
153.06998	2.2
154.07799	1.5
155.06044	0.9
155.08568	3.8
156.09351	7.0
157.06540	3.3
157.10129	27.2
158.07216	1.3
158.10947	0.8
159.08055	2.7
159.11691	93.0
160.12062	2.1
161.09666	1.1
161.13301	3.7
163.11217	1.8
165.05554	1.8
165.07071	2.4
167.08611	2.1
168.09390	4.4
169.06537	1.2
169.10118	4.3
171.08072	2.9
171.11676	12.3
172.08818	1.1
173.09673	2.4
173.13255	10.7
175.07573	1.2
175.11182	3.4
179.08627	2.1
180.09286	3.0
181.06531	1.0
181.10138	4.2
182.10892	1.1
183.11676	10.7
184.08871	1.8
185.09613	4.5
185.13249	7.6
187.11140	7.5
189.12752	3.5
192.37898	0.9
194.10983	2.6
195.11664	5.2
197.09787	1.1
197.13319	2.1
198.10536	1.3
199.07491	1.4
199.11159	7.3
199.14803	1.3
201.12724	10.0
203.14304	1.2
209.13316	2.3
211.11189	1.9
211.52759	1.0
213.12698	9.4
225.12769	2.2
227.14252	4.1
231.13831	4.7
232.11684	1.0
237.12781	2.0
240.11391	1.0
243.13794	1.2
246.11252	1.0
255.13710	5.7
259.07669	1.2
273.12106	1.1
273.14832	22.9
274.15085	1.0
291.08585	16.3
291.15948	40.0
291.19327	2.0
292.16354	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1951
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03938	4.8
55.01874	9.9
55.05512	22.8
57.03427	3.4
57.07067	3.1
59.05006	0.8
65.03948	2.2
67.05504	40.3
69.03441	4.1
69.07066	17.3
71.04994	5.0
76.82014	0.8
77.03920	0.9
79.05492	39.5
81.03422	4.0
81.07056	49.6
83.01338	2.5
83.04981	8.1
83.08614	8.9
85.02925	1.1
85.06545	2.5
89.77283	0.9
91.05479	41.1
93.07043	42.9
95.04960	12.1
95.08601	25.6
97.02911	1.2
97.06535	6.3
97.10168	3.7
103.05473	1.2
105.04498	1.9
105.07033	29.6
105.07754	1.5
105.64494	0.8
107.04958	11.0
107.08593	24.9
109.02844	1.0
109.06516	12.6
109.10168	13.5
111.04438	3.3
111.08099	7.5
111.08817	1.3
117.07023	10.0
119.04913	2.0
119.08577	20.0
121.06508	12.1
121.10146	16.9
123.04426	4.4
123.08037	6.5
123.11709	4.2
125.06001	3.0
125.09608	2.1
128.06181	1.5
129.07016	6.5
131.08565	11.8
133.06474	8.9
133.10132	17.8
135.08054	10.6
135.11690	11.2
137.06003	2.7
137.09627	4.1
137.13219	1.2
139.07538	4.2
141.06996	1.2
143.08591	7.8
145.06456	2.6
145.10123	9.5
147.08049	12.1
147.11676	8.2
149.09593	8.6
149.13240	2.8
151.07498	1.8
151.11159	5.1
153.09042	1.4
153.12708	1.8
155.08539	1.1
157.10112	7.3
159.08040	2.1
159.11702	4.8
161.09613	11.1
161.13252	3.8
163.07513	1.2
163.11201	5.8
164.11710	0.9
165.09105	2.6
165.12717	2.1
167.10696	1.0
169.10086	1.7
171.08020	1.1
171.11714	7.3
173.09645	2.6
173.13347	1.8
175.11205	6.2
175.14780	2.2
177.09053	1.5
177.12750	2.6
179.10640	2.3
179.14369	1.0
181.12286	1.4
185.13245	3.4
187.11189	1.9
187.14799	1.0
189.11142	1.0
189.12706	4.1
192.18207	0.9
193.12329	0.9
195.11732	1.0
195.13670	1.3
199.11189	2.3
199.14911	1.0
203.14337	2.1
207.13817	2.3
209.11699	1.8
213.16475	1.6
217.12233	2.5
217.15825	1.7
217.19391	1.0
223.13177	1.2
227.17938	3.5
231.17453	1.8
235.13211	1.1
235.16953	1.0
238.22202	0.9
245.18991	13.6
255.17490	4.5
263.20068	11.4
273.18478	43.5
274.18835	1.6
291.19537	100.0
291.22974	3.2
292.19827	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	291.1954
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
51.92460	0.3
53.03943	0.8
55.01871	2.0
55.05510	5.0
56.11442	0.3
57.03434	1.2
57.07077	3.4
59.04999	2.4
65.03934	0.6
67.05506	6.0
69.03437	1.9
69.07064	2.4
70.06564	0.4
71.04996	2.7
72.23847	0.3
78.59579	0.3
79.05488	5.9
81.03421	0.6
81.07056	9.1
83.04980	2.6
83.08616	3.3
84.74384	0.3
85.01891	0.3
85.02911	0.7
85.06544	2.8
88.07613	0.8
89.07956	0.4
91.05473	6.2
93.06463	0.7
93.07044	9.9
95.04964	4.2
95.08603	13.3
97.06524	3.2
101.76159	0.4
103.05481	0.7
105.04506	0.3
105.07030	10.9
106.04175	0.4
107.04959	4.1
107.08593	6.6
108.05723	1.2
109.06512	7.5
109.10159	3.2
111.04450	0.8
111.08078	22.1
113.06033	0.6
113.09650	0.6
114.23398	0.4
115.05476	0.4
117.07034	1.9
119.04906	0.4
119.07775	0.7
119.08579	8.5
121.06503	2.8
121.10136	5.5
122.07308	2.4
123.08067	40.8
123.11677	1.2
124.08404	1.1
125.09637	1.0
128.06171	0.5
129.06990	1.4
130.07770	0.9
131.08566	6.0
133.06494	4.1
133.09120	0.4
133.10127	7.0
135.08057	5.7
135.11664	2.7
137.09599	2.6
139.07491	0.4
139.11121	0.4
141.05513	0.7
141.06898	0.4
142.07790	1.2
143.08557	2.7
144.09334	0.8
145.10120	9.3
146.10832	0.4
147.08066	3.3
147.11693	4.8
148.12001	0.6
149.09618	4.6
149.13251	0.5
151.07538	100.0
152.07893	2.4
153.09000	0.5
155.08519	0.7
155.10637	0.8
156.09309	1.6
157.10152	3.3
158.10873	0.7
159.08018	2.1
159.11671	2.6
160.08823	0.5
161.09610	3.6
161.13245	1.3
163.11160	3.0
165.09100	0.7
165.12769	0.4
169.10144	0.6
169.12300	0.7
170.10895	0.4
171.11646	2.8
173.09653	1.7
173.13260	3.2
174.10403	2.3
175.11168	4.0
177.09062	1.8
177.12735	1.0
179.10675	4.0
181.10139	0.4
181.12215	0.9
182.10889	0.6
185.13336	0.6
187.11223	1.9
187.14767	0.9
189.12740	25.8
190.13077	1.0
191.10667	1.2
191.14282	3.6
192.11443	6.9
195.11655	0.6
195.67532	0.4
197.11711	10.9
197.13283	1.5
199.11169	0.5
203.14320	1.1
205.12267	0.9
207.13797	59.8
208.14140	2.1
213.16376	1.6
215.14378	2.2
217.12250	3.3
217.15714	0.4
228.23079	0.6
229.23514	1.7
231.17393	1.3
233.15384	7.7
235.13298	1.1
237.16388	0.4
245.19118	0.5
249.18454	0.7
255.17384	1.4
273.18533	4.5
291.19522	28.8
291.27036	5.4
292.19821	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03945	1.3
55.01862	2.1
55.05512	11.8
57.03436	1.5
57.07062	3.2
59.04997	2.6
63.93794	0.5
65.62251	0.6
67.05503	8.4
69.03419	2.7
69.07070	3.5
69.14238	3.6
71.05003	4.6
74.15146	0.6
77.03917	1.0
79.05492	13.8
81.07056	11.4
83.04995	3.6
83.08617	10.9
83.09108	0.6
85.02888	1.0
85.06547	2.3
91.05480	9.9
93.07047	15.2
95.04971	6.9
95.08607	19.4
97.06535	6.3
98.23389	1.1
99.04433	0.7
105.04507	0.7
105.07033	13.0
105.07684	1.1
107.04954	16.0
107.08595	11.8
108.05766	0.7
109.06510	11.3
109.10158	4.1
111.04483	0.6
111.08081	43.6
111.17670	0.5
112.08411	0.9
113.09637	2.5
116.06157	0.6
117.06998	2.3
119.08572	12.0
121.06483	3.1
121.10149	7.2
122.07259	2.1
123.08073	37.4
123.11713	1.3
124.08399	1.5
125.05976	0.6
125.09613	4.0
128.06155	1.0
129.07005	2.2
131.08566	8.1
133.06529	3.9
133.10132	9.6
135.08052	9.3
135.11694	2.5
137.09634	3.8
141.05371	0.7
142.07797	1.9
143.08545	3.4
145.10126	6.2
147.08043	3.5
147.11696	6.3
148.08372	0.6
149.09624	8.5
149.13202	0.8
151.07541	100.0
152.07878	2.4
153.09106	0.6
155.08531	1.0
155.10699	2.3
156.09337	1.2
157.10121	5.6
158.10947	1.3
159.08041	2.6
159.11737	1.3
161.09641	5.3
161.13252	1.2
163.11169	4.3
165.09074	1.3
167.10681	1.1
169.10126	0.8
169.12270	1.2
171.11705	4.3
173.09634	2.3
173.13275	6.4
174.10435	1.7
175.11197	6.9
177.09084	2.7
179.10661	5.0
181.12230	2.2
182.10890	0.7
185.13179	0.6
187.14929	0.6
189.12740	29.4
190.13303	1.3
191.10654	1.7
191.14308	14.3
192.11435	4.5
193.12144	1.2
195.11726	0.7
197.11722	12.7
197.13297	3.5
199.67810	0.7
200.27084	0.6
205.12274	1.0
207.13805	68.8
208.14160	3.2
211.13274	1.6
213.16400	1.5
215.14310	4.9
217.12283	3.6
217.15797	1.3
228.03366	0.6
231.17410	2.7
233.15359	38.2
234.15698	2.2
235.13332	1.9
249.18483	2.2
255.17389	2.2
273.18469	8.5
291.19547	57.7
292.19919	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	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03953	2.1
53.04189	0.7
55.01874	24.2
55.05514	11.5
56.05029	3.0
57.03438	17.7
57.07070	2.7
58.06596	2.0
59.04976	0.8
65.03939	2.9
67.05506	24.9
69.03423	2.5
69.04886	4.5
69.05316	3.0
69.07069	5.5
71.04985	2.2
71.08627	1.5
72.44107	0.9
74.06079	3.7
79.05495	44.2
81.03423	1.4
81.07062	16.9
83.05005	1.6
83.08611	4.3
85.06559	4.2
88.07633	11.8
89.07961	2.7
91.05482	30.3
92.05827	1.0
93.07045	20.6
93.07629	1.3
95.04974	19.8
95.08598	9.2
97.06522	3.4
97.10165	1.9
103.05460	1.3
105.07026	21.6
107.04954	12.9
107.08591	27.0
109.06519	64.4
109.10146	2.6
110.06887	1.0
111.08072	3.0
113.05961	0.9
115.05459	3.7
116.06223	1.1
117.07015	12.6
118.08677	1.5
119.04957	1.3
119.06056	2.3
119.08552	5.9
121.06501	5.0
121.10152	4.7
122.08115	1.1
123.08044	4.2
128.06229	1.1
129.07010	7.6
130.07765	1.5
131.08569	15.1
133.06512	2.9
133.10176	4.8
135.08051	100.0
135.11636	4.4
136.08437	2.0
137.06029	0.8
137.09708	1.2
141.06985	1.6
143.08575	6.1
145.06476	1.8
145.10120	9.0
147.08069	4.2
147.11702	2.5
149.09630	7.3
149.13217	1.3
151.07544	1.2
157.10123	6.2
159.08116	1.6
159.11632	4.2
161.09633	9.2
161.13263	0.9
163.11226	2.1
171.11694	3.7
173.09595	1.1
173.13287	1.8
175.11240	3.4
177.05505	0.9
177.12819	1.1
181.01611	0.8
185.09596	1.2
185.13234	1.4
189.16403	1.0
195.11714	2.0
195.13756	1.1
199.11261	1.7
199.14838	3.2
201.12688	2.1
207.13615	1.3
213.25656	1.0
217.15872	18.7
219.13828	1.1
227.18008	2.2
242.24811	1.2
243.25124	13.1
245.19038	2.0
255.17346	2.0
273.18497	20.2
273.26175	0.9
291.19562	40.3
291.27209	38.6
292.19913	1.2
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	Tuberatolide A
Peak:m/z	Relative Intensity
53.03949	7.5
55.01871	21.0
55.05511	23.0
57.03433	15.7
57.07069	6.8
57.25768	1.5
62.78991	1.7
63.78663	1.6
65.03934	5.4
67.05506	58.2
69.03416	6.7
69.07064	12.5
69.26588	10.3
71.04991	3.8
79.05493	66.4
81.03411	5.8
81.07056	83.2
83.04976	6.1
83.08642	7.4
85.06527	4.8
88.07580	2.8
91.05479	48.0
93.07040	36.1
95.04971	69.7
95.08607	19.2
97.06524	4.0
97.10178	5.8
98.22629	3.2
102.70747	1.8
103.05502	2.7
105.07038	32.5
107.04958	34.5
107.08592	25.1
109.06518	100.0
109.10176	4.7
111.08070	3.9
115.05470	2.8
116.06245	3.2
117.06997	19.8
119.04919	4.3
119.06033	1.9
119.08570	20.1
121.06525	12.2
121.10139	9.5
123.08052	6.7
125.09639	3.9
128.06169	2.7
129.06966	10.0
131.08566	20.2
133.06485	5.9
133.10144	9.5
135.08052	82.9
135.11702	8.6
136.08461	2.0
137.05952	3.1
138.54971	1.7
143.08543	9.4
145.06493	2.0
145.10133	17.6
147.08012	12.3
147.11649	2.6
149.09625	12.7
149.13248	2.5
151.07571	2.4
151.11163	1.8
155.08560	2.0
157.10144	10.1
159.08087	2.6
159.11722	8.2
161.09602	15.7
161.13232	3.7
163.11166	7.3
169.10167	2.1
171.11694	5.0
173.09612	2.9
173.13266	2.8
175.11136	4.1
177.12729	3.2
180.10237	14.2
185.13266	3.9
187.11147	2.7
195.11798	1.7
198.54874	1.7
199.14847	2.7
201.12743	2.0
207.13818	2.1
217.15842	14.2
227.18033	2.7
236.16472	8.0
243.25206	2.0
245.18918	2.6
249.14862	4.2
255.17427	2.7
273.18506	36.5
291.19525	90.9
291.27081	6.1
292.19873	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	291.1954
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
50.62986	0.1
51.02387	0.2
51.19647	0.1
53.03938	0.7
55.01870	2.4
55.05509	8.5
56.05825	0.2
57.03424	0.4
57.07059	0.3
59.04985	0.3
63.74791	0.1
65.03933	0.4
67.05501	5.0
69.03420	1.2
69.07067	2.8
69.07867	1.3
71.04978	0.7
73.06535	0.2
79.05491	7.0
81.03409	1.1
81.07052	7.1
83.04980	1.0
83.08147	0.3
83.08619	3.7
85.06519	0.4
87.04416	0.2
91.04897	0.4
91.05473	7.1
92.06256	0.3
93.03410	0.2
93.07040	6.0
94.04179	0.4
95.04956	3.0
95.08601	2.5
97.06525	0.6
97.10165	3.6
103.05469	0.4
105.03377	0.3
105.04510	0.3
105.07025	6.5
107.04953	3.0
107.08585	3.4
107.71717	0.2
108.05750	0.6
109.06528	0.8
109.10132	1.0
111.08076	0.6
115.05441	0.6
116.06216	0.5
117.07018	2.6
119.04946	1.8
119.08580	4.8
120.05724	0.4
120.08875	0.2
120.54128	0.1
121.06506	2.3
121.10136	1.1
123.08064	1.1
123.11693	0.2
125.09627	1.5
128.06206	0.5
129.06996	1.7
130.07770	0.6
131.08562	3.5
132.05690	0.3
133.06482	3.8
133.10133	1.3
134.07312	0.9
135.08047	1.2
135.11679	0.5
137.09625	0.5
142.07719	0.3
143.08559	1.4
144.09242	0.2
145.06485	0.6
145.10097	2.4
145.11229	0.2
147.06897	0.3
147.08041	4.2
147.11694	0.6
148.08548	0.1
149.09596	1.4
151.07503	0.8
153.09114	0.2
157.10143	0.9
159.08043	0.2
159.11708	0.5
159.68353	0.2
161.09631	1.0
161.13260	0.3
162.10385	1.7
163.11095	0.8
165.09125	0.2
169.10078	0.3
171.11676	0.5
173.13274	0.2
175.11186	0.9
177.12733	0.2
181.10149	0.2
185.09579	0.2
189.11237	0.4
189.12770	0.4
195.11884	0.2
203.14372	0.3
207.13864	0.4
221.11632	0.2
222.51320	0.2
223.13313	1.0
235.13419	0.1
236.14046	0.2
245.18996	0.3
249.14864	2.2
255.17439	0.3
261.14832	0.4
263.16458	0.3
273.18478	3.2
291.19513	100.0
292.19864	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	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03943	6.9
55.01875	24.1
55.05515	19.0
57.03436	17.4
57.07065	1.5
61.01593	1.4
65.03938	3.2
67.05508	39.6
69.03427	6.4
69.07069	13.3
71.05000	3.8
77.03937	1.7
79.05495	63.9
81.03409	6.5
81.07064	48.4
83.04974	7.0
83.08629	9.6
85.06528	6.7
91.05482	47.0
93.06470	2.7
93.07043	38.5
95.04971	13.2
95.08605	24.2
97.06528	5.5
97.10156	4.3
98.23413	2.8
99.08062	1.6
103.05460	1.7
105.07032	37.9
107.04952	20.0
107.08588	35.2
109.06522	66.9
109.10139	14.1
111.08078	3.4
113.06020	1.6
115.05460	3.4
117.07037	18.9
119.04948	3.1
119.08599	21.6
121.06524	10.7
121.10140	11.3
123.04469	1.8
123.08058	8.0
123.11733	2.0
125.05998	2.1
125.09657	2.9
128.06285	3.1
129.06972	9.1
130.07761	2.6
131.08582	24.0
133.06502	8.8
133.10132	17.1
135.08058	100.0
135.11690	9.6
136.26166	1.6
137.09589	3.9
139.07585	2.0
142.07777	1.9
143.08582	8.9
145.10129	16.2
147.08049	9.7
147.11687	5.5
149.09636	16.7
149.13304	1.5
151.07555	2.8
151.11191	4.5
155.08513	2.1
157.10155	9.3
159.08031	4.8
159.11740	7.8
161.09659	15.9
161.13330	2.5
163.11188	5.4
171.11705	7.5
173.09575	2.3
173.13268	3.0
175.11206	6.0
177.09160	3.0
179.10693	2.4
181.10017	2.4
183.11595	2.5
185.13223	2.4
189.12738	3.4
199.11243	3.6
199.14810	4.9
207.13820	2.6
213.12889	2.3
217.15862	18.5
219.13844	3.0
227.17976	2.4
237.16344	3.6
245.19058	8.1
255.17424	4.8
263.20099	3.0
273.18494	43.3
291.19559	98.3
292.19876	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	291.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54725	0.2
51.90409	0.2
52.30528	0.3
53.03933	0.9
55.01876	2.0
55.05515	8.9
57.03434	0.8
57.07079	0.7
59.04994	0.3
65.03959	0.5
67.05180	0.5
67.05508	5.9
69.03443	1.2
69.06742	0.3
69.07074	3.7
71.04982	0.6
71.08628	0.3
77.03900	0.3
79.05492	8.9
81.03409	1.0
81.07063	7.6
83.04960	1.4
83.08619	3.5
85.06545	0.7
87.04468	0.3
89.06047	1.4
91.05481	8.8
93.07047	8.0
95.04967	4.1
95.08602	3.8
97.06532	1.0
97.10181	3.3
98.22591	0.8
103.05447	0.6
104.06266	0.3
105.03362	0.3
105.07032	6.9
107.04966	3.0
107.08592	4.6
108.05775	0.5
109.06553	1.6
109.10184	1.5
111.08081	0.9
115.05444	0.4
116.06229	0.6
117.07025	3.1
119.04941	1.7
119.07769	0.5
119.08580	5.7
120.05742	0.7
121.06503	2.0
121.10153	2.0
123.08058	1.6
123.11713	0.4
125.09626	1.3
126.42043	0.3
128.06227	0.5
129.07008	2.1
130.07813	0.5
131.08566	3.0
133.06480	3.0
133.08617	0.3
133.10136	2.1
134.07275	1.0
135.08043	2.2
135.11708	1.2
137.09616	0.5
142.07814	0.4
143.08554	1.0
145.06456	0.7
145.10100	2.4
147.08047	4.5
147.11707	0.9
148.08780	0.3
149.09622	1.2
149.13319	0.3
151.07544	0.8
157.10129	1.2
159.11678	0.9
161.08415	0.3
161.09618	1.5
162.10408	1.2
163.11171	0.9
165.09111	0.7
169.10153	0.4
171.11676	0.6
175.11166	1.3
175.14798	0.4
177.09039	0.3
177.12691	0.3
183.11650	0.4
185.13286	0.4
189.12714	0.6
207.13780	0.6
217.19463	0.4
223.13274	1.7
245.18967	0.6
249.14807	2.7
255.17299	0.4
259.20612	0.3
261.14865	0.4
262.15585	0.4
273.18478	3.6
291.19543	100.0
292.19894	4.8
303.83881	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
50.20005	0.1
53.03939	0.7
53.24892	0.1
55.01873	1.8
55.05510	7.6
56.05823	0.1
57.03425	0.5
57.07066	0.3
59.04990	0.4
65.03940	0.4
67.05502	4.6
68.70233	0.1
69.03434	1.1
69.07066	2.7
71.04999	0.8
71.08617	0.1
73.06576	0.1
77.03918	0.2
79.05490	6.6
80.05805	0.1
81.03422	0.7
81.07053	5.4
83.04984	1.0
83.08615	3.7
85.06516	0.3
87.08163	0.1
88.11260	0.5
88.51196	0.1
91.05476	6.8
92.06288	0.2
92.90826	0.1
93.07039	5.1
93.07634	0.3
94.04182	0.4
95.04964	2.8
95.08599	2.4
95.09163	0.2
97.02869	0.2
97.06528	0.5
97.10165	3.3
98.23377	0.2
101.09652	0.2
103.05444	0.4
104.06266	0.1
105.03419	0.3
105.04480	0.2
105.07027	6.1
106.07344	0.2
107.04953	2.9
107.08590	3.1
108.05720	0.5
109.06519	0.8
109.10162	0.7
111.08066	0.2
115.05466	0.5
116.06235	0.2
117.07017	2.3
118.04142	0.1
119.04935	1.7
119.05833	0.2
119.06099	0.1
119.08581	4.4
120.05722	0.5
121.06507	1.7
121.10126	0.8
123.08033	1.0
123.11656	0.2
125.09626	1.3
128.06264	0.2
129.06982	1.4
130.07805	0.7
131.08557	2.9
132.05690	0.2
132.08910	0.2
133.06488	3.4
133.10123	1.0
134.07300	0.9
135.08069	1.3
135.11679	0.5
137.09596	0.4
142.07759	0.2
143.08542	1.2
145.06491	0.4
145.10135	2.1
147.08035	3.2
147.11676	0.5
148.08824	0.1
149.09630	1.0
151.07558	0.2
155.08582	0.2
157.10120	0.7
159.08051	0.2
159.11676	0.4
161.09653	1.2
161.13170	0.2
162.10394	1.5
163.11163	0.9
165.09117	0.4
169.10083	0.2
171.11679	0.3
171.65874	0.1
173.09593	0.2
173.13141	0.2
175.11186	1.1
185.13304	0.2
187.11290	0.1
189.11253	0.2
189.12753	0.2
223.13268	0.9
227.17975	0.1
231.17500	0.1
233.15465	0.2
236.14224	0.2
236.16403	1.0
245.18938	0.3
249.14859	2.1
255.17484	0.3
257.74414	0.1
261.14859	0.5
261.89517	0.1
262.15518	0.3
263.16296	0.3
270.76044	0.1
273.18469	2.9
274.18530	0.1
291.19519	100.0
292.19861	5.0
292.22363	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03949	3.1
55.01871	3.9
55.05518	12.9
57.03431	5.2
59.04993	3.1
67.05511	11.6
69.03427	13.6
69.07072	19.5
69.09862	18.1
69.10267	5.5
71.05032	2.8
79.05489	31.3
81.03391	3.5
81.07053	28.0
83.04985	8.6
83.08621	9.1
89.57180	2.1
91.05481	20.7
93.07033	35.4
95.04948	6.6
95.08596	23.2
97.06548	21.7
97.10181	4.5
102.13602	2.3
105.07036	31.7
107.04952	6.7
107.08603	37.4
109.06508	42.2
109.10162	10.4
111.04488	3.1
111.08091	6.0
111.11713	3.0
117.07040	6.7
119.04941	3.7
119.08598	15.2
121.06541	6.3
121.10149	54.6
123.08054	7.4
123.11707	5.1
125.09641	12.4
129.07013	5.7
131.08601	14.1
133.06490	7.2
133.10129	6.8
135.08072	23.3
135.10735	2.8
135.11697	3.5
137.09627	7.3
139.11195	4.2
141.07039	2.8
143.08539	4.7
145.06471	3.6
145.10124	9.2
147.04448	11.1
147.08044	7.3
147.11703	9.1
149.09641	21.9
149.13255	3.7
151.07523	11.4
153.05502	9.2
155.68333	2.4
157.10126	7.0
159.08015	5.4
161.09634	8.4
161.13298	2.6
163.03929	4.0
163.11166	5.7
167.10684	100.0
168.11006	3.6
171.11697	10.1
173.09607	2.8
173.13316	12.4
175.11188	11.0
178.94003	2.6
181.10303	3.4
189.12772	5.5
191.10684	15.8
191.14328	9.8
197.13324	6.6
207.13800	5.3
215.07109	3.0
215.14333	8.3
225.44803	2.4
231.17384	5.1
233.15320	23.0
240.88098	3.0
249.11125	5.5
255.17390	4.8
259.38022	2.4
273.15421	4.0
273.18515	21.8
291.09964	3.3
291.13599	4.9
291.16382	4.4
291.19519	45.3
291.22818	4.5
292.19998	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	291.1953
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
51.88871	2.1
53.03961	5.3
55.01864	7.5
55.05507	22.9
57.03428	6.5
57.07082	3.2
59.04979	2.5
59.18268	2.2
61.02928	4.8
65.03947	4.3
67.05513	30.1
69.03432	25.0
69.07067	45.6
70.06593	4.7
70.42889	2.3
70.43253	5.9
71.04994	25.1
79.05488	31.9
81.03423	12.4
81.07056	31.2
83.04987	16.1
83.08617	2.3
85.02915	8.3
85.06551	24.2
85.17837	2.2
89.03911	5.2
91.05478	33.7
93.07056	31.5
95.04961	20.7
95.08601	36.1
97.02884	5.0
97.06530	100.0
99.04455	49.5
99.07463	3.7
99.08078	25.1
101.06027	4.2
103.86279	2.5
105.07027	35.0
107.04986	6.0
107.08587	38.2
109.06509	27.1
109.10141	21.5
111.08082	8.8
113.09620	11.0
115.05464	5.3
117.03397	8.5
117.06984	12.8
117.94495	2.7
119.04942	17.7
119.08584	36.5
121.06493	14.8
121.10134	22.5
123.08061	23.3
123.11674	2.7
125.05978	4.6
125.09625	20.3
127.03953	4.3
129.07025	6.6
129.09142	4.8
131.08551	17.5
133.02885	5.0
133.06508	3.4
133.10123	31.9
135.04424	9.5
135.08058	36.5
135.11717	10.7
137.05980	3.7
137.09616	18.1
139.11174	4.5
141.09050	2.8
142.07771	4.2
143.08565	8.5
145.02814	6.0
145.10127	24.6
147.03215	3.4
147.04404	70.3
147.08022	6.4
147.11633	15.5
149.09605	10.5
149.13266	4.8
151.11195	4.9
155.08546	2.9
155.10672	3.2
156.09326	3.3
157.10126	14.2
158.10869	2.4
159.04422	8.3
159.07983	11.2
159.09241	2.7
159.11658	17.0
161.02341	29.6
161.09679	15.7
161.13206	5.3
163.03902	58.3
163.07504	2.8
163.11183	10.4
164.04272	4.0
165.09126	10.3
169.10173	2.9
171.11673	14.4
173.02333	66.2
173.09592	3.9
173.13217	15.3
175.11201	10.9
177.09123	4.1
179.10690	4.2
185.05965	3.2
185.13220	6.6
187.03944	2.9
187.07431	2.7
187.11278	3.1
187.14882	6.9
189.12753	12.5
189.16376	2.4
191.14320	10.2
199.11174	3.7
213.12660	5.6
213.16344	5.3
215.04973	4.3
215.07027	79.5
215.09042	4.6
215.14409	8.5
216.07355	5.1
217.12233	6.8
227.17905	5.8
229.15938	2.5
229.19418	2.3
231.13789	3.1
231.17424	10.8
233.15483	12.2
241.08563	8.6
245.18913	3.8
249.10980	3.8
249.18486	5.3
255.17496	9.3
259.09631	7.1
261.18646	4.5
273.18478	40.7
274.18695	3.2
291.08533	12.4
291.19559	70.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01873	0.7
55.05516	1.2
55.49138	0.5
59.04987	0.6
65.03924	1.3
67.05501	1.7
69.03088	0.7
69.03435	10.4
69.07065	1.7
70.89857	1.1
71.04998	3.7
73.06546	0.6
79.05479	1.4
81.03421	10.5
81.07058	3.0
83.05006	1.2
83.08563	0.7
85.02898	1.0
85.06538	1.2
91.05484	11.9
93.07049	3.9
95.04949	1.1
95.08598	2.2
97.02906	5.3
97.06541	0.9
99.04459	1.7
99.38186	0.5
103.51862	0.6
105.07053	3.7
106.33342	0.6
107.04974	0.8
107.08576	3.8
109.02882	1.7
109.06506	1.0
109.10162	1.9
117.06969	0.7
117.96205	0.5
119.04951	22.0
119.08595	3.2
120.05283	0.7
121.10149	8.8
125.09637	3.5
125.67948	0.5
127.03934	4.9
127.11210	1.3
131.08582	1.7
133.10138	9.0
135.08037	0.7
135.11685	0.7
137.05991	0.7
141.09163	0.6
143.10670	6.3
145.10141	1.6
147.04417	100.0
147.11716	1.9
148.04761	3.5
151.11209	1.5
153.47934	0.5
159.08112	0.6
159.11722	1.5
161.13257	0.7
161.90532	0.6
165.05553	0.8
169.10115	0.7
189.16389	2.7
201.16458	0.9
207.17357	0.8
219.17487	2.6
233.15468	1.3
237.18561	1.3
270.92920	0.6
291.08679	18.9
291.13309	1.0
291.16406	1.1
291.19623	2.5
292.08975	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2318
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
50.34293	1.7
53.03939	4.1
55.05512	18.2
57.07060	2.5
67.05141	2.0
67.05503	38.8
69.07072	19.9
69.65823	4.2
69.66220	4.4
73.06519	1.9
79.05496	67.2
80.05841	2.1
81.06592	2.8
81.07060	46.5
82.49057	1.7
83.08624	11.7
85.06531	4.2
91.05479	26.4
93.07045	100.0
94.07365	2.3
95.04964	5.1
95.08049	2.9
95.08606	34.9
96.08913	2.4
97.10162	4.4
105.07026	22.8
107.08598	52.4
109.10158	14.3
117.07000	2.3
119.08582	14.2
121.06316	1.9
121.09307	2.8
121.10145	47.6
123.08098	2.0
123.11706	6.1
125.09602	2.9
125.26481	1.8
129.06973	2.2
131.08521	6.3
133.10133	17.0
135.08040	3.5
135.11697	53.6
137.09615	2.4
139.11226	2.6
143.08597	2.3
145.10100	4.9
147.11684	12.0
149.09616	5.0
149.13269	40.7
157.10110	1.9
159.11664	4.5
161.09595	2.0
161.13225	9.5
163.11186	5.0
163.14789	10.2
171.11623	5.0
173.13286	2.8
175.11169	2.5
175.14786	6.6
177.12738	3.8
185.13220	3.6
189.12733	3.7
195.13945	2.6
199.14870	2.4
209.15324	1.9
213.16418	2.3
217.19443	4.0
241.19539	6.2
249.18562	2.3
259.20633	12.9
291.19632	13.8
291.23154	82.6
291.26483	4.2
292.23477	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	293.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08896	2.0
61.96852	1.6
66.64845	1.8
66.69244	1.6
69.61149	9.6
72.97871	1.9
81.79243	2.0
83.99224	1.7
86.56934	2.0
98.22690	3.9
104.06504	2.1
112.89633	3.3
147.28165	2.1
160.01314	1.8
161.77930	2.0
293.06323	100.0
294.06631	3.1
296.24146	1.8
299.16733	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	293.1232
Annotation	Itoside L
Peak:m/z	Relative Intensity
53.03941	2.7
55.01887	3.9
57.03436	5.6
57.07085	12.2
57.07321	1.9
61.02927	9.9
65.03929	2.7
67.05515	16.8
69.03442	16.3
69.07069	4.8
71.04979	6.9
73.02894	2.7
80.46760	1.8
80.62723	1.9
81.03415	7.5
85.02912	80.6
85.06554	7.6
91.03957	3.3
95.04968	21.5
97.02919	16.8
98.97579	3.1
99.04464	3.4
109.02890	8.0
113.06016	49.7
119.08617	2.3
120.99529	5.9
125.68777	2.3
127.03943	13.7
131.07051	100.0
145.04944	14.2
204.98634	2.1
291.68628	2.2
293.06439	2.9
293.11356	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1382
Annotation	40321-98-0
Peak:m/z	Relative Intensity
50.27514	0.4
51.02377	0.5
53.03944	1.2
55.01849	1.0
55.05513	24.2
57.03438	1.0
57.07085	0.5
65.03941	2.2
67.05498	2.5
69.03439	2.8
69.07059	1.3
71.04986	1.2
73.06179	0.7
73.06556	9.2
77.03915	0.5
79.05502	2.8
81.03420	1.5
81.07079	3.0
81.07504	0.6
83.04978	0.8
83.08637	0.7
85.02898	1.5
85.06555	1.2
91.05491	4.6
93.03382	0.5
93.07058	2.4
95.04951	1.6
95.08613	2.5
97.02907	5.4
97.06522	1.4
99.04461	0.6
99.08079	0.9
103.05462	8.6
105.07017	2.3
107.04981	0.6
107.08580	2.3
109.06504	0.8
109.10168	1.8
111.04470	0.5
111.08087	0.6
117.07053	1.0
119.04906	0.4
119.08589	1.9
121.02865	7.4
121.03963	1.2
121.06537	0.6
121.10138	1.4
123.08065	1.0
125.09602	0.7
127.03867	0.8
128.06227	0.5
129.07005	3.6
131.04932	23.6
131.08563	3.6
132.05273	0.5
133.06470	0.8
133.10133	1.4
135.08064	0.9
135.11693	0.6
137.09607	0.8
143.04924	1.7
143.08549	0.7
145.10130	1.5
147.04411	0.6
147.11699	0.9
149.02341	100.0
149.09644	0.7
150.02672	1.6
157.06519	1.3
157.10080	0.5
161.05974	5.3
161.08212	0.4
161.09593	0.6
165.07040	0.5
167.03441	2.0
173.13292	0.7
175.07547	19.0
185.06032	1.1
187.14789	0.5
191.14281	0.7
199.03894	0.7
203.07031	21.2
204.07394	0.8
219.08173	0.6
221.05899	0.5
223.07509	0.5
237.09103	0.9
251.06998	1.6
257.19247	0.5
262.13895	0.4
263.48776	0.4
275.12711	2.8
275.20047	1.6
293.08292	0.7
293.11560	1.8
293.14017	1.7
293.21027	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.3
53.03939	7.0
55.01879	11.2
55.05510	14.5
57.03437	22.5
57.07075	5.5
65.03948	4.6
66.22897	1.8
67.05510	64.8
69.07073	12.5
71.04989	4.2
71.28399	2.1
77.03930	1.9
79.05497	100.0
80.05808	2.3
81.03414	6.0
81.07060	44.7
83.04987	13.3
83.08616	6.1
85.06545	5.0
88.91369	1.8
91.05486	89.3
92.05794	2.7
93.07051	79.0
94.07363	1.9
95.04979	18.1
95.08608	32.4
97.06537	19.5
99.08084	1.9
103.03940	2.2
103.05431	4.2
103.53637	1.8
105.04568	2.1
105.07035	41.1
107.04955	16.8
107.08588	29.8
109.06538	8.8
109.10114	4.0
111.04420	2.2
111.08084	4.1
115.05445	6.2
117.06203	3.7
117.07018	58.5
119.08585	29.4
121.06482	15.5
121.10156	36.7
123.08076	18.2
128.06273	3.2
129.05498	6.7
129.07007	16.1
131.08572	62.6
133.06490	5.9
133.10112	11.5
135.08072	21.0
135.11694	2.8
137.09619	4.6
139.07587	2.6
141.07005	23.2
142.07813	3.5
143.08548	8.2
145.06479	2.9
145.10112	15.1
147.08089	2.1
147.11697	6.6
149.09627	17.1
149.13263	3.7
151.11151	2.5
155.08594	17.2
157.10176	13.6
159.08049	3.8
159.11694	36.2
161.13289	5.4
163.11192	4.9
165.12767	2.2
168.09421	3.2
171.11708	5.7
173.09668	5.9
173.13281	34.5
175.11194	4.8
175.14818	4.9
181.04906	1.7
183.11696	27.6
185.13248	7.7
189.12825	2.1
190.05344	1.8
191.10669	2.9
195.11620	1.9
201.12735	30.1
203.14339	11.2
209.11678	3.4
219.09950	2.7
219.13762	8.6
237.11217	4.9
275.16452	5.6
275.20120	9.1
276.20450	3.0
293.17502	35.8
293.21124	40.3
294.21100	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96044	1.7
53.03937	8.5
55.01877	10.1
55.05510	13.8
57.03440	20.1
57.07067	8.5
59.48236	2.1
62.13771	1.7
65.03944	3.0
67.05506	59.2
69.03413	3.0
69.07061	15.5
71.04995	4.3
71.08638	2.6
71.29803	3.3
79.05495	100.0
81.03407	6.0
81.07053	45.7
83.04987	13.4
83.08620	4.6
85.06519	6.1
91.05483	91.1
92.05790	2.6
93.07046	71.6
95.04980	24.5
95.08609	25.1
97.06522	14.5
97.10189	3.0
99.08087	3.9
103.03964	4.4
103.05453	5.6
105.04500	4.1
105.07029	44.8
107.04946	13.9
107.08591	31.4
109.06528	9.4
109.10204	4.9
110.05914	2.4
111.04478	2.8
111.08042	4.4
115.05452	11.7
116.06199	2.3
117.07020	50.7
118.07350	2.4
119.08575	33.7
121.06499	15.3
121.10140	38.7
123.08051	23.9
125.09611	3.9
128.06232	4.2
128.64223	1.9
129.05484	8.4
129.06976	19.9
131.08568	58.5
133.06479	6.4
133.10144	12.2
135.08044	20.4
135.11703	4.4
137.09628	5.6
139.07570	2.3
141.06969	22.0
142.07739	2.8
143.08548	5.1
145.06532	3.7
145.10136	20.3
147.08107	3.0
147.11694	5.0
149.09624	19.0
150.09793	2.0
155.08537	13.0
157.10110	16.6
159.08061	3.1
159.11697	33.5
161.09615	4.2
161.13266	6.0
163.11174	8.8
165.12753	2.0
168.09354	3.4
169.68391	2.2
171.11678	2.5
173.09619	5.5
173.13268	37.1
175.11252	3.1
175.14827	4.3
177.12724	2.9
183.11693	23.0
185.13245	7.0
187.14949	2.0
191.10596	4.4
191.14226	2.3
201.12733	32.4
203.14262	7.4
209.11688	2.7
215.14369	4.7
219.13831	7.7
237.11162	5.0
237.15135	2.0
275.16422	15.2
275.20038	12.3
293.17508	31.1
293.21094	55.2
294.21286	2.4
295.98633	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
53.03941	5.7
53.69947	1.5
55.01874	9.1
55.05244	1.9
55.05513	29.0
57.03446	2.5
57.07074	9.4
58.45480	1.2
58.74837	1.6
67.05508	100.0
69.03426	4.1
69.07068	26.8
71.04996	4.4
71.08632	3.7
71.27587	1.7
72.70713	1.4
75.14899	1.4
79.05498	34.3
81.03432	10.7
81.07062	94.3
83.04974	8.3
83.08630	19.8
85.06546	5.9
85.10197	2.0
91.05487	28.7
92.98204	1.3
93.07049	36.3
95.04986	19.2
95.08612	63.3
95.79728	1.3
97.02943	2.4
97.06548	7.6
97.10180	4.8
99.08084	1.9
105.07031	20.6
105.07679	1.9
106.12059	1.4
107.04973	9.4
107.08595	22.4
109.06526	6.3
109.10165	34.2
109.10909	1.9
111.04446	5.4
111.08060	7.9
113.09633	3.3
117.07018	7.8
119.08595	13.1
121.06531	7.6
121.10149	15.4
123.08069	9.1
123.11700	12.2
125.09627	4.5
125.36199	1.6
131.08577	15.1
133.10136	17.0
135.08083	4.1
135.11697	12.0
137.09634	30.8
137.13243	3.3
141.06909	2.1
141.09155	1.7
143.08553	1.8
143.39569	1.4
145.10106	11.7
147.08047	2.8
147.11687	9.7
149.09610	6.9
149.13289	4.6
151.11198	14.0
151.14793	2.7
153.09113	2.2
153.12688	1.7
155.08559	1.8
159.11699	9.1
161.09544	2.2
161.13316	3.4
163.11169	10.1
163.14893	2.2
165.09140	1.6
165.12791	4.3
167.10733	2.4
169.10129	2.1
169.12195	2.1
173.09639	2.4
173.13245	7.1
175.11131	2.1
177.12817	5.8
179.14330	4.0
181.04965	2.6
181.12270	3.7
183.11697	2.0
191.10646	3.2
191.14336	4.5
209.11720	5.7
209.15282	1.8
223.13246	2.8
229.19511	3.2
237.11198	7.7
243.20961	2.3
247.20639	5.0
257.18994	5.5
261.22281	3.2
265.21735	4.3
275.20078	37.0
293.21188	50.4
293.24765	5.4
294.21411	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.73694	1.8
53.03933	7.0
55.01876	23.3
55.05510	60.1
57.03438	13.6
57.07067	7.8
57.77555	2.4
59.04999	2.9
65.03937	3.0
67.05507	89.4
68.05858	2.6
69.03431	8.0
69.07068	52.4
69.13361	3.2
69.13766	15.7
71.04989	9.9
73.06523	2.1
79.05490	70.0
81.03411	18.1
81.07056	93.1
81.20086	1.9
83.04981	20.3
83.08617	25.2
85.02894	2.7
85.06537	4.9
91.04905	2.5
91.05479	59.0
93.07042	61.9
93.30586	2.1
95.04972	54.1
95.08607	55.0
97.06525	24.1
97.10170	15.1
101.77792	2.1
103.05444	3.2
105.04498	2.7
105.07027	53.5
107.04932	12.6
107.08595	48.3
109.06531	27.9
109.10152	34.3
111.04480	2.5
111.08078	9.8
117.07018	19.3
119.08582	42.5
121.06525	8.7
121.10141	31.6
123.08077	28.0
123.11684	10.8
125.09620	9.7
129.06981	6.8
131.08549	22.3
133.06482	2.8
133.10127	29.8
135.08047	7.7
135.11690	12.1
137.05978	16.8
137.09612	30.7
139.11185	7.0
141.06970	2.4
143.08553	3.9
145.10135	18.1
147.08022	3.3
147.11671	25.3
149.09622	21.3
149.13208	4.5
151.11174	8.0
153.09071	2.2
155.08542	5.0
157.10097	4.9
159.11697	15.1
161.09648	3.3
161.13287	9.5
163.11176	14.2
165.09128	5.3
165.12770	5.4
169.10081	2.8
171.11682	4.3
173.13231	12.0
175.11179	2.4
177.12717	7.7
179.14163	2.9
181.04935	3.6
185.13222	2.7
187.11218	3.8
187.14818	4.2
189.11217	5.1
189.12759	3.2
191.10599	4.2
191.14249	2.9
193.12341	3.0
195.13866	2.2
197.13144	2.1
201.12758	4.9
203.12599	2.9
205.12257	2.6
205.15842	5.9
209.11699	6.2
215.14363	4.5
219.17397	6.5
223.13341	5.8
229.19511	3.7
233.11763	2.3
233.15385	5.1
237.11198	11.5
237.14845	4.2
239.17944	5.7
247.20618	8.2
257.18951	12.8
275.20062	100.0
276.20444	4.6
293.18152	3.3
293.21085	78.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	2-[4-Methyl-2-(2-methylpropoxy)phenyl]-2-[(2-methylpropoxy)methyl]-oxirane
Peak:m/z	Relative Intensity
52.56848	0.1
53.03936	0.3
55.01872	0.7
55.05513	2.6
56.05824	0.1
57.03424	0.2
57.07067	0.6
59.04974	0.1
65.00833	0.1
65.03932	0.4
67.05504	3.3
67.88310	0.1
68.05827	0.1
69.03415	0.2
69.07066	2.0
70.57185	0.1
71.04984	0.4
71.08632	1.6
71.29491	0.1
79.05490	3.0
80.05828	0.2
81.03419	1.1
81.06587	0.2
81.07053	3.4
83.04967	0.5
83.08615	1.2
85.06530	0.3
87.08099	0.1
91.05478	1.7
92.05772	0.1
93.03413	0.1
93.07047	2.1
94.07352	0.2
95.04967	3.9
95.08605	1.6
96.08913	0.1
97.06520	0.4
97.10172	0.7
97.36779	0.1
99.08090	0.9
99.24412	0.1
103.05435	0.2
105.04501	0.1
105.07029	1.6
105.87723	0.1
107.04952	3.7
107.08592	1.2
108.05745	2.2
108.08887	0.1
109.06518	2.0
109.10133	0.4
111.04414	0.2
111.08068	0.2
116.45224	0.1
117.07002	0.6
119.08569	0.8
121.06506	8.6
121.10140	0.9
122.06748	0.1
122.07360	0.2
122.10446	0.2
123.08042	0.5
123.11720	0.1
125.09621	0.5
125.57937	0.1
129.06992	0.2
131.08566	0.7
133.10138	0.5
135.08066	1.1
135.11690	0.3
137.09595	0.2
141.06947	0.1
141.08984	0.1
143.08585	0.1
145.10147	0.5
147.08078	0.1
147.11665	0.3
149.09598	0.5
149.13222	0.1
150.13635	0.1
151.07542	0.1
151.11172	2.0
155.08536	0.1
157.10124	0.1
159.11690	0.3
163.11230	0.5
164.11984	1.7
165.12750	1.6
173.13237	0.1
177.12729	1.6
183.11674	0.1
187.11215	0.1
188.35585	0.1
189.11279	0.2
191.10602	0.3
191.14349	0.3
201.12640	0.1
209.11772	0.2
219.13771	0.2
223.13284	0.3
233.11922	0.1
237.11220	0.3
237.14827	1.1
244.62599	0.1
249.14845	0.1
275.20102	0.7
293.21085	100.0
294.21448	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	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03947	5.8
55.01872	8.9
55.05508	27.5
57.03440	4.9
60.88427	1.5
65.03934	2.5
67.05502	51.2
69.03430	3.5
69.07064	33.3
69.95344	4.8
71.04999	5.1
79.05491	39.8
81.03412	10.5
81.07053	100.0
83.04955	8.6
83.08606	13.6
85.06546	3.5
91.05481	31.2
93.07039	31.5
95.04964	31.7
95.08603	31.5
95.09160	2.7
97.06541	6.3
97.10171	3.7
105.07032	32.7
107.04971	6.2
107.08585	22.5
109.06521	24.1
109.10151	16.2
111.08106	5.2
117.07040	6.7
119.08580	29.8
121.06512	4.9
121.10130	19.2
123.08068	29.2
123.11709	7.7
125.09602	2.4
129.06987	2.3
131.08556	14.5
133.10127	19.4
135.08040	4.6
135.11685	6.1
137.05992	3.8
137.09615	8.9
143.08548	2.1
145.06500	2.2
145.10085	13.2
147.11678	19.3
149.09602	8.5
149.13286	3.6
151.11186	4.9
155.08568	2.1
155.90027	1.6
157.10155	2.6
159.11678	10.5
161.13330	3.4
163.11188	7.3
165.12775	3.7
171.11713	3.8
173.13254	7.9
175.11186	2.8
175.14865	2.3
177.12766	4.2
187.14891	2.4
205.15991	2.6
219.13771	2.3
222.65497	1.8
229.19469	2.1
237.14912	3.8
239.18022	4.7
247.20670	4.8
257.18994	7.1
273.10410	1.5
275.20047	50.6
275.23026	2.7
276.20328	3.0
293.21063	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03941	6.1
55.01881	8.4
55.05272	2.6
55.05513	29.2
57.03441	3.5
57.07059	3.9
65.03934	3.4
67.05505	50.1
69.03416	3.3
69.07070	28.5
69.62946	8.6
71.04988	5.7
79.05493	48.0
81.03416	12.5
81.07058	100.0
83.04971	7.3
83.08630	12.0
85.06538	3.5
91.05481	32.4
93.07045	36.1
95.04967	30.4
95.08602	33.8
96.02966	1.8
97.06520	5.1
97.10157	3.3
99.08092	2.2
105.07033	42.0
107.04955	8.9
107.08607	20.5
109.06511	27.9
109.10157	25.3
111.08060	4.3
117.07000	10.6
119.08578	36.7
121.06536	8.6
121.10135	15.0
123.08076	14.8
123.11709	8.7
125.09615	4.0
129.06990	3.2
131.08563	15.5
133.06497	2.1
133.10132	27.1
135.08046	9.3
135.11749	7.7
137.09636	11.0
137.13268	2.1
143.08476	2.6
143.88078	1.6
145.10112	10.9
147.11697	20.5
149.09567	11.1
149.13271	1.9
151.11198	11.3
155.08453	2.9
157.10133	2.9
159.11714	10.0
161.09586	2.2
161.13251	2.2
163.11186	8.2
165.12759	4.0
171.11707	2.6
173.13268	6.5
175.11179	2.6
175.14873	2.0
177.12743	4.1
179.60001	1.5
183.11758	2.1
189.12761	2.3
201.12753	3.1
205.15816	1.8
207.13925	2.3
219.13765	2.0
229.19475	2.0
237.14897	4.4
239.18054	3.6
247.20506	8.4
257.18918	7.9
275.20050	65.0
276.20404	2.9
293.21106	57.2
294.21344	2.6
314.83041	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03942	0.7
55.01868	1.8
55.05511	4.1
57.03440	0.3
57.06797	0.3
57.07077	5.7
65.03927	0.3
67.05504	4.8
68.05833	0.3
68.99796	0.5
69.03424	0.5
69.07072	2.5
71.01336	0.3
71.04984	0.7
71.08636	1.5
79.05493	4.2
81.03418	1.4
81.07057	5.3
82.07367	0.3
83.04989	1.4
83.08615	1.6
85.02882	0.2
85.06530	0.4
91.05473	3.1
92.05777	0.2
93.03382	0.3
93.07041	3.6
95.04967	5.5
95.08601	3.2
97.02911	0.2
97.06521	0.8
97.10158	1.1
97.87198	0.2
99.08093	0.9
105.07032	1.8
106.07330	0.3
107.04949	4.3
107.08585	1.7
108.05177	0.2
108.05746	2.2
109.02860	0.8
109.06514	2.7
109.10135	1.2
111.04443	2.6
111.08061	0.5
117.07034	1.0
119.08573	1.3
121.06504	9.6
121.10132	1.1
122.10420	0.2
123.08075	0.7
125.02403	0.4
125.05965	1.2
125.09608	0.7
129.05472	0.2
131.08545	1.4
133.10120	0.8
135.04424	0.7
135.08092	1.0
135.11716	0.4
137.02370	0.3
137.09610	0.3
139.03909	0.3
139.07529	0.3
143.08702	0.3
145.10114	0.9
147.08034	0.3
147.11693	0.3
149.09595	1.0
150.09840	0.3
151.07585	0.2
151.11176	1.7
153.05470	2.6
153.09009	0.3
159.08029	0.3
159.11685	0.5
163.03934	0.6
163.11182	1.0
164.11981	2.0
165.12781	1.6
167.10654	0.4
171.97551	0.2
173.13213	0.4
175.07553	0.4
177.05495	0.2
177.09091	0.4
177.12737	2.0
181.04921	3.2
181.12254	0.6
183.11670	0.3
186.02107	0.2
191.10654	3.3
191.14319	0.2
195.10202	1.1
203.07059	0.2
209.11726	7.3
219.10161	1.3
220.34885	0.2
223.13367	0.4
237.11203	12.4
237.14679	1.1
238.11661	0.5
265.18027	0.8
275.20099	1.4
276.09662	0.3
286.48883	0.2
293.21091	100.0
293.54752	0.2
294.21466	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	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03943	1.6
55.01879	2.8
55.05511	9.4
57.03440	17.9
57.07065	6.2
61.44386	1.0
65.03934	1.8
67.05504	23.3
69.03422	1.4
69.07072	10.5
70.32197	3.2
71.04984	1.5
71.08635	1.0
79.05494	22.8
81.03430	4.1
81.07055	26.0
83.04987	9.1
83.08624	5.0
85.06547	3.3
91.05479	26.0
93.07043	26.5
95.04979	8.0
95.08611	18.8
97.06518	4.5
97.10162	1.9
99.04471	2.0
99.08109	1.1
103.05473	1.4
105.07032	20.5
107.04951	5.6
107.08594	15.9
109.06516	6.0
109.10140	6.8
111.04449	2.8
111.08102	2.6
117.07015	10.8
119.08575	14.7
119.09355	1.4
119.72697	1.0
121.06509	4.4
121.10140	9.9
123.08074	4.7
123.11710	2.6
125.08826	1.0
125.09627	2.4
129.07019	3.7
131.08566	14.0
131.09485	1.0
133.10121	9.0
135.04408	1.1
135.08086	6.6
135.11700	6.0
137.09622	4.2
139.07588	1.0
143.08607	2.9
145.10107	8.1
147.11703	3.3
149.09610	4.8
149.13287	2.1
151.11179	3.1
153.05447	1.8
155.08514	1.3
157.10162	1.1
159.11687	5.4
161.13283	2.5
163.11177	2.9
165.12831	1.3
170.11897	1.1
171.11758	1.4
173.13332	3.5
175.14897	1.5
177.05516	0.9
177.12741	2.3
181.04976	3.3
185.13278	3.7
191.10721	3.1
201.16411	5.4
203.14362	4.8
209.11737	6.3
219.17438	100.0
220.17778	5.1
221.15407	3.7
237.11151	8.1
239.17996	1.0
257.19083	4.4
259.22943	1.0
275.20047	20.2
276.20465	1.4
277.21503	1.2
293.09229	1.0
293.18134	2.1
293.21149	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	293.2108
Annotation	12-OPDA
Peak:m/z	Relative Intensity
52.38785	4.6
53.03950	38.9
55.01880	32.6
55.02111	6.4
55.05510	40.2
57.03437	9.1
57.07070	12.7
64.66348	5.3
65.30035	5.4
67.05507	88.4
69.07069	67.5
69.61262	21.2
71.05019	8.1
79.05493	64.1
81.03422	70.5
81.07056	100.0
83.04977	14.4
83.08629	10.2
91.05482	69.5
93.07039	55.6
95.01324	11.5
95.04980	31.4
95.08607	57.2
97.06507	40.6
97.10155	11.5
105.07034	87.4
107.04945	34.2
107.08584	34.2
109.06527	20.8
109.10168	17.0
111.04440	8.0
117.07022	21.9
119.08578	49.2
121.06498	10.3
121.10160	12.6
123.08090	26.0
123.11626	5.9
128.81555	4.7
131.08586	30.1
133.10120	71.5
135.11713	17.9
137.09589	9.4
141.06976	5.2
143.08478	7.5
145.06493	8.1
145.10127	24.8
147.11702	17.4
149.09633	14.5
149.13295	9.2
159.11728	10.9
163.11235	6.2
169.10069	8.0
173.13289	11.1
177.12860	5.9
179.14294	19.1
182.11363	4.7
183.11693	6.8
187.11215	12.6
195.13815	7.5
197.13376	5.4
197.29808	6.0
212.35034	5.2
219.17451	12.4
237.11266	5.1
247.20776	6.2
255.13016	5.8
257.18961	8.2
275.20041	87.0
276.20316	11.5
293.17966	8.2
293.21112	68.1
294.36356	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	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03943	6.9
55.01872	69.3
55.05505	38.1
56.41862	3.2
57.03440	3.7
57.07066	6.5
67.05502	50.0
69.03419	5.0
69.07066	25.0
69.48096	17.6
70.26083	3.2
71.04990	3.3
75.57104	3.4
79.05489	62.3
79.50844	3.4
81.03408	6.3
81.07052	42.9
83.04972	12.4
83.08619	11.4
85.06557	4.4
91.05472	28.2
93.07037	30.6
95.04980	20.7
95.08598	22.1
97.06526	100.0
97.10164	18.0
98.22597	7.5
105.07003	25.4
107.04949	30.1
107.08584	41.8
109.06503	9.8
109.10147	18.4
111.04427	5.8
111.08064	5.2
117.07011	9.9
119.08591	20.4
121.06468	7.6
121.10119	18.4
123.08083	7.6
123.11671	7.3
125.09626	18.0
131.08533	12.8
133.10104	20.2
135.08054	7.7
135.11658	4.2
137.09628	8.4
139.07530	4.8
145.10114	12.3
147.11664	7.6
149.09618	45.0
151.11208	5.2
152.41452	3.7
159.11702	10.1
161.09636	4.2
161.13202	6.6
163.11191	7.9
164.38870	3.6
165.09114	5.5
173.11813	3.7
173.13188	7.7
177.12720	9.1
179.14307	7.8
187.11200	4.5
189.11209	13.4
191.10628	5.0
209.07011	3.4
209.11725	8.5
229.19415	6.9
233.11658	4.1
237.11200	18.4
247.20589	10.3
257.19003	15.6
275.20068	86.2
293.21249	21.8
312.63303	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03951	3.9
55.01877	10.2
55.05517	29.9
57.03441	1.8
57.07088	1.2
59.05012	1.3
65.03950	2.2
67.05509	24.2
69.03439	1.1
69.07068	12.0
69.15070	6.8
70.04084	1.1
71.04996	2.4
77.03910	0.9
79.05499	50.7
80.05823	1.7
81.03409	4.7
81.07063	22.5
83.04572	1.0
83.04982	5.0
83.08624	15.3
85.06543	2.1
85.77949	0.8
91.05486	28.4
93.07047	26.0
95.04985	6.1
95.08610	13.3
97.06541	7.7
97.10180	22.9
105.07038	34.9
106.07395	1.1
107.04953	9.1
107.08603	100.0
108.08971	2.3
109.06525	6.5
109.10166	8.5
111.08086	1.1
117.07024	7.0
119.06102	3.2
119.08595	15.0
121.06535	2.2
121.10164	7.3
123.08089	2.7
123.11729	2.3
125.09632	19.1
129.07050	1.5
131.08580	11.8
133.06503	1.1
133.10150	19.3
135.08061	5.8
135.11696	5.9
136.08382	1.1
137.09641	2.4
139.11168	0.9
141.07007	1.2
143.08546	2.0
143.10715	1.5
145.10144	11.5
147.11694	12.5
149.09624	15.6
149.13254	1.3
151.11183	2.7
152.57117	0.8
153.09172	2.8
153.12776	1.6
155.08536	1.3
157.10139	2.1
159.11679	6.0
161.13190	4.2
161.80266	0.9
163.11183	3.6
165.09171	3.3
165.66388	1.0
169.10155	2.0
171.10243	1.3
171.11707	3.1
173.11897	1.3
173.13309	3.7
177.12814	1.2
179.14410	1.0
181.12260	2.9
183.11801	2.0
189.11214	14.6
189.12825	1.2
197.13339	1.4
211.14891	1.0
219.13666	1.0
229.19563	3.4
239.17961	2.7
247.20558	3.2
257.19067	10.4
275.20078	67.9
276.20462	3.6
293.21225	9.2
293.27875	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03938	3.6
53.61166	1.4
55.01873	12.4
55.05512	23.2
57.03447	4.2
57.07055	3.5
67.05502	33.3
67.05841	2.6
69.03425	4.1
69.07069	20.2
71.04992	1.9
71.08635	1.7
79.05494	40.8
81.03416	6.1
81.07056	41.5
83.04984	8.4
83.08617	11.7
85.06538	4.8
91.05483	29.8
93.07050	33.7
95.04964	11.7
95.08607	24.4
97.06547	12.2
97.10177	11.0
98.22650	4.0
105.07038	28.6
107.04949	11.4
107.08596	54.3
109.06535	10.6
109.10152	15.3
111.08096	4.5
115.05470	1.7
117.07025	10.4
119.08595	19.4
121.06491	6.3
121.10147	13.6
123.08086	7.7
123.11714	4.5
125.09621	9.4
129.06992	3.2
131.08557	16.9
133.10146	19.5
135.08069	5.2
135.11668	6.7
137.09644	4.4
143.08591	2.8
145.10149	10.6
147.08052	1.8
147.11690	11.0
149.09618	17.1
149.13293	3.7
151.11209	9.6
156.17090	1.7
157.10097	2.4
159.11752	9.5
161.09697	2.1
161.13235	2.7
163.11211	5.4
163.14777	2.4
165.09178	4.2
165.12738	1.7
169.10156	2.4
171.11609	3.6
173.13301	6.0
175.11198	1.8
177.12775	3.1
177.77483	1.5
179.14432	1.7
183.11797	2.1
187.11247	3.5
189.11223	6.0
189.12733	1.8
197.13199	2.4
201.12752	3.5
219.17497	3.6
229.19516	3.5
233.18944	2.2
239.17868	2.8
247.20601	8.4
257.19067	11.5
275.20074	100.0
276.20422	4.5
293.11667	6.8
293.14862	2.5
293.21301	18.1
300.66620	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
53.03947	1.1
55.01870	1.6
55.05514	10.3
55.08753	0.7
57.03434	1.8
57.07068	3.2
59.04992	2.2
65.03887	0.9
67.05505	14.8
69.03429	6.5
69.07069	7.8
70.20705	1.7
70.21035	1.5
71.04989	3.0
74.82839	0.8
77.03897	1.2
79.05494	9.1
81.03413	1.0
81.07056	16.6
83.04980	8.2
83.08617	3.8
85.02940	0.8
85.06542	4.7
91.05489	6.2
92.74607	0.7
93.07044	15.8
95.04967	12.6
95.08048	1.1
95.08613	12.6
97.06532	5.5
97.10167	2.9
99.08125	1.5
101.06023	5.6
103.05430	1.2
105.07028	10.9
107.04944	3.8
107.08594	16.3
109.06512	7.2
109.10150	13.0
109.10828	1.2
111.04432	1.6
111.08072	3.6
113.06031	1.6
113.09631	1.9
113.52747	0.8
117.07011	2.9
119.08582	7.4
120.04445	1.1
121.02893	1.1
121.06498	11.6
121.10146	19.6
123.04430	29.0
123.08044	4.6
123.11691	6.8
124.04822	0.7
125.05929	1.0
125.09626	7.7
127.07544	2.6
129.06978	1.4
131.04930	0.8
131.08548	6.4
133.06514	0.8
133.10127	8.1
135.08055	10.3
135.11682	4.2
137.05965	2.3
137.09602	4.3
137.13336	0.7
139.11159	1.8
143.08582	0.9
144.09412	0.8
145.10146	5.1
147.08011	2.0
147.11684	5.4
149.02327	5.9
149.06017	2.4
149.09613	7.1
149.13246	3.1
151.07611	0.8
151.11203	3.3
153.09100	6.2
155.08556	0.8
157.10110	1.9
159.08054	1.7
159.11720	6.2
161.09619	3.3
161.13242	2.1
163.11177	3.2
163.14813	1.9
165.07014	1.5
165.09126	1.6
165.12741	1.4
167.08568	0.8
167.10651	2.7
169.10075	0.7
169.19475	0.7
171.11810	1.6
173.09645	1.5
173.13292	6.7
175.07582	1.8
175.11238	2.4
175.14838	1.5
177.09096	1.1
177.12738	1.7
179.10666	15.1
181.12193	1.7
183.11694	1.0
185.06021	0.7
187.11201	1.8
187.14777	2.7
189.12750	2.2
189.16377	0.8
191.08533	0.9
191.10611	0.8
191.14290	5.6
193.12222	1.9
194.07195	0.8
195.08054	1.0
201.12755	3.2
203.07013	1.0
203.14267	1.3
205.12285	1.5
209.09589	1.2
209.15302	1.1
211.07513	1.7
215.14214	1.8
215.18063	1.0
217.15869	1.7
219.13835	3.1
221.06001	1.8
229.19630	1.4
233.15399	2.8
235.07555	1.4
235.75470	0.7
236.08182	1.6
237.09128	3.3
237.12776	1.0
239.06874	1.6
239.18016	0.9
251.07022	1.8
257.18994	3.2
264.07776	1.6
265.08313	0.8
265.12344	1.8
275.20053	31.9
276.20432	2.2
278.09406	1.1
293.08347	1.1
293.11755	12.2
293.21100	100.0
294.12277	0.9
294.21426	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03938	7.3
55.01874	14.7
55.05513	45.3
57.03430	5.2
57.07064	4.1
59.04977	2.1
65.03930	3.5
67.05505	67.5
68.05820	2.1
69.03410	4.9
69.07066	40.9
69.53081	7.7
71.04997	4.6
71.08645	2.8
71.56495	1.4
74.46162	1.5
79.05497	62.8
79.05963	3.1
81.03412	10.4
81.07056	82.9
83.04985	13.1
83.08620	23.6
85.02884	1.7
85.06547	7.4
91.05478	47.5
93.07042	49.7
95.04967	16.7
95.08608	54.8
95.47355	1.4
97.06522	14.4
97.10175	21.4
98.97542	1.5
99.08097	3.8
102.30571	1.3
105.04562	1.8
105.07031	37.9
106.07404	2.2
107.04951	14.6
107.08594	55.0
109.06507	18.4
109.10159	29.0
111.04413	2.1
111.08072	7.8
111.11725	2.4
115.05446	2.3
117.07016	11.4
119.08575	27.4
121.06515	7.8
121.10152	22.4
122.09684	2.0
123.08086	11.6
123.11703	13.0
125.09641	18.0
125.13275	1.9
129.06982	2.8
131.08563	16.3
133.06480	2.4
133.10132	25.8
135.08070	7.6
135.11685	10.9
137.09616	11.2
137.13280	2.7
139.11153	4.7
141.06992	1.7
142.07751	1.9
143.08517	3.4
145.06491	2.2
145.10121	16.3
147.08017	3.7
147.11688	19.7
149.09621	19.5
149.13274	5.7
151.11148	7.8
151.14786	1.7
152.06172	1.8
155.08614	1.5
157.10126	4.9
159.11670	13.7
161.09636	3.6
161.13263	5.7
163.11185	12.1
163.14807	2.5
165.06999	2.6
165.09077	7.3
165.12747	3.2
167.08543	2.2
167.10645	1.7
169.10063	2.8
171.11688	2.6
173.09615	2.8
173.11913	2.0
173.13150	8.2
175.11238	3.6
175.14763	2.3
177.12737	3.3
187.11157	4.6
187.14755	3.0
189.11191	11.4
191.08504	1.8
191.14369	4.0
192.17430	1.9
193.06406	1.8
194.07245	1.6
197.13193	2.8
201.12794	2.0
205.12193	2.2
207.07932	2.0
209.09651	3.0
211.07602	4.9
219.13799	2.3
219.21175	1.8
221.06091	2.7
223.07530	2.1
223.11287	1.9
223.13295	3.1
223.28688	1.7
229.19539	5.2
233.15388	1.7
235.07509	2.3
237.09128	7.8
237.14772	2.3
239.07011	4.8
239.17946	5.9
247.20615	6.3
249.05534	1.9
249.09177	1.7
251.07095	4.7
251.10561	2.6
257.19000	14.8
264.07788	5.0
265.12311	3.7
275.20053	100.0
276.20389	4.5
293.11719	21.6
293.15408	6.8
293.21048	35.7
293.28284	10.5
294.21167	1.9
305.20700	1.9
311.41565	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03944	4.9
55.01873	10.4
55.05512	24.4
57.03423	5.2
57.07076	5.6
65.03936	1.9
67.05505	37.9
69.03426	2.1
69.07070	20.8
71.04997	4.8
74.24776	1.6
79.05492	43.3
81.03421	8.5
81.07059	43.1
82.07390	2.1
83.04990	6.6
83.08626	12.6
85.06536	5.2
91.05481	31.3
93.07050	34.5
94.07392	2.0
95.04958	12.7
95.08606	27.0
97.06539	13.1
97.09634	1.8
97.10165	10.1
105.07027	33.5
107.04937	11.0
107.08595	51.2
109.06522	13.2
109.10159	16.1
111.08094	4.8
117.07011	12.0
119.08585	19.5
121.06515	7.5
121.10152	17.0
123.08076	6.3
123.11707	5.1
125.09644	10.5
129.07025	3.2
131.08580	15.2
133.06500	2.2
133.10117	20.7
133.11055	1.8
135.08080	7.4
135.11696	12.1
137.09622	4.5
141.07021	3.7
143.08577	3.7
145.10129	14.0
147.11659	11.3
149.09641	17.2
149.13245	2.7
151.07475	2.0
151.11140	9.6
157.10124	4.4
159.11720	8.7
161.09694	3.3
161.13280	3.0
163.07632	1.6
163.11169	9.2
163.14867	2.1
165.07062	2.1
165.09164	8.4
169.10085	3.3
171.11676	3.0
173.13318	6.6
175.11224	2.3
177.12851	3.9
177.16501	2.3
179.08690	1.9
185.13324	2.0
187.14862	3.2
189.11243	7.3
192.73210	1.7
201.12848	1.9
219.17403	5.0
229.19548	4.4
237.09052	2.4
239.17957	4.2
247.20639	12.0
257.19012	11.9
267.41721	1.5
275.20056	100.0
276.20392	5.0
293.11676	6.2
293.14905	3.4
293.21204	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	293.2473
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03951	1.7
55.01882	0.8
55.05511	8.9
57.07082	2.5
59.04998	0.6
65.03933	3.1
67.05504	100.0
68.05843	1.5
69.03440	0.4
69.07070	9.2
71.04999	0.9
71.08627	0.8
77.03956	0.3
78.92055	0.5
79.05013	0.6
79.05140	0.3
79.05490	16.0
81.07054	94.3
82.07399	2.0
83.04988	1.5
83.08616	5.3
85.06536	2.4
91.05477	7.3
91.06020	0.7
93.07044	14.9
95.04981	1.6
95.08605	72.5
96.08957	1.8
97.06546	2.4
97.10180	2.3
99.08106	1.4
105.07031	6.1
107.08592	10.3
107.09292	0.7
109.06526	1.3
109.10153	28.5
110.10526	0.7
111.08089	1.3
111.11742	0.7
117.07010	2.5
119.08582	5.9
121.06501	0.9
121.10138	7.8
123.08073	1.6
123.11703	14.1
125.09598	0.4
125.58012	0.5
127.07517	0.4
128.06145	0.4
129.06985	0.5
129.09074	0.5
130.07820	0.4
131.08557	6.3
133.10146	3.2
135.08061	0.6
135.11687	6.1
137.09613	1.1
137.13240	7.0
139.11108	1.0
143.08569	1.3
145.10114	4.8
147.11684	2.7
149.09596	2.1
149.13278	3.3
151.11166	1.2
151.14825	2.8
155.08577	0.5
155.10681	0.6
157.10132	0.9
159.11664	4.6
161.13228	3.3
163.11189	2.3
163.14812	3.6
165.12762	1.5
165.16385	1.1
169.10158	0.5
173.13232	5.1
175.14876	0.6
177.12801	2.3
177.16386	1.9
179.08557	0.6
179.14354	1.0
183.11723	0.4
187.14847	2.2
191.14310	1.9
192.60754	0.4
195.11656	0.4
195.13814	0.5
201.16414	0.6
205.15874	0.8
209.11632	0.5
209.13368	0.6
209.15317	0.7
219.21060	1.1
223.16927	0.7
233.22559	0.6
237.11105	1.1
237.18513	1.0
238.68861	0.4
243.21049	4.4
261.22183	4.8
293.18347	0.8
293.21143	2.6
293.24686	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	294.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.8
60.36648	1.8
66.73267	1.6
68.95164	1.9
69.03433	14.7
69.53160	3.0
69.53563	5.4
79.37550	1.6
85.02922	7.9
97.02894	36.9
98.23251	2.7
104.73844	1.8
115.03932	100.0
143.55115	1.7
272.71912	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2064
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
52.87381	0.2
55.01878	0.4
55.05499	0.3
57.07068	0.7
58.02943	0.3
66.04720	0.3
66.50752	0.2
67.05513	1.2
69.07069	0.4
70.59946	0.5
71.08640	0.4
76.32477	0.2
77.19461	0.2
79.05502	1.1
79.05869	0.2
81.07061	2.3
88.53886	0.2
90.57722	0.2
91.05464	1.2
93.07051	0.5
94.04180	2.4
95.04961	0.4
105.07037	0.5
107.04939	0.6
107.08589	0.3
108.08936	0.5
109.06522	0.9
121.83298	0.2
122.03651	8.0
123.11686	1.7
125.05982	0.2
128.28873	0.2
137.05977	100.0
138.06323	2.1
158.15417	1.8
170.15398	2.0
173.13339	0.2
182.57191	0.2
192.10928	0.3
210.12033	0.5
236.67468	0.3
237.11311	0.3
238.11584	0.9
276.20422	0.7
294.20837	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08022	0.2
55.01867	0.3
55.05505	0.6
57.07070	1.5
58.11264	0.2
61.36783	0.2
63.70409	0.2
64.29069	0.2
66.04719	0.5
67.05499	1.2
68.30876	0.2
69.07062	0.5
70.77475	0.5
71.04974	0.2
71.08642	1.0
79.05478	1.1
81.03448	0.2
81.06741	0.2
81.07066	1.9
82.54834	0.3
83.08630	0.3
85.06462	0.2
88.07618	0.3
91.05476	1.6
93.07034	0.8
94.04180	2.5
95.04980	0.2
95.08614	0.3
97.06518	0.3
97.10146	0.2
105.07067	0.5
106.07367	0.3
107.04958	0.6
107.08592	0.6
108.08925	0.6
109.06508	0.8
109.10164	0.4
119.08586	0.4
121.10171	0.3
122.03651	7.5
122.10548	0.3
123.11707	0.5
125.09636	0.4
131.08521	0.3
133.10124	0.2
137.05977	100.0
138.06331	1.6
141.12743	2.2
158.15410	1.6
170.15462	0.4
248.21077	0.2
276.20401	0.9
279.73557	0.2
294.20917	0.7
318.17249	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1024
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03960	2.8
55.01902	3.2
57.03439	55.9
57.40599	2.9
61.02931	13.0
69.03433	67.1
69.18882	21.2
71.01366	10.1
72.71111	2.5
73.02921	100.0
77.03897	2.9
79.05498	5.5
81.03399	6.4
85.02908	81.7
87.04500	5.0
97.02898	76.5
97.03516	3.9
98.22596	5.8
99.04430	5.1
105.03401	38.4
105.06976	3.0
106.39979	3.0
107.04993	6.0
109.02882	7.8
115.03931	57.5
116.04305	3.1
120.04478	4.5
127.03903	22.9
133.02864	62.9
133.04988	21.1
134.01389	2.5
145.04984	11.4
151.03931	11.7
163.06039	5.2
207.77757	2.5
223.06081	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59087	0.2
52.40335	0.2
55.01851	0.3
57.03434	2.3
57.04551	0.8
61.02924	0.5
67.05507	0.4
69.03430	3.5
70.06558	0.3
71.01356	0.3
71.28621	0.2
71.29107	0.3
73.02915	4.0
79.05474	0.3
80.54630	0.2
81.03451	0.5
85.02905	3.7
87.04454	0.4
88.03996	0.5
93.07072	0.3
94.04052	3.1
94.06566	0.7
95.04936	0.3
96.05621	0.4
97.02893	3.0
99.04484	0.3
103.05429	0.3
104.03472	0.3
105.03381	0.6
106.04018	0.2
109.02885	0.5
112.05094	0.4
115.03922	3.0
119.03518	0.3
121.05026	0.2
123.06696	2.0
127.03904	0.8
131.04945	0.7
132.95816	0.3
133.02844	1.0
133.04987	1.6
135.05444	0.5
145.04958	0.8
146.06018	1.4
148.06123	0.3
150.07751	100.0
151.03893	0.4
151.08173	1.8
163.06151	0.3
174.05479	0.5
174.96970	0.3
188.10411	0.2
202.03497	0.2
214.54381	0.2
216.66380	0.2
221.06021	0.4
249.05165	0.2
251.18085	0.3
277.14661	0.2
295.06012	0.4
295.11404	2.3
295.16483	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1023
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
51.92816	3.8
57.03440	61.2
59.05000	5.8
61.02919	13.4
67.05515	3.9
69.03435	67.5
69.07097	5.2
71.01366	11.3
71.04996	8.8
73.02918	100.0
77.03914	6.0
79.05499	11.8
81.03429	6.6
81.07050	7.6
85.02911	78.5
86.60351	3.3
87.04485	10.3
88.03980	4.7
91.03976	3.3
91.05496	5.5
93.07045	7.4
95.04943	5.6
95.08596	8.1
97.02890	77.8
99.04453	8.4
101.02380	3.7
105.03403	59.4
105.07051	5.2
107.04967	5.0
107.08619	4.2
109.02876	9.9
109.10159	6.8
115.03934	60.5
119.08567	4.5
121.10145	6.9
123.04440	5.6
125.44061	3.2
127.03920	23.7
133.02866	93.8
133.04935	21.8
145.04959	14.6
146.05994	5.5
147.08026	4.9
147.49248	3.2
151.03937	14.7
163.07713	3.4
174.60573	3.2
221.06262	3.2
264.53772	3.8
295.08435	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	295.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87667	0.5
53.03941	1.3
55.01866	1.7
55.05503	2.4
56.58599	0.6
57.03437	53.6
57.07082	0.6
59.04996	2.2
61.02926	14.5
65.35357	0.5
67.05505	2.0
68.79963	0.5
68.90053	0.6
69.03429	54.9
69.07062	2.8
70.03751	0.7
70.30935	1.1
70.95790	0.5
71.01357	11.4
71.04977	1.3
73.02917	100.0
74.03254	1.1
79.05502	1.0
81.03410	4.2
81.07062	2.9
83.04995	0.6
83.08617	0.7
85.02905	70.1
85.06531	0.6
86.03233	1.1
87.04477	5.0
91.03954	1.6
91.05475	1.1
93.07068	1.7
95.04979	0.9
95.08595	2.3
97.02892	63.6
97.06544	1.5
97.10169	3.5
98.03218	1.3
99.04446	3.2
103.03942	1.3
105.03397	1.8
105.07043	1.0
107.08604	1.3
109.02866	4.1
109.10155	2.5
113.37155	0.6
115.03928	56.9
116.04272	1.7
119.08617	0.7
121.10126	0.8
123.08067	0.9
123.52165	0.5
125.02374	0.5
127.03909	14.2
127.04784	0.9
133.02892	2.7
133.03964	1.3
133.04958	16.4
133.10146	0.6
133.76073	0.6
133.90265	0.5
135.11728	0.8
139.11197	1.9
145.04955	13.9
151.03879	0.6
157.05078	0.6
163.05984	4.8
165.09230	0.6
169.04988	0.7
193.05023	1.5
223.06013	1.8
236.00917	0.5
241.07146	2.4
259.08173	0.7
261.72876	0.5
263.19211	0.5
277.21680	0.7
295.09940	1.1
295.22751	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01865	1.6
57.03440	28.9
59.04981	1.1
61.02934	7.1
67.05511	1.2
69.03432	29.4
70.54002	1.8
71.01356	4.9
71.04993	1.5
73.02921	55.7
79.05470	1.5
81.03423	13.3
85.02909	40.8
87.04456	2.9
88.03992	4.3
91.05475	4.3
93.07034	1.3
94.06580	4.8
95.04964	4.2
97.02897	39.4
97.06536	1.7
99.00803	1.3
99.04459	3.3
109.02884	16.9
111.04487	1.5
115.03936	31.8
115.04745	1.6
119.04951	10.1
120.04502	1.2
120.08067	2.0
121.02869	10.1
123.08065	1.0
127.03928	7.9
133.02847	2.6
133.04979	9.2
135.08058	1.1
145.04974	5.7
146.06026	11.8
149.02328	2.1
163.03943	1.4
163.06012	2.2
167.03400	1.6
174.04056	1.8
174.05519	4.5
176.01042	1.1
177.01837	15.8
177.39066	1.2
195.02907	30.2
196.03268	1.3
202.03473	1.1
221.05975	2.8
223.06017	1.2
241.07056	1.6
249.05614	1.4
250.97382	1.1
259.13245	1.8
267.06491	3.1
277.11774	1.4
277.14496	1.2
295.06015	100.0
295.16177	2.1
296.06543	7.3
296.09763	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1022
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03939	2.9
55.01859	4.2
55.05502	1.5
57.03159	2.0
57.03438	38.9
59.05002	1.7
61.02936	9.9
65.03927	1.9
67.05488	1.6
69.03427	41.1
69.07053	2.2
69.37762	7.9
70.02919	1.2
70.06590	1.1
70.53867	1.0
71.01353	8.3
71.04977	1.4
73.02918	78.8
75.84436	1.0
81.03416	12.3
81.07048	2.4
83.04980	1.3
85.02906	52.8
86.03198	1.2
87.04477	5.8
88.03980	4.9
89.54343	1.1
91.03938	2.5
91.05460	6.2
93.03399	1.6
93.07045	2.2
94.06573	6.6
95.04968	6.5
95.08604	2.2
96.04488	1.2
97.02894	50.6
97.06525	3.6
98.03230	1.2
98.06133	1.0
98.06847	2.7
98.22643	1.6
99.04450	3.5
103.03954	1.8
105.03349	2.3
107.04954	3.0
107.08590	1.5
108.08179	1.4
109.02882	16.5
109.10130	1.9
109.61642	1.2
111.04381	1.6
115.03927	49.3
118.06500	1.1
119.04952	10.1
120.04449	1.8
120.08117	2.6
121.02871	7.9
121.72307	1.1
123.04418	1.5
123.08060	1.3
124.07617	2.4
127.03909	14.3
133.02843	3.4
133.04962	13.9
135.04446	2.0
136.07603	2.4
137.05994	1.0
141.06953	1.3
145.04970	10.1
146.06010	12.7
149.02397	1.2
150.07806	1.5
151.03888	2.4
163.05983	2.9
163.11176	2.2
164.07091	2.8
165.06961	2.9
167.03377	1.4
172.10359	1.0
174.04037	1.3
174.05492	3.3
177.01822	13.3
179.08528	1.6
189.08968	1.5
193.04999	1.3
195.02881	30.1
202.03415	1.7
207.08089	1.4
214.17302	1.3
221.06012	4.3
223.05896	1.4
232.10403	2.7
235.07469	2.0
239.46857	1.4
241.07072	2.2
249.05627	1.5
249.13036	2.6
259.13281	2.0
263.07016	1.6
267.06595	2.4
277.11728	3.2
277.14484	2.3
278.11069	1.6
295.06009	100.0
295.12869	5.3
295.16299	4.5
296.06433	7.6
301.86084	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59087	0.2
52.40335	0.2
55.01851	0.3
57.03434	2.3
57.04551	0.8
61.02924	0.5
67.05507	0.4
69.03430	3.5
70.06558	0.3
71.01356	0.3
71.28621	0.2
71.29107	0.3
73.02915	4.0
79.05474	0.3
80.54630	0.2
81.03451	0.5
85.02905	3.7
87.04454	0.4
88.03996	0.5
93.07072	0.3
94.04052	3.1
94.06566	0.7
95.04936	0.3
96.05621	0.4
97.02893	3.0
99.04484	0.3
103.05429	0.3
104.03472	0.3
105.03381	0.6
106.04018	0.2
109.02885	0.5
112.05094	0.4
115.03922	3.0
119.03518	0.3
121.05026	0.2
123.06696	2.0
127.03904	0.8
131.04945	0.7
132.95816	0.3
133.02844	1.0
133.04987	1.6
135.05444	0.5
145.04958	0.8
146.06018	1.4
148.06123	0.3
150.07751	100.0
151.03893	0.4
151.08173	1.8
163.06151	0.3
174.05479	0.5
174.96970	0.3
188.10411	0.2
202.03497	0.2
214.54381	0.2
216.66380	0.2
221.06021	0.4
249.05165	0.2
251.18085	0.3
277.14661	0.2
295.06012	0.4
295.11404	2.3
295.16483	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1023
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
50.29562	1.4
53.03946	2.2
55.01852	2.1
55.05498	7.0
57.03433	54.9
59.04995	2.3
61.02919	12.6
67.05492	6.0
69.03426	66.4
69.07062	10.1
70.64375	3.5
71.01353	11.4
71.04973	2.4
73.02914	100.0
79.05491	5.0
80.04967	1.4
81.03422	5.5
81.07047	11.0
83.08624	1.9
85.02901	78.1
85.06554	1.8
87.04462	4.4
91.05496	2.6
93.07037	5.0
93.73400	1.4
95.04982	3.0
95.08608	10.1
97.02888	63.2
97.06517	2.8
97.10172	6.0
99.04446	3.4
105.03370	4.0
105.07059	2.7
107.08600	4.9
109.02888	5.3
109.10146	7.5
111.11693	1.6
115.03918	60.3
121.10146	1.8
123.07999	2.0
123.11709	2.5
125.09609	2.0
127.03899	14.3
129.07037	2.0
131.08551	1.6
133.02843	6.8
133.04926	15.7
133.10184	2.3
135.11708	1.6
137.09593	4.4
139.11163	3.7
139.47720	1.6
145.04942	14.7
147.11723	2.0
151.03871	2.1
163.05997	3.0
223.05962	3.2
235.08615	2.1
241.07182	2.9
267.13870	1.8
295.10062	2.4
295.13260	9.0
295.22592	4.3
309.72849	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1024
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03955	2.1
55.01876	2.3
55.05509	2.9
56.51506	1.0
57.03439	56.9
58.03762	1.3
59.05003	2.7
61.02930	13.7
66.11954	1.1
67.05514	5.0
69.01120	6.6
69.01537	3.7
69.03430	61.5
69.07062	3.3
71.01364	12.5
71.04989	2.9
73.02920	100.0
79.03985	1.0
79.05503	5.0
79.34542	1.1
81.03425	4.4
81.07060	8.6
83.01385	0.9
83.05032	1.3
83.08623	1.4
84.08078	1.1
85.02907	75.1
86.03265	1.4
87.04472	4.9
91.03948	1.6
91.05489	2.2
93.07052	4.5
95.04970	1.3
95.08618	8.6
97.02894	68.3
97.06552	3.4
99.04482	3.7
103.03932	1.4
105.03388	2.3
105.07055	2.6
107.04984	1.2
107.08598	2.8
109.02885	4.1
109.06528	1.2
109.10175	4.5
115.03930	60.3
119.08598	2.4
121.10168	2.3
127.03929	14.6
133.02856	4.3
133.04971	16.3
135.11725	2.4
145.04967	14.8
151.03920	1.3
161.13193	1.8
163.06053	3.5
181.06540	1.3
223.06003	2.1
239.10707	2.0
241.06989	2.4
267.10092	1.5
277.21735	2.1
295.09894	2.6
295.13284	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	295.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.01868	3.6
55.05503	2.2
57.03444	7.0
59.79194	0.9
61.02922	10.8
66.60866	0.9
69.03427	20.3
69.07068	11.3
69.14774	6.4
71.04988	2.3
71.80948	0.8
73.02901	5.3
73.06528	0.9
81.03408	6.7
83.04990	2.9
85.02903	100.0
86.03258	1.3
87.04469	1.9
87.08100	12.0
87.90659	1.0
91.03948	5.1
97.02894	21.9
99.03873	0.9
99.04422	4.2
101.02405	1.2
105.09148	0.8
109.02875	7.2
115.03992	1.7
125.02273	1.0
127.03902	19.5
143.12007	0.9
145.04956	19.6
150.07758	1.3
163.06073	3.1
170.91463	0.9
244.45103	1.1
260.88062	1.0
295.16599	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47543	1.3
52.64434	1.6
53.03952	7.6
55.01873	9.7
55.05508	25.4
57.03436	33.5
57.07067	4.1
65.03942	2.2
67.05503	77.5
69.03428	2.6
69.07065	18.2
69.40984	8.4
71.04986	4.8
71.08652	2.6
73.02895	2.3
77.03942	2.1
79.05493	75.2
81.03435	5.2
81.07055	69.8
83.04980	15.8
83.08623	6.6
85.06556	9.8
87.63902	1.5
91.05479	100.0
92.05782	2.1
93.07040	93.8
94.07362	1.8
95.04961	13.8
95.08604	50.7
97.06531	28.6
97.10180	3.8
99.08089	4.1
103.03966	3.6
103.05519	2.7
105.04507	2.2
105.07032	39.5
105.47707	1.6
107.04929	1.9
107.08596	25.8
109.06532	8.0
109.10169	15.7
111.08095	5.8
117.07023	26.3
119.08580	97.2
120.08915	2.4
121.06504	7.6
121.10137	21.6
123.08078	10.0
125.09640	3.6
128.06239	5.0
129.05496	10.0
129.07014	15.5
131.08563	25.5
133.06482	4.3
133.10120	22.9
135.08049	8.9
135.11684	3.0
137.09605	15.7
142.07756	3.6
143.08560	22.7
145.10110	6.1
145.11153	1.5
147.11690	10.9
149.09608	2.1
149.13240	4.4
155.08568	2.3
157.10158	12.4
159.11676	20.9
161.09573	4.1
161.13281	16.9
165.12724	2.7
169.10078	2.0
171.11624	2.2
173.13234	8.9
175.11240	5.7
175.14818	22.1
177.12848	2.8
181.10213	1.6
183.11729	2.5
185.13255	45.0
186.13745	2.1
193.92494	1.5
195.11740	1.9
197.06358	1.6
199.14899	2.0
203.14314	25.7
209.13329	2.4
212.95343	1.9
221.13248	2.3
221.15410	4.6
267.21002	1.7
277.17914	1.6
277.21600	5.6
295.13348	3.0
295.18823	37.0
295.31137	2.9
296.19321	2.6
305.80457	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	2.3
53.03939	8.3
53.19981	2.9
55.01864	7.3
55.05516	37.2
57.03436	5.7
57.07073	5.5
65.03931	4.9
67.05505	38.1
69.03423	3.1
69.07080	27.3
71.04992	4.5
71.07079	4.9
71.08638	4.5
79.05492	49.8
81.03423	6.1
81.07055	74.0
83.04996	6.4
83.08607	19.4
85.06544	5.4
90.13074	2.6
91.05485	60.8
93.07041	86.5
95.04965	43.7
95.08607	52.9
97.06532	17.8
97.10210	3.0
99.08077	3.4
103.05483	5.4
105.04558	4.1
105.07027	86.7
107.08590	41.5
109.06526	9.9
109.10144	24.9
111.08072	5.2
112.92798	2.5
115.05429	3.4
116.06206	4.0
117.07003	21.9
119.08582	92.3
121.06508	22.9
121.10133	36.7
123.08064	7.2
123.11734	5.2
128.06219	10.7
129.07021	18.8
130.07794	5.4
131.08559	43.4
133.06601	2.6
133.10124	100.0
134.10497	4.3
135.08055	8.1
135.11682	12.7
137.09619	6.0
141.06990	12.1
142.07787	21.9
143.08572	41.9
144.09323	11.9
145.10115	54.4
147.08075	4.8
147.11685	17.5
149.09625	3.6
151.11267	4.0
153.07021	4.8
155.08533	17.3
156.09344	19.6
157.10132	51.2
158.10895	24.9
159.11703	31.1
161.09651	4.2
161.13248	5.9
167.08577	10.0
168.09372	3.1
169.10124	29.9
170.10941	14.3
171.11696	49.1
172.12212	3.7
173.09586	7.3
173.13248	82.1
175.11220	3.5
175.14815	12.2
179.08560	9.0
180.09294	4.3
181.10094	14.5
182.10922	8.8
183.11696	23.5
185.13261	17.5
186.13998	7.2
187.11218	3.4
187.14832	10.6
191.08481	3.7
192.09297	7.2
193.10141	9.9
194.10886	4.6
195.11725	19.3
196.12476	8.6
197.09598	4.8
197.13284	21.5
198.13977	3.1
199.14832	11.0
201.38232	2.9
203.35898	3.1
206.10912	6.7
207.11736	12.2
208.12427	4.6
209.13203	17.2
211.14832	24.3
212.15544	4.8
213.12820	4.4
213.14720	5.5
213.16553	3.8
219.11847	3.7
220.12440	6.1
221.13333	14.4
221.15121	3.1
222.13924	4.5
223.14786	7.6
225.12737	3.0
225.16359	3.9
233.13316	4.0
235.14786	8.0
235.31670	2.5
236.15437	3.0
237.16348	8.1
239.14343	6.6
247.14728	8.2
251.17990	7.2
252.18503	2.7
262.17102	5.6
266.20239	4.4
267.20947	7.0
277.19345	8.6
277.21750	8.9
295.20264	78.0
296.20923	3.6
308.95071	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	295.2268
Annotation	9-HOTrE
Peak:m/z	Relative Intensity
53.03941	5.3
55.01873	17.2
55.05511	52.6
57.03438	19.1
57.07073	12.5
59.05001	1.7
65.03941	4.3
67.05505	95.7
68.05850	1.1
69.03426	8.2
69.07069	43.4
69.57571	6.1
71.04988	8.5
71.08637	14.5
73.06561	2.2
77.03929	1.5
79.05492	77.7
80.05848	1.4
81.03423	8.3
81.07058	100.0
82.07391	1.6
83.04980	25.5
83.08618	22.1
85.02904	1.5
85.06541	8.3
85.10181	2.8
91.05480	70.7
92.05824	1.5
93.07044	93.6
95.04967	31.5
95.08609	66.6
97.06530	23.2
97.07137	1.4
97.10178	14.4
98.23335	1.5
99.08076	7.7
101.06018	1.9
103.05502	1.2
105.04568	1.7
105.07028	46.9
107.04970	4.6
107.08592	36.2
109.06525	12.2
109.10156	23.6
111.04482	1.4
111.08080	12.9
111.11689	1.2
113.06012	1.0
113.09669	2.3
115.05486	1.8
117.07013	18.1
119.08585	36.9
120.08925	1.0
121.06525	4.5
121.10142	28.0
123.08054	6.2
123.11699	8.3
125.09621	7.9
127.07597	1.6
128.06241	2.1
129.07005	10.7
131.08568	14.6
133.06506	2.9
133.10132	38.0
135.08107	3.4
135.11693	15.3
137.09593	5.4
137.13257	2.8
139.11165	15.7
143.08557	11.9
145.10144	7.2
147.08057	4.0
147.11684	20.1
149.09602	2.4
149.13251	10.6
151.11185	10.1
151.14845	1.4
153.09177	1.4
153.12799	4.4
157.10136	11.4
159.11696	6.9
161.09630	2.4
161.13248	13.2
163.11188	3.6
163.14850	4.4
165.12743	10.3
167.14378	1.9
170.20587	1.1
171.11748	5.4
173.13280	5.3
175.11143	7.3
175.14818	12.2
177.12776	4.5
179.14288	6.1
181.12230	1.3
185.13260	15.6
189.12799	1.4
189.16315	1.5
193.10735	1.0
193.12247	6.2
193.15962	1.8
195.13922	1.2
199.14821	2.3
203.14304	12.0
207.12083	1.3
207.13863	4.7
213.16582	1.4
221.15329	10.8
231.21082	4.4
233.84395	1.0
235.16933	2.2
241.19536	4.5
249.22137	4.9
259.20636	6.3
277.21628	65.7
278.21976	2.4
295.19122	16.3
295.22708	70.4
296.23080	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	295.2268
Annotation	9-HOTrE
Peak:m/z	Relative Intensity
53.03938	7.9
53.11589	2.2
55.01882	12.3
55.05513	46.3
55.61114	2.2
57.03440	24.8
57.07089	12.5
65.03944	2.4
67.05507	76.6
69.03423	6.9
69.07071	37.0
71.04990	6.2
71.08632	7.1
71.30453	4.6
71.30831	2.9
72.08103	2.4
79.05496	74.6
81.03416	8.0
81.07059	93.7
82.07398	2.6
83.04994	20.5
83.08611	23.0
83.09055	2.7
85.06535	7.9
91.05482	81.5
93.07043	100.0
93.07634	5.1
95.04958	26.3
95.08608	56.7
97.06537	24.9
97.10181	9.3
99.08090	9.8
103.05486	3.0
105.04505	3.3
105.07028	49.9
107.08595	41.0
109.06522	13.6
109.10156	20.8
111.08089	10.8
117.07005	18.5
119.08581	75.6
120.08119	17.9
121.06512	4.1
121.10146	30.7
123.08090	14.1
123.11710	8.4
125.09622	5.7
128.06242	3.3
129.05554	5.6
129.07008	16.2
131.08582	25.6
131.25600	2.7
133.06482	5.3
133.10141	33.7
135.08075	7.2
135.11688	13.7
137.09642	9.3
139.11163	6.8
142.07759	5.2
143.08571	21.0
145.10126	12.1
147.08054	2.4
147.11691	19.4
149.13278	10.9
151.11182	6.0
153.12775	3.3
155.08533	3.2
156.09392	3.3
157.10100	17.4
159.11671	13.4
161.09596	3.2
161.13289	17.1
163.11258	3.2
165.12845	5.6
169.10172	6.4
170.10890	2.8
171.11696	8.2
171.65720	2.3
173.13261	13.2
175.11224	4.5
175.14824	20.5
177.12816	4.3
183.11632	5.9
185.13263	29.8
193.12314	4.6
195.11636	3.2
197.13252	5.1
199.14836	5.8
203.14319	20.8
207.11751	2.9
207.13864	3.0
209.13281	3.1
221.15341	7.7
231.20967	2.9
238.57053	2.3
249.22176	3.3
258.14792	2.6
259.20731	3.1
276.67102	2.7
277.21774	45.6
295.19293	19.7
295.23236	36.4
301.17157	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	295.2267
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.00320	1.6
53.03936	8.3
54.40465	1.8
55.01871	3.9
55.05264	2.9
55.05510	21.4
56.11443	1.6
57.07076	11.2
58.99587	2.6
67.05508	43.9
69.07070	28.6
71.04970	3.6
71.08634	38.5
73.44042	1.5
79.05490	58.9
81.03424	6.3
81.07059	40.3
83.04989	9.6
83.08624	10.2
85.06517	2.1
87.02692	4.7
91.05482	33.7
93.07044	45.6
95.04945	9.9
95.08608	25.6
97.06554	6.6
97.10188	4.9
98.22593	5.0
99.08091	17.7
103.05466	14.3
105.04549	2.8
105.07030	98.1
106.07893	8.7
107.04957	4.5
107.08605	19.1
109.06560	3.4
109.10156	13.3
111.08076	3.4
111.73797	1.5
117.07035	3.3
119.08620	9.3
121.06545	3.4
121.10146	22.3
123.08070	2.3
123.11806	2.9
131.08578	2.6
133.06491	47.3
133.10156	8.3
134.07275	28.0
135.08060	100.0
135.11685	23.7
136.08385	4.1
137.04202	4.2
137.13235	2.0
141.09105	2.7
143.08794	3.0
145.10191	3.6
147.11694	4.7
149.09700	1.7
149.13263	8.7
151.07556	20.5
151.11162	10.7
159.08241	1.9
159.11699	2.3
161.09644	2.7
161.13274	5.9
163.11229	5.2
163.14836	3.7
165.03711	46.5
166.03975	2.3
167.05258	9.5
167.10693	2.4
177.12822	2.5
179.05255	12.6
179.14310	56.7
181.12112	1.8
185.13202	2.4
189.12732	2.2
195.13773	2.5
201.81393	1.8
203.14346	2.7
221.15294	2.0
232.63872	1.7
233.22711	5.1
241.19785	2.2
243.21103	1.8
259.20685	2.5
261.22253	2.3
277.16208	22.9
277.21518	19.5
279.23389	2.1
295.17194	12.3
295.20358	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	295.2268
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
52.12950	3.3
53.03951	22.5
55.01871	17.9
55.05514	49.7
57.03429	4.8
57.06839	3.9
57.07071	26.2
57.62014	4.1
58.02911	3.8
67.05180	7.1
67.05509	96.6
69.07070	75.5
69.59118	22.0
70.07397	4.2
71.04978	4.2
71.08620	13.6
78.04710	4.0
79.05490	67.7
81.02985	8.2
81.03426	98.6
81.06590	6.2
81.07056	90.9
83.04977	24.3
83.08630	16.3
84.11286	3.5
85.06572	5.9
85.10182	8.0
85.20451	3.6
91.05486	57.8
93.07039	64.1
95.04970	50.2
95.08604	35.1
97.06542	11.7
97.10181	9.6
99.08067	7.9
103.05463	10.6
105.07030	94.3
106.07815	7.1
107.08596	38.0
109.06503	20.4
109.10160	29.4
111.08051	6.0
117.07033	11.3
119.08573	23.0
121.06537	7.2
121.10155	17.6
123.11706	13.9
125.09624	9.6
129.07124	6.9
130.38918	4.0
131.08586	9.2
133.06520	25.9
133.10091	33.7
134.07259	13.7
135.08060	61.2
135.11699	16.2
137.09607	5.5
141.12740	4.9
143.08591	9.0
145.10107	8.0
147.11665	22.5
149.09633	4.6
149.13284	11.9
151.07542	12.3
151.11179	61.2
153.09106	8.0
153.12785	6.6
156.82755	3.7
157.10115	8.5
159.11740	6.0
161.09673	5.1
161.13223	25.4
163.14816	8.3
165.03674	25.5
165.12791	10.5
167.05240	8.9
171.11681	7.1
173.97482	3.8
175.11192	4.0
175.14835	8.5
179.05234	7.9
179.14304	10.6
183.11729	6.3
185.13275	5.5
193.12219	7.6
200.51808	4.0
207.13849	9.3
212.11859	4.2
213.16429	4.4
217.19493	5.7
231.21133	14.9
241.19450	7.0
249.22168	10.5
259.20541	14.7
277.16211	13.3
277.21643	100.0
278.22260	6.2
279.23270	4.5
295.17056	17.4
295.20645	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	295.2268
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03952	10.1
55.01878	44.3
55.05515	58.4
56.29659	2.7
57.03447	7.8
57.07078	10.2
59.05010	3.1
60.33446	2.8
61.93886	2.7
67.05141	5.1
67.05505	100.0
68.05850	3.5
69.03413	6.6
69.07075	37.3
71.05000	8.8
71.08636	28.8
73.06590	3.7
79.05495	63.4
81.03422	19.6
81.07060	98.9
83.04990	21.9
83.08623	31.1
85.06559	6.4
85.10192	8.9
91.05489	42.8
92.27704	2.4
92.57098	2.6
93.07053	59.1
95.04985	19.9
95.08617	58.9
96.08953	2.5
97.06535	30.3
97.10173	14.6
99.08092	29.5
100.14994	3.0
103.05454	5.1
105.03468	3.6
105.07043	44.4
107.04932	3.4
107.08604	38.1
109.06541	12.4
109.10155	36.4
111.08089	34.8
113.09673	9.9
117.07038	8.0
119.08590	24.5
121.06512	3.0
121.10130	31.7
123.08080	16.6
123.11711	11.8
125.09621	13.2
128.06215	3.4
129.07034	7.5
131.08588	7.9
133.02892	5.3
133.06497	9.6
133.10133	31.7
134.07257	8.7
135.08031	21.3
135.11674	21.1
137.09602	15.6
137.13286	3.2
139.11194	12.5
143.08562	5.9
145.10167	6.1
147.08055	5.4
147.11696	23.7
149.09613	8.5
149.13249	15.4
149.19704	3.2
151.07611	4.0
151.11177	25.4
153.12755	4.6
157.10103	8.0
159.11719	5.5
161.13286	15.5
161.74254	3.3
163.11205	6.7
163.14886	5.0
165.03746	5.9
165.12749	20.2
167.14365	3.6
171.11700	4.3
173.13351	6.5
173.81412	2.5
175.11185	5.1
175.14851	6.0
177.12888	3.0
179.14337	8.3
181.06506	4.7
181.12288	5.0
185.13286	7.1
189.11148	3.5
189.12796	3.3
193.15976	3.6
199.07545	2.9
199.14882	4.1
219.09164	18.0
221.01041	3.0
221.15448	3.0
228.74159	3.7
228.76190	3.9
231.21136	6.5
232.07779	2.6
239.10782	7.9
241.19472	7.9
249.22159	8.4
259.20593	15.9
263.08310	6.5
269.43820	3.0
277.21649	86.7
277.24628	6.2
295.07260	4.7
295.13309	12.6
295.22690	46.5
296.23160	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	296.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
61.02913	2.3
62.41028	1.0
69.03429	100.0
70.03762	1.4
70.81409	2.8
81.03413	50.2
82.03719	1.3
83.04951	1.9
85.02905	15.3
86.12984	1.3
95.04980	5.9
95.06068	1.4
97.02899	7.4
99.04454	48.7
109.58535	1.2
114.28777	1.4
116.26232	1.1
117.04879	1.2
123.04433	5.5
127.03949	2.1
145.04971	2.3
154.16675	1.3
161.02910	1.9
166.65546	1.2
225.07584	3.1
231.76067	1.3
235.24251	1.3
243.08646	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	297.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	14.5
53.58595	3.9
55.01864	22.5
55.05514	32.2
57.03434	24.0
57.07078	5.3
59.04985	11.1
61.02927	31.1
65.03956	5.4
67.05507	35.8
69.03433	50.5
69.07063	28.5
69.86055	18.4
71.01357	10.5
71.04993	80.9
73.02918	28.5
79.05499	48.3
81.03413	25.4
81.07060	57.3
83.04993	19.0
83.08630	6.3
85.02908	37.3
85.06545	8.3
87.04482	6.5
91.05481	59.6
93.07047	82.1
95.04986	25.4
95.08605	44.2
97.02888	37.8
97.06544	14.9
97.08070	3.9
98.22621	4.7
99.04469	6.8
101.02414	8.4
103.03930	14.5
103.05463	8.4
105.07035	100.0
107.04968	17.8
107.08589	83.0
109.02874	5.9
109.06527	33.1
109.10139	35.5
111.04436	12.1
111.08080	6.8
115.03954	22.9
115.05482	10.5
116.06156	5.5
117.07027	41.6
119.04959	7.3
119.08582	93.2
121.06511	27.9
121.10132	52.1
123.04455	5.1
123.08072	25.8
123.11721	16.9
125.06035	5.3
127.03904	6.8
128.06229	7.1
129.05508	13.7
129.06992	23.2
130.07777	10.0
131.08588	50.5
133.05154	4.1
133.06506	18.4
133.10132	31.5
133.25771	4.8
135.08058	25.1
135.11690	37.9
137.05988	8.5
137.09624	10.0
139.07542	4.5
141.07013	6.7
143.08611	29.7
143.09622	6.1
144.09308	10.2
145.06503	14.3
145.10109	53.3
147.08067	42.4
147.11681	37.4
149.09621	11.9
149.13251	5.8
151.07585	7.8
151.11166	28.9
153.12740	5.3
155.08553	13.0
157.06459	6.5
157.10120	11.4
159.08072	14.5
159.11668	33.1
161.09622	11.7
161.13280	14.7
163.07613	9.0
163.11186	47.5
165.07013	8.5
165.09138	7.8
165.12733	39.0
167.08566	6.8
169.10143	5.3
171.08040	7.0
171.11667	11.0
172.08809	5.0
173.06068	4.5
173.09631	56.4
173.13280	7.0
175.07576	11.7
175.11185	11.1
177.09081	4.2
177.12746	45.0
179.14311	5.2
183.11705	10.5
187.11174	15.5
189.09164	8.2
189.12733	32.5
191.10684	16.0
191.14369	8.5
193.12393	6.0
193.53117	4.8
195.08157	4.9
201.09158	6.3
201.12691	12.3
205.06529	6.0
205.12206	8.7
207.13814	13.6
209.11742	7.3
215.14232	6.7
216.62807	5.1
219.13867	15.2
225.12836	6.1
231.13791	14.3
237.09045	5.7
243.13799	25.7
261.14777	41.0
265.08597	10.4
279.15897	42.9
297.11679	10.3
297.16858	85.1
297.22101	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	297.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	4.0
53.03947	12.8
55.01873	20.4
55.05518	36.0
57.03438	20.8
61.02930	26.8
64.17516	5.7
65.03945	5.4
67.05511	41.2
69.03433	37.1
69.07066	24.7
69.37855	30.5
69.38205	5.9
71.01369	5.0
71.04999	83.0
73.02935	24.4
79.05501	38.9
81.03442	27.5
81.07059	55.5
82.68345	4.4
83.04984	18.4
83.08624	5.0
85.02921	43.0
85.06538	7.0
87.04458	9.4
91.05492	70.4
91.83564	4.1
93.07059	66.3
95.04984	22.4
95.08609	37.5
97.02895	46.0
97.06564	12.2
99.04457	4.6
101.02375	14.8
102.66065	4.5
103.03929	27.8
105.07042	100.0
107.04972	10.6
107.08603	77.3
109.06506	30.3
109.10175	29.7
111.04453	9.5
111.08077	6.5
115.03944	19.4
115.05476	10.1
117.07047	31.0
119.04982	7.8
119.08587	84.5
119.09362	3.1
121.06524	20.7
121.10149	44.4
123.04454	10.9
123.08093	22.9
123.11694	28.0
125.09679	7.9
127.03957	4.9
128.06207	13.0
129.05486	14.0
129.06989	21.5
129.85970	4.8
130.07776	16.4
131.04817	5.8
131.08585	58.7
133.06479	12.6
133.10130	34.1
135.08032	26.6
135.11725	39.0
137.06030	6.1
137.09657	13.5
137.13281	6.2
143.08588	22.0
144.09349	7.8
145.06493	14.6
145.10138	51.1
147.08054	42.0
147.11732	34.5
147.12711	5.9
149.09619	15.7
149.13287	9.0
151.07582	7.8
151.11200	33.4
153.12758	9.8
155.08633	11.6
156.09380	6.5
157.10156	7.2
158.07330	4.7
159.08083	18.3
159.11652	24.2
161.09648	14.0
161.13400	9.7
163.07578	6.4
163.11194	46.2
165.12759	42.0
167.10487	6.2
171.08054	8.0
171.11664	10.4
173.09630	50.5
173.13278	10.1
175.07602	16.5
175.11195	10.7
177.12746	48.1
179.08572	5.5
179.10652	5.7
183.07991	8.4
183.11736	6.8
187.11230	16.1
189.12787	31.2
191.10718	19.8
191.14366	5.6
193.08646	9.1
193.12294	4.3
201.12784	18.0
205.12279	12.4
207.13879	11.6
209.11711	8.9
219.13846	17.1
231.13852	12.8
237.09273	5.7
243.13879	18.8
249.14940	7.2
261.14847	34.6
265.08624	6.2
279.06625	6.0
279.15897	33.6
297.07892	4.9
297.11487	10.0
297.16824	75.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95156	0.6
52.64581	1.0
53.03935	1.1
54.60701	0.8
55.05509	4.6
57.03423	0.8
57.07088	1.1
59.04995	2.5
67.05499	3.5
69.03428	7.0
69.07069	10.6
71.04996	1.3
71.07184	1.7
71.08650	1.2
73.02903	1.2
73.06534	1.5
75.04474	3.6
79.05488	2.7
81.07050	5.0
83.04971	2.1
83.08617	3.2
85.06543	1.4
91.05463	3.5
93.07046	10.0
95.04961	3.9
95.08608	7.0
97.02873	0.8
97.06509	1.7
98.97595	1.3
101.05975	0.8
105.07010	6.9
107.04932	0.8
107.08601	11.0
109.06522	3.7
109.10126	3.6
111.04430	1.3
111.08008	0.7
115.07574	12.4
116.98643	1.2
117.07034	2.8
119.08587	7.5
121.06502	12.5
121.10123	7.0
122.05775	0.7
122.07280	2.2
123.08058	11.6
123.11709	3.1
125.05993	2.1
125.09600	1.4
127.03983	1.0
128.06200	0.7
129.05511	1.1
129.06979	0.9
131.08571	4.8
133.06468	0.9
133.10107	6.7
135.08051	31.5
135.11699	6.6
136.08459	0.8
137.05949	1.7
137.09618	1.4
143.08598	1.2
144.04745	1.2
145.06467	1.0
145.10135	7.5
147.08072	1.4
147.11670	5.4
149.05969	2.4
149.09602	6.7
149.13255	2.2
151.07608	0.9
151.11180	1.6
153.09155	0.9
157.10114	2.2
159.08058	2.8
159.11696	2.0
161.09618	2.0
161.13263	1.1
163.07544	12.4
163.11148	3.5
163.14844	1.8
164.08344	1.6
165.09056	1.7
165.12730	1.7
171.11653	1.8
173.09669	2.0
173.13251	4.9
175.11176	2.8
176.11974	7.1
177.09105	7.5
177.16402	0.8
182.10736	0.8
185.13086	1.2
187.11131	0.7
187.14818	5.6
189.12743	1.0
191.10620	2.9
191.14304	84.1
192.14656	3.3
195.10135	2.8
197.13306	2.3
205.15854	14.7
215.14334	14.1
215.19833	0.7
216.14700	0.9
219.17538	0.9
233.15359	100.0
234.15637	4.2
247.16919	6.9
265.17987	20.2
279.19568	8.9
297.20618	26.3
298.20969	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
54.60075	1.2
55.01866	2.4
55.05510	7.5
57.03432	2.4
57.07069	2.5
59.04995	4.0
61.76177	1.1
67.05500	9.0
69.03425	8.4
69.07066	15.7
71.04979	1.8
73.02880	1.6
73.06528	1.5
75.04482	11.2
75.88150	1.0
79.05502	10.3
81.03433	1.2
81.07053	13.3
83.04988	2.6
83.08624	3.7
85.02898	1.5
85.06535	3.2
88.87320	0.9
89.07238	0.9
91.05474	7.8
93.07037	14.5
95.04980	6.1
95.08602	17.3
97.06522	3.0
97.10126	1.2
98.22522	1.5
98.97576	1.9
99.04489	1.0
101.06026	2.9
103.05437	1.9
105.07022	10.6
107.04974	1.3
107.08593	17.4
109.06506	5.5
109.10151	5.9
111.04441	0.9
111.08067	1.9
115.07571	8.4
117.05529	2.3
117.07011	4.1
119.08569	9.1
121.06507	10.0
121.10132	12.6
122.07278	2.4
122.10387	1.0
123.04405	1.2
123.08073	14.7
123.11702	17.6
125.06010	3.9
125.09630	2.0
127.03911	2.2
129.05479	3.2
129.06978	1.3
131.08559	8.3
133.06474	2.1
133.10123	8.3
135.08057	38.2
135.11700	7.5
136.06233	1.2
137.05984	3.4
137.09601	2.3
137.13268	3.6
142.07721	1.3
143.08614	2.1
144.04799	1.2
145.06517	1.2
145.10106	9.9
147.08070	2.2
147.11696	16.5
148.72107	1.0
149.06035	2.6
149.09631	8.4
149.13300	4.2
151.07556	1.5
151.11101	1.0
153.09193	1.8
154.75662	1.0
155.08546	1.3
156.09280	1.0
157.10165	2.7
159.08063	3.2
159.11720	4.7
161.09636	1.9
161.13313	1.2
163.07535	19.5
163.11211	2.8
163.14816	4.1
164.08333	1.7
165.12764	5.5
167.03256	1.0
169.10042	1.0
171.11717	1.9
173.09636	2.2
173.13222	5.1
175.11171	3.9
175.14886	1.9
176.11963	9.2
177.09061	9.9
177.16425	2.1
187.11050	1.7
187.14815	11.9
189.12791	1.5
191.10658	4.2
191.14305	100.0
192.14664	4.2
195.10095	1.5
197.13280	2.0
205.15897	11.2
207.13777	1.6
215.14310	16.1
216.14467	1.2
223.13216	1.1
233.15364	77.2
234.15759	5.2
237.18474	1.8
247.16985	10.1
261.12009	1.0
265.18015	20.0
274.97546	1.8
279.19611	5.1
282.46680	1.1
292.98486	1.2
297.08752	1.2
297.20670	32.9
298.21146	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	297.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18016	1.0
53.03936	1.5
55.01869	2.0
55.05512	7.3
57.03426	2.3
57.07077	2.2
59.04989	2.6
59.17530	1.0
67.05510	7.4
67.62273	0.9
69.03431	7.5
69.07068	14.5
69.45730	3.3
69.46135	2.0
71.04990	1.7
73.02934	1.5
73.06553	2.7
75.04478	10.5
79.05499	6.4
80.25188	1.0
81.07056	11.0
83.05034	2.2
83.08624	3.5
85.02913	1.1
85.06538	3.3
91.05468	6.5
93.07040	13.0
95.04964	7.3
95.08607	15.9
97.02922	1.7
97.06509	1.7
101.06008	1.8
103.05499	1.0
105.07032	11.4
107.08582	17.5
109.06548	4.9
109.10114	6.3
111.04465	1.6
111.08091	2.1
115.05430	1.1
115.07580	10.1
116.98665	1.3
117.05508	2.2
117.07028	3.8
119.08588	8.6
119.37627	1.0
120.54114	1.0
121.06494	10.8
121.10133	12.0
122.07285	3.9
123.08071	14.7
123.11699	18.4
125.06005	3.5
125.09619	2.8
129.05505	2.4
129.07004	2.1
131.08585	8.9
133.10132	7.9
135.08054	37.5
135.11690	9.4
137.06026	2.3
137.09586	1.2
137.13281	2.3
139.07591	1.0
141.07066	1.1
143.08598	2.1
145.06528	1.3
145.10138	14.2
147.08075	2.2
147.11676	11.3
148.08809	1.5
149.02336	1.1
149.05977	2.4
149.09572	7.3
149.13287	3.7
151.07555	2.8
151.11145	1.1
153.09088	1.1
157.10155	3.1
158.10863	1.2
159.08086	3.8
159.11736	4.0
161.09651	2.5
161.13287	1.8
163.07538	18.9
163.11221	3.8
163.14818	3.5
164.08289	1.5
165.09116	1.1
165.12740	5.1
167.08664	1.4
169.08687	1.0
171.11667	1.1
173.09637	2.1
173.13251	6.9
175.11205	6.4
175.14778	1.6
176.11958	9.8
177.09096	12.3
187.14836	12.7
189.12622	1.0
191.14304	100.0
192.14662	4.6
195.10190	2.7
197.09570	1.2
197.13306	2.4
205.15936	11.8
207.13861	2.1
209.11751	1.7
215.14311	16.7
223.13194	1.4
223.17032	1.1
233.15355	81.3
234.15730	4.3
247.16954	8.8
265.17981	22.3
265.20728	1.4
279.19608	6.1
279.22659	1.4
297.09192	2.1
297.17810	1.9
297.20697	35.9
298.21130	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.0
55.01862	4.8
55.05515	19.5
57.03440	15.7
57.07071	5.0
61.69971	1.7
62.79516	2.1
67.05505	38.6
69.03439	5.4
69.07075	23.3
73.10679	1.8
75.04482	9.6
75.73617	1.9
79.05492	27.1
81.03410	2.4
81.06587	3.5
81.07061	54.1
83.04987	5.3
83.08622	11.0
85.02883	2.0
85.06545	4.5
91.05494	14.7
93.07048	33.7
95.04983	6.7
95.08612	64.8
97.06543	3.2
97.10168	5.0
98.97615	2.9
99.08121	2.2
105.07024	13.6
107.08597	26.1
109.06517	5.5
109.10159	21.9
111.08069	3.0
112.03857	1.9
115.07570	4.7
117.05484	3.4
117.07052	4.0
119.08582	13.5
121.06519	7.8
121.10142	27.3
122.07314	3.1
123.08064	15.9
123.11717	12.6
125.06029	3.0
125.09640	3.4
129.05545	2.2
131.08595	11.6
133.06546	2.7
133.10155	9.5
135.08049	25.5
135.11693	13.2
136.06165	2.6
137.06039	2.7
137.13298	2.3
143.08542	2.1
145.06479	2.4
145.10117	14.8
147.11734	8.5
149.09653	5.3
149.13316	5.0
157.10139	3.4
159.08040	3.3
159.11684	3.3
159.92564	2.5
161.09688	3.4
161.13245	3.2
163.07565	8.4
163.11263	3.4
165.12787	5.0
172.31322	1.9
173.13272	4.2
175.11211	4.6
176.11932	9.7
177.09138	6.2
177.16431	3.7
182.10889	1.9
187.14821	17.0
191.14316	100.0
192.14667	3.7
197.13242	3.3
205.15872	8.8
215.14256	14.2
223.13336	2.4
223.17004	5.8
233.15387	32.0
247.16965	7.2
265.18079	15.3
279.19492	2.3
297.20657	56.4
298.20981	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	297.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	0.8
53.03944	1.1
53.66830	0.8
55.01870	1.2
55.05513	6.2
57.03419	1.5
57.07075	4.6
57.07312	0.9
59.04994	2.3
65.83121	0.8
67.05509	6.6
67.26878	0.7
69.03426	6.0
69.07066	13.9
69.15427	3.2
69.15854	2.8
71.04980	1.0
71.08620	0.8
73.02920	0.8
73.06563	2.7
75.04486	2.6
79.05494	4.5
81.07049	9.0
82.07382	1.5
83.04985	3.3
83.08615	5.7
85.06557	1.7
86.09720	1.2
91.05465	5.6
92.04961	0.8
93.07047	7.9
94.17794	0.9
95.04964	4.4
95.08606	8.3
97.02905	2.0
97.06517	1.6
97.10162	1.1
98.22630	1.8
99.08102	1.4
103.05470	1.1
105.03400	1.1
105.07011	6.2
107.08589	12.8
109.06522	2.6
109.10180	3.9
111.08076	2.1
111.16114	0.8
112.03955	1.1
115.07574	12.5
117.07018	2.5
119.08580	6.9
121.06522	7.3
121.10134	9.7
122.07316	2.0
123.08083	6.9
123.11716	3.6
125.09637	0.8
127.11215	1.9
128.85374	1.0
129.05487	1.4
129.06996	1.9
131.08589	5.2
133.10112	5.0
135.08052	28.6
135.11670	5.2
136.06238	1.4
137.05954	1.8
137.09648	2.5
137.63594	0.8
143.08510	1.6
145.06526	1.2
145.10121	7.3
147.08061	1.9
147.11678	5.4
148.08690	0.8
149.05997	3.2
149.09613	7.0
149.13229	1.4
151.07538	0.9
151.11241	1.3
155.08531	1.2
157.10129	1.7
158.10902	1.0
159.08075	2.9
159.11687	3.5
161.09589	1.7
161.13280	1.9
163.07547	25.2
163.11212	2.4
163.14812	3.1
164.02390	0.8
164.08273	1.9
165.12776	1.6
167.08478	0.9
169.10114	1.2
171.07983	1.3
171.11681	1.6
173.09662	1.5
173.13213	4.8
175.11223	2.3
176.11974	4.7
177.09102	11.4
177.16377	2.0
187.11246	1.0
187.14789	5.0
191.10699	2.5
191.14293	46.7
192.14784	1.6
195.10223	3.1
197.13266	2.2
201.09154	1.0
205.15886	16.9
211.49660	0.9
213.10255	1.8
215.14326	8.2
217.08604	2.1
233.15353	100.0
234.15613	5.3
247.16953	5.6
265.17990	17.3
279.19534	13.9
280.19940	0.9
280.23566	2.7
297.09161	1.3
297.14874	2.1
297.20627	12.5
297.24283	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2212
Annotation	(11Z)-8,18-methano-retinal
Peak:m/z	Relative Intensity
51.02371	2.0
53.03938	7.3
55.01865	2.4
55.05512	18.3
55.22869	2.1
57.07062	7.6
65.03939	2.6
67.05508	32.3
69.03442	2.2
69.07071	31.2
71.04956	2.8
78.27910	2.0
79.05492	26.7
79.26546	2.0
81.06588	4.2
81.07055	67.5
83.04980	9.9
83.08615	8.7
85.06527	2.2
91.05482	37.6
93.06475	3.9
93.07047	64.3
95.04971	20.0
95.08608	82.5
97.06547	12.6
97.10198	4.1
98.22602	4.0
103.05444	2.5
105.04499	3.0
105.07033	91.3
107.08598	46.9
109.06494	8.6
109.10151	24.5
113.27831	1.9
116.06232	2.9
117.07018	14.4
119.08584	68.7
121.06497	20.7
121.10143	100.0
122.10487	2.2
123.08064	8.7
123.10804	4.0
123.11709	75.8
124.12028	2.0
128.06197	4.4
129.07007	8.3
130.07773	4.1
131.08583	25.5
132.40984	2.0
133.06422	2.9
133.10126	60.9
135.08066	6.1
135.11702	14.8
137.13280	3.1
141.06950	5.7
142.07799	20.4
143.08548	18.3
144.09344	4.9
145.06499	2.8
145.09018	3.3
145.10130	52.9
146.07286	3.1
147.08075	6.4
147.11684	32.7
149.09631	3.1
149.13268	3.7
155.08508	4.3
156.09341	6.4
157.10129	59.5
158.10796	3.8
159.08023	3.0
159.11693	24.7
161.09621	22.8
161.13231	9.8
163.14877	2.0
165.06854	2.1
167.08589	4.6
169.10175	10.9
171.11693	15.1
173.09659	10.3
173.13277	16.7
175.11203	23.8
175.14780	15.3
177.16335	6.2
177.90285	2.3
179.08635	5.3
180.09238	2.9
181.10103	9.8
182.10867	4.0
183.11691	10.7
185.09633	3.5
185.13268	10.5
187.11209	3.4
187.14784	10.2
189.12921	2.1
189.16333	5.5
193.10126	6.7
194.10895	6.4
195.11684	6.1
197.13283	11.7
199.11122	3.9
199.14862	11.8
201.12762	2.3
201.16409	7.0
203.14331	3.6
207.11810	3.1
208.12405	3.9
209.13234	16.6
211.14850	7.2
213.12686	3.5
213.16309	13.1
215.14357	2.9
215.17860	3.7
223.14807	16.4
225.16240	3.1
227.14308	4.8
237.16371	5.6
239.17947	3.6
241.15810	8.6
249.16142	3.0
253.19411	2.8
269.22556	5.5
279.20990	15.3
297.18738	4.1
297.22116	85.8
297.29599	5.3
298.22391	4.9
298.30991	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	297.2214
Annotation	(11Z)-8,18-methano-retinal
Peak:m/z	Relative Intensity
50.54887	2.4
51.03922	2.4
53.03954	5.1
55.01881	2.8
55.05505	14.3
57.07061	7.6
63.31691	2.3
67.05504	25.8
69.03448	2.8
69.07072	40.6
70.82719	2.8
79.05492	21.3
81.07059	45.9
83.04967	6.0
83.08624	8.4
91.05481	32.2
93.06477	5.1
93.07048	70.6
93.61683	2.2
95.04962	20.6
95.08612	59.6
97.06507	6.4
97.10175	2.8
98.23349	6.9
103.05487	4.1
105.04513	2.5
105.06385	4.1
105.07043	50.8
107.08595	38.8
109.06484	5.1
109.10153	20.5
115.05471	3.3
117.07010	12.0
119.08591	51.6
121.06506	41.1
121.10141	46.2
122.06882	3.0
122.10500	3.8
123.08071	9.3
123.11712	23.7
129.07005	7.0
131.08559	15.6
133.10138	34.2
135.08061	8.1
135.11690	8.4
137.13318	2.3
142.07738	8.6
143.08582	20.7
144.04820	3.8
144.09355	3.8
145.10129	35.1
147.11691	19.2
149.09642	3.9
155.08545	5.0
156.09331	4.7
157.10120	29.6
159.11705	20.1
160.12622	2.6
161.09628	9.7
161.13252	12.8
163.14764	6.5
165.07011	3.2
167.08601	3.3
169.10129	11.7
171.11740	11.6
173.09641	5.1
173.13289	14.0
175.11234	6.8
175.14862	41.7
177.16402	15.9
179.08595	6.6
180.09261	3.6
181.10103	10.4
182.10893	5.9
183.11688	10.9
185.13246	11.1
187.14764	7.7
189.16414	7.1
193.10106	4.6
194.11038	3.6
195.11688	8.5
196.12415	2.7
197.13272	10.4
199.11243	3.7
199.14828	9.1
201.16437	6.0
203.14493	2.7
208.12405	4.1
209.11624	2.4
209.13240	14.0
210.14110	2.4
211.14798	7.6
213.12784	2.9
213.16409	7.3
214.17091	3.4
215.17931	3.2
223.14816	10.6
224.43214	2.8
227.14288	4.3
241.15875	10.2
247.13850	2.4
253.19511	5.4
269.22626	10.3
279.21045	11.9
297.22128	100.0
298.13507	2.8
298.22363	3.9
300.49231	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.9913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40611	5.3
56.96567	15.5
58.90704	4.9
73.80175	5.2
75.68382	5.1
85.02930	5.0
85.76959	4.4
87.05070	4.5
96.92244	7.5
98.97585	36.5
99.23661	4.8
107.52739	5.1
112.89613	13.0
116.98624	23.7
150.69290	4.6
154.00909	5.0
164.52744	4.9
168.23563	5.7
177.00977	9.4
198.28375	4.9
212.02545	7.9
212.93295	5.9
213.93439	7.1
214.96506	17.6
215.96548	6.4
219.01991	15.0
220.41545	5.8
230.94240	6.8
238.96442	12.0
250.01990	5.1
255.94185	7.7
256.94788	9.4
256.97583	100.0
257.02542	6.4
257.97498	8.1
261.02997	13.8
272.95282	14.5
273.95438	15.1
274.02530	10.6
274.94333	41.5
274.97345	8.4
279.99228	8.5
292.03555	6.1
297.95648	10.3
298.04385	6.3
298.30896	12.9
298.98541	19.0
315.96741	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	298.0967
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
51.06055	0.2
57.03429	0.3
61.01149	6.5
65.99699	0.2
69.03428	0.4
69.29922	0.2
69.60709	0.8
69.61108	0.5
70.06598	0.5
75.02702	2.8
79.05478	0.4
85.02904	0.4
87.02719	0.3
91.05462	0.2
94.04048	0.6
94.06529	0.3
97.02887	1.9
103.02155	0.6
106.06541	0.4
109.02827	0.3
118.06557	0.5
119.03542	0.9
120.04456	1.5
123.04388	0.3
124.07555	0.2
130.06526	0.5
132.08083	0.6
136.06183	100.0
137.04626	0.3
137.06680	1.0
137.54584	0.2
139.03900	0.3
144.94585	0.2
145.03163	1.8
146.05978	1.3
148.07587	0.3
156.10213	0.2
160.07574	0.8
163.04231	1.4
172.07596	0.2
180.15808	0.2
214.08702	0.3
238.10789	0.3
239.11270	0.3
266.13693	0.2
270.07654	0.3
298.09695	3.2
298.12906	1.0
298.16431	0.4
299.10315	0.3
302.81491	0.3
309.89594	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33887	0.8
53.03930	0.9
53.32467	0.8
55.01879	6.5
57.03429	5.1
58.11893	0.8
61.01146	5.8
61.02927	9.4
65.03941	1.1
67.05496	1.6
69.03119	1.0
69.03436	9.3
70.27765	0.8
71.04981	2.3
73.02917	3.7
75.02696	1.6
79.05498	1.9
81.03428	5.9
82.06560	1.2
83.04984	1.7
85.02910	29.0
87.00842	1.0
87.04474	1.6
91.03947	1.5
91.05473	3.3
92.05016	6.4
94.06573	19.7
95.01348	1.1
95.04979	4.3
97.02892	13.1
99.04467	2.4
101.02382	1.1
103.03954	6.2
104.04993	3.1
106.06561	4.9
109.02872	2.7
111.04447	4.1
113.06057	1.4
115.03954	1.4
115.05480	2.2
117.05773	6.7
117.07057	1.5
118.06550	30.9
119.82031	1.0
120.04476	69.9
120.08101	1.2
121.04804	2.1
123.04419	9.5
127.03933	4.7
128.07069	1.1
130.06528	14.4
131.07312	1.2
131.80342	1.0
132.04477	4.3
132.08095	37.0
133.08440	1.0
136.06192	72.8
136.07581	43.5
137.07954	1.5
139.02902	1.6
139.03914	19.5
139.04999	1.3
141.05510	1.2
142.06487	2.4
143.07326	1.5
144.08121	4.4
145.03284	1.0
145.04985	1.9
145.06467	0.9
146.06017	100.0
147.06371	2.5
148.07567	10.1
150.05424	1.3
151.03929	6.5
156.08099	4.6
158.06059	4.2
159.06726	2.7
160.07590	69.6
161.07962	2.0
163.04295	1.4
164.07106	2.9
168.08055	1.6
169.04951	2.9
170.06084	1.1
170.09595	1.3
172.07584	21.5
175.07523	1.2
178.04892	0.9
178.08656	4.0
180.08139	2.4
182.06024	0.9
183.06824	2.9
184.07584	11.7
184.09294	1.4
185.08350	1.5
186.09129	3.6
190.08611	2.8
195.08192	0.9
196.07617	4.1
198.09161	8.7
200.07132	1.0
202.08675	7.6
208.07500	1.4
211.39986	0.9
214.08641	8.4
218.08099	1.0
220.09683	1.5
223.68185	1.0
226.08611	6.4
232.09714	4.1
238.10847	6.7
244.09656	9.4
244.11560	0.9
256.11737	1.6
262.10748	9.0
280.11832	19.1
281.12082	1.0
298.09961	3.2
298.12885	74.3
298.16412	3.7
298.19846	2.0
299.13467	3.7
299.30991	0.8
306.37994	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47465	3.0
55.05510	19.0
57.33948	2.9
59.05004	11.3
69.03412	6.3
69.35719	2.8
69.91554	11.5
73.06563	7.0
82.65783	3.4
83.04984	5.2
85.02906	29.6
97.02889	10.1
98.97588	9.4
101.06018	100.0
119.07051	31.3
125.49589	3.3
127.03922	7.5
136.06183	10.1
145.04929	9.8
152.05702	16.2
163.06001	6.0
179.52916	3.3
204.95192	3.3
217.05486	3.3
238.03281	3.5
239.41945	3.5
274.97516	4.1
299.07312	5.1
307.24869	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	298.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	9.1
57.03441	6.9
61.02929	9.8
69.03427	17.8
69.58524	8.0
71.05012	3.3
73.02909	3.1
73.06557	17.2
73.42091	3.1
81.03434	8.9
83.05000	5.0
85.02908	100.0
87.04470	3.7
91.03976	7.0
97.02893	22.5
98.97629	4.8
99.04474	5.1
101.06027	28.0
101.91153	2.3
103.03974	3.4
109.02881	9.2
111.71372	2.4
119.07088	10.5
127.03926	25.9
136.06303	3.4
145.04959	37.5
163.06023	12.1
274.97311	3.2
298.09027	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.2
55.83918	0.8
59.74652	0.9
61.23090	0.9
66.50100	0.9
69.03413	2.1
69.75900	1.9
69.76301	3.2
73.06543	1.7
81.03407	1.0
83.01138	1.0
83.04985	4.1
85.02908	8.5
96.59674	1.1
97.02894	3.1
101.06025	3.1
114.00303	0.8
118.08639	1.2
119.07056	2.3
127.03912	1.1
136.06230	3.5
145.04948	2.5
153.21817	0.9
154.81877	0.9
160.03860	1.1
199.04541	1.0
208.05740	1.7
226.06854	3.2
298.08936	15.3
299.07367	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.053
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96303	2.1
56.96569	23.0
60.41623	1.2
65.01522	1.2
67.05495	1.2
69.03421	2.4
70.06583	2.6
70.65625	1.2
71.11946	1.3
78.03530	1.3
81.03418	5.2
83.04966	1.6
84.96053	8.4
85.02895	3.0
98.97589	43.3
101.06020	2.5
110.97576	13.7
113.95187	1.2
116.07008	1.3
116.98626	24.7
128.98619	18.2
131.00163	2.7
133.08490	1.5
134.99654	10.5
136.06241	1.4
138.09163	1.2
138.83476	1.3
140.98550	1.7
143.00133	4.3
144.98073	1.7
146.99663	12.4
152.98595	4.0
158.99666	4.9
161.01225	5.0
162.99205	2.1
165.00702	2.1
170.99654	5.6
173.01230	2.5
177.00708	8.7
189.00705	4.0
197.01340	2.5
215.02260	2.2
219.01787	13.0
223.10493	1.8
237.02844	31.5
238.03224	1.3
255.03751	1.3
260.04318	1.6
299.07385	100.0
299.10953	23.6
300.07425	2.6
317.05450	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	299.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	2.0
57.03439	0.9
60.01887	0.5
61.02913	0.7
69.03426	4.3
69.60275	2.7
71.04987	0.7
73.02503	0.5
73.02926	0.9
74.90074	0.6
78.28960	0.5
81.03423	1.8
83.04988	2.5
85.02896	3.6
87.04482	0.8
97.02892	3.0
98.23326	1.1
98.97558	3.9
99.04469	0.9
110.97554	0.9
112.99122	1.2
113.00855	0.8
115.02402	0.8
116.64153	0.6
116.98651	1.5
119.01926	1.3
127.03969	1.1
130.81279	0.5
130.93298	0.9
131.00174	1.3
131.01920	1.7
137.02049	0.8
138.05479	0.7
142.47118	0.5
143.01952	1.4
145.01721	0.5
145.03445	0.9
147.03101	0.7
148.36980	0.6
152.55092	0.8
155.01891	2.3
157.03493	1.1
158.99710	0.9
160.03918	1.7
161.01231	0.6
168.03671	2.1
168.53790	0.6
169.04468	5.2
169.54630	1.2
172.94339	0.7
173.02937	6.7
174.97607	0.9
175.02798	0.7
181.03474	0.8
191.04135	0.8
197.01286	0.7
197.02997	1.9
199.04469	0.7
200.03108	0.6
209.02994	1.4
211.04547	1.1
215.04062	0.9
217.55644	0.8
218.06212	1.4
219.01802	1.5
221.05101	2.7
222.70844	0.6
227.04050	1.3
229.05602	1.3
232.96481	0.7
237.02943	0.6
239.04050	0.6
240.05721	1.1
241.06358	0.6
251.04129	1.2
256.96362	3.1
274.97617	2.5
277.07715	0.6
278.08090	0.7
281.04996	0.8
283.37930	0.6
299.07382	100.0
300.07779	5.0
316.98767	1.4
317.07117	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05584	0.4
69.60661	2.2
70.32863	0.4
75.00337	0.4
76.32453	0.4
97.02929	0.5
136.06189	0.5
137.02098	0.7
137.34224	0.4
145.03490	0.7
173.02982	1.4
209.02916	0.7
211.04550	0.5
256.92969	0.4
299.07367	100.0
300.07706	4.2
317.20010	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	34.8
64.11780	0.6
67.05491	0.6
69.03393	0.6
71.29482	0.7
71.95243	1.0
74.97599	1.2
79.05457	1.3
83.04967	0.7
84.04495	1.2
107.04944	1.2
109.02876	0.5
109.06470	0.6
113.06036	0.5
115.00694	4.9
129.06627	0.7
130.04991	0.8
130.06534	0.5
131.00183	0.7
133.01730	3.6
135.04393	0.5
137.05936	0.5
138.05469	0.5
139.79488	0.5
141.02234	4.4
143.03802	16.7
153.05463	0.5
157.01678	0.5
159.03299	8.1
161.04860	40.4
162.05182	1.1
169.01665	5.2
173.02869	0.6
173.04715	0.4
177.04318	1.5
179.05916	11.3
184.06509	1.0
187.02777	44.1
188.03165	0.8
205.03841	100.0
206.04172	1.6
207.09183	0.5
210.04388	1.4
223.04904	8.6
228.05450	1.6
235.08636	2.1
239.17601	0.5
281.09384	0.7
299.07913	18.2
299.10934	1.9
299.16208	0.6
300.08273	0.6
317.09140	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	16.7
53.03944	9.8
55.01871	7.2
55.05515	60.3
57.03434	37.3
57.07071	7.8
59.05006	11.5
65.03929	2.9
67.05505	31.3
69.03425	3.1
69.07067	8.1
71.01344	8.4
71.04985	4.4
71.08629	3.4
71.29482	4.0
79.05499	21.9
81.03416	14.8
81.07059	47.7
83.04983	5.6
83.08622	31.9
85.06550	5.6
86.48714	2.6
89.37104	2.6
91.05482	59.3
93.07044	36.5
95.04973	10.4
95.08617	10.9
95.26592	2.4
97.02894	16.7
97.06545	10.6
97.10171	2.6
99.00193	4.4
99.00816	67.8
99.04433	4.0
103.05436	5.0
105.07036	45.6
107.04936	12.4
107.08594	17.4
109.02885	29.2
109.06515	5.6
109.10168	10.8
111.08076	11.8
115.03945	6.4
115.05495	2.9
117.07034	7.4
119.08584	31.5
121.06493	24.5
123.04446	3.6
123.08067	4.5
123.11693	7.4
127.03921	7.4
128.06242	5.3
129.07060	2.5
131.08598	4.0
133.06549	4.4
133.10127	100.0
134.10483	4.2
135.08051	2.7
135.11716	3.0
137.06001	5.3
137.09689	2.8
139.07568	7.7
143.08542	13.3
145.10104	2.9
147.08029	4.4
151.11183	25.9
161.08278	2.9
161.09627	55.1
163.11253	2.6
165.09235	3.3
171.08005	11.5
179.10678	35.5
189.09109	31.4
197.11761	12.5
201.12994	3.0
207.10210	15.8
225.11221	45.4
243.12193	4.4
253.35066	2.4
272.88541	2.4
281.13812	2.8
298.31021	14.2
299.14883	77.9
299.19992	4.1
299.31363	6.8
300.15479	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	16.2
53.03947	8.0
55.01867	12.8
55.05514	56.5
57.03443	34.3
57.07052	2.8
59.05000	7.5
65.03946	1.6
65.97400	1.8
67.05508	28.9
69.03436	5.1
69.07061	6.3
69.50336	7.4
71.01360	8.1
71.04979	2.2
73.02898	3.3
73.06573	1.6
79.05499	24.3
81.03427	15.3
81.07063	44.9
83.04979	10.6
83.08624	31.2
85.06545	4.7
91.05486	49.7
93.07048	38.5
95.04970	11.0
95.08613	8.3
97.02898	13.9
97.06510	9.3
97.10175	3.9
99.00816	65.9
99.01466	3.3
101.02388	1.7
103.05488	3.2
105.04548	1.9
105.07030	44.3
107.04976	17.0
107.08599	17.0
109.02893	26.6
109.06502	8.5
109.10163	14.9
111.04426	4.8
111.08091	9.5
115.03905	8.4
117.07004	11.3
119.04952	2.0
119.08580	32.3
121.02840	1.5
121.06522	18.4
121.10148	1.7
123.04430	5.5
123.08112	3.6
123.11697	6.7
125.09734	1.9
127.03918	10.5
128.06194	5.0
131.08571	7.1
131.31856	1.7
133.06506	6.3
133.10130	100.0
135.08058	6.5
135.11678	1.9
137.05949	4.6
137.09622	2.1
139.07516	10.3
143.08562	10.4
145.10069	3.7
147.04419	2.8
147.08040	4.2
151.11183	31.8
161.09619	62.2
162.09866	2.1
163.07626	1.9
163.11183	2.5
165.09111	3.0
171.08061	11.7
179.10687	40.5
189.09111	34.1
197.11734	15.9
207.10118	13.5
214.89754	1.9
225.11217	49.3
226.11531	2.2
243.12294	8.7
298.19785	2.1
299.14893	85.0
299.19937	8.4
300.15170	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	17.6
53.03940	5.7
55.01865	13.7
55.05513	54.4
57.02451	4.1
57.03443	36.6
58.51753	4.0
59.05007	8.6
67.05511	48.5
68.14143	4.1
69.03436	8.2
69.07067	12.0
71.01344	10.3
71.04975	5.7
79.05497	28.3
81.03437	8.5
81.07049	50.3
83.04969	6.9
83.08624	33.0
85.06530	4.9
91.05493	53.5
93.07045	39.9
95.04970	13.3
95.08582	21.5
97.02900	7.5
97.06551	9.6
97.10162	12.4
99.00822	56.0
105.07043	46.0
107.04952	15.5
107.08598	21.3
109.02868	19.7
109.06529	8.4
109.10161	21.1
111.08071	11.9
113.06020	5.3
115.03915	5.4
116.27299	4.0
117.07008	13.7
119.08582	42.3
121.06488	24.0
123.08037	7.5
123.11709	6.0
125.09660	5.5
127.03871	6.1
128.06168	4.9
131.08571	9.5
133.06488	6.2
133.10130	100.0
135.08119	7.0
137.09657	9.6
139.07559	7.0
141.93365	4.6
143.08586	11.9
145.10115	11.3
151.11205	30.0
159.08037	6.0
159.11703	4.8
161.09612	43.2
171.08028	13.6
179.10686	38.9
189.09085	24.6
197.11688	11.9
205.53212	4.3
207.10246	12.6
225.11205	40.2
230.30113	4.2
243.12148	5.3
257.18835	5.2
299.14877	83.5
299.20267	29.1
299.23309	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	299.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94277	2.3
53.00305	16.3
53.03940	7.3
55.01870	11.9
55.05513	53.6
57.03438	36.3
59.04990	11.2
65.03941	2.0
67.05499	30.4
69.03428	3.3
69.07069	4.9
69.34682	4.2
69.35087	7.3
71.01343	6.3
71.04977	2.1
79.05498	25.3
81.03426	17.6
81.07056	47.1
83.04967	7.4
83.08620	33.7
85.06526	5.3
91.05474	49.5
93.07041	41.9
95.04957	15.4
95.08606	7.3
97.02898	13.9
97.06528	7.7
98.98462	2.7
99.00813	64.5
99.04469	2.8
99.08091	3.1
101.02351	2.7
103.05450	5.1
105.06377	3.6
105.07030	44.2
107.04952	15.5
107.08595	17.8
109.02872	38.4
109.06532	6.9
109.10155	11.5
111.04422	3.1
111.08103	11.1
113.06019	2.7
115.03917	8.9
115.05405	2.2
117.07005	8.7
119.04900	2.6
119.08585	22.3
121.02782	2.3
121.06506	19.0
123.04434	5.2
123.08058	3.0
123.11690	6.1
127.03912	7.4
128.06252	4.6
129.07011	3.0
131.08562	5.1
133.06537	3.7
133.10124	100.0
135.08060	2.7
135.11742	3.9
137.06010	4.7
137.09644	4.2
139.07532	9.6
143.08566	12.5
145.06432	2.9
147.04416	2.4
147.08087	3.5
151.11179	35.0
153.03157	2.5
161.09619	61.1
165.09192	3.3
171.08049	13.6
179.10664	41.2
189.09105	33.0
190.09357	2.3
197.11740	12.0
207.10074	13.4
225.11209	49.0
243.12338	4.7
267.12097	2.5
281.13535	2.8
299.05554	5.0
299.09390	3.5
299.14868	82.6
300.15182	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	16.4
53.03953	8.1
54.37648	1.3
55.01873	13.0
55.05510	58.5
57.03437	37.6
59.04998	6.2
63.31379	1.6
65.03938	2.3
67.05500	34.6
68.47282	1.4
69.03424	7.5
69.07063	8.0
69.16523	9.2
71.01357	8.7
71.04994	3.9
73.02882	3.1
79.05070	2.3
79.05495	28.9
81.03407	13.5
81.07054	46.5
82.07402	2.1
83.04986	9.3
83.08617	34.6
85.06531	3.7
87.04507	1.8
91.05479	59.6
93.07043	44.3
95.04969	14.3
95.08600	14.4
96.06637	1.4
97.02896	15.4
97.06538	12.2
97.10176	3.3
99.00813	67.5
99.04443	2.9
101.02393	2.0
103.05477	4.4
105.07031	52.4
107.04958	16.3
107.08588	19.5
109.02880	36.9
109.06515	9.3
109.10155	14.0
111.04453	4.9
111.08083	12.7
113.06024	3.2
115.03940	11.4
115.05478	2.9
117.07018	9.1
119.04935	3.0
119.08569	25.4
121.02856	12.6
121.06512	18.9
121.10149	2.2
123.04420	3.7
123.08078	4.4
123.11709	5.0
127.03919	9.2
128.06226	6.1
129.06984	4.0
130.06546	1.7
131.08582	5.5
133.06500	3.7
133.10129	100.0
134.10483	3.3
135.08040	4.6
135.11688	3.9
137.05995	4.3
137.09602	3.8
139.03986	1.6
139.07536	8.3
141.32552	1.7
143.08534	13.7
145.06458	3.8
145.10103	2.9
147.04472	3.5
147.08034	3.7
151.11169	31.3
152.11386	1.7
153.06981	1.5
157.10136	1.5
161.09622	58.6
163.07556	1.5
163.11201	1.8
165.01860	3.3
165.09111	3.5
171.08063	11.7
177.09250	1.7
179.09076	2.3
179.10664	44.4
180.11072	1.9
189.09102	37.5
197.11722	11.1
203.03467	3.6
206.08270	2.4
207.10356	11.6
209.10803	2.1
211.08722	3.0
225.11247	33.8
227.11885	2.3
235.08669	14.2
239.08246	1.7
243.12283	6.5
253.09700	3.1
263.08072	2.1
269.09186	1.7
281.09232	12.0
281.13861	1.7
299.05508	33.9
299.10141	21.8
299.14871	72.4
299.20126	4.3
300.05664	1.7
300.15219	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	299.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02083	1.5
53.00100	1.5
53.00315	18.1
53.03960	10.0
55.01878	11.9
55.05516	50.0
57.03443	33.9
57.07074	2.0
59.05000	8.3
61.18237	1.6
67.05508	41.7
68.25411	1.5
69.03415	6.9
69.07063	7.4
70.39222	3.0
70.39609	3.7
71.01349	6.7
71.04993	3.7
73.02908	1.9
79.05079	1.7
79.05499	25.7
81.03425	22.5
81.06594	2.5
81.07065	45.0
83.04987	11.8
83.08630	25.8
84.04507	2.9
85.06537	4.9
91.05486	58.1
91.36700	1.8
93.06484	2.1
93.07053	38.8
95.04973	13.1
95.08612	11.8
97.02904	18.1
97.06525	6.6
97.10172	3.3
99.00195	3.5
99.00823	68.2
99.04444	3.8
99.08102	2.2
100.11263	2.7
101.03622	1.5
103.05444	5.6
105.07034	41.6
107.04948	13.5
107.08604	22.3
109.02885	35.9
109.06538	9.2
109.10168	18.2
111.04428	6.4
111.08089	11.1
113.06014	2.9
115.03910	6.3
117.07043	8.7
119.04919	3.8
119.08588	24.2
121.02869	3.3
121.06522	18.6
121.10133	2.4
123.04429	5.1
123.08025	3.8
123.11711	6.4
125.54785	1.7
127.03910	7.3
128.06200	5.6
131.08574	4.4
133.06497	4.7
133.10139	100.0
134.10442	2.1
135.08044	4.6
135.11624	2.0
137.02361	4.8
137.05974	3.9
137.09624	4.8
139.07530	6.8
141.06987	2.8
143.08574	10.7
145.06526	2.2
145.10127	2.8
147.04385	2.3
147.08069	2.0
151.11194	32.0
154.12241	8.9
161.09633	51.4
165.09137	4.3
169.12164	2.5
171.08031	8.6
179.10661	35.0
185.04227	4.1
187.35168	1.7
189.09134	29.1
197.11757	12.2
207.10185	15.7
225.11241	37.0
243.12326	9.0
263.16516	1.7
275.89868	1.6
281.13882	2.9
299.05652	3.9
299.10791	7.9
299.14868	75.7
299.19913	3.1
300.15182	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	299.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	16.0
53.03946	6.6
55.01873	10.0
55.05516	52.5
56.05843	0.9
57.03439	36.6
57.07082	1.1
59.05004	8.4
61.97301	1.0
64.11583	0.9
65.03934	1.6
67.05507	32.2
67.15429	0.8
69.03431	5.7
69.07074	6.7
69.23957	0.8
69.26119	6.3
71.01355	6.4
71.04986	3.5
73.02916	3.4
77.03909	1.0
79.05497	26.6
80.05820	1.0
81.03421	15.7
81.07060	47.2
81.82951	0.8
82.07372	1.6
83.04995	8.2
83.08621	35.4
84.08938	1.0
85.02897	1.7
85.06574	4.5
91.05483	54.7
92.05842	1.3
93.03393	0.8
93.07049	41.1
94.07352	1.2
95.04967	11.9
95.08608	12.0
97.02887	13.3
97.06538	8.1
97.10168	3.0
98.22588	1.5
99.00821	69.9
99.04462	2.9
99.08094	1.6
101.02386	1.4
103.05508	6.3
104.19551	1.1
105.07036	46.7
107.04958	17.0
107.08599	19.8
109.02883	35.1
109.06515	9.5
109.09458	1.3
109.10159	13.7
111.04446	3.9
111.08077	9.3
113.06026	1.2
115.03933	8.2
117.07024	7.3
119.04911	2.7
119.08584	21.5
121.02870	2.8
121.06511	20.8
121.10181	1.0
123.04443	5.1
123.08086	3.7
123.11719	7.3
125.06024	1.4
125.09602	1.1
127.03922	8.6
128.06200	5.7
129.07030	2.7
131.08589	4.8
133.06506	4.8
133.10132	100.0
134.10471	2.9
135.08078	5.0
135.11717	3.0
137.02338	1.4
137.05984	6.3
137.09625	3.2
139.07533	10.6
141.05449	1.3
143.08569	12.5
145.06494	3.1
145.10114	1.6
147.04430	2.5
147.08069	3.9
151.11188	34.5
153.06979	1.7
161.09627	60.4
162.09990	3.0
163.11201	2.8
165.09099	2.2
171.08057	11.7
179.10675	35.1
180.11043	1.4
189.09123	33.9
197.11742	14.1
203.03378	2.2
207.10156	15.7
221.75435	0.9
225.11223	38.2
226.11595	2.2
243.12294	6.3
281.13870	2.2
299.05936	5.0
299.09390	4.2
299.14902	74.5
299.20316	2.3
300.15173	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2005
Annotation	Abieta-8,11,13,15-tetraen-18-oic acid
Peak:m/z	Relative Intensity
53.03942	1.5
54.92154	0.9
55.01867	1.5
55.05504	4.0
57.03431	1.5
57.07065	1.5
66.07536	0.8
67.05508	5.8
69.03429	1.8
69.07079	4.6
70.07273	1.2
79.05499	7.2
81.03426	1.6
81.07064	6.3
83.04962	3.0
83.08609	4.9
91.05481	34.5
93.07042	6.8
95.04945	2.4
95.08606	6.2
97.06541	6.8
103.05459	1.5
105.07037	18.9
107.08597	8.7
109.02865	1.2
109.06516	3.6
109.10136	2.6
115.05458	3.0
116.06254	7.1
117.07013	3.2
119.04933	9.7
119.07778	1.8
119.08578	18.3
121.06538	1.2
121.10169	7.4
123.08045	2.6
123.11668	1.3
125.09623	3.2
128.06229	2.1
129.07010	11.1
131.08574	46.9
132.08868	1.0
133.06499	1.9
133.10146	6.9
133.73764	0.8
135.08080	1.9
141.06992	1.1
142.07785	3.4
143.08553	4.0
145.06482	2.6
145.10104	5.0
147.08035	2.4
147.11668	1.1
149.09669	4.1
151.11171	1.7
155.08577	2.6
156.09319	3.8
157.06410	0.9
157.10136	6.2
159.08057	100.0
159.11655	3.2
160.08394	3.1
161.09598	3.1
161.13150	1.0
163.11200	1.4
167.08548	1.5
167.10713	1.1
169.10114	2.4
170.10854	1.1
171.10437	1.1
171.11705	5.0
173.13249	1.4
179.08521	0.8
179.10666	1.5
180.09192	0.9
181.10092	1.8
182.10892	1.2
183.11649	3.4
185.09612	2.5
185.13333	1.7
187.11275	1.3
189.09143	1.0
189.12730	3.3
193.10159	1.7
195.11761	2.2
197.13226	5.3
199.11169	7.9
199.14877	1.2
201.12689	1.7
203.07047	3.3
203.10710	2.2
207.11742	3.1
209.09564	0.9
209.13396	1.0
210.10461	1.2
211.11258	1.7
211.14848	1.5
213.05403	1.3
213.12848	1.2
215.14436	1.1
221.13245	2.9
223.14890	1.7
225.12929	4.2
237.16380	1.0
239.14304	1.5
243.13834	2.8
248.15511	0.9
253.19543	1.1
257.19055	3.3
263.17990	4.1
281.19028	21.7
282.19257	1.2
299.09378	1.9
299.12796	5.9
299.20041	49.8
300.20422	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	299.2005
Annotation	3-Hydroxy-19-norpregna-1,3,5(10)-trien-20-one
Peak:m/z	Relative Intensity
51.32459	0.7
51.41629	0.9
53.03938	1.6
55.01868	1.4
55.05509	6.0
57.03438	1.6
57.07053	1.2
59.27087	0.9
65.03967	1.0
67.05502	8.3
69.03425	1.4
69.07086	4.7
71.21100	2.0
75.88696	0.9
79.05497	5.2
80.80527	0.9
81.03410	2.0
81.07057	6.6
83.04950	2.8
83.08608	3.6
91.05486	32.1
93.07037	7.0
95.04961	2.6
95.08617	7.2
97.06510	3.3
99.00842	1.8
103.05471	1.5
105.07033	22.2
107.04990	0.9
107.08596	9.5
109.02895	1.5
109.06525	2.1
109.10159	3.9
111.08054	1.1
115.05434	3.6
116.06248	7.2
117.07024	2.3
119.04940	7.8
119.05729	1.3
119.08591	16.0
120.96313	1.2
121.06490	1.4
121.10162	6.9
123.08051	3.4
123.11676	1.6
125.09648	1.9
128.06216	1.6
129.07008	8.4
131.08566	45.4
132.08823	1.7
133.06433	1.0
133.10118	7.3
135.08066	1.9
137.09607	1.4
141.06934	1.1
142.07774	2.6
143.08525	3.9
145.06441	1.2
145.10098	3.0
147.08069	1.7
149.09639	4.9
151.11179	1.6
155.08548	2.7
156.09326	2.6
157.10144	6.1
159.08054	100.0
159.11668	2.5
160.08421	2.2
161.09601	3.9
161.13292	2.0
163.03886	1.8
163.11159	1.2
166.07765	1.0
167.08582	1.3
169.10133	2.4
171.11728	4.5
173.09538	1.6
175.11192	2.1
179.08560	1.1
179.10730	1.5
181.10103	1.1
182.10880	1.8
183.11674	3.5
185.09544	1.1
185.13214	1.7
187.03960	1.1
187.11134	1.2
189.12755	4.3
193.10164	1.5
195.11650	1.2
197.13275	3.3
199.11142	7.3
199.14804	1.5
201.12817	1.9
203.07034	2.1
206.10841	1.5
207.11732	3.1
211.11218	1.8
211.14777	1.7
213.12695	2.8
215.14267	1.7
221.13329	1.5
223.14815	2.8
225.12857	4.9
233.13303	1.3
234.13939	0.9
239.14293	1.9
239.17838	2.1
240.50111	0.9
243.13811	1.7
248.15637	1.2
252.95000	0.9
253.19569	1.1
255.17476	1.2
257.19019	2.3
263.17984	4.9
281.19003	21.2
299.12714	3.3
299.20044	47.3
300.20370	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	300.0241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15424	1.6
52.50964	1.2
56.96572	7.7
70.48838	2.6
71.95257	2.3
98.97588	100.0
99.97888	1.5
100.23827	1.7
101.00918	1.5
112.65432	1.4
116.98628	45.5
134.99673	11.6
179.00781	1.9
201.47845	1.5
219.02022	3.0
220.02095	8.9
221.01791	7.8
233.96887	2.0
240.98756	2.4
251.97908	1.9
257.97012	2.0
258.96915	3.2
258.99771	47.9
259.99826	2.5
261.03159	2.4
263.02866	17.2
271.65900	1.4
272.94543	1.5
275.97824	4.7
276.97653	3.1
277.00821	65.6
277.03928	3.5
278.00974	3.9
294.98477	1.6
299.97870	10.7
300.09915	2.8
300.97867	3.3
301.00995	3.3
317.98911	15.1
318.98749	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54959	1.2
53.03960	1.1
56.96579	4.1
57.03492	1.2
69.03445	2.5
69.80855	2.3
69.81246	2.0
70.06618	1.2
81.03452	1.2
85.02919	3.2
97.02894	5.6
98.97595	9.8
101.00893	2.7
109.02932	1.3
110.97621	3.1
113.00939	1.8
116.98665	3.2
119.01970	4.6
121.02857	1.4
128.98619	2.9
131.01979	3.8
139.03705	7.4
140.03464	3.0
145.03494	1.9
154.94212	1.5
155.01950	2.8
157.03595	3.4
157.04938	1.7
161.02972	1.2
173.03023	2.7
174.61700	1.3
181.03490	1.6
185.04315	4.1
199.04553	10.4
203.05380	1.6
211.04550	7.3
216.98813	1.1
217.05663	1.4
219.01872	4.2
221.05157	3.6
223.04625	2.3
228.69193	1.1
229.05641	1.2
237.02850	7.0
241.05698	3.4
277.00897	1.8
301.09073	100.0
302.01010	1.8
302.09280	3.6
319.08810	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	301.0895
Annotation	59-43-8
Peak:m/z	Relative Intensity
51.31598	0.4
53.86688	0.4
56.96565	1.2
58.99857	0.5
68.98286	0.5
69.03425	3.9
70.06604	0.7
70.99862	0.8
71.19117	0.7
80.92425	0.5
81.03422	5.6
82.99866	1.6
83.04981	0.6
85.02914	1.6
89.00939	0.6
97.01411	0.6
97.02898	1.9
98.97581	3.2
101.00889	11.9
101.01566	0.6
101.85708	0.5
105.88036	0.4
109.02931	0.6
110.97579	0.6
113.00882	5.0
115.02448	2.0
116.98666	1.5
119.01920	13.4
119.02785	0.7
120.01966	0.7
123.02144	0.8
127.02409	3.0
127.03945	0.6
128.98643	0.7
129.00420	0.5
131.01906	8.5
132.01970	0.4
133.03467	1.5
137.00951	0.6
137.01973	0.9
137.02950	0.9
138.01631	0.9
139.02470	2.5
139.03404	0.5
140.03415	1.0
140.07071	0.8
141.02156	0.5
143.01895	18.3
144.01842	0.5
145.03474	7.0
146.03506	0.5
149.03015	0.7
149.51936	0.4
149.57678	0.5
150.02699	0.7
153.03966	1.7
155.01877	5.6
156.02695	3.3
157.03476	14.5
158.03610	0.8
161.02951	23.5
162.03003	1.1
163.04538	0.6
165.03210	0.6
169.03442	0.6
169.54622	0.6
171.05054	10.2
172.05272	0.6
173.02969	7.2
175.03123	0.5
175.04535	2.8
177.00897	0.6
180.03783	1.0
180.97658	1.1
181.03461	14.5
182.03711	0.8
183.05089	2.8
185.02916	2.8
187.04578	1.5
189.06128	1.2
193.03479	1.6
195.05016	0.8
197.03044	0.9
198.98569	4.5
199.04521	22.7
200.04732	1.5
201.04355	1.7
201.06119	1.3
201.54384	0.9
203.04010	13.2
204.04222	1.0
205.03539	0.5
210.04881	1.2
211.04616	3.9
213.04344	0.6
219.01845	1.8
219.04080	0.5
221.05064	44.3
222.04994	2.6
223.04333	2.2
228.04903	0.8
229.05569	0.9
232.96440	0.5
237.02843	0.8
239.06216	0.7
241.05563	6.6
243.05402	1.0
245.05089	4.1
252.05743	0.5
253.05727	0.8
257.05060	0.5
259.00229	0.5
259.06650	0.5
271.06635	13.3
271.09427	0.9
283.06613	0.5
289.07578	4.6
301.08948	100.0
302.09348	3.4
319.08734	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0919
Annotation	p-hydroxybenzoyl glucose
Peak:m/z	Relative Intensity
53.03936	0.9
58.32026	0.7
67.05497	2.5
69.03417	2.1
69.60121	4.1
70.06585	1.2
71.58689	0.7
72.75578	0.7
81.03413	1.1
82.01163	0.7
82.56543	0.8
84.04503	1.0
85.02895	3.7
87.52310	0.7
94.31564	0.8
95.04965	3.9
97.02886	3.1
98.97585	0.9
116.98538	1.0
121.02854	1.3
124.69268	0.6
127.03923	1.7
139.03900	3.6
140.03430	1.1
140.07074	4.6
154.08601	1.2
182.08131	4.7
202.31792	0.6
206.08147	0.9
216.70135	0.7
221.04955	0.9
278.37683	0.8
301.12531	100.0
302.12885	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	301.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00371	0.3
59.28184	0.3
69.03428	0.6
69.60241	1.6
71.95825	0.4
78.69994	0.3
81.00434	0.4
81.03431	0.4
85.02894	0.8
95.81167	0.3
97.02882	0.6
97.34608	0.4
102.72169	0.4
109.02857	0.4
139.03883	0.8
140.03423	0.9
140.07068	0.9
171.07654	0.9
203.05354	0.4
221.04921	0.4
269.14914	0.6
283.06372	0.4
301.12564	100.0
302.12830	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.2
55.01870	32.3
55.05275	2.1
55.05514	27.8
57.03441	27.7
57.07071	1.7
59.04992	3.3
65.03925	2.7
67.05505	52.6
69.03434	2.4
69.07073	12.0
71.04994	7.5
73.02917	2.4
75.31958	1.8
79.05489	36.9
81.03411	9.6
81.07053	35.7
83.01331	8.5
83.04979	71.9
83.08614	17.0
85.02900	9.4
85.06552	6.8
91.05474	24.0
93.07040	52.5
95.04959	10.2
95.08610	14.4
97.02897	2.2
97.06531	18.3
97.10166	2.3
98.22612	2.2
99.04475	10.4
99.08083	3.9
101.02374	4.5
103.05507	2.3
105.07030	14.1
107.04967	13.1
107.08603	29.0
109.06507	9.4
109.10156	27.5
111.04439	100.0
111.08080	32.3
112.35295	1.4
115.05435	2.0
117.07027	12.4
119.08592	21.1
121.06508	7.4
121.10130	29.5
123.08053	5.6
123.52296	1.6
125.05993	7.9
129.06979	6.0
131.08549	14.5
133.10133	4.0
135.08015	4.9
135.11688	42.7
137.09612	3.1
143.08539	2.8
145.06439	3.6
145.10123	36.2
147.08003	2.4
147.11678	9.6
149.05981	2.1
149.09604	10.1
153.12737	51.7
154.13034	2.2
155.08546	3.5
161.09586	1.9
163.11179	87.8
164.11533	4.5
173.09637	14.3
181.12228	85.6
181.13864	3.1
182.12538	3.6
191.10670	82.2
192.10985	4.4
209.11732	25.4
213.10255	1.6
227.12784	84.5
228.13062	2.7
240.08755	1.6
241.09747	1.9
242.10327	1.6
255.11273	6.3
255.21086	2.2
273.12225	1.7
283.10620	2.9
283.15402	29.8
284.15646	2.2
301.03516	1.5
301.06958	2.8
301.11752	13.8
301.16418	45.4
302.16858	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11452	1.3
53.03941	5.7
55.01871	26.5
55.05512	19.4
57.03439	25.2
57.07056	1.7
59.05003	2.0
63.57301	1.4
67.05504	45.0
69.03429	3.1
69.07057	9.6
70.60188	2.7
71.05000	9.3
73.02910	3.7
79.05069	2.1
79.05491	27.0
81.03414	5.4
81.07053	30.6
83.04982	57.9
83.08611	11.4
85.02921	6.9
85.06552	4.4
91.05479	18.4
93.07043	44.7
95.04971	7.2
95.08603	15.8
97.02875	2.0
97.06511	15.1
97.10175	2.2
99.04449	10.0
99.08085	3.8
103.05394	1.6
105.07047	10.4
107.04955	8.5
107.08594	24.2
109.06513	5.0
109.10160	23.2
111.04442	100.0
111.08080	27.5
112.04751	2.8
113.05992	1.3
117.07003	8.5
119.08588	12.7
121.06495	5.1
121.10152	28.1
123.08019	2.2
125.05975	5.1
127.03934	1.8
129.07057	3.4
130.07756	2.0
131.08551	13.3
133.10123	4.0
134.80164	1.4
135.08069	2.8
135.11690	29.7
137.09608	2.1
139.07565	2.0
139.11191	2.1
143.08586	1.4
145.10120	27.4
147.08038	2.2
147.11688	6.9
149.09593	9.2
153.12747	41.2
155.08557	4.3
163.11183	66.9
164.11601	2.3
173.09586	12.6
181.12231	74.1
182.12589	2.3
185.10925	1.8
191.10669	62.4
192.11011	3.3
199.08717	8.0
209.11726	30.6
213.10265	5.1
214.10966	10.7
227.08206	2.9
227.12784	72.6
228.13087	3.5
229.13380	3.1
241.09738	4.5
241.12047	1.5
242.10455	4.9
257.12918	2.4
258.10077	2.8
273.12299	9.3
283.15375	9.7
301.03839	1.7
301.11789	59.9
301.16418	40.8
301.21765	4.1
302.12280	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	8.9
55.01870	29.5
55.05515	69.8
57.03440	29.2
57.07088	7.9
58.31049	4.1
59.05002	9.8
65.03951	7.2
67.05510	70.6
69.07072	39.3
69.47660	29.5
71.05000	22.4
79.05492	67.9
81.03431	22.2
81.07059	98.1
83.01350	31.6
83.04982	49.0
83.08617	40.5
85.02919	13.6
85.06544	11.2
91.05487	52.7
93.07046	100.0
95.04980	46.8
95.08606	57.1
97.02890	10.2
97.06528	90.2
97.10147	8.0
99.04466	7.8
103.05501	10.1
105.07031	59.3
107.04976	21.9
107.08582	69.1
109.06527	16.5
109.10140	44.0
111.04458	20.0
111.08115	9.0
113.09680	4.6
117.07038	30.4
119.08575	49.6
121.06507	19.3
121.10136	47.6
123.08080	19.8
123.11726	11.1
125.05980	6.8
125.09669	9.5
128.06178	5.9
128.79707	5.5
129.07022	13.9
130.06528	6.1
131.04932	8.1
131.08575	39.6
133.06564	5.6
133.10098	32.2
135.08072	15.9
135.11703	49.5
136.12143	5.6
137.09653	6.8
137.13284	6.5
142.07710	5.6
143.08600	12.7
145.06534	8.4
145.10115	61.8
147.08080	8.9
147.11726	16.8
148.61853	5.2
149.06001	8.6
149.09612	21.3
149.13287	19.3
153.12784	18.8
155.08540	7.8
156.12201	4.8
157.10170	16.2
159.08061	12.5
159.11700	18.4
161.09583	12.6
163.11183	76.9
165.09119	26.4
171.11667	8.3
173.02449	9.8
173.09616	20.7
173.13249	13.7
175.07565	11.4
175.11165	11.0
176.04623	7.0
177.09138	5.3
181.10315	4.6
181.12196	28.9
185.09651	7.8
185.13321	10.6
187.07552	9.9
187.14740	7.7
191.10680	40.6
197.13298	6.8
199.14790	10.0
201.09126	15.9
201.16386	11.2
203.07068	11.3
205.08607	26.8
205.12161	32.3
209.11693	25.1
214.12286	8.8
215.03383	5.8
215.07173	7.4
227.12624	18.2
241.12247	12.5
255.11386	11.3
255.20963	9.9
256.07602	7.2
257.11722	8.3
258.10938	6.3
272.07947	9.9
272.51910	5.3
273.03946	5.5
273.08688	15.3
273.12115	5.5
279.47714	6.3
283.10696	11.2
283.15393	50.1
283.20633	20.3
301.11703	65.9
301.14490	47.4
301.17914	11.1
301.21545	86.3
302.08334	5.7
302.21774	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	301.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11452	1.3
53.03941	5.7
55.01871	26.5
55.05512	19.4
57.03439	25.2
57.07056	1.7
59.05003	2.0
63.57301	1.4
67.05504	45.0
69.03429	3.1
69.07057	9.6
70.60188	2.7
71.05000	9.3
73.02910	3.7
79.05069	2.1
79.05491	27.0
81.03414	5.4
81.07053	30.6
83.04982	57.9
83.08611	11.4
85.02921	6.9
85.06552	4.4
91.05479	18.4
93.07043	44.7
95.04971	7.2
95.08603	15.8
97.02875	2.0
97.06511	15.1
97.10175	2.2
99.04449	10.0
99.08085	3.8
103.05394	1.6
105.07047	10.4
107.04955	8.5
107.08594	24.2
109.06513	5.0
109.10160	23.2
111.04442	100.0
111.08080	27.5
112.04751	2.8
113.05992	1.3
117.07003	8.5
119.08588	12.7
121.06495	5.1
121.10152	28.1
123.08019	2.2
125.05975	5.1
127.03934	1.8
129.07057	3.4
130.07756	2.0
131.08551	13.3
133.10123	4.0
134.80164	1.4
135.08069	2.8
135.11690	29.7
137.09608	2.1
139.07565	2.0
139.11191	2.1
143.08586	1.4
145.10120	27.4
147.08038	2.2
147.11688	6.9
149.09593	9.2
153.12747	41.2
155.08557	4.3
163.11183	66.9
164.11601	2.3
173.09586	12.6
181.12231	74.1
182.12589	2.3
185.10925	1.8
191.10669	62.4
192.11011	3.3
199.08717	8.0
209.11726	30.6
213.10265	5.1
214.10966	10.7
227.08206	2.9
227.12784	72.6
228.13087	3.5
229.13380	3.1
241.09738	4.5
241.12047	1.5
242.10455	4.9
257.12918	2.4
258.10077	2.8
273.12299	9.3
283.15375	9.7
301.03839	1.7
301.11789	59.9
301.16418	40.8
301.21765	4.1
302.12280	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1643
Annotation	Strobilol C
Peak:m/z	Relative Intensity
52.73152	9.8
53.03961	12.2
55.01861	31.2
55.05502	67.7
57.03431	36.9
67.05513	90.7
69.03409	12.5
69.07061	28.9
69.34068	21.1
69.34473	49.9
71.04984	13.8
79.05488	79.0
81.03413	24.3
81.07050	100.0
83.01331	27.1
83.04980	61.9
83.08605	32.9
84.05866	10.7
85.02944	13.8
91.05498	57.9
93.07027	89.6
94.79800	11.0
95.04974	27.8
95.08611	75.7
97.02909	11.8
97.06539	71.2
105.07011	71.2
107.04962	28.4
107.08570	71.0
109.10136	45.7
111.04437	40.4
111.08086	13.1
115.05389	11.4
117.06994	22.9
119.08584	47.1
121.06457	22.0
121.10144	50.8
125.09602	19.6
129.06990	21.4
129.67296	11.3
131.08557	35.2
133.10135	30.5
135.08041	20.0
135.11679	54.3
137.09579	15.0
141.41441	11.4
143.08536	14.9
145.10095	80.8
147.07993	15.2
147.11742	14.0
149.09612	23.9
153.12791	16.2
157.10223	14.1
159.11665	38.1
161.09636	14.4
163.11139	75.5
173.09615	31.2
173.13272	17.6
175.07639	15.8
181.12207	43.2
191.10661	39.4
205.08653	11.2
209.11742	28.6
227.12779	70.0
228.64198	13.4
255.11281	17.6
283.15311	41.8
283.20532	14.6
301.11411	24.3
301.21591	78.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2162
Annotation	Dehydroabietic acid
Peak:m/z	Relative Intensity
55.01872	3.6
55.05515	18.4
56.32365	1.2
57.03429	1.8
57.07053	1.4
65.03950	2.6
67.05508	61.4
69.03428	4.4
69.07071	22.8
69.41166	6.4
71.04977	2.7
79.05493	12.6
81.03441	2.0
81.07056	26.4
83.08610	2.5
91.05478	17.5
93.07051	23.9
95.04973	27.6
95.08616	21.7
97.06540	4.3
98.22703	2.8
104.06294	1.3
104.91467	1.2
105.07044	17.0
107.04982	2.3
107.08600	46.0
109.06529	15.9
109.10164	85.4
110.10480	2.4
117.07036	4.0
119.08589	57.3
120.08933	1.8
121.06488	6.1
121.10137	9.7
122.07317	6.2
123.08075	24.1
123.11703	3.5
129.06918	1.7
131.08577	5.9
133.10149	12.0
135.07219	1.0
135.08061	38.6
135.11697	5.5
137.09627	63.3
138.09917	2.1
142.07797	1.6
143.08594	5.0
144.30103	1.2
145.10127	7.4
147.08058	2.9
147.11703	3.2
148.08823	2.4
149.09613	7.7
149.13228	1.5
151.07567	3.4
155.08554	2.3
156.09409	1.9
157.10124	3.7
159.11688	4.2
161.09630	11.5
161.13261	6.2
163.11218	4.1
163.14874	1.7
165.09142	2.9
165.12799	9.5
169.10139	2.2
169.86412	1.4
171.11734	1.8
173.13300	2.3
175.11177	1.4
175.14862	2.6
176.12003	3.3
187.14922	1.9
191.14316	100.0
192.14742	2.7
193.12407	1.7
203.14336	1.8
205.15924	8.5
207.13828	2.8
209.13380	1.8
213.12794	2.6
216.15320	1.5
217.15921	4.8
221.15387	7.3
241.19579	1.7
255.17476	1.5
283.20511	6.5
301.21661	75.3
302.22055	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2161
Annotation	Dehydroabietic acid
Peak:m/z	Relative Intensity
50.52605	1.4
52.31595	1.5
53.03942	2.7
55.01866	3.5
55.05301	1.3
55.05514	13.3
57.07074	1.5
59.05000	1.7
61.57639	1.5
65.03942	1.8
67.05502	51.3
69.03418	2.8
69.07069	19.4
71.04964	2.2
79.05489	8.2
81.03410	2.3
81.07055	27.0
82.98540	1.5
83.04957	1.9
83.08620	3.1
91.05473	11.6
93.07044	19.8
95.04969	24.6
95.08611	20.8
96.20486	1.5
97.06519	5.9
104.29852	1.5
105.07048	12.8
107.04960	2.1
107.08597	41.5
108.08987	1.9
109.06538	17.0
109.10156	100.0
110.10491	2.6
111.08096	1.5
117.07020	4.0
119.06151	1.6
119.08579	59.5
121.06488	5.3
121.10163	10.3
122.07293	3.8
123.08068	22.7
123.11678	2.5
131.08566	5.9
133.10170	7.9
135.08054	30.1
135.11670	6.9
137.09613	78.1
137.13173	1.7
138.09914	1.6
143.08527	4.0
145.10141	10.6
147.11714	5.2
148.08797	1.9
149.09563	6.6
149.13214	1.9
151.07451	2.6
157.10149	4.4
159.11710	1.8
161.09630	9.3
161.13284	6.3
163.11183	4.3
165.09167	2.2
165.12741	10.3
171.11644	4.8
173.13229	4.7
175.11166	1.9
175.14845	2.9
176.11938	2.0
177.12819	2.1
181.12256	1.9
185.13229	2.6
187.14844	2.7
189.12955	1.5
191.14308	94.0
192.14713	5.1
193.12274	1.9
205.15926	9.6
207.13864	2.9
213.12695	3.4
217.15892	7.5
221.15344	8.9
241.19571	1.7
255.90256	1.9
265.19513	1.8
283.20618	8.9
301.21622	77.2
302.21964	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	301.2161
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
55.01860	1.8
55.05518	10.1
57.07076	14.0
65.03947	1.7
67.05505	15.4
69.03416	2.4
69.07057	7.1
69.82068	3.2
69.82457	3.1
70.06586	11.8
71.04992	9.1
71.08633	32.1
79.05495	14.7
81.07063	19.7
82.76906	1.2
83.04961	1.8
83.08597	3.2
85.06500	2.4
85.42021	1.4
88.07633	18.7
88.58787	1.4
91.04971	2.1
91.05482	23.3
93.07037	14.8
95.04951	5.1
95.08606	12.7
97.06539	5.4
99.08086	22.5
102.09185	3.2
105.07034	26.0
106.08671	9.3
107.04958	1.8
107.08582	12.4
109.06524	12.0
109.10169	11.2
109.14497	1.4
111.08094	2.2
115.05454	3.4
117.07012	27.6
119.08574	23.6
121.06532	4.5
121.10134	9.6
121.82545	1.4
123.08011	2.1
123.11764	3.2
128.06215	7.4
129.07004	25.9
130.07825	2.9
131.08574	35.0
133.10150	10.1
135.08029	9.8
135.11710	4.9
141.07014	10.7
141.12733	24.2
142.07755	2.9
143.08565	24.5
143.96135	1.7
144.09334	3.5
145.06467	2.8
145.10112	24.0
146.07188	2.1
147.08104	2.8
147.11708	5.4
149.09601	2.0
149.13249	2.9
154.07727	2.4
155.08553	18.7
157.10144	17.3
158.10829	4.8
159.08022	4.0
159.11697	8.5
161.09628	24.8
161.13249	3.9
162.10101	2.3
167.08559	3.6
169.10097	20.0
170.10675	1.6
171.07951	2.7
171.11688	12.1
173.09625	2.9
173.13252	28.4
175.11220	3.7
175.14848	4.1
181.10127	6.5
183.11697	7.0
185.09648	4.4
185.13272	11.2
187.11179	33.3
187.14838	5.1
191.14333	7.3
194.10800	2.7
195.11681	5.5
197.13220	2.6
199.11104	7.3
199.14862	5.4
201.12759	4.6
201.16396	4.0
203.14310	6.2
209.13335	7.7
213.12778	4.6
213.16382	2.1
217.15828	2.2
223.14766	2.1
227.14293	3.1
231.13779	2.3
239.17955	12.3
241.19539	4.4
255.21059	2.4
257.18958	4.1
265.19608	10.1
266.56174	1.7
283.20575	21.0
284.29468	4.3
301.18091	3.4
301.21616	67.2
302.21973	3.7
302.30527	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2164
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
53.03956	1.6
55.01876	2.0
55.05508	9.2
57.07067	9.9
67.05505	11.3
69.07059	6.9
69.48566	4.4
69.48958	3.0
70.06595	13.0
71.04987	7.2
71.08633	28.7
72.08957	1.7
79.05505	11.9
81.07053	13.2
83.04983	3.1
83.08607	2.9
85.10197	2.1
88.03783	1.7
88.07626	17.1
91.05477	19.0
93.07037	14.4
95.04980	5.9
95.08614	11.2
97.06538	5.2
99.08099	23.1
102.09171	5.4
105.07035	22.8
106.08655	7.4
107.04980	2.0
107.08591	12.1
109.06499	10.5
109.10163	8.5
111.08068	3.4
115.05428	3.0
116.47202	1.7
117.07030	20.3
119.08566	18.7
119.09227	1.9
121.06496	4.2
121.10158	8.9
123.11728	2.6
123.85962	1.7
125.09631	1.6
128.06245	6.9
129.07022	21.9
130.07808	2.9
131.08569	29.8
133.10129	17.5
135.08029	6.8
135.11696	3.9
136.53537	2.0
141.07025	8.0
141.12738	20.1
142.07764	3.7
143.08566	26.5
144.09314	4.2
145.06444	3.4
145.10112	23.6
146.07277	2.4
147.08037	4.0
147.11676	6.4
149.09583	2.5
149.13264	2.8
154.07758	2.2
155.08569	20.0
156.09317	2.7
157.10121	14.9
158.10974	4.2
159.08105	4.0
159.11696	7.6
161.09607	19.3
161.13264	3.0
165.06900	2.3
167.08597	4.2
169.10107	16.7
171.11662	10.3
173.13269	32.1
175.11220	5.2
175.14835	4.9
181.10150	7.6
183.11719	6.2
185.09650	5.8
185.13260	12.9
187.11194	28.0
187.14836	4.8
191.14330	7.8
194.10866	2.2
195.11722	5.1
199.11177	8.4
199.14865	7.2
201.12746	2.6
201.16458	3.1
203.14320	5.2
209.13286	7.3
213.12660	3.4
213.16428	4.8
217.12303	2.4
217.15891	3.3
223.14777	2.8
227.14296	5.4
231.13925	2.0
239.17897	12.7
241.19542	6.1
245.15344	2.9
245.19026	2.2
255.21231	3.6
257.18939	3.9
265.19525	10.6
283.20590	18.8
284.29550	5.7
301.21622	67.9
302.21988	2.9
302.30530	100.0
321.75385	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2162
Annotation	4-Oxoretinol
Peak:m/z	Relative Intensity
53.03941	2.7
55.01862	5.1
55.05506	10.3
56.05037	3.2
57.07071	5.5
67.05503	18.9
69.07064	8.3
71.04994	22.7
71.08633	69.9
72.08984	2.5
74.06087	3.5
79.05506	15.0
81.03398	2.4
81.07056	16.6
83.04971	4.9
83.08623	2.7
85.06540	5.3
88.07629	13.0
91.05486	28.3
91.24081	1.7
93.07040	12.5
93.52840	2.0
95.04956	3.3
95.08611	9.1
97.06541	8.8
97.10158	2.2
99.08099	49.5
99.08745	2.7
103.05443	2.9
105.07035	21.8
106.07405	2.2
107.04906	2.9
107.08578	7.6
109.06490	3.7
109.10168	4.2
111.08075	2.3
115.05476	4.5
117.07007	27.2
119.08588	14.4
121.06483	4.7
121.10137	4.0
123.08094	2.7
123.11711	1.9
127.11179	2.1
128.06204	11.2
129.07011	31.9
130.07809	2.2
131.08569	30.8
133.06473	4.5
133.10124	6.2
134.08159	2.0
135.08052	3.8
135.11723	2.2
141.07010	17.4
141.12744	50.3
142.07782	2.2
143.08571	30.7
145.06523	4.4
145.10115	21.7
147.08060	8.0
147.11688	2.9
149.09663	2.4
151.11211	4.5
154.07777	4.5
155.08542	31.6
157.10107	13.8
159.08069	6.4
159.11681	9.8
161.09622	7.3
161.13275	3.7
163.11191	2.4
166.07870	1.7
167.08510	4.3
169.07495	2.0
169.10139	37.8
170.10657	1.9
171.08112	2.6
171.11702	17.0
173.13275	3.1
175.11197	5.0
181.10104	8.8
183.11714	5.4
185.09647	5.3
185.13268	14.3
187.09485	2.4
187.11172	48.5
187.14815	3.3
195.11646	10.9
199.11177	8.1
199.14822	4.3
201.12717	2.5
201.16432	3.6
203.14301	10.2
209.13260	4.9
213.12785	8.3
215.14281	2.4
217.15924	6.6
219.17506	2.6
228.99406	1.8
239.17953	22.9
241.19417	5.0
242.24777	4.2
245.18950	2.1
255.21054	5.1
257.19000	5.5
257.26752	3.0
265.19446	10.0
273.18500	2.0
283.20486	25.5
301.14197	4.0
301.21616	100.0
302.22028	6.3
302.26901	16.8
302.30612	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	302.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74374	1.0
55.01874	2.3
56.96572	1.3
57.03426	3.0
61.02927	3.8
65.03944	2.0
67.05505	39.6
69.03433	20.9
69.07067	10.7
69.60200	6.1
70.84745	1.2
71.04986	2.7
73.02915	1.4
81.03426	7.1
84.08144	2.6
85.02906	45.4
86.09679	1.2
87.04514	1.1
94.06582	2.6
95.04971	65.6
96.05282	1.6
97.02893	41.1
99.04444	1.8
103.03935	3.5
109.02882	10.1
111.04472	1.2
112.07611	38.9
113.06038	6.3
122.06057	2.3
123.04442	2.6
124.07622	3.4
127.03915	10.7
136.07579	3.6
140.03416	2.4
140.07063	100.0
141.05513	1.5
141.07404	1.5
145.04976	3.3
152.07057	1.9
154.08632	7.3
170.08130	1.2
178.08644	3.9
182.08125	68.4
183.08481	1.6
206.08171	14.8
210.46724	1.2
216.19029	1.0
218.08075	2.4
236.09242	2.1
248.09212	7.5
257.30426	1.2
302.12811	16.4
303.10648	1.8
303.14059	18.5
312.47217	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26468	4.4
54.05396	4.3
57.03433	4.5
61.02937	6.0
67.05500	9.6
69.03418	14.6
70.02341	17.5
73.02904	4.2
73.19686	4.0
73.96478	3.9
79.05492	9.2
81.03445	6.6
81.07037	12.3
85.02895	96.2
91.05505	5.4
95.04951	5.5
97.02896	39.2
98.22710	4.7
100.11651	4.7
104.07909	4.2
108.08099	14.7
109.02858	14.5
122.06059	9.7
125.06004	4.9
126.05508	8.2
127.03899	14.5
128.90825	3.9
133.98654	5.0
136.07573	17.9
137.66774	4.0
140.07074	49.9
145.04877	5.6
150.09102	7.7
152.07057	18.8
152.47543	5.1
154.85005	4.2
164.07013	22.9
164.70390	4.5
178.08594	12.8
182.08125	100.0
190.46851	4.3
206.08113	40.2
248.09131	6.3
251.40804	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	302.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	4.2
61.02933	2.2
65.03931	3.7
67.05504	39.1
69.03427	16.0
69.07067	8.3
69.10744	6.8
71.04989	2.0
73.02915	1.5
81.03428	4.7
84.04504	1.2
85.02902	43.3
94.06551	1.6
95.04968	58.7
96.05270	1.6
97.02889	41.6
99.04460	1.5
103.03948	5.1
109.02876	11.2
112.07603	34.8
112.08348	2.0
113.06033	5.1
122.06037	2.4
123.04411	1.3
124.07630	2.5
127.03923	9.6
130.06509	1.2
136.07629	2.9
137.20888	1.4
140.07060	100.0
141.07445	2.3
145.04970	3.6
152.06993	1.3
154.08649	7.3
175.04156	1.0
176.35918	1.1
178.08719	3.6
182.08124	68.8
182.45724	1.0
183.08568	1.8
202.05939	1.0
206.08110	15.4
218.08182	1.7
236.09163	1.8
248.09175	10.5
276.29913	1.1
302.12704	4.7
303.14075	16.4
315.51608	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	3.4
55.05515	4.2
57.03439	6.7
58.87683	2.2
61.02927	8.7
63.47357	2.2
67.05506	4.2
69.03426	20.5
70.06566	2.2
71.05000	3.8
71.29038	3.3
73.02924	4.4
79.05472	4.4
81.03423	7.0
81.07056	4.0
83.04984	3.0
85.02905	100.0
87.04462	2.6
89.62247	1.8
91.03979	6.0
91.05474	3.9
91.52207	2.0
91.65409	1.9
95.08604	2.9
97.02901	22.7
99.04470	3.7
105.07020	21.1
109.02892	10.4
111.04464	4.3
112.04800	2.2
127.03919	31.1
130.06523	3.1
135.44301	2.1
136.66524	1.9
145.04955	42.9
145.10094	3.2
146.06047	5.8
163.06020	11.0
180.08662	2.3
188.07062	5.1
189.06477	2.4
229.04904	3.8
240.33420	2.3
242.11871	2.5
249.88063	2.0
257.04501	2.8
259.14313	3.9
283.73248	2.0
285.12436	3.3
302.12091	4.6
302.16608	2.5
302.27155	2.3
303.05017	28.3
303.13498	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29176	0.6
56.96554	0.9
65.38161	1.0
70.18837	0.5
70.48875	1.2
98.97592	3.0
101.00855	3.5
102.00936	0.6
102.96857	0.6
116.98608	1.7
119.01922	8.1
120.02010	2.1
121.01609	0.6
124.59048	0.6
133.23889	0.5
137.02960	1.3
158.99931	0.9
160.00017	1.1
176.99516	1.1
177.00955	13.5
177.02510	0.8
178.01024	7.7
179.00706	2.3
201.00908	1.7
202.01016	1.7
217.04077	2.0
218.04187	1.5
219.01999	20.6
219.03773	0.7
220.02100	12.1
221.01801	5.0
225.00917	1.8
226.01048	1.5
242.98602	0.5
242.99496	0.9
243.01967	9.7
244.02109	5.4
245.01938	1.3
258.99808	0.7
261.03030	100.0
262.03177	68.4
262.06158	1.1
263.02847	18.8
273.20676	0.5
277.01208	0.7
278.97229	0.6
279.00531	1.9
280.00745	0.6
282.99899	1.5
284.04501	1.3
284.99829	3.3
285.04868	2.7
286.04315	1.1
301.01001	1.7
302.97177	1.5
303.00848	5.6
303.05994	8.9
304.00916	0.6
304.05521	2.6
320.98169	2.5
321.01489	0.7
322.95151	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03933	0.1
55.01876	0.4
55.05503	0.1
64.35519	0.1
65.03931	0.6
67.01857	0.4
67.05493	0.4
68.99442	0.2
68.99790	2.3
69.03423	0.3
69.13078	0.7
79.05441	0.1
81.03420	0.7
81.07033	0.2
83.04987	0.1
85.02898	0.2
88.11303	0.1
91.05471	0.2
93.03394	0.8
93.07034	0.1
95.01290	0.1
95.04962	1.0
95.47969	0.1
97.02888	0.2
101.12731	0.1
103.05446	0.2
105.03373	0.2
105.07050	0.2
107.01284	0.1
107.04945	0.3
109.02868	1.2
111.00796	2.1
115.05448	0.2
117.06998	0.5
118.06545	0.1
119.04908	0.1
121.02860	2.1
123.04452	0.6
127.03918	0.5
129.07001	0.2
130.05042	0.1
130.06520	0.1
130.08643	0.1
131.04926	0.5
133.02867	0.1
133.06482	0.1
135.04410	0.5
137.02341	7.9
138.02649	0.1
139.03958	0.1
145.02821	0.2
145.06462	0.7
146.05998	0.2
149.02336	1.1
151.03867	0.2
153.01822	10.9
154.02168	0.2
155.04918	1.1
155.06102	0.2
157.06485	0.2
159.04436	0.2
160.05200	0.1
161.02328	0.2
161.05991	0.8
161.51994	0.1
163.03902	1.4
165.01830	4.1
166.02632	0.5
171.03020	0.1
171.04433	0.1
173.05974	1.6
177.01822	0.3
177.05435	0.3
179.03377	0.4
183.02884	1.8
183.04430	1.0
185.05946	0.2
187.03879	0.9
188.07091	0.3
191.03368	0.4
191.06984	0.1
192.04117	0.1
193.01324	0.1
195.02887	0.4
200.12804	0.2
201.05457	4.4
202.05800	0.2
203.03427	0.1
205.04993	0.5
207.02892	0.2
211.03935	0.3
213.05502	0.2
215.03455	0.2
219.02936	0.3
219.06512	0.6
221.71361	0.1
228.04216	0.6
229.04953	9.9
230.05302	0.4
231.02879	0.1
232.03653	0.2
232.21448	0.1
239.03476	0.5
243.02951	0.1
245.04556	0.2
246.05302	0.2
247.06056	1.2
257.04428	5.0
258.04865	0.2
259.14471	0.2
274.04697	1.5
275.05429	0.5
285.03931	2.4
286.04471	0.2
303.04965	100.0
304.05310	5.8
304.08838	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98619	0.1
55.01856	0.4
56.09995	0.1
57.93653	0.1
65.03937	0.6
65.08774	0.1
67.01839	0.4
67.05483	0.4
68.99442	0.2
68.99783	2.5
69.03416	0.3
71.14929	0.1
81.03429	0.9
81.07111	0.2
91.05466	0.3
93.03391	0.6
95.04960	1.1
97.02838	0.2
103.05418	0.2
105.03378	0.4
105.07010	0.2
107.04939	0.3
109.02870	1.4
111.00802	2.3
111.04445	0.1
115.05473	0.3
117.07013	0.5
119.04909	0.1
121.01981	0.1
121.02858	2.7
123.04436	0.8
127.03896	0.5
129.63538	0.1
131.04919	0.6
133.02850	0.2
133.06512	0.2
135.04422	0.6
137.02336	9.4
137.03381	0.7
138.02707	0.1
143.04803	0.1
145.02815	0.2
145.06467	0.8
146.05972	0.3
147.04398	0.3
149.02345	0.9
153.01817	12.0
154.02121	0.2
155.04916	1.5
155.06018	0.2
157.06468	0.2
159.04422	0.3
161.05965	0.8
163.03896	1.6
164.55550	0.1
165.01831	4.4
166.02690	0.6
171.03009	0.1
173.05948	1.7
177.01741	0.3
177.05449	0.3
179.03258	0.6
183.02867	1.6
183.04416	1.4
184.04895	0.1
185.06006	0.1
187.03896	1.1
188.07051	0.1
191.03352	0.3
191.07039	0.3
195.02847	0.4
200.04564	0.2
201.05449	5.4
202.05846	0.2
205.04967	0.5
207.02907	0.3
211.03928	0.4
213.05585	0.3
215.03375	0.4
217.05003	0.2
219.02881	0.3
219.06503	0.6
228.04219	0.7
229.04939	11.1
230.05370	0.7
232.03760	0.2
233.04355	0.2
239.03384	0.3
245.04449	0.2
246.05212	0.3
247.05974	1.3
257.04431	6.0
257.38748	0.1
258.04962	0.4
274.04724	1.4
275.05399	0.6
285.03897	2.8
286.04575	0.1
302.04007	0.1
303.04956	100.0
304.05304	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	43.0
69.45419	51.6
69.45830	18.3
75.60571	10.5
80.48848	12.8
84.96011	15.0
98.97589	100.0
100.95174	12.0
104.76929	10.9
104.85979	15.5
110.97570	53.5
116.98608	17.9
128.98622	24.4
142.35184	10.6
158.99670	31.8
159.03264	16.9
170.99574	14.7
177.04189	13.4
218.98463	12.4
219.01802	55.9
237.02797	60.3
303.07950	81.3
321.08569	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.084
Annotation	Unknow
Peak:m/z	Relative Intensity
69.72001	3.3
92.61081	0.7
98.22693	1.1
111.75240	0.8
174.20375	0.8
181.27716	0.8
215.13312	0.8
303.10583	100.0
304.10962	4.2
309.87344	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
68.43910	0.7
69.94374	2.4
83.84128	0.6
84.07099	0.6
182.13989	0.6
201.03729	0.9
214.30333	0.6
259.07941	1.7
303.10590	100.0
304.10986	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	303.105
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	1.5
69.65660	0.9
69.66074	1.8
71.04998	0.9
77.10399	0.5
79.04418	0.6
85.02893	0.8
85.48842	0.5
90.36239	0.5
97.02961	0.7
98.97582	0.9
101.00893	2.3
113.00913	1.1
115.02438	0.5
119.01940	2.1
120.08115	0.7
121.08438	0.6
131.01907	1.7
136.29327	0.6
141.05241	3.9
152.93718	0.6
156.02631	0.5
163.21588	0.6
172.63763	0.5
173.02910	0.9
185.04239	2.9
201.06067	4.1
203.05243	3.6
213.06111	1.6
219.07216	0.9
231.07133	1.0
243.07175	0.9
268.99930	0.6
303.10529	100.0
304.10941	4.7
321.10257	3.2
322.10437	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.72143	0.4
70.60834	0.9
91.51429	0.4
95.04844	0.5
98.97615	0.6
99.04486	0.5
101.00881	1.5
101.19141	0.5
119.01913	1.2
131.01915	1.0
141.05258	4.4
151.02782	0.5
155.01949	0.6
158.99484	0.5
159.05092	0.6
159.06584	0.4
161.03041	0.6
173.03065	0.5
177.06126	0.6
185.04228	2.1
201.06140	2.6
203.05229	0.5
213.06120	1.1
219.01830	0.6
222.49763	0.4
225.06197	0.5
231.07152	0.6
240.53484	0.5
243.07173	1.2
249.46419	0.5
303.10522	100.0
304.10959	4.5
321.10388	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97496	0.5
66.08457	0.5
67.05489	1.0
68.05823	0.5
69.03423	1.5
69.04534	0.6
69.07066	0.5
70.06583	0.5
79.05495	0.7
81.03414	0.6
83.04968	1.0
84.04498	0.7
85.02904	2.2
86.06061	0.7
91.05468	0.6
93.07050	0.6
95.04951	1.0
95.08607	0.9
97.02867	0.6
104.20181	0.5
109.02859	0.6
118.06550	0.7
123.04426	0.7
123.08028	0.7
130.05000	2.4
138.09053	0.8
141.10187	1.3
146.05984	1.0
169.06683	0.6
173.07144	0.7
174.09094	1.2
183.08412	1.0
188.07031	0.8
217.06129	1.2
235.07098	0.8
267.03131	0.6
285.12262	1.3
303.14096	100.0
304.14590	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.7
53.37972	2.0
55.05511	6.0
57.07082	5.3
67.05496	7.1
69.07063	6.9
71.05017	2.7
71.08643	3.0
71.29905	4.1
72.50699	2.2
74.06080	3.9
79.05498	7.0
80.41950	2.8
81.07056	7.7
83.08630	5.2
88.07639	13.8
89.07970	3.1
91.05479	9.3
93.03382	3.7
93.07039	6.4
95.04949	4.5
95.08619	7.5
95.22504	2.4
97.06535	10.0
105.07039	8.2
107.08611	9.8
109.06506	3.0
109.10177	3.6
110.03682	5.4
111.04479	3.1
117.07085	3.2
119.08579	4.0
121.10143	5.0
123.08068	2.9
125.06007	6.0
133.10126	6.2
135.08086	3.5
135.11676	2.2
137.04767	4.9
137.05946	2.6
143.08519	4.1
144.78065	2.6
147.08099	4.3
149.09627	3.3
152.07063	100.0
163.11205	2.9
171.11642	2.4
173.13290	2.8
185.13148	2.3
187.11250	3.2
189.09143	3.3
218.50250	2.4
243.25218	4.2
256.26266	3.6
285.14594	24.3
285.17627	3.8
303.05002	7.5
303.15671	35.9
303.19531	13.9
303.23163	9.9
303.27240	15.3
303.30917	6.3
304.15976	4.3
304.28473	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	304.139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28410	1.4
53.03933	1.6
55.01884	1.6
57.03430	6.7
58.06604	1.8
60.04531	9.0
61.02924	5.4
69.03430	16.5
69.07069	44.6
71.04987	1.4
71.08633	20.3
73.02922	2.2
73.53300	1.2
75.92530	1.2
81.03397	9.1
81.14014	1.6
84.04518	3.9
85.02905	71.8
85.06563	1.7
86.02419	6.6
96.04486	1.6
96.08147	2.7
97.02889	49.3
97.06539	6.4
98.97604	2.0
99.04465	4.2
103.03934	6.9
109.02876	16.6
114.09161	15.3
124.07552	1.9
127.03921	15.4
130.06496	1.9
138.09163	4.0
140.53931	1.2
142.08632	100.0
143.08963	2.0
145.04956	8.1
156.10240	3.4
180.10190	2.5
184.09686	85.0
185.09998	3.3
208.09671	17.8
220.09846	1.5
238.10812	4.2
250.10756	10.9
286.12738	2.2
304.13773	3.2
305.15628	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	304.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20595	1.3
53.03940	1.8
55.01861	2.1
57.03444	7.5
60.04528	10.3
61.02935	3.8
65.25546	1.3
67.05513	2.8
69.03430	16.1
69.07071	53.0
71.01362	1.3
71.08636	21.3
71.29430	1.5
73.02892	2.4
81.03430	9.9
81.07054	1.6
84.04507	5.9
85.02906	82.6
86.02438	7.3
86.03232	2.7
96.04463	1.9
96.08123	3.9
97.02895	56.8
97.06529	6.9
98.03223	1.8
98.97597	1.6
99.04486	3.3
101.02417	2.1
103.03944	6.8
109.02879	14.7
114.09172	20.2
114.89104	1.4
127.03922	17.8
130.06552	2.7
137.45401	1.3
138.09160	4.8
142.08638	100.0
143.09006	3.2
145.04930	8.4
147.85464	1.3
154.08658	2.0
156.10217	5.3
158.06013	4.7
159.09805	1.7
166.08665	2.1
180.10146	2.8
184.09700	88.2
185.10011	3.2
202.06157	1.5
208.09723	19.7
220.09660	3.6
232.06389	2.3
238.10788	3.4
250.10727	12.0
269.12894	1.5
286.12759	2.5
304.13889	3.2
305.15546	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	304.139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96638	0.4
56.05013	0.8
57.03424	1.3
64.70966	0.4
69.32317	2.7
71.04996	0.5
71.08626	9.4
84.04505	10.4
85.02902	28.8
86.03220	0.5
87.00829	0.9
87.04457	0.6
88.11266	23.8
89.11609	0.5
91.05485	0.6
95.01325	1.0
102.05542	9.1
106.29578	0.4
112.03959	1.6
121.10127	0.6
130.04999	54.2
130.99570	0.4
131.03398	1.2
131.05362	0.8
137.02327	0.6
158.06021	1.1
172.13322	21.6
173.13620	0.8
200.12807	100.0
201.13145	3.6
218.13866	13.1
219.14281	0.8
230.05312	1.0
258.04852	0.7
286.12750	1.4
304.05307	11.6
304.14178	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50630	0.2
51.42385	0.2
53.03968	0.2
55.05500	0.9
56.05017	0.5
57.03441	0.2
57.07069	0.5
57.28642	0.2
58.06590	0.3
59.04984	0.7
65.03935	1.4
67.05501	1.4
69.07072	3.2
71.08635	0.3
74.06072	0.3
79.05492	1.7
81.07050	1.5
83.04979	0.3
83.08597	0.7
85.06529	0.3
88.07616	1.4
91.05470	2.8
91.35000	0.3
92.04993	0.8
93.03413	2.5
93.07046	2.6
95.04979	0.5
95.08609	1.0
97.06519	1.4
105.07035	0.9
106.06540	0.2
107.04962	1.0
107.08585	2.0
109.05252	0.9
109.06470	0.3
109.10170	0.7
110.03671	6.6
111.04463	3.2
111.69524	0.2
117.06990	0.3
118.08687	0.4
119.08560	0.5
120.04438	0.7
122.08144	0.3
123.08031	0.3
124.07576	1.2
125.05995	11.7
125.09631	1.0
126.06344	0.3
133.10132	0.6
135.11722	1.2
137.04718	5.7
137.05972	3.7
143.08490	0.3
145.06471	0.3
149.09561	0.3
152.07066	100.0
153.05481	0.3
153.07399	2.4
159.11723	0.3
167.84007	0.2
168.13884	0.6
177.09116	0.9
177.53246	0.2
189.09189	0.3
209.08130	0.4
256.26324	0.9
287.16516	0.6
287.19943	0.4
304.19067	2.9
304.22858	0.5
304.28418	2.9
305.13995	0.3
305.21039	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2111
Annotation	Agallochin I
Peak:m/z	Relative Intensity
52.71880	2.0
53.03925	2.3
55.01875	4.0
55.05510	16.9
57.03434	3.8
57.07080	3.8
59.05003	53.4
65.03945	2.9
67.05508	22.2
69.03426	4.4
69.07067	10.3
69.12935	1.8
69.26237	2.0
70.03007	2.2
70.54773	4.2
70.55088	2.5
72.04507	7.7
73.06555	2.6
79.05493	20.9
81.07059	22.8
83.04988	5.1
83.08604	6.2
85.06541	30.9
87.04476	3.1
91.05476	44.4
91.06011	3.3
93.07045	32.2
95.04964	11.1
95.08604	22.3
97.06525	8.7
99.04454	6.7
99.08109	3.7
105.04521	2.0
105.07026	37.9
107.08592	28.9
109.06549	12.1
109.10186	10.7
111.08030	2.5
113.09608	4.2
115.05449	4.2
117.07020	19.9
119.06099	2.9
119.08592	33.1
121.06534	4.5
121.10146	47.0
123.08082	27.3
125.09612	24.2
128.06252	4.6
129.07025	9.3
130.07805	5.2
131.08586	19.3
133.06502	7.5
133.10132	15.4
135.08046	30.7
135.11659	3.9
137.06007	5.2
137.09653	3.0
139.11174	4.6
141.07030	3.4
142.07774	6.0
143.08585	13.4
145.10126	24.3
147.08060	6.7
147.11671	8.0
149.09634	35.7
150.10403	59.5
151.07550	2.9
151.11198	45.5
155.08537	4.4
155.10710	4.9
156.09343	9.1
157.10112	18.7
158.10947	3.1
159.08078	4.0
159.11766	11.9
161.09647	6.8
163.11211	6.2
165.06920	2.6
165.09128	16.2
167.08592	2.9
167.10698	35.7
169.10150	9.4
170.10989	2.8
171.11681	13.9
173.09662	5.2
173.13277	9.2
175.11189	6.2
177.09087	2.3
177.12764	7.7
180.09384	2.5
181.10121	6.5
182.10942	9.4
183.11575	4.0
185.13287	4.2
187.14734	5.4
189.12772	8.8
191.14311	5.9
193.10083	4.0
193.12309	4.0
195.11691	8.0
196.12434	3.2
197.13289	12.6
199.11259	9.3
201.12804	3.0
203.14340	5.2
205.12267	24.8
205.15945	7.4
207.11746	5.9
208.12492	2.7
209.13242	3.2
211.13138	3.0
211.14911	3.8
213.12750	4.5
213.16402	5.7
215.14279	10.5
217.12283	3.3
219.17455	2.9
222.14035	7.0
229.15915	8.4
231.13803	7.0
231.17380	2.8
233.15364	5.4
237.16458	12.1
239.14400	2.6
247.17043	6.2
249.14943	3.8
254.16766	2.4
255.17473	20.3
269.19022	9.4
273.18472	7.1
287.20056	78.8
288.20450	6.5
305.21130	100.0
305.30475	3.7
306.21521	5.0
306.28030	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	306.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
55.01863	0.3
57.03435	1.5
58.99567	0.4
59.86478	0.2
61.02929	2.4
65.03941	2.4
68.05027	2.6
69.03093	0.4
69.03432	6.2
70.42680	0.7
71.01340	0.5
71.04989	0.4
73.02921	1.7
81.02982	0.3
81.03407	1.4
84.04503	0.6
84.08140	2.9
85.01131	2.6
85.02906	14.9
86.09715	0.3
87.04467	1.1
91.03932	0.7
97.01129	0.4
97.02895	2.6
98.00639	2.3
99.02685	4.2
99.04454	1.3
101.02411	0.3
103.03939	0.8
109.02890	1.2
112.02062	0.3
113.02985	3.4
113.84158	0.3
114.03741	0.3
115.03884	0.3
126.03740	27.6
127.03886	2.6
127.04556	2.3
128.11288	0.3
130.06493	0.3
144.04781	100.0
145.05026	3.3
146.96840	0.3
165.78166	0.3
186.05852	2.9
215.13921	0.5
243.17097	1.6
298.43341	0.3
306.10056	8.6
306.52863	0.3
307.10269	0.4
307.16754	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07070	0.9
69.63936	1.6
70.05968	0.3
72.43874	0.4
79.05493	1.0
81.07068	0.8
83.08644	0.4
91.05493	0.6
93.07025	0.4
94.04189	2.1
95.08592	0.6
96.54874	0.3
97.06524	0.7
100.07609	0.5
104.65138	0.3
107.08576	1.0
109.10172	0.8
114.09155	0.5
117.93605	0.3
122.03657	7.2
123.11694	0.3
133.10161	0.7
135.11682	1.1
137.05977	100.0
138.06320	3.0
138.61766	0.3
151.11246	0.5
153.12741	1.5
165.12709	0.3
170.15419	2.3
182.15436	3.3
306.20584	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	7.3
55.05515	12.3
56.23493	0.9
57.03434	3.1
57.07081	7.0
57.52447	1.1
59.05020	1.1
60.04485	1.2
67.05508	20.7
69.03420	3.5
69.07072	14.6
70.06592	2.9
71.05000	2.5
71.08634	14.9
72.04505	2.6
79.05498	14.2
81.03405	1.1
81.07055	24.2
81.83868	1.0
83.04965	3.0
83.08628	3.9
83.50877	1.1
84.08128	1.2
85.06540	3.9
86.06074	2.0
91.05476	15.1
93.07047	22.1
95.04971	20.7
95.08611	33.6
96.08951	1.8
97.06523	9.7
97.10153	2.1
98.22562	2.3
98.67213	1.2
99.08089	9.6
100.50172	1.2
105.07034	16.1
106.07346	1.4
107.04935	2.0
107.08595	13.8
108.05759	1.3
109.06520	38.6
109.10147	9.5
111.08092	3.5
112.11256	1.7
114.09203	1.1
117.07003	3.2
119.08582	12.5
121.06499	10.7
121.10142	5.5
123.08045	5.5
123.11755	2.1
125.09649	3.7
129.07010	1.6
131.08572	10.3
133.10135	9.6
134.65338	1.0
135.08047	8.9
135.11670	1.6
137.09612	12.2
141.07013	1.1
143.08574	2.8
145.06557	1.3
145.10146	7.3
147.08084	2.3
147.11707	5.8
149.09608	2.9
149.13245	2.1
151.11148	1.6
151.14786	2.2
153.09224	1.6
153.12764	3.2
154.12300	5.9
155.08517	1.9
156.13850	1.4
157.10173	2.7
159.08076	3.1
159.11685	4.9
161.09625	1.8
161.13289	1.8
163.11227	6.2
163.14830	3.0
165.12756	100.0
166.13098	3.5
167.23569	1.1
169.10133	1.6
171.11632	2.1
173.09581	1.4
173.13261	8.8
175.11209	7.8
177.12756	2.5
183.11632	2.3
184.13362	4.3
185.13332	1.5
187.11063	1.1
187.14816	2.6
191.14290	17.9
197.13322	1.7
199.14738	1.1
201.12741	2.9
207.11774	1.2
208.16989	3.6
215.14301	2.1
221.15378	2.5
233.15395	2.1
235.08350	1.1
243.21147	1.7
250.18071	1.9
261.22092	6.0
271.16946	1.4
271.20526	3.4
288.20331	1.3
288.23248	1.5
289.18091	5.4
289.21606	55.4
290.21924	3.4
306.21536	1.8
306.24280	48.2
306.27823	2.5
307.20535	4.5
307.24359	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
56.05038	3.7
57.36279	0.4
58.06344	0.6
58.06603	5.0
69.03419	0.9
70.06602	0.8
70.39616	0.6
81.03417	0.7
81.07053	0.5
84.03973	0.6
84.04509	24.9
84.08145	100.0
85.02908	2.1
85.04845	0.5
85.06600	0.4
85.08488	1.3
86.06069	6.9
86.09701	6.4
88.03976	2.3
90.00198	0.4
93.02951	0.4
93.78503	0.4
96.04501	0.7
98.09713	0.8
109.02940	0.4
113.07116	0.4
114.12798	0.8
114.72781	0.3
118.06889	0.6
127.03941	0.8
130.06577	1.5
130.08629	1.8
131.01668	1.4
132.04478	0.7
140.03389	0.5
141.13863	7.7
144.10207	0.9
145.05025	0.7
146.06012	44.7
150.09081	0.5
157.07658	1.5
158.06036	1.7
169.13368	9.2
169.14659	0.7
175.08615	0.6
176.07213	0.4
198.11307	1.1
215.13914	37.2
216.14278	1.3
243.17039	44.1
244.17383	1.9
261.08664	0.6
262.11118	2.7
279.35129	0.4
307.09650	0.5
307.16833	9.6
308.11188	0.9
308.17285	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1896
Annotation	Corrin
Peak:m/z	Relative Intensity
53.03954	8.2
55.01871	28.2
55.05504	31.3
57.03434	20.6
57.07067	8.7
59.05000	7.4
65.03938	3.4
67.05503	56.9
68.05843	2.8
69.03426	6.6
69.07069	29.5
69.43358	18.9
71.04993	6.5
71.08629	5.4
79.05492	59.6
79.05916	5.1
80.05833	4.4
81.03417	12.2
81.07056	67.9
82.07395	6.0
83.04979	30.8
83.08613	12.4
85.02895	2.9
85.06548	6.7
89.06027	8.7
91.05471	46.0
93.07037	61.3
94.07361	6.0
95.04964	26.8
95.08597	51.6
96.05284	3.6
96.08941	6.0
97.06525	41.1
97.10154	14.3
99.08103	6.0
105.07028	52.2
106.07359	3.1
107.04951	35.8
107.08587	59.0
108.08918	3.9
109.06522	34.1
109.10165	20.9
110.06853	6.8
111.04439	11.8
117.07024	18.0
119.08580	37.8
121.06519	10.0
121.10149	21.2
123.08039	10.8
123.11739	4.5
125.09632	13.6
129.06999	7.4
131.08566	20.8
132.08884	3.3
133.06494	5.7
133.10112	28.3
134.10437	5.7
135.08035	13.8
135.11659	15.3
135.63971	2.8
135.99078	2.9
136.08305	3.4
137.05966	26.3
137.09615	10.8
138.06313	20.3
141.07030	3.8
143.08559	7.8
145.06462	4.1
145.10103	26.2
146.10431	3.7
147.08014	7.8
147.11700	16.7
149.09602	25.3
149.13261	5.2
151.11200	13.4
153.09113	3.4
155.08498	4.0
157.10164	6.2
159.08054	6.3
159.11705	13.3
161.09619	4.3
161.13275	9.1
163.07527	5.5
163.11195	14.3
164.11559	3.7
165.09052	5.5
165.12740	24.8
166.13074	32.2
169.10159	4.4
171.11717	8.1
173.13260	8.6
174.13622	3.9
175.11176	5.8
177.12770	10.3
183.11685	4.3
185.13249	3.5
187.11160	6.1
187.14647	4.3
191.14334	6.3
192.14633	7.8
195.12128	4.5
197.13181	5.5
203.12839	8.7
209.17264	3.1
215.14189	4.7
229.19318	3.7
233.15385	12.4
239.17995	6.1
247.20593	9.8
257.19080	14.8
261.18576	7.2
262.22452	5.2
271.16907	5.8
275.20029	100.0
276.20273	3.7
289.17978	17.5
289.21570	10.2
290.21896	39.2
307.15488	3.0
307.19354	3.9
307.21887	14.8
307.24713	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.6
55.01882	15.5
55.05515	49.2
57.03452	24.8
57.07086	11.8
63.89383	4.9
64.61603	4.8
67.05504	50.1
69.03449	11.1
69.07081	26.5
71.05001	5.8
71.08617	5.2
71.29517	9.7
79.05495	45.9
81.03433	6.4
81.07051	61.5
83.04987	21.8
83.08633	20.6
85.06557	6.2
91.05466	40.7
93.07044	37.0
95.04977	55.5
95.08606	37.4
96.08965	5.1
97.06549	12.4
97.10180	19.0
99.08076	6.3
103.76883	5.0
105.07023	51.3
107.04963	21.3
107.08598	46.6
109.06506	27.7
109.10169	32.3
110.06880	5.0
111.08089	8.7
117.07042	20.9
119.08582	53.7
120.08938	5.2
120.27451	5.5
121.06528	18.4
121.10150	22.7
123.08083	7.6
123.11761	5.4
125.09635	24.2
128.06219	8.1
129.07082	15.4
131.08557	23.0
133.06503	9.6
133.10101	35.5
135.08061	22.1
135.11729	5.4
137.09639	14.4
138.83647	4.9
141.06998	6.5
142.07782	8.7
143.08575	28.4
145.10129	16.9
145.72885	5.4
147.08087	11.9
147.11676	6.2
149.09657	11.6
155.08575	14.4
156.09389	9.1
157.10132	24.1
159.08018	26.7
159.11719	15.4
161.09642	11.7
164.11415	6.1
165.07007	8.6
165.12750	33.6
166.13100	33.1
167.08598	6.4
168.09462	8.0
169.10162	18.9
171.11720	15.9
173.09671	5.0
173.13243	13.9
177.09123	5.2
179.08611	9.4
181.10184	11.0
182.10989	6.6
183.11725	16.3
185.09666	6.7
185.13287	11.6
187.11188	7.6
189.11215	15.9
191.14287	5.4
192.09377	6.4
192.14676	6.8
193.10123	17.1
194.10924	8.5
195.11748	12.1
196.12427	7.9
197.13280	16.1
199.11221	6.3
199.14847	15.3
206.10925	8.5
207.11720	21.2
208.12512	6.9
209.13226	16.1
211.14879	6.6
215.14365	9.7
217.10176	9.1
218.10818	6.0
220.12660	6.3
221.13293	15.1
223.11240	5.9
223.14861	18.8
233.13284	15.6
233.15436	12.7
234.13922	7.5
237.12894	9.1
237.16330	6.2
247.14839	7.8
249.16449	9.1
251.14331	22.8
261.18625	8.2
263.18039	11.1
265.16003	6.8
271.16901	9.9
279.21097	21.2
289.17819	67.7
290.21976	36.5
307.20493	100.0
307.24606	15.5
308.21341	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	307.1902
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03949	8.3
55.01867	13.3
55.05514	34.2
57.03438	27.2
57.07082	2.1
65.03936	4.8
67.05505	48.1
69.03428	9.8
69.07065	14.9
71.04996	11.2
71.28620	1.5
79.05490	43.0
81.03416	18.0
81.07056	50.0
83.04978	45.9
83.08605	10.5
85.06554	4.7
91.05477	38.1
93.03391	1.5
93.07040	38.6
95.01366	2.4
95.04978	20.5
95.08603	32.9
97.06528	14.1
97.10172	14.5
99.04482	2.9
99.08092	2.9
105.07034	30.8
107.04961	37.6
107.08591	28.8
109.06522	30.2
109.10145	9.5
111.04442	24.3
111.08069	6.0
113.06001	3.9
115.05435	2.7
116.21010	1.6
117.07015	17.2
119.04960	2.3
119.08595	21.1
121.02863	1.6
121.06517	29.0
121.10146	10.7
123.04439	5.4
123.07231	2.5
123.08037	15.2
125.05996	5.9
125.09627	11.4
127.03912	2.1
128.06244	1.9
129.06996	5.5
131.04948	2.0
131.08574	21.9
133.06462	7.3
133.10126	15.5
135.08049	15.9
135.11696	10.6
137.05942	1.9
137.09618	5.0
139.07542	3.1
141.06989	3.8
143.08583	6.1
145.06462	7.6
145.10129	13.0
147.08008	8.0
147.11729	8.2
149.05974	5.1
149.09604	9.1
149.13283	4.0
151.07564	6.1
151.11171	3.4
153.09114	3.1
155.08510	4.6
156.09311	1.8
157.10138	5.2
159.08058	10.7
159.11693	12.9
161.09621	5.1
161.13277	2.1
163.01659	1.5
163.07530	25.0
163.10039	1.7
163.11177	12.2
165.09103	5.1
167.08496	2.3
169.10130	3.8
171.11703	5.4
173.09645	3.1
173.13264	7.4
175.11194	3.1
177.09140	5.4
177.12723	9.5
179.07077	3.3
183.11806	2.3
187.11183	9.1
187.14818	3.8
189.11221	4.0
189.12793	3.0
191.10648	2.6
191.14258	3.8
199.11072	1.8
201.09094	2.1
201.12761	1.9
205.12210	4.6
205.15933	3.7
215.14322	6.8
219.13815	13.2
223.13147	4.1
230.70346	1.6
233.15347	19.3
237.14883	5.8
241.14331	5.8
243.17426	4.6
253.33963	1.5
257.19028	3.4
261.18515	11.2
271.16885	10.1
275.20078	23.4
289.17966	100.0
290.18384	4.1
303.02304	1.6
307.19061	39.4
307.22650	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	307.1903
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03950	1.5
55.01860	1.5
55.05516	8.5
56.96551	0.8
57.03442	1.5
57.07061	2.1
67.05502	11.0
69.03432	4.0
69.07064	7.6
70.06599	0.7
70.42577	1.4
71.04981	2.8
71.08629	0.7
79.05491	9.4
81.07051	22.9
83.04971	3.4
83.08614	2.6
85.06540	5.3
91.05473	9.1
93.07046	12.0
95.04956	3.7
95.08610	16.8
97.06530	4.1
97.10151	1.9
98.23309	1.0
99.08101	1.4
103.05466	1.0
105.07033	10.0
107.04945	2.6
107.08603	16.0
109.02871	0.9
109.06522	4.6
109.10159	9.6
111.08062	2.2
113.06007	0.9
113.09652	3.8
115.05499	0.7
117.07005	2.0
119.04945	1.4
119.08576	12.6
121.06509	12.0
121.10146	9.8
122.07272	3.5
123.08082	6.8
123.11693	4.7
125.06042	0.8
125.09615	2.0
129.06972	1.2
130.06522	0.8
131.08540	4.1
133.10132	6.5
135.08052	100.0
135.11623	3.5
136.08382	3.1
137.09621	10.2
137.13260	0.9
139.11189	5.1
143.08560	1.8
145.06511	0.9
145.10117	5.3
147.08031	2.4
147.09145	1.0
147.11710	3.5
149.09608	2.0
149.13281	2.5
151.07552	2.2
151.11285	0.9
153.09152	1.2
155.08498	0.9
157.10104	2.0
158.07146	0.9
159.08058	2.6
159.11702	5.8
161.09561	4.2
161.13272	2.6
163.03957	1.6
163.07558	2.2
163.11169	2.6
163.14845	1.2
165.07042	0.8
165.09067	1.3
167.08484	0.9
169.10139	1.8
171.08069	0.9
171.11691	2.9
173.09634	3.3
173.13290	3.1
175.11145	2.2
175.14854	2.5
177.09108	0.8
177.12737	0.8
181.06541	1.0
181.08653	2.4
185.09647	0.9
185.13347	3.5
187.11182	3.2
189.12782	1.0
191.14479	1.0
201.12772	2.5
201.16353	2.1
203.14265	2.1
211.15010	1.0
213.12738	5.9
215.17996	2.2
219.13698	0.9
225.16420	2.2
229.15919	2.3
231.13843	1.4
233.15469	0.9
233.18852	0.8
243.17508	4.9
247.13268	1.4
253.15892	3.3
261.18484	4.1
263.07184	0.8
265.08649	1.7
271.16910	6.2
278.09360	0.8
289.18011	12.9
289.21268	1.5
289.24890	1.1
290.18231	1.3
307.12729	5.8
307.18729	5.9
307.23032	1.1
307.26428	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	307.1904
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
52.04621	3.2
52.48159	3.9
53.03943	12.9
55.01876	20.7
55.05513	69.8
57.03445	26.7
57.07075	4.9
59.05009	3.4
62.49308	3.7
65.03929	8.0
67.05509	68.7
69.03423	10.5
69.07068	32.9
69.60926	5.8
69.61338	19.7
71.04990	15.7
79.05491	68.5
81.03399	11.6
81.07063	85.4
81.15356	3.9
83.04985	24.9
83.08628	34.6
84.70258	3.9
85.06541	8.5
91.05484	97.1
93.07049	71.4
95.04974	43.3
95.08617	42.0
97.06534	28.9
97.10175	43.3
98.22681	5.0
103.05438	7.0
105.07029	74.9
107.04963	20.6
107.08598	50.9
109.06509	25.0
109.10163	23.7
111.04371	4.4
111.08076	13.6
115.05453	11.5
117.07020	49.4
119.04913	3.7
119.08578	100.0
121.06472	24.2
121.10165	22.2
123.04409	4.6
123.08056	11.4
125.09623	39.5
128.06212	16.1
129.06995	21.5
130.07736	7.4
131.08565	45.7
133.06491	13.8
133.10130	76.7
135.08038	32.8
137.05997	8.8
137.09627	11.9
141.06985	9.8
142.07767	14.8
143.08560	46.2
145.06471	19.3
145.10135	42.8
147.08069	25.7
147.11668	15.9
149.06100	4.8
149.09605	22.2
151.11230	7.0
153.09109	9.1
154.07730	5.4
155.08525	10.6
156.09306	6.8
157.10114	34.1
159.08090	27.4
159.11693	29.2
161.09564	21.7
161.46469	3.7
163.07552	10.8
163.11205	9.7
165.06926	5.6
165.09167	4.4
165.12791	9.9
167.08586	11.0
168.09354	4.6
169.10110	24.8
170.10892	5.5
171.11668	24.7
173.09616	12.1
173.13280	15.4
175.11203	9.2
177.09111	10.9
179.08504	9.2
180.09305	5.7
181.10136	11.0
182.10924	7.6
183.11745	18.9
185.09596	6.9
187.11197	9.2
189.11209	26.5
189.12657	4.1
192.09294	7.2
193.10123	18.4
193.12367	4.0
194.10844	8.8
195.11688	14.9
197.13268	16.6
199.11174	5.8
199.14761	5.3
205.15898	3.8
206.10934	8.2
207.11748	9.0
208.12437	7.2
209.13263	14.4
211.14696	5.3
218.10997	6.3
219.11674	10.3
219.13634	4.6
220.12392	9.3
221.13347	21.6
221.15048	4.5
223.14803	14.1
225.16374	7.2
231.11725	7.0
233.13152	11.9
233.15305	7.5
234.13913	7.1
235.14850	5.8
237.16374	7.8
243.17563	6.3
247.14804	6.0
248.15594	7.2
249.16319	9.7
251.14349	9.3
259.14850	11.7
261.18515	13.4
263.17975	23.8
271.17026	30.7
274.17056	5.2
275.20087	17.1
289.17801	81.4
290.18143	8.4
307.20731	77.5
308.20343	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2056
Annotation	Callyspongenol B
Peak:m/z	Relative Intensity
51.02401	1.5
53.03926	2.8
55.01870	4.0
55.05507	5.6
57.03434	3.4
67.05507	8.6
69.03440	2.7
69.07079	8.9
70.37929	4.1
71.04998	1.9
79.05502	15.1
81.03417	2.2
81.07059	21.4
83.04987	2.1
83.08625	2.4
84.19401	1.2
85.06554	2.1
91.05486	19.9
93.07050	14.8
95.04971	17.5
95.08614	8.5
97.06547	12.6
97.07103	2.3
103.05488	1.9
105.07028	33.4
107.04966	2.3
107.08583	10.5
109.06496	6.8
109.10181	4.8
115.05504	3.0
115.99666	1.3
116.06277	1.3
117.07019	10.3
119.08573	30.7
121.06523	3.3
121.10143	9.1
123.08086	2.2
123.11703	1.8
128.06236	10.1
129.07016	9.5
130.07797	3.7
131.08568	15.8
132.09311	1.4
133.06490	2.6
133.10130	46.5
135.08092	3.3
141.06993	8.5
142.07813	11.9
143.08562	32.1
144.09334	5.6
145.06519	2.3
145.10127	23.3
147.08072	8.4
147.11687	5.5
149.09570	2.8
151.11278	1.8
153.07002	2.5
154.07828	5.5
155.06032	1.3
155.08562	10.0
156.09326	10.3
157.10127	23.7
157.11273	1.9
158.10954	4.4
159.08107	2.8
159.11682	17.9
161.09656	6.9
163.11159	1.4
165.07018	4.2
166.07811	3.1
167.08539	8.2
168.09363	2.9
169.10143	18.4
170.10889	3.9
171.11710	14.7
172.08850	2.5
173.09662	3.1
173.13268	12.0
175.11079	1.8
178.07773	2.4
179.08589	5.6
180.09369	4.0
181.10092	11.2
182.10886	10.8
183.11725	11.6
184.12451	3.1
185.09631	3.6
185.13272	4.6
187.11159	7.6
187.14822	1.9
191.08507	2.1
192.09354	6.3
193.10135	13.1
194.10925	4.5
195.11691	12.0
196.12448	5.6
197.13264	17.5
198.13916	2.2
199.11230	1.7
199.14882	5.6
203.08456	1.6
204.09373	2.0
205.10196	4.8
206.10921	12.2
206.28838	1.4
207.11682	15.8
208.12503	8.1
209.13252	13.6
210.13948	2.2
211.14873	9.7
216.09299	1.3
217.10220	4.0
218.10960	5.3
219.11661	7.9
220.12566	4.6
221.13252	21.5
222.10506	1.9
222.13950	4.9
223.11320	2.0
223.14821	14.2
224.15530	1.8
225.12761	1.7
225.16341	2.0
227.14304	2.2
229.10173	1.7
230.10828	2.0
231.11775	5.2
232.12529	5.2
233.13234	13.8
234.14034	7.2
235.14819	7.0
236.12064	1.9
236.15683	1.6
237.12781	3.0
237.16302	7.9
239.17833	2.3
244.12599	3.6
245.13298	4.8
246.14114	3.9
247.14899	7.5
248.15587	6.4
249.16322	9.0
251.14349	8.5
251.18019	4.0
259.14835	9.4
260.15549	2.6
261.16379	3.2
263.17957	21.1
264.18448	2.3
265.15924	3.7
265.19513	3.4
274.17163	9.4
279.21106	7.8
289.19574	19.6
307.20618	100.0
308.20859	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	307.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.9
55.01865	13.4
55.05511	40.0
57.03425	4.7
57.07058	3.6
59.04987	2.1
62.61366	1.2
65.03934	2.5
67.05503	40.8
69.03417	4.9
69.07070	15.6
69.42072	1.1
71.04981	3.4
71.30145	1.4
71.44501	1.2
79.05493	62.5
81.03403	4.7
81.06584	2.3
81.07053	38.4
83.04990	7.6
83.08614	19.6
85.06520	3.0
89.17747	1.2
91.05479	43.1
93.07040	39.4
95.04964	9.8
95.08607	26.9
97.06524	19.7
97.10161	27.5
99.08089	1.9
105.07035	41.6
107.04958	16.9
107.08588	100.0
108.08927	3.1
109.06514	12.3
109.10155	17.3
111.08070	3.9
115.05484	1.3
117.07016	9.6
119.06085	2.1
119.08578	23.4
121.06523	3.6
121.10139	14.5
123.08044	3.5
123.11703	3.4
125.09625	33.6
126.61347	1.2
129.07014	3.1
131.08557	15.1
133.10117	21.4
135.08063	12.3
135.11691	8.6
137.05972	3.1
137.09544	3.0
141.06996	1.7
143.08527	2.5
145.10095	15.6
146.10400	1.6
147.11676	16.4
149.09616	27.5
149.13260	3.5
151.11130	3.2
153.09146	7.1
153.12700	1.4
157.10117	4.4
157.12256	3.3
159.11684	10.4
161.09596	2.2
161.13258	7.5
163.11166	4.8
165.09140	1.7
165.12732	2.5
169.10100	3.6
171.10258	2.7
171.11690	4.3
173.13252	5.0
175.11189	1.4
177.12738	2.1
181.12204	2.9
183.11693	3.6
185.13199	2.0
197.13371	2.8
203.12790	21.3
205.12210	2.1
207.11642	2.0
215.14423	1.4
215.17860	1.9
219.17513	2.6
229.19518	3.8
239.17911	6.5
247.20596	3.6
257.19034	13.3
268.24350	1.4
275.20050	68.0
276.20441	3.8
289.21628	9.4
307.19702	1.8
307.23004	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	307.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.1
53.13738	2.7
55.01874	6.0
55.05519	27.1
57.03441	30.4
57.07080	7.0
64.17804	2.7
65.03927	3.1
65.38747	2.8
67.05504	100.0
68.05848	2.6
69.03455	2.8
69.07064	22.6
69.30479	15.1
71.08631	3.9
71.69761	2.5
79.05495	68.0
81.03410	5.6
81.07054	80.7
83.04985	8.0
83.08608	8.2
85.06544	4.7
87.68656	2.6
91.05476	32.6
93.06475	4.5
93.07048	70.5
94.07338	3.1
95.04988	15.0
95.08603	55.2
97.06533	6.9
97.10139	3.5
98.06011	3.6
98.23325	5.3
99.08065	5.0
105.07024	29.4
107.04955	7.9
107.08586	26.3
109.06522	9.8
109.10145	25.6
111.08070	4.3
117.07035	8.4
119.08550	21.4
119.72588	2.5
121.06532	5.2
121.10134	35.1
123.08079	7.7
123.11707	9.0
125.09620	3.3
129.07005	3.5
131.08542	19.7
133.10143	18.6
135.08115	3.0
135.11697	20.9
137.09599	7.2
145.10097	8.8
147.11700	12.4
149.09648	5.4
149.13254	8.4
151.11203	5.8
155.08507	4.0
157.10121	3.2
159.08122	4.2
159.11681	11.2
161.13293	3.8
163.11208	8.6
165.12761	3.4
171.11644	2.8
173.13263	4.7
177.12674	2.8
206.45842	2.9
210.03731	2.8
215.17941	11.0
257.18875	4.3
275.20096	32.5
306.84354	2.8
307.22794	85.4
308.23090	4.9
308.29413	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	307.2266
Annotation	[8]-Paradol
Peak:m/z	Relative Intensity
52.36456	0.3
53.03936	0.6
55.01855	0.9
55.05513	4.0
57.03424	0.6
57.07059	0.7
59.04996	0.5
64.02562	0.3
65.03933	0.7
67.05504	7.2
69.07063	3.1
71.04968	0.6
71.08625	1.5
76.03480	0.3
79.05493	6.0
81.03415	0.7
81.07056	8.7
81.43594	0.3
83.04967	0.6
83.08614	2.2
85.06517	0.6
90.27132	0.3
91.05476	4.3
93.07035	4.4
95.04955	4.7
95.08596	5.4
96.08896	0.3
97.06534	0.8
97.10160	0.9
99.08095	1.1
105.07018	2.7
107.04940	4.2
107.08596	1.8
108.05744	1.7
109.06516	3.2
109.10166	1.3
111.08069	0.6
112.14458	0.3
117.07017	1.6
119.08595	1.9
121.06505	5.8
121.10157	1.4
123.07315	0.3
123.08076	2.1
123.11729	0.4
125.09610	0.7
129.06967	0.5
129.50714	0.3
131.08556	1.9
133.10110	1.1
135.08066	1.2
135.11684	0.8
137.09525	0.4
138.61761	0.3
141.06944	0.4
143.08502	0.5
145.10127	1.2
147.11722	0.7
149.09578	0.9
151.11215	1.9
155.10555	0.5
157.10162	0.3
159.11703	1.0
163.11249	0.5
164.11977	2.3
165.12764	1.5
169.10132	0.5
173.13243	0.5
177.12735	2.1
183.11737	0.4
191.14325	0.4
197.13222	0.5
221.13199	0.4
233.18793	0.3
247.20607	0.3
251.16373	0.9
257.19009	0.7
275.20169	1.9
307.22668	100.0
308.22983	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	307.2266
Annotation	Glanvillic acid A
Peak:m/z	Relative Intensity
53.03948	0.7
54.97342	0.7
55.01872	2.6
55.05272	0.8
55.05514	8.8
57.03429	1.1
57.07080	5.7
60.52826	0.5
65.03938	0.6
67.05502	10.6
69.03412	1.6
69.07075	7.8
69.57942	2.5
71.05006	2.5
71.08628	7.1
74.82821	0.5
79.05492	7.1
79.74358	0.6
81.07056	15.1
83.04963	1.9
83.08612	3.4
85.06526	3.3
87.74796	0.5
91.05490	5.5
93.07043	10.4
95.04967	19.6
95.08603	11.4
97.06529	4.0
97.10156	1.6
98.23386	0.5
99.08101	5.5
105.07029	8.3
107.04941	0.8
107.08594	7.1
108.05759	1.0
109.06519	46.3
109.10144	3.2
110.06839	0.7
111.08057	1.4
117.07018	1.3
119.08587	6.0
121.06503	6.9
121.10153	4.0
123.04586	0.6
123.08068	3.5
123.11708	0.9
125.09624	0.7
129.06856	0.5
131.08556	5.2
133.10139	3.3
135.08037	3.9
135.11700	1.4
137.09627	1.6
137.13303	0.5
139.07422	0.5
139.11198	1.1
141.09070	0.6
141.18402	0.6
143.08524	0.9
145.10124	2.9
147.08028	0.9
147.11639	3.2
149.09612	2.0
149.13239	1.1
151.11192	1.2
153.12752	1.6
157.10086	1.0
159.08015	0.7
159.11671	1.5
159.74966	0.6
161.13289	2.0
163.11189	2.7
163.14786	1.1
165.12755	100.0
166.13100	3.4
171.11688	0.9
173.13220	2.8
175.11203	0.9
175.14803	0.8
177.12740	3.9
179.14302	2.0
187.14792	0.9
189.16359	0.6
191.14284	3.6
197.13255	0.8
201.12744	0.9
205.15845	1.0
205.55464	0.6
219.17485	1.0
233.15364	0.9
247.20567	0.8
251.16393	7.4
253.19536	0.6
261.22119	5.4
271.20502	1.7
275.20001	2.0
289.21594	24.7
290.21979	0.9
291.64346	0.6
307.22672	81.4
308.23102	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.6
55.01865	13.6
55.05512	30.6
57.03446	9.4
57.07065	2.4
67.05503	72.2
69.03423	4.9
69.07067	35.1
69.58031	6.5
71.04974	6.8
79.05490	49.4
81.03417	10.5
81.07055	92.6
82.07383	2.8
83.04987	7.3
83.08629	15.5
85.06548	3.7
87.72445	2.0
91.05483	49.4
93.07044	52.5
95.04968	54.6
95.08608	53.0
97.06532	12.7
97.10148	2.1
98.23270	3.1
99.08074	3.1
103.05466	2.3
105.07031	50.8
107.04926	9.2
107.08595	26.4
109.06527	17.5
109.10147	28.5
110.06865	2.4
111.08080	8.3
117.06992	17.1
118.09438	2.0
119.08573	44.0
121.06487	6.3
121.10130	23.1
123.08081	27.7
123.11695	11.8
125.09612	4.6
129.07060	3.2
131.08572	19.7
133.10126	30.2
135.08073	12.2
135.11702	10.5
137.09615	15.5
137.13301	2.2
143.08583	5.5
145.10104	20.2
147.11688	24.6
149.09639	13.6
149.13245	4.6
151.11189	7.8
155.08545	4.1
157.10172	4.0
159.11665	17.0
161.09613	3.1
161.13239	6.5
163.11174	8.7
165.12726	6.1
169.10043	2.6
171.11694	5.1
173.13252	14.2
177.12740	3.9
183.11703	5.4
185.13255	2.9
187.11099	2.2
191.14311	3.4
197.13391	3.5
201.12732	4.3
207.13773	3.2
213.16354	2.2
219.13683	3.9
219.17461	8.9
229.19464	6.2
233.15344	3.0
237.81886	2.2
239.17975	3.5
246.22731	1.9
247.20593	11.1
257.19052	10.6
275.20068	100.0
276.20419	7.9
279.23141	2.3
289.21613	13.2
303.97012	2.2
307.22729	47.4
308.22897	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	307.2267
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03952	5.3
55.01875	14.8
55.05518	27.8
57.03439	6.1
57.07092	4.8
58.37093	1.8
59.05016	2.0
65.03934	3.0
66.80699	1.9
67.05510	67.5
69.07077	31.6
69.40742	11.8
71.05000	5.3
77.03889	2.0
79.05497	53.5
81.03413	9.4
81.07059	86.0
83.04985	8.6
83.08631	12.0
85.06560	4.2
91.05484	41.5
93.07046	46.3
95.04977	44.7
95.05560	3.0
95.08614	52.5
96.05311	1.9
97.06540	14.1
97.10195	5.5
103.05470	3.7
105.07036	53.9
107.04959	9.7
107.08598	32.3
109.06515	19.2
109.10159	29.9
111.06149	2.0
111.08106	5.5
117.07024	14.1
119.08581	52.0
121.06526	7.7
121.10149	22.8
123.08060	21.6
123.11724	8.1
125.09661	5.0
129.07085	2.9
131.08572	18.9
133.06500	2.4
133.10129	36.2
134.10512	2.2
135.08066	9.4
135.11707	11.5
137.09627	19.0
139.11255	2.9
143.08595	4.2
145.10109	21.7
147.11679	21.4
147.57188	2.0
149.09604	14.3
149.13309	4.2
151.11157	13.1
155.08578	3.1
157.10197	5.2
159.08057	2.7
159.11685	16.1
161.13297	6.2
163.11156	10.8
165.12804	6.6
169.10210	3.1
171.11703	5.0
173.13309	10.1
175.11212	4.4
177.12755	5.4
183.11748	3.8
187.14854	2.6
189.12727	3.1
191.14351	2.3
197.13300	3.3
201.12737	4.6
207.13808	4.6
229.19531	6.2
233.15427	2.0
239.17963	6.5
247.20576	13.7
257.19025	12.6
263.20264	2.6
275.20087	100.0
276.20435	5.3
289.21674	9.9
307.22742	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80304	1.7
53.03945	16.4
55.01871	30.3
55.05515	76.0
57.03432	7.4
57.07077	20.9
59.05008	4.9
65.03945	4.5
67.05505	100.0
69.03426	5.3
69.07070	32.9
69.60944	5.7
69.61356	4.5
71.04993	9.3
73.06555	2.2
77.03963	2.0
79.05496	77.2
81.03418	57.6
81.07057	96.9
83.04973	20.4
83.08620	28.9
85.06551	18.6
91.05480	65.5
93.07047	69.6
94.07372	2.6
95.04972	48.1
95.05565	3.3
95.08610	66.7
97.06554	11.1
97.10169	22.5
99.08107	2.6
101.83253	1.7
103.23627	1.8
105.07031	54.6
107.04953	28.3
107.08594	53.6
109.06532	14.8
109.10156	34.9
111.08092	14.6
112.66306	1.7
113.09675	3.9
117.07018	23.0
119.08585	36.4
121.06499	14.3
121.10149	37.5
121.11011	2.5
122.10474	2.0
123.04447	11.3
123.08057	37.1
123.11715	9.5
125.09650	29.4
127.07578	3.2
129.07047	6.4
131.08560	35.8
132.02171	2.2
133.06534	11.2
133.10130	45.4
135.08069	16.9
135.11653	15.7
137.09615	71.9
139.11169	2.3
141.07018	4.5
143.08574	4.0
145.06543	2.2
145.10104	25.6
147.11674	20.9
149.09621	32.7
149.10703	2.4
149.13219	9.4
151.11182	25.8
155.08577	4.0
157.10181	4.1
159.08078	5.1
159.11691	19.2
161.09641	4.6
161.13281	6.0
163.11201	24.4
163.14810	9.1
165.09117	23.0
165.12727	9.4
169.10182	3.9
171.11710	5.5
173.09660	5.3
173.13261	15.0
175.11232	6.0
177.09103	8.6
177.12717	13.9
177.16422	2.5
179.10736	5.0
179.14452	3.1
183.11757	4.4
183.13936	2.0
187.11287	4.0
187.14784	4.1
189.12686	2.5
191.10669	4.3
191.14311	9.6
193.12225	3.4
197.13327	2.6
205.12268	2.4
207.13826	3.0
215.18015	4.6
218.29037	1.9
219.13803	1.8
223.60760	2.0
229.19464	9.4
233.15329	2.6
237.14833	2.0
239.17958	4.9
247.20587	13.4
257.19003	13.9
275.20062	91.6
276.20477	6.7
289.21890	2.6
307.22739	74.0
308.23022	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	307.2267
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
51.73563	1.2
53.03929	2.6
54.63025	1.2
55.01871	2.6
55.05268	1.9
55.05511	16.3
55.14963	1.2
57.03436	2.1
57.07069	2.1
59.04988	4.5
59.99404	1.2
65.03940	1.5
67.05504	29.1
69.03426	3.4
69.07067	14.5
69.10773	9.5
69.11185	2.2
71.04996	12.5
73.06548	3.4
73.13225	1.2
78.25754	1.2
79.05490	26.7
81.07053	27.4
83.04982	3.1
83.08624	6.6
85.06532	4.3
87.04462	2.5
87.08096	2.2
91.05476	38.1
93.07040	31.0
95.04979	7.4
95.08600	23.1
97.06552	8.5
97.10163	5.3
99.08110	3.2
103.05508	2.4
105.07027	46.4
107.04951	3.7
107.08589	24.4
107.59740	1.3
109.06520	17.7
109.10168	12.6
110.07365	1.4
111.08073	2.7
117.07027	10.9
118.07339	1.5
119.08580	37.3
120.08927	1.3
121.06504	9.9
121.10146	14.1
123.08078	16.9
123.11706	2.9
125.09602	4.9
127.07516	1.3
129.07002	3.0
131.08574	17.4
133.06491	1.7
133.10123	26.4
134.10532	1.3
135.08028	7.3
135.11670	7.0
137.09637	11.5
139.11174	2.0
141.06982	2.0
143.08546	3.1
145.10107	12.9
147.07973	2.6
147.10588	2.5
147.11682	24.0
149.09604	6.4
149.13295	2.9
151.11174	14.9
155.08585	3.3
157.10126	4.3
159.08035	2.1
159.11687	9.5
161.09618	2.5
161.13229	4.8
163.07472	2.2
163.11191	8.0
165.12770	11.0
169.10104	2.3
171.11684	3.1
173.09666	1.3
173.13252	5.5
177.12737	4.7
179.14288	3.8
183.11711	2.6
187.11156	2.0
187.14748	3.2
191.14288	1.4
197.13251	3.3
215.14375	1.7
219.13820	1.6
229.19501	4.3
233.15318	3.8
239.18001	9.8
247.20665	3.8
249.18494	2.3
257.18976	9.9
261.13654	1.3
275.20053	59.7
276.20374	4.1
289.17996	6.0
289.21204	3.0
307.19208	5.6
307.22665	100.0
308.22992	6.7
326.44006	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	Litseakolide B
Peak:m/z	Relative Intensity
52.84311	2.6
53.03942	6.5
55.05510	27.7
57.03439	32.6
63.41909	2.5
65.03948	5.2
67.05505	100.0
69.07072	16.5
69.14462	2.6
71.04987	5.2
79.05496	66.3
79.48143	2.7
81.07053	77.0
83.04969	2.7
83.08617	9.4
85.06548	3.9
91.05475	29.7
93.07050	68.1
95.04927	4.8
95.08607	56.7
97.06519	4.4
98.23473	6.3
99.08064	4.1
104.40989	2.8
105.07014	20.2
107.08598	23.8
109.10168	26.0
117.07018	6.9
119.08586	10.8
121.10139	33.9
123.11677	8.2
131.08568	11.5
133.10133	14.3
135.11687	19.1
137.09575	3.2
145.10132	9.2
147.11713	8.8
149.13220	6.1
159.11667	7.2
173.13284	6.8
215.17947	11.4
228.90753	2.9
279.32489	2.6
307.22684	87.5
307.28006	16.7
308.23199	5.2
308.29492	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	307.2267
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
52.74235	1.7
53.03953	6.0
55.01877	10.4
55.05513	43.5
57.03436	17.0
57.07088	4.7
59.04990	3.8
65.03921	2.4
67.05507	41.5
69.03439	3.7
69.07067	23.3
69.61585	1.5
70.45145	2.6
70.45477	3.8
71.04996	19.6
73.06565	2.7
75.69127	1.7
77.66803	1.5
79.05492	51.7
80.05015	5.7
81.03407	6.1
81.07055	43.9
82.42476	1.6
83.04550	1.8
83.04958	8.7
83.08611	16.6
85.06557	5.1
87.04465	4.8
91.05479	58.5
93.07041	43.5
95.04975	20.7
95.08603	30.3
96.05734	1.8
97.06540	10.7
97.10170	13.1
99.04469	2.8
99.08087	3.6
103.05444	4.1
105.07031	70.3
107.04947	15.3
107.08597	34.3
109.06522	28.3
109.10159	16.7
111.08060	5.7
113.06030	3.3
115.05445	3.1
117.07014	17.5
119.08574	45.8
120.04423	2.3
121.02914	2.9
121.06505	32.2
121.10115	18.9
123.08064	18.5
123.11681	3.1
125.05999	2.1
125.09637	14.7
129.07034	5.6
131.08568	19.8
133.06528	2.4
133.10133	35.9
133.11072	3.1
134.10541	1.7
134.70114	1.8
135.08035	19.4
135.11710	7.8
137.09604	13.9
139.11169	3.0
141.07005	2.0
143.08580	4.4
145.06479	3.4
145.10118	22.0
147.08063	6.8
147.11688	30.1
149.09589	9.1
149.13239	2.7
150.15387	2.0
151.07599	10.4
151.11172	17.0
155.08580	3.9
157.10167	4.2
159.08064	30.7
159.11664	13.1
161.09608	4.8
161.13258	5.5
163.07573	7.5
163.11179	11.8
165.09145	1.9
165.12781	11.8
169.10141	3.8
171.10324	1.9
171.11710	6.0
173.09648	2.8
173.13251	8.1
175.11185	3.1
177.09163	5.0
177.12761	4.4
179.03535	2.3
179.14339	6.7
183.11737	3.2
185.09622	2.2
187.11168	2.9
187.14900	3.1
189.11250	5.3
189.12791	3.6
191.10780	2.4
191.14351	3.4
193.12222	2.3
197.13284	6.7
199.11247	3.3
211.14906	2.1
215.14384	4.2
219.13800	3.3
229.15894	3.0
229.19562	6.3
233.15388	15.3
235.13470	2.6
237.14926	2.6
239.18004	8.7
239.20087	1.8
243.17441	3.3
247.20677	3.4
253.15802	5.3
257.18948	12.4
261.18344	2.7
271.16934	9.8
275.20032	67.8
276.20377	4.2
279.35034	1.9
289.18027	41.8
289.21515	6.0
307.19046	25.9
307.22687	100.0
308.19504	2.8
308.22971	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	308.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.01874	0.3
57.03435	1.0
58.06598	0.2
61.02921	0.8
63.98420	0.2
65.03934	0.4
69.03432	3.1
70.06577	0.4
71.01340	0.3
71.04282	0.2
71.04608	0.3
71.04990	0.4
73.02930	0.3
75.79296	0.2
76.11823	0.2
80.05020	0.3
81.03418	1.4
81.68892	0.2
82.06590	0.2
84.04520	1.0
84.08143	4.2
85.02904	4.0
85.04842	0.4
85.07945	0.3
85.08463	2.4
86.06077	0.3
86.09727	0.2
87.04473	0.4
88.03975	0.3
91.03979	0.2
91.05486	2.4
94.30256	0.2
95.04946	0.5
97.02893	4.0
98.22668	0.2
99.04455	0.6
101.02419	0.3
107.04944	0.4
109.02880	0.4
116.98688	0.2
119.04097	0.4
119.04944	6.4
120.04470	4.8
123.04429	1.8
127.03948	1.2
130.06541	0.3
131.06857	0.3
136.04813	0.2
137.08340	0.2
141.13879	0.3
144.04774	4.1
145.04947	0.4
146.06010	100.0
147.04411	24.0
147.06195	3.3
150.09177	0.4
158.06010	0.3
158.45500	0.2
159.06419	0.3
163.45554	0.2
165.05457	0.8
166.05008	3.7
168.10194	0.2
169.13361	0.3
170.13705	0.3
176.07042	0.3
185.79509	0.2
201.06366	2.8
215.13910	0.7
216.14238	1.6
224.09219	0.2
233.08983	0.3
243.17181	0.6
244.17358	2.1
267.08688	0.3
267.69995	0.2
277.07983	1.3
291.08328	1.0
308.11465	1.8
308.17456	0.6
309.09042	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	308.2219
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
51.82536	0.3
54.85612	0.3
55.01861	0.4
55.05499	0.8
57.03432	0.3
57.07053	0.4
58.70696	0.3
62.95996	0.3
66.04717	0.5
67.05490	1.4
69.07069	1.7
70.02126	1.2
70.22800	0.3
71.04982	0.3
71.08622	1.2
79.05492	1.6
81.07052	3.3
83.08620	0.6
91.05467	1.2
93.07047	1.2
94.04189	2.3
95.04945	0.5
95.08604	1.8
99.08064	0.3
102.73804	0.3
105.07036	0.7
107.04941	0.7
107.08597	0.6
109.06490	2.2
109.10163	0.5
110.06868	0.6
111.11619	0.4
119.04839	0.3
119.08597	0.5
120.04460	1.4
122.03650	7.2
122.06854	0.3
123.07998	0.5
123.60266	0.4
131.08545	0.5
133.10081	0.4
135.08109	0.4
137.05975	100.0
137.13252	0.6
138.06326	3.3
144.04785	0.9
147.04356	1.0
165.12770	1.9
165.13945	0.3
166.05013	1.1
166.13074	0.5
171.11703	0.3
172.16972	1.3
184.16924	2.6
215.24953	0.3
216.40811	0.3
286.08057	0.3
286.81528	0.3
290.21765	0.4
291.23239	1.8
308.22873	2.6
308.26004	0.6
308.88669	0.4
309.09058	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0904
Annotation	Alprazolam
Peak:m/z	Relative Intensity
57.03445	2.1
59.99131	0.5
65.03949	2.5
67.05509	0.8
69.03439	6.1
69.36411	3.3
71.01360	0.6
71.04994	2.6
81.03405	3.3
83.75311	0.6
85.02910	4.9
85.06567	0.7
91.05476	6.9
92.04993	2.1
94.30651	0.6
95.04978	1.4
97.02889	7.9
99.02668	0.8
99.04440	0.9
107.04949	1.2
107.08557	0.6
109.02858	1.2
113.02960	4.2
113.06005	2.0
119.04088	1.1
119.04948	21.2
120.04468	100.0
121.04787	2.2
123.04450	3.9
126.03749	6.6
127.03907	2.1
131.03502	0.8
131.07016	1.5
144.04781	85.7
145.05052	1.9
147.04405	73.5
148.03897	2.2
148.04857	1.3
158.04095	0.7
165.05484	3.3
166.04999	79.4
167.05344	1.8
180.88992	0.6
195.12202	0.7
201.06366	4.5
208.38722	0.6
265.09982	3.3
277.07962	1.7
291.08026	8.2
309.09018	43.8
310.09280	2.7
315.85510	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41673	0.3
53.00315	0.3
53.03940	1.3
54.94162	0.3
55.01866	0.4
56.65325	0.3
57.03432	2.6
60.31192	0.3
61.02908	0.3
65.03942	1.2
69.03429	7.5
70.66273	0.5
71.01357	0.4
71.04991	1.1
73.02935	0.5
81.03423	3.4
85.02905	3.6
91.05478	11.0
95.04972	2.5
97.02887	8.7
99.04431	1.9
101.02376	0.4
107.04927	1.6
109.02857	1.1
119.04939	25.7
120.04483	0.5
120.05281	0.7
121.06510	0.4
123.04430	11.0
124.04688	0.4
127.03919	3.1
145.04929	0.4
147.04402	100.0
148.04742	3.0
165.05470	3.4
199.87381	0.3
236.94066	0.3
242.62170	0.3
267.08606	2.4
291.08563	1.9
292.08914	0.4
309.09598	1.9
320.67978	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58327	0.2
53.03936	0.8
53.36032	0.3
55.01873	0.5
57.03442	2.1
64.76294	0.2
65.03941	0.9
65.13403	0.3
69.03432	7.8
69.27160	1.1
69.27590	0.9
71.01358	0.6
71.05003	0.5
72.44675	0.3
73.02902	0.3
76.25369	0.3
76.74737	0.3
81.03426	2.8
85.02439	0.4
85.02915	5.2
90.77766	0.2
91.05486	9.6
97.02895	16.4
98.23365	0.5
99.04475	1.4
101.02399	0.9
101.25318	0.3
105.07043	0.5
109.02896	0.9
119.04951	25.1
119.08586	0.7
120.04470	0.6
120.05264	0.6
121.10175	0.5
127.03930	1.8
142.46637	0.3
144.04755	0.4
145.10147	0.7
147.04414	100.0
147.11693	1.8
148.04744	2.4
157.10161	0.8
159.11699	0.7
165.05495	4.3
167.00589	0.3
175.11162	0.4
177.54498	0.3
249.07603	0.6
249.18158	0.3
267.78687	0.3
273.15012	0.4
291.08624	2.9
300.74435	0.3
309.09668	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	309.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
57.03433	1.3
65.03932	1.0
66.26217	0.2
69.03435	5.8
69.20857	1.0
69.21284	1.1
71.01373	0.5
71.04974	0.4
77.36389	0.3
78.56318	0.4
81.03423	2.7
85.02912	3.4
89.03944	0.3
91.05483	9.9
92.05829	0.4
97.02900	13.7
98.22646	0.7
99.04456	1.2
101.02395	0.7
101.34156	0.3
109.02874	0.9
113.15257	0.3
119.04951	26.1
120.05270	0.8
123.04416	0.3
127.03942	1.4
132.67247	0.3
145.04999	0.3
147.04416	100.0
148.04758	2.8
153.11070	0.3
165.05478	4.9
194.44298	0.3
249.07677	0.4
291.08649	1.8
309.09689	6.0
310.09885	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
53.49271	0.3
55.01877	0.3
56.42521	0.3
57.03436	1.3
57.40960	0.3
65.03947	0.7
69.03431	5.8
69.80789	0.5
69.81175	0.5
70.74754	0.2
71.01366	0.7
71.04991	0.6
81.03420	2.7
85.02906	3.6
91.05486	12.0
97.02898	14.7
98.23264	0.4
98.34280	0.2
99.04443	0.8
100.66273	0.3
101.02391	0.7
101.03054	0.3
102.25973	0.3
109.02888	0.8
110.06348	0.3
119.04949	27.1
120.05309	0.8
123.04445	0.3
127.04001	1.3
147.04414	100.0
148.04758	2.7
150.64365	0.3
165.05484	3.8
249.07602	0.4
291.08676	2.3
309.09729	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
55.01852	0.4
55.96917	0.2
57.03435	2.5
65.03938	1.2
69.03429	7.1
69.11552	1.5
69.11978	0.8
71.01334	0.8
71.04990	0.7
81.03407	2.6
85.02911	4.2
91.05482	10.6
95.04967	1.5
97.02892	14.3
99.04455	1.3
101.02381	0.6
107.04958	1.2
109.02878	1.0
119.04942	25.5
120.05257	0.5
123.04425	5.7
127.03910	2.0
128.23094	0.3
144.04683	0.4
147.04407	100.0
148.04753	2.8
156.17108	0.3
165.05470	4.7
168.21890	0.3
249.07751	0.4
267.08636	1.3
267.68423	0.3
291.08652	2.3
309.09775	2.9
328.40829	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87503	0.3
50.89796	0.3
53.03950	0.6
57.03428	1.1
65.03932	1.1
69.03429	6.4
69.14960	2.1
71.01345	0.5
71.05006	0.6
77.84767	0.3
81.03416	2.5
85.02901	3.3
91.05479	11.7
94.81703	0.3
97.02888	15.4
98.03226	0.4
99.04455	0.7
101.02378	0.8
109.02867	1.0
110.01001	0.3
115.03935	0.3
119.04942	25.8
120.04477	0.3
120.05273	0.6
121.25107	0.3
127.03896	1.3
147.04405	100.0
148.04752	2.5
150.48996	0.3
153.77362	0.3
165.05487	3.9
291.08591	2.0
302.91837	0.3
309.09705	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17116	0.2
53.03949	0.4
53.51352	0.2
55.01849	0.3
57.03437	1.6
65.03941	0.7
69.03429	6.2
71.01345	1.0
71.04987	0.8
73.02904	0.5
74.12466	0.2
81.03408	2.4
85.02436	0.3
85.02909	3.1
86.49409	0.2
91.05483	9.6
91.45586	0.3
97.02895	14.4
99.04452	1.3
101.02383	0.7
109.02876	0.8
119.04945	25.1
119.85679	0.2
120.05293	0.8
127.03898	1.3
147.04410	100.0
148.04749	2.9
165.05466	4.8
169.02184	0.2
249.07597	0.3
291.08658	2.6
309.09668	5.9
310.09918	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45057	0.3
53.03945	0.5
54.96059	0.3
57.03425	1.2
65.03937	1.1
68.67046	0.3
69.03432	5.7
69.23419	0.7
69.23841	1.8
70.49606	0.3
71.01358	0.8
71.05000	0.4
81.03436	2.4
84.14521	0.3
85.02905	3.1
91.05480	12.1
91.25910	0.3
97.02892	15.8
99.04443	0.9
101.02399	0.8
109.02876	0.8
111.63469	0.4
119.04945	27.5
120.05279	0.6
127.03912	1.2
128.11032	0.4
143.65100	0.4
147.04405	100.0
148.04727	2.3
159.56895	0.4
165.05476	4.8
249.07579	0.4
250.47682	0.3
291.08560	2.4
309.09735	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	309.206
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03946	6.1
54.41960	3.6
55.01857	9.8
55.05516	19.8
57.03441	38.4
58.14269	3.8
61.39896	3.6
67.05505	43.8
69.03432	12.3
69.07053	10.1
70.53909	7.5
70.54286	4.5
71.04986	8.4
76.57520	3.6
79.05495	42.0
81.03409	4.4
81.07059	55.5
83.04974	16.4
83.08612	11.6
85.06547	33.5
88.65852	3.6
91.05492	31.2
93.07065	26.5
95.04979	44.7
95.08604	12.4
96.95431	4.2
97.06568	4.4
97.10171	9.0
105.07037	23.9
107.05022	4.1
107.08601	23.8
109.06535	49.0
109.10136	11.7
111.04456	14.3
111.28427	3.9
113.06010	100.0
117.07004	8.6
119.04949	6.8
119.08604	26.0
120.04461	11.1
121.06488	5.4
121.10153	15.6
123.08091	6.5
125.09627	7.4
129.07019	4.9
131.08563	13.7
133.06462	4.0
133.10136	8.5
135.08047	32.0
135.11661	10.1
143.08574	9.9
144.04810	5.8
145.10127	13.2
147.04402	13.8
147.08064	10.1
149.09644	6.8
157.10130	4.4
158.06950	3.9
159.11699	4.0
161.09590	8.9
163.11162	4.4
166.05098	5.4
171.11722	4.9
189.16324	4.7
191.10753	6.1
199.14819	7.4
217.15825	13.9
273.18570	28.3
291.19574	64.9
309.20615	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	309.206
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03946	2.4
53.50592	1.1
55.01871	5.0
55.05514	31.5
57.03436	1.9
59.05005	1.8
65.03920	1.4
66.46781	1.0
67.05505	13.8
69.03432	3.2
69.07069	11.0
69.53239	5.4
71.05006	2.6
71.08608	1.2
79.05502	18.3
81.03422	2.2
81.07053	21.2
83.05003	5.2
83.08614	15.6
85.02888	1.1
85.06585	1.0
91.05496	12.3
93.07047	12.7
95.04966	5.8
95.08611	9.2
97.02916	1.1
97.06514	2.7
97.10172	23.6
105.07038	9.8
107.04982	4.1
107.08593	9.4
109.02891	1.2
109.06519	2.8
109.10173	4.9
111.04469	2.1
111.08084	3.0
117.07018	2.9
119.04960	2.9
119.08582	7.7
120.04483	5.2
121.06534	2.4
121.10136	5.9
123.04462	1.3
123.08072	6.4
123.11739	1.6
124.85830	1.1
125.09631	15.4
129.07034	2.4
131.08507	5.3
133.06505	4.0
133.10141	4.4
135.08058	2.4
135.11702	1.8
137.09586	2.2
138.16031	1.1
139.11179	1.9
143.08546	2.5
144.04823	3.6
145.10129	4.6
147.04440	4.3
147.08022	6.0
147.11682	4.2
149.09660	1.5
153.09070	1.5
157.10123	2.1
159.11711	1.4
161.09621	2.0
163.11192	3.5
165.09085	5.1
166.05032	4.1
167.08569	1.3
171.10117	1.3
171.11665	3.1
173.09720	1.0
175.11172	1.6
185.09593	1.0
187.10941	1.1
189.11229	10.0
189.12766	2.8
217.12239	2.2
223.13297	2.1
245.18933	1.3
249.14859	1.9
263.19934	1.8
273.18494	12.6
291.19547	100.0
292.19849	6.2
309.09085	1.4
309.20627	6.9
310.23721	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03947	15.9
55.01867	13.3
55.05515	38.7
56.62965	2.8
57.03441	32.3
57.07074	6.7
59.05015	3.3
65.03944	5.8
66.22585	2.7
67.05508	100.0
69.03425	6.4
69.07065	36.2
71.04987	10.0
71.29189	4.6
79.05058	5.8
79.05492	55.5
80.32213	2.9
81.03412	39.5
81.07056	98.4
83.04972	11.0
83.08631	19.8
85.02921	4.3
85.06531	8.9
91.05482	49.3
93.07057	51.2
95.04970	21.6
95.08611	75.5
97.02901	6.1
97.06525	13.8
97.10145	12.8
99.08119	5.1
105.07030	31.4
107.04963	11.5
107.08641	19.2
109.06509	41.2
109.10154	28.6
111.04430	12.8
111.08076	3.2
113.05994	10.5
117.07035	14.1
119.04951	5.3
119.08553	23.4
120.04472	31.6
121.06506	6.3
121.10129	21.2
123.08064	13.5
123.11701	10.3
129.05490	3.5
129.07014	5.4
131.08560	18.5
131.59895	2.9
133.06511	6.4
133.10144	18.6
135.08034	31.3
135.11748	18.6
137.09674	3.7
137.13242	3.9
141.06963	3.6
143.08611	7.2
144.04793	27.4
145.10107	12.7
147.04410	29.4
147.08064	3.6
147.11685	7.8
149.09599	5.7
149.13199	4.3
155.08606	3.9
157.10100	6.2
159.08008	4.3
159.11725	9.0
161.09622	6.5
161.13251	10.3
166.04982	25.3
171.11697	5.6
173.13196	3.3
175.11035	3.6
177.12851	4.4
183.11824	4.4
185.13286	5.5
195.13852	3.6
209.13165	3.7
217.15858	8.3
217.19580	6.9
235.20375	3.2
249.14838	2.9
273.18417	26.2
291.19559	89.1
309.09125	12.4
309.20929	6.8
309.24316	55.3
310.25317	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	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03943	7.6
55.01868	15.3
55.05512	35.3
57.03429	9.9
57.07062	4.5
65.03945	3.1
66.04738	1.7
66.10882	1.9
67.05507	72.3
68.05840	1.9
69.03420	4.6
69.07072	25.8
69.70149	2.3
69.70434	10.3
70.92239	2.1
71.04995	9.6
79.05497	48.5
79.84003	1.9
81.03409	8.4
81.07059	100.0
82.07384	3.7
83.04978	30.4
83.08627	13.3
85.02905	3.2
85.06539	6.3
91.05488	39.9
93.07046	40.6
95.04954	14.8
95.08602	39.9
97.02890	3.7
97.06535	8.4
97.10159	8.5
99.04465	4.8
99.08079	3.6
105.07036	44.5
107.04965	6.5
107.08598	41.1
109.06516	8.2
109.10166	59.9
111.04459	3.8
111.08066	6.6
113.05994	2.1
117.07012	9.0
119.04937	3.9
119.08567	18.1
120.04478	19.9
121.06513	5.6
121.10147	14.1
123.04458	2.4
123.08052	7.1
123.11717	9.8
125.05987	2.7
125.09660	4.6
127.03876	2.0
127.07625	4.1
128.06210	3.2
129.06992	5.9
131.08583	10.4
133.06453	4.6
133.10126	61.3
134.10556	2.8
135.08035	5.1
135.11691	9.0
137.09697	3.1
139.07526	2.7
142.07709	2.2
143.08530	4.9
144.04759	16.1
145.10112	12.1
145.52217	2.2
147.04427	14.8
147.08037	7.4
147.11665	7.1
149.09637	6.0
151.11160	33.5
151.12309	2.7
157.10115	7.4
159.11746	4.5
161.09616	5.6
161.13251	4.0
163.11183	4.4
165.09065	2.4
166.05028	15.2
167.10738	2.5
169.10033	2.7
169.12248	6.3
171.11726	4.3
175.11153	3.9
177.12785	2.6
179.10789	3.0
185.13234	2.7
189.12833	3.2
195.11801	2.0
197.13486	2.1
215.12901	3.1
245.19038	6.5
263.20065	6.1
273.18500	21.3
277.20419	2.4
291.19547	43.5
309.08969	5.6
309.20752	14.5
309.24219	12.4
310.21381	2.2
310.25244	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03936	5.0
55.01874	21.6
55.05515	35.9
57.03429	5.0
57.07066	2.8
60.31585	1.6
65.03942	2.8
67.05505	74.7
69.03416	5.9
69.06728	2.7
69.07072	31.6
69.78410	5.2
69.78813	3.5
71.04984	10.6
77.20731	1.5
79.05496	45.5
80.05865	1.6
81.03405	4.0
81.07052	98.4
82.07378	1.8
83.01347	4.0
83.04965	16.0
83.08609	12.5
85.02910	1.8
85.06547	6.8
90.90281	1.7
91.05479	60.7
93.07040	54.3
95.04965	13.6
95.08608	31.3
97.06519	8.8
97.10144	4.5
99.04461	4.5
99.08073	2.7
105.07032	55.8
106.07314	2.0
107.04956	7.1
107.08593	49.7
108.08942	1.9
109.06518	12.6
109.10157	92.9
110.10474	2.5
111.04418	4.5
111.08077	9.8
113.06020	3.4
116.06210	1.9
117.07035	8.1
119.08573	18.2
120.04463	4.9
121.06481	10.2
121.10139	13.1
121.64230	1.7
123.04459	2.5
123.08061	5.9
123.11706	12.8
125.09623	3.8
127.07611	2.9
128.06178	1.9
129.07040	5.4
131.08568	15.0
133.06490	6.6
133.10132	100.0
134.10435	3.3
135.08092	3.9
135.11688	7.4
137.05951	2.7
137.09631	3.5
139.07561	6.2
143.08566	6.2
144.04784	4.1
145.10144	8.6
147.04497	2.5
147.08046	8.1
147.11690	8.3
149.09604	6.5
151.11179	55.2
153.09056	1.8
157.10138	4.0
159.08046	1.7
159.11700	4.8
161.09590	9.7
161.13225	3.9
163.11197	4.8
165.09160	1.7
166.05048	2.6
167.10632	2.2
169.12257	11.5
171.11665	5.7
173.09604	2.7
175.11201	4.8
177.09044	2.2
179.10666	3.6
179.14369	2.3
181.08572	3.4
181.12325	2.6
189.12735	3.5
195.13959	1.6
203.14497	1.6
207.13776	2.2
215.12805	3.5
227.18001	2.8
229.61285	1.8
245.19052	13.3
263.20044	10.3
273.18497	28.0
291.19516	55.2
292.19922	4.6
309.20511	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	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03930	5.8
55.01863	19.9
55.05509	35.9
57.03430	6.5
60.60558	3.7
67.05502	84.5
69.03415	8.9
69.07076	33.0
70.21899	3.9
70.53967	9.6
71.04995	11.7
71.28107	4.6
79.05498	67.5
81.03424	6.1
81.07054	100.0
81.76099	4.2
83.04974	13.2
83.08607	15.9
85.06505	7.5
91.05481	53.5
93.07040	52.2
95.04953	16.9
95.08602	64.3
97.06514	13.3
97.10191	5.8
99.04470	5.6
105.07029	53.7
107.04945	12.7
107.08575	38.0
109.06515	15.7
109.10156	61.8
109.37356	4.1
111.04463	7.5
111.08062	10.6
117.06992	7.7
119.08576	19.8
121.06494	14.1
121.10148	12.2
123.08039	11.2
123.11666	9.3
129.06905	7.6
131.08583	20.7
131.61807	4.2
133.06480	15.3
133.10127	84.9
134.10501	6.5
135.08058	12.5
135.11673	8.5
136.90982	4.3
137.05963	5.2
137.09531	7.0
139.07506	12.2
143.08464	7.6
145.10114	10.2
147.08038	10.5
147.11601	4.0
149.09698	10.7
151.11169	38.1
157.10164	5.1
161.09601	15.9
163.11273	5.6
164.13338	4.7
165.09071	4.7
166.13145	4.8
169.12300	5.8
171.11720	6.0
185.13387	5.2
245.19000	19.6
255.17433	5.2
263.20068	18.1
273.18414	34.8
274.18979	5.4
291.19489	76.7
292.19803	7.1
309.20578	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03935	7.4
55.01868	7.4
55.05510	15.2
57.03432	7.6
57.07067	1.9
57.43395	1.0
65.03912	2.5
67.05507	24.6
69.03436	6.3
69.07070	12.2
69.28772	2.6
69.29179	5.2
71.04984	5.6
79.05492	42.8
81.03417	15.9
81.07053	100.0
82.07388	1.2
83.04971	7.4
83.08611	6.9
85.02901	2.5
85.06542	4.6
90.29552	1.0
91.05478	20.1
93.07038	26.5
95.04967	9.6
95.08606	16.5
97.02876	5.7
97.06537	19.1
97.10165	7.1
99.08120	2.5
103.05463	1.3
105.07036	13.1
106.50808	1.0
107.04954	8.1
107.08575	11.4
109.06516	67.2
109.10139	6.3
110.06810	1.8
111.04395	1.8
111.08095	2.4
113.05989	1.4
115.05434	1.3
117.07010	6.4
119.04945	8.2
119.08575	10.5
120.04461	10.4
121.06509	4.0
121.10153	11.5
123.08071	9.4
123.11702	2.5
125.09625	8.0
127.07565	1.2
129.07007	4.3
131.08565	10.1
133.06514	1.4
133.10120	6.2
135.08043	10.7
135.11679	5.2
137.09641	3.4
139.11174	1.8
141.07050	1.5
143.08548	4.3
144.04756	8.7
145.06456	1.6
145.10085	4.9
147.04404	31.3
147.08066	3.1
147.11707	3.6
148.08856	2.5
149.09634	4.2
149.13246	2.1
152.06145	1.1
153.09073	1.5
157.06497	1.4
157.10098	2.5
159.08028	1.6
159.11729	3.5
161.09622	4.4
163.11192	4.3
165.05550	1.8
165.06917	1.1
165.09091	2.2
166.04980	8.3
167.08574	1.5
167.10646	2.5
169.10201	1.4
171.11703	2.6
173.02397	1.1
177.12741	3.1
178.21577	1.0
181.12245	1.3
185.13271	1.4
189.11269	5.1
193.12247	1.8
195.08110	2.0
195.13847	2.1
197.06117	1.8
199.14903	2.6
208.74431	1.1
213.05472	2.4
213.09099	2.7
217.15916	5.2
217.64645	1.2
219.13791	1.2
227.17822	1.2
232.18486	1.0
235.07352	1.2
241.08667	2.3
241.14186	1.1
245.18988	1.5
255.17470	2.6
263.20322	1.6
273.18448	12.7
283.17059	1.0
291.19513	34.1
292.19916	1.8
309.08820	3.2
309.11545	2.8
309.14551	9.1
309.20572	22.3
310.20877	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03945	14.1
55.01868	13.8
55.05510	23.0
56.41615	1.7
57.03438	25.4
57.07069	5.5
57.28933	1.8
65.03935	6.6
67.05505	63.7
68.05833	2.1
69.03427	15.4
69.07071	22.7
71.04995	14.0
79.05492	57.5
81.03422	30.8
81.07054	100.0
83.04986	15.1
83.08630	13.7
85.02905	5.8
85.06537	7.2
91.05480	59.3
93.07038	53.1
95.04961	18.4
95.08043	3.8
95.08606	43.1
97.02906	11.4
97.06532	39.8
97.10142	6.7
98.23413	5.9
99.04459	2.0
99.08092	11.0
103.05475	4.0
105.03425	2.0
105.07029	39.5
107.04959	17.1
107.08590	28.6
109.06515	55.7
109.10166	18.2
110.06826	2.6
111.04416	2.8
111.08089	5.4
113.05986	3.0
115.05447	3.7
117.07009	20.0
119.04932	17.0
119.08574	28.8
120.04469	27.1
121.06491	8.0
121.10155	18.7
122.02777	2.3
123.08070	16.0
123.11682	4.0
125.05923	3.8
125.09608	5.9
126.03732	2.1
127.07520	4.0
128.06184	4.2
129.07001	9.0
131.08566	24.4
133.06479	5.6
133.10117	24.4
135.08051	19.4
135.11717	12.0
137.09572	6.3
139.11185	2.6
141.06961	7.6
143.08539	9.3
144.04793	18.8
145.06448	9.3
145.10135	15.7
147.04410	66.7
147.08034	7.3
147.11661	6.7
148.04761	3.8
148.08827	6.4
149.06076	2.8
149.09598	6.0
149.13232	6.9
149.66795	2.1
151.11241	4.7
153.06943	2.9
153.09218	2.6
155.08549	2.8
157.10133	11.7
159.11661	11.6
161.09630	5.3
161.13210	3.9
163.11290	4.3
165.05539	2.3
166.04982	19.1
166.07645	2.2
167.08540	4.9
169.10146	5.5
171.11702	4.0
173.09604	2.5
173.13200	4.8
175.11232	4.7
177.12732	4.3
181.06541	2.9
183.08000	2.1
183.11757	3.8
185.13275	2.7
187.11214	6.1
189.12720	3.7
189.16377	3.3
195.08144	4.5
195.13770	2.9
197.13191	2.5
199.14810	5.2
211.07632	3.2
213.05429	7.0
213.09048	4.0
217.15877	11.0
219.13747	6.3
221.15390	4.4
223.07619	2.5
227.17989	3.3
235.16968	3.7
237.16417	2.7
239.10692	2.4
241.14433	3.4
245.18932	3.1
249.14853	2.8
255.17360	2.6
263.20093	3.3
265.12271	2.9
273.18436	20.1
291.19510	45.0
292.20053	3.6
309.09018	8.3
309.14508	19.6
309.20438	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	309.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.0
55.05515	12.0
57.03424	4.3
57.07071	4.6
65.03922	4.7
67.05505	24.9
69.07077	16.8
71.04980	2.3
79.05138	2.4
79.05493	28.7
81.03411	4.7
81.06638	3.7
81.07062	36.7
82.39846	2.6
83.04984	3.0
83.08607	7.1
91.05483	32.6
93.07043	56.8
94.07400	2.4
95.04373	2.8
95.04973	46.6
95.08038	4.0
95.08607	33.9
95.23070	2.6
97.06525	16.8
98.23378	5.5
99.55688	2.4
103.05457	4.0
105.07032	70.6
107.08586	33.0
109.06509	7.7
109.10149	18.3
110.10613	2.2
114.87838	2.4
117.07005	8.7
119.04910	2.7
119.07784	4.6
119.08582	57.6
121.06492	7.4
121.10145	83.9
121.11024	5.3
123.08029	6.9
123.11703	4.7
123.65001	2.3
125.09604	2.8
128.06201	7.0
129.06987	13.7
130.07816	5.1
131.08559	28.6
133.07568	4.3
133.10117	38.8
135.08051	6.3
135.11673	11.7
141.06978	6.1
142.07756	9.7
143.08546	27.3
144.09314	7.8
145.06471	2.6
145.10124	39.4
147.08032	4.5
147.11668	10.0
149.13274	2.7
155.08542	12.7
156.09322	11.0
157.10132	34.2
158.10812	4.7
159.08142	5.1
159.11693	36.7
161.09598	7.4
161.13264	8.0
165.07066	2.5
169.10118	22.3
170.10829	4.4
171.11688	20.1
173.09653	2.6
173.13254	15.5
175.11250	2.5
175.14853	6.8
179.08577	4.3
180.09227	3.1
181.10153	5.5
182.10847	4.4
183.11714	13.3
185.13228	10.2
187.11127	9.9
187.14854	12.2
189.16374	3.0
192.09274	4.8
193.10223	3.9
194.10925	4.7
195.11684	9.2
196.12495	3.6
197.13237	14.0
199.14803	12.2
201.16336	3.2
205.10075	4.1
206.10843	3.9
207.11674	8.1
209.13231	13.5
211.11391	2.8
211.14757	11.2
213.12730	3.2
213.16487	4.1
215.14285	2.9
220.12402	3.1
221.13293	6.6
223.14748	7.5
225.12801	4.2
225.16353	8.6
235.14789	9.8
239.17868	4.3
249.16428	3.5
249.88481	3.1
251.17973	3.1
253.15996	5.9
253.19543	5.2
265.19379	5.4
267.17520	3.2
267.20859	2.8
276.18692	2.7
281.22653	5.8
291.21017	17.2
309.22092	100.0
310.22363	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	309.2212
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03941	6.5
55.01864	4.8
55.05512	20.6
57.03436	6.4
57.07074	7.0
65.03969	3.6
67.05511	40.5
69.03418	2.9
69.07069	22.9
69.54494	15.7
71.04971	2.9
79.05491	30.9
79.31723	3.4
81.03425	6.2
81.07058	49.2
83.08610	7.7
89.92892	2.7
91.05486	52.3
91.30604	3.1
91.60603	3.2
93.07050	73.3
95.04977	63.7
95.08609	48.1
97.06522	28.6
98.23280	3.9
103.05493	6.8
104.46968	2.9
105.04512	4.1
105.07034	100.0
107.08598	43.2
109.06532	12.7
109.10152	23.0
115.05441	6.4
116.06285	3.7
117.07027	20.4
119.04963	4.5
119.08585	69.7
119.09449	3.5
120.04485	10.2
121.06496	13.1
121.10142	91.2
121.11018	4.8
123.08111	14.1
123.11720	10.5
128.06216	9.8
129.07054	17.4
130.07744	9.2
131.08572	39.2
133.10126	49.0
135.08087	2.9
135.11661	15.7
141.07013	8.2
142.07808	21.1
143.08580	29.2
144.04790	9.0
144.09340	8.7
145.10135	52.3
147.04405	7.1
147.08105	5.4
147.11711	12.2
149.09621	4.6
150.05302	3.2
153.06995	3.5
154.07811	3.2
155.08575	10.5
156.09354	9.4
157.10126	39.7
158.10924	4.0
159.08017	6.3
159.11713	49.8
161.09633	11.7
161.13263	7.8
166.05000	10.5
167.08505	5.6
168.09195	2.8
169.10135	14.6
170.10925	6.3
171.11731	18.9
172.12401	4.3
173.09633	4.5
173.13284	21.5
174.53285	3.1
175.14861	12.2
179.08583	5.2
181.10130	8.8
182.11008	3.3
183.11696	12.4
185.13220	7.1
187.11201	9.4
187.14836	27.1
192.09032	3.4
193.10202	5.9
195.11746	7.2
196.12529	5.1
197.13254	13.5
199.14803	11.5
201.16420	3.7
205.10179	5.6
209.13301	8.7
210.14169	3.6
211.14832	9.4
213.12714	3.1
213.16516	6.6
215.14413	3.7
220.12538	3.5
221.13329	6.1
223.14702	5.6
225.16367	4.0
235.14816	7.9
239.17982	4.1
241.15936	3.1
245.42102	3.2
247.14583	3.0
253.15898	7.6
253.19455	4.0
265.19565	5.9
281.22720	6.2
291.20978	8.6
309.09311	3.2
309.22055	70.7
310.22357	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	309.2212
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03935	5.9
55.01866	3.8
55.05507	13.8
57.03442	7.2
58.68385	3.3
63.98083	3.3
67.05508	30.2
69.07070	23.5
69.47554	14.7
70.62368	3.5
79.05497	29.8
81.07047	42.0
83.04970	4.2
83.08618	5.8
90.24584	3.6
91.05480	37.0
93.07047	73.0
95.04974	44.5
95.08622	37.7
97.06540	15.7
105.06377	6.9
105.07030	84.2
107.08598	29.9
109.06527	10.8
109.10123	18.3
115.05502	5.0
117.07036	17.4
119.08587	53.6
120.04477	5.5
121.06468	7.2
121.10146	100.0
123.08038	7.2
123.11733	7.3
128.06203	6.6
129.06993	12.1
130.07744	5.5
131.08560	28.3
131.69769	4.0
132.65195	3.2
133.10127	31.1
135.08095	6.4
135.11687	9.9
141.07014	5.0
142.07802	13.0
143.08548	22.7
144.04797	5.5
144.09381	7.9
145.06454	7.4
145.10124	43.1
147.04468	6.2
147.08031	6.1
147.11694	15.7
155.08551	12.4
156.09349	7.6
157.10141	31.4
158.10887	7.3
159.11688	31.1
161.09607	7.1
161.13245	3.9
166.05061	4.1
169.10120	19.7
170.10866	7.8
171.11678	18.4
173.09547	3.8
173.13286	15.0
179.08501	5.7
181.10155	10.4
182.10869	6.2
183.11716	11.2
184.12457	4.4
185.13280	12.5
187.11230	7.1
187.14810	14.1
193.10109	8.9
195.11743	12.4
196.12515	4.5
197.13275	13.8
199.14769	11.4
207.11655	6.5
209.13242	10.6
211.14867	8.2
215.14342	6.6
225.16422	5.4
235.14774	4.4
239.14517	4.0
239.17926	5.7
249.16377	5.2
253.15814	5.4
253.19458	4.2
265.19412	5.4
281.22601	5.4
291.00552	4.0
291.21011	7.5
309.15387	3.8
309.18787	6.6
309.22098	80.6
310.22446	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	309.2424
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03942	4.0
55.01879	8.0
55.05514	30.4
57.03439	7.1
57.07078	9.2
57.99763	1.4
63.75273	1.6
65.03930	3.6
67.05505	50.8
69.03419	3.2
69.05899	3.4
69.06302	11.0
69.07072	29.7
71.04978	4.3
71.08644	17.5
73.06558	2.0
73.12204	1.5
79.04731	1.4
79.05492	38.4
81.03409	3.6
81.07059	61.9
83.04984	13.0
83.08624	14.0
85.06541	6.3
85.10152	2.1
91.05476	28.6
93.07043	53.0
95.04980	27.7
95.08601	46.1
97.06547	12.4
97.10152	8.6
99.08112	12.4
105.07029	26.5
107.04967	3.2
107.08602	25.3
109.06509	7.2
109.10155	17.1
111.08079	6.8
111.11744	2.5
117.06999	6.5
119.08576	20.6
120.04470	7.0
121.06490	2.1
121.10146	19.1
123.08071	5.2
123.11717	8.2
125.09611	4.7
127.07537	2.3
129.07011	5.5
131.08568	7.5
133.10135	17.5
135.08029	2.7
135.11705	14.7
137.09599	4.2
137.13266	3.0
139.11183	8.0
143.08545	2.9
144.04781	4.7
145.10136	6.8
147.08051	4.0
147.11702	15.6
149.13249	9.6
151.11194	11.0
153.12770	3.8
157.10117	9.5
159.11713	4.9
161.09605	2.9
161.13261	11.9
163.11234	3.3
163.14828	3.6
165.12819	9.0
166.05070	2.6
167.14314	2.1
171.11713	6.7
173.13280	4.6
175.11212	7.0
175.14890	4.8
177.12764	2.5
179.14345	6.1
185.13280	2.4
193.12273	4.4
193.15900	2.1
199.14886	2.9
207.13812	3.2
211.13396	2.0
217.19630	3.3
221.15280	3.9
223.45761	1.8
231.21083	5.3
241.19536	5.6
249.22150	4.2
259.20621	9.1
277.21628	100.0
278.22070	5.6
291.23026	3.9
295.22644	2.2
309.24280	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.7
55.01867	7.9
55.05511	32.3
57.03440	9.7
57.07078	9.2
59.05006	1.9
60.00861	1.8
67.05505	53.8
69.03426	3.5
69.07066	35.3
69.47721	5.9
71.04988	7.0
71.08631	16.6
79.01839	1.8
79.05492	43.7
81.03410	5.1
81.06584	3.6
81.07056	63.5
82.07405	2.4
83.04980	17.2
83.08615	14.1
85.06556	7.0
91.05481	29.9
93.07042	55.2
94.07373	2.8
95.04977	25.4
95.08603	50.6
97.06530	14.8
97.10168	9.5
98.23320	3.4
99.08085	11.2
101.08747	1.7
105.05933	1.7
105.07036	27.7
107.04966	2.4
107.08604	26.1
109.06500	10.6
109.10155	19.5
111.08097	6.1
117.06997	5.4
119.08578	19.8
120.04450	6.8
121.10145	18.6
123.08071	6.1
123.11634	7.6
125.09589	3.2
129.07011	6.2
131.08580	9.2
133.06497	2.7
133.10115	22.5
135.11690	14.5
137.09625	6.7
137.13327	3.2
139.07521	2.3
139.11154	10.4
142.07803	1.8
143.08578	3.2
144.04802	3.8
145.10118	6.4
147.11682	16.3
149.09663	1.7
149.13231	9.0
151.11188	10.7
153.12750	4.2
153.99817	1.7
157.10152	10.0
159.11757	4.0
161.13249	10.4
163.11203	5.1
163.14784	3.2
165.12755	6.5
166.05020	4.3
171.11700	5.1
173.13284	4.6
175.11205	6.0
175.14806	4.5
177.12717	1.7
179.14267	2.8
185.13182	2.5
189.12793	2.8
193.12251	6.6
207.13878	2.2
217.19374	3.2
221.15340	7.8
231.21120	3.5
241.19534	5.4
249.22131	4.7
259.20596	11.7
277.21634	100.0
278.21957	6.3
283.80902	1.7
291.23114	3.6
309.24289	35.9
309.29630	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54560	2.0
52.28587	2.0
53.03944	2.6
55.01865	2.8
55.05543	2.3
56.96561	14.4
57.03436	10.9
61.02928	5.8
69.03430	20.1
69.98664	7.3
71.04997	5.1
73.02930	4.7
81.03424	7.6
81.12242	2.0
83.04989	7.1
85.02910	100.0
87.04506	3.1
91.03944	4.9
96.96745	1.8
97.02900	17.5
98.06066	3.3
98.97579	13.9
99.04472	4.0
106.14437	1.9
108.99783	2.3
109.02902	5.0
110.97585	4.9
112.99142	6.6
113.02366	24.1
113.06013	2.3
116.98602	3.3
126.05534	9.3
127.03920	12.4
128.98628	2.4
131.00220	3.8
131.03409	69.9
138.01825	3.9
140.07095	2.3
144.01906	2.2
145.04973	14.9
156.01839	3.1
158.99673	3.2
159.02345	2.1
160.03845	3.2
160.54060	3.3
161.04553	2.0
169.04489	10.6
169.54645	5.0
170.99747	3.2
174.03027	2.6
175.02754	3.3
177.00641	3.3
178.04965	14.7
178.55148	5.5
179.04926	2.0
189.00804	2.4
189.03447	5.8
199.04037	2.2
210.04001	8.8
210.54196	4.1
211.03943	2.2
219.01799	4.5
229.08171	2.4
237.02756	2.8
289.06888	2.4
307.32303	2.4
309.60297	2.8
310.07156	2.8
310.10687	4.7
311.07910	3.0
320.07840	2.2
322.11081	2.3
328.98605	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	310.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.5
55.01873	1.8
57.03445	8.0
57.24002	1.3
61.02928	5.6
69.03432	11.6
70.78873	1.6
70.79211	2.4
71.04999	2.8
73.02904	2.7
75.49780	1.5
81.03429	6.2
85.02909	100.0
86.03231	2.2
87.04429	1.4
91.03966	3.2
97.02906	14.3
98.97596	3.6
99.04459	2.8
109.02898	2.6
113.02363	21.2
115.23058	1.5
119.04906	1.9
120.05312	1.8
120.92146	1.6
127.03938	10.4
130.71036	1.5
131.03409	66.5
145.04965	13.8
147.04414	4.7
148.04784	11.1
163.06042	2.5
164.29945	1.4
220.06805	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	310.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03973	9.2
69.03427	100.0
69.84163	29.8
81.03418	65.2
83.04961	17.6
85.02908	27.9
95.04951	13.8
98.97604	23.1
99.04450	55.6
113.06013	11.7
126.00977	9.3
131.07104	7.7
198.03050	9.3
210.03076	23.0
219.03683	18.8
226.00359	9.4
243.08612	8.4
276.23825	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	310.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01874	1.8
55.05511	3.1
65.03916	1.1
65.87416	1.1
67.05504	5.9
69.03423	3.0
69.07065	7.9
70.90388	1.8
71.04983	1.6
72.50110	0.8
74.02420	1.1
77.34026	0.9
79.05483	3.1
81.03405	1.4
81.07059	10.4
85.02897	2.0
86.09704	100.0
87.10027	1.7
91.05480	8.8
92.05798	2.0
93.07044	17.6
95.04974	3.4
95.08602	13.7
97.02906	4.6
97.06510	1.9
98.03220	1.7
102.73020	0.9
105.07025	12.8
107.04917	1.2
107.08596	13.2
109.06524	8.1
109.10155	31.6
117.07014	1.0
118.50178	1.0
119.04942	6.7
119.08569	13.3
119.55244	0.9
120.04521	1.9
120.05302	4.9
120.08941	0.8
121.06486	2.2
121.10183	1.5
122.07335	1.0
123.08065	1.0
123.11707	14.1
128.10698	2.2
129.15495	1.1
131.08542	1.3
132.09187	1.5
132.10196	33.8
133.10123	59.5
134.10474	2.8
135.11688	7.7
137.09613	28.8
138.10017	1.2
143.08563	1.3
147.04408	20.1
148.04745	26.1
149.04854	1.0
151.11186	21.0
161.09630	13.2
179.00542	0.9
179.10674	73.0
180.10966	2.8
246.18509	7.4
264.19574	35.2
264.22318	2.1
265.19870	1.7
292.09085	1.5
292.19019	11.5
310.10306	1.6
310.16513	2.3
310.20129	48.1
311.12891	3.8
311.20361	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	310.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.9
55.01871	6.8
55.05511	21.2
56.05040	15.8
57.03442	4.8
57.07075	14.5
58.06595	4.0
62.62563	2.0
64.80981	1.6
65.03961	2.3
67.05506	45.2
69.03414	4.1
69.07074	36.7
69.94416	8.5
70.06588	13.5
71.05007	4.2
72.04520	4.4
79.05499	40.1
79.05961	2.0
80.05024	12.9
81.03423	5.8
81.07059	56.0
82.06584	4.5
83.04986	8.7
83.08627	10.3
85.06584	2.4
91.05489	31.5
93.05786	3.4
93.07050	32.6
94.06565	5.0
95.04968	11.6
95.08613	31.3
96.08160	4.6
97.06512	10.3
97.10186	4.5
98.09694	22.6
105.07040	28.1
107.04974	4.7
107.08592	25.3
108.08131	7.6
108.08977	1.9
109.06541	9.6
109.08926	1.9
109.10168	12.7
111.04454	9.7
111.08078	5.5
113.06038	2.7
117.07029	10.6
119.08575	22.8
120.08107	4.4
121.04826	2.4
121.06516	3.8
121.10128	10.8
121.80851	2.0
122.09680	9.8
123.08070	4.7
123.11717	5.5
124.11232	3.7
125.05975	2.3
126.09093	2.3
129.06990	9.5
131.08571	20.1
133.10143	18.8
134.09712	2.6
135.08076	3.9
135.11716	7.0
136.11211	3.0
137.09621	4.1
141.06973	2.3
142.07767	2.4
143.08578	8.8
145.10121	11.1
146.09612	4.0
146.98900	2.1
147.11707	16.1
148.11148	3.6
149.09625	4.4
149.13252	3.2
153.05493	7.2
155.08574	2.0
157.10129	8.0
158.09824	2.1
159.11711	7.2
160.11238	2.5
161.13289	4.5
163.11163	4.8
169.10175	2.8
171.11685	5.7
173.13254	11.2
174.12814	5.3
175.11261	2.8
175.14963	2.6
176.14301	4.0
179.14403	2.7
181.04962	2.7
181.12265	4.0
185.13364	2.1
186.12851	8.6
191.10669	4.9
194.15456	3.9
195.13870	3.1
196.62349	2.1
198.14880	6.2
199.14876	2.7
204.13826	17.7
209.11728	35.8
209.13553	3.0
212.14478	4.6
212.16466	8.7
222.14883	25.5
223.13170	2.1
226.15819	2.9
237.11197	30.5
238.15973	2.5
240.17500	6.4
252.17566	3.8
254.19005	2.7
255.12413	4.6
263.20108	3.7
263.28558	1.9
266.19101	2.5
272.20020	2.2
275.20016	13.6
280.20639	4.3
290.21271	4.8
292.22708	65.6
293.20697	4.1
310.25479	100.0
311.12820	2.5
311.25702	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	310.2529
Annotation	Holaromine
Peak:m/z	Relative Intensity
55.01858	1.2
55.05505	3.5
56.05043	1.5
57.03428	0.7
57.07076	4.1
65.03928	0.8
65.89355	0.7
66.24126	0.6
67.05505	7.4
69.07076	4.6
69.33910	0.6
69.86517	2.0
70.06590	6.9
73.08670	0.7
74.94866	0.8
79.05493	8.5
80.05003	1.9
81.07054	7.3
82.06590	0.9
83.04972	2.2
83.07369	2.0
83.08637	1.5
85.06543	1.0
91.05483	7.8
93.07053	7.2
94.06549	1.1
95.04978	0.8
95.08593	4.7
96.08151	3.8
97.06527	1.9
97.10174	1.2
98.09708	0.7
105.07033	9.6
107.08608	5.7
108.08110	2.3
109.02892	0.9
109.06534	1.6
109.10194	1.3
111.04454	3.2
117.07005	4.0
118.06555	1.1
119.08588	8.4
120.08111	1.8
121.10162	2.1
122.09681	7.5
122.10503	1.0
125.06007	0.9
128.06253	1.3
129.07005	5.9
130.52098	0.7
131.08562	8.6
133.09140	0.6
133.10110	4.0
134.09645	1.7
135.08038	1.1
135.11673	1.1
136.11226	1.5
137.05975	1.5
137.12018	1.9
138.06319	3.1
139.06520	2.7
140.06758	2.7
141.07048	2.2
142.07809	1.0
143.08551	6.7
144.09337	1.3
145.06546	0.8
145.10085	5.3
146.09653	3.0
147.11687	1.5
149.09583	1.1
149.13281	1.3
153.05476	2.7
155.08569	2.0
157.08896	1.0
157.10107	6.1
159.10435	1.0
159.11644	1.2
160.11235	1.8
161.13275	2.3
162.12779	1.6
163.11160	1.7
169.10152	1.3
171.11720	2.7
172.11179	1.2
173.13284	5.9
174.12746	4.7
175.14861	0.8
181.04980	1.1
181.12259	0.8
183.11740	0.9
184.11189	0.9
185.13293	2.0
186.12772	7.2
187.13434	0.8
188.14365	1.9
189.11269	1.0
191.10681	2.5
198.12709	1.6
199.14996	0.9
209.11760	13.2
209.13576	1.3
210.12703	0.9
212.14413	3.6
224.14375	2.3
226.15884	3.7
228.17459	2.0
235.14868	0.7
237.11188	12.1
238.15866	1.4
240.17459	4.3
241.18073	1.2
252.17543	2.6
254.19116	3.3
255.12296	2.6
255.19832	0.9
257.19153	0.7
266.18954	1.8
275.20123	2.3
280.20639	3.3
292.22733	4.4
308.23822	1.8
310.25302	100.0
311.25620	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	311.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
55.01875	8.5
55.05518	6.7
57.03438	10.2
57.07081	3.4
59.35191	0.5
61.74657	0.4
63.58978	0.5
65.03963	0.5
67.05508	16.3
68.99751	0.5
69.03426	1.7
69.07072	27.2
71.01344	0.5
71.04999	2.1
71.08625	1.1
73.06573	0.6
79.05497	21.3
80.05849	0.7
81.03441	2.8
81.07061	13.9
83.01340	3.2
83.04986	11.6
83.08616	2.9
85.02901	1.8
85.06543	2.1
87.08085	0.7
91.05481	9.9
93.07048	15.8
95.04961	4.3
95.08607	12.9
97.02893	0.8
97.06535	55.8
97.10188	1.3
98.06863	1.0
99.04469	1.2
99.08081	0.6
103.05457	0.9
105.04483	0.5
105.07030	5.3
106.85665	0.5
107.04978	2.2
107.07877	0.7
107.08594	9.5
109.02919	0.5
109.06519	4.0
109.10169	4.0
111.04440	2.3
111.08092	2.0
111.11728	0.7
115.05455	5.0
116.06264	1.1
117.07014	5.2
119.08591	4.8
121.06493	1.7
121.10144	9.7
123.04413	1.2
123.08079	4.5
123.11731	1.2
125.05996	1.4
125.09621	0.5
128.06227	1.9
129.03363	0.9
129.07016	5.3
130.07831	0.9
131.04980	0.6
131.07578	0.6
131.08574	13.1
133.06483	1.3
133.10091	2.5
135.08015	2.9
135.11705	3.0
137.05876	0.5
137.09628	1.3
139.07549	0.8
141.06989	24.1
142.07436	0.7
143.08641	0.9
144.05664	1.4
145.06482	1.7
145.10107	2.1
147.04434	1.1
147.11681	1.6
149.09647	0.9
149.13263	1.3
153.07092	1.0
153.09138	0.6
154.07835	0.9
155.08559	1.7
157.06511	3.3
157.10118	0.8
158.07281	2.3
159.04395	0.7
159.08052	2.3
159.11719	1.2
163.11137	0.8
163.14810	4.9
165.07034	1.5
166.07726	0.6
167.08572	1.9
168.05704	1.4
169.06506	11.2
169.07936	0.6
169.10147	1.3
170.07198	1.4
171.04437	1.4
171.08028	1.3
171.11624	0.6
173.05959	4.0
173.09692	0.8
173.13277	4.4
176.08498	0.7
176.82977	0.5
179.08511	0.8
181.06531	1.3
181.15872	13.1
182.07343	0.8
183.08043	1.6
183.11646	0.8
184.05164	0.5
185.05952	3.8
185.09663	0.6
185.13159	0.5
186.03148	0.8
186.06773	9.7
187.07541	11.6
188.08005	0.5
189.91846	0.5
191.14317	8.3
195.08115	1.0
196.08939	0.6
197.05981	7.9
197.09592	1.5
199.03960	1.0
199.07614	0.9
201.12781	0.7
204.07829	0.7
205.08592	0.9
209.09692	0.9
209.15387	3.6
210.07066	0.6
211.07539	2.0
211.11139	1.2
213.05522	2.8
213.09138	1.7
214.02914	0.8
214.06267	18.1
214.09790	1.3
215.07010	32.9
215.10706	4.9
216.07373	0.9
219.13820	0.6
223.11197	0.5
225.05510	3.8
225.09004	3.3
229.08702	0.6
237.09067	0.9
237.14915	2.4
238.06299	0.7
239.10609	1.3
241.08656	1.1
241.12068	0.6
255.10306	0.8
255.15952	6.5
257.08002	0.7
265.12155	0.9
267.10269	2.3
267.13843	4.1
269.08112	3.5
269.11063	0.5
283.13391	1.2
293.11816	1.2
311.12796	100.0
311.18451	16.5
312.13034	6.6
312.18909	0.8
312.25034	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.8
55.01880	4.1
55.05513	38.1
57.03445	11.5
57.07080	15.8
65.03953	3.9
67.05508	44.8
69.07071	70.0
70.74820	2.0
70.80008	5.1
71.04983	3.6
71.08629	4.1
76.99088	2.0
79.05499	29.1
81.03429	7.5
81.07059	49.7
83.04985	3.5
83.08625	23.1
88.07607	3.3
91.05481	37.9
93.07046	100.0
95.04971	74.0
95.08613	90.3
95.09243	3.2
96.08958	2.4
97.06542	33.3
97.10175	10.1
100.69164	2.7
105.04564	2.8
105.07031	71.3
107.08601	60.3
109.06511	16.1
109.10160	38.1
111.04508	3.4
111.08057	4.2
111.11734	3.4
115.05465	3.7
117.07018	14.4
119.08583	70.0
121.06503	20.1
121.10144	61.1
123.08085	17.4
123.11706	20.3
128.06242	5.1
129.07001	5.2
130.07826	4.3
131.08563	25.6
133.10135	47.8
135.04405	3.6
135.08061	14.9
135.11688	21.4
135.41940	2.3
137.09605	5.6
137.13275	4.9
141.07004	2.5
142.07796	8.4
143.08559	17.5
144.09326	4.4
144.13878	2.7
145.06519	2.3
145.10124	41.7
147.08051	3.5
147.11671	20.3
149.09644	5.3
149.13272	7.5
155.08554	6.0
156.09328	7.1
157.10139	26.9
159.08121	2.7
159.11711	47.6
161.08430	2.2
161.09590	12.2
161.13246	13.0
163.11200	5.2
167.08652	3.1
169.10144	12.0
171.11697	14.1
173.09651	3.2
173.13229	12.4
175.14786	16.4
177.16380	19.8
179.08536	2.8
181.10149	6.6
182.10945	2.5
183.11690	9.5
185.13286	10.2
187.11209	8.3
187.14825	6.5
189.16402	19.6
195.11745	4.8
196.12463	3.1
197.13295	11.4
199.14862	8.0
201.16350	13.9
203.17975	4.3
209.11632	12.9
209.13307	5.6
211.14790	10.9
213.16414	6.9
215.18027	6.8
219.17490	5.7
219.21132	2.5
223.14850	6.4
225.16386	4.0
227.17920	3.3
229.15912	2.5
237.11198	15.2
237.16431	6.2
243.21182	3.1
255.12277	2.6
255.17311	3.0
255.21069	6.7
267.21127	6.5
283.24313	2.2
293.22620	9.1
311.23679	37.0
311.26260	13.9
312.23871	4.3
312.32617	20.2
312.36099	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2368
Annotation	14'-apo-beta-Carotenal
Peak:m/z	Relative Intensity
53.03949	7.0
55.01867	3.4
55.05510	30.7
56.46441	1.7
57.03419	10.7
57.07068	13.5
59.04996	2.1
65.03939	4.2
67.05505	37.8
69.07069	65.8
70.78101	3.8
71.05000	4.5
71.08640	5.5
77.03923	2.6
79.05490	25.9
81.03423	7.2
81.07052	43.0
83.08614	24.0
86.05199	2.2
91.05482	46.3
93.07046	100.0
95.04366	4.1
95.04968	69.6
95.08604	83.7
97.06532	28.9
97.10162	8.1
105.04557	2.7
105.07032	68.9
107.08590	53.4
108.08905	2.7
109.06522	14.4
109.10154	38.6
111.11729	2.4
115.05438	6.8
117.07014	18.7
119.08578	66.0
121.06513	20.0
121.10139	60.1
123.08064	17.6
123.11698	17.4
128.06180	4.2
129.07010	5.9
130.07784	5.1
131.08559	22.1
133.06427	2.5
133.10139	40.8
135.08046	13.9
135.11708	20.1
137.09601	5.0
137.13269	5.3
141.07066	2.4
142.07800	9.9
143.08607	15.1
144.09319	5.0
145.10126	41.2
147.08026	2.2
147.11691	19.7
149.09631	5.1
149.13261	8.3
155.08565	3.7
156.09381	7.1
157.10126	25.8
159.08110	3.3
159.11681	48.1
160.12117	2.7
161.09619	8.4
161.13251	15.0
163.11186	4.4
163.14844	4.5
167.08636	3.7
169.10124	11.3
170.10831	2.1
171.11696	18.9
172.12515	2.0
173.13243	17.0
175.14861	11.1
177.16388	18.0
181.10233	5.2
183.11749	8.1
185.13177	11.5
186.14146	2.3
187.11206	8.3
187.14815	6.0
189.16400	13.9
193.10208	3.1
195.11717	5.8
197.13301	8.5
199.14828	7.2
201.16418	8.5
203.17957	3.8
207.11763	2.4
209.11627	4.3
209.13338	5.0
211.14867	5.7
213.16379	4.9
215.17998	6.8
219.17545	6.2
223.14812	7.4
225.16327	4.6
227.17992	3.9
237.11325	4.1
237.16386	5.6
241.15837	3.0
241.19588	2.5
255.17415	3.9
255.21124	6.7
267.21130	3.0
293.22687	6.9
311.23276	38.5
312.24026	2.6
326.12216	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	311.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01869	3.8
55.05512	82.9
56.05840	1.6
57.03162	1.6
57.03439	29.6
57.06797	2.0
57.07075	37.6
60.39283	1.0
67.05177	1.3
67.05505	11.5
69.07068	81.5
69.12008	8.3
70.07391	1.6
71.04967	1.3
71.06732	1.1
71.08629	20.2
73.06525	1.4
77.38398	1.1
79.05494	9.2
81.07058	15.4
81.94362	1.2
83.04986	2.9
83.08617	65.9
84.09002	1.3
85.10179	8.4
91.05487	1.3
93.07043	10.3
94.97504	0.9
95.08606	9.6
97.06541	8.0
97.10172	51.8
107.08578	7.1
109.10157	4.4
111.08080	2.8
111.11724	14.8
121.10144	9.8
123.11665	1.8
125.09578	2.8
125.13268	3.5
135.11703	8.8
137.13187	1.3
139.11209	2.2
149.13274	3.3
209.11859	2.5
219.21132	2.6
237.11266	2.9
237.22240	1.8
298.38367	1.0
311.25793	100.0
312.26019	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.01872	1.8
55.05515	70.3
56.05851	1.6
57.03442	25.6
57.07080	33.5
62.17215	0.8
67.05510	10.2
69.07071	75.9
70.07395	1.0
70.54073	1.7
70.54434	1.6
71.04982	1.5
71.08636	18.0
73.02896	1.7
73.06574	1.1
75.95625	0.9
79.05507	6.8
81.07064	14.7
83.04982	2.0
83.08623	64.2
84.08978	1.0
85.10193	7.5
93.07047	8.5
95.08607	11.8
97.06544	6.6
97.10174	44.6
107.08601	5.8
109.10135	4.0
111.08081	2.7
111.11716	14.2
121.10159	7.9
123.11712	2.8
125.09645	2.5
125.13268	2.7
135.11716	5.4
137.13242	1.7
139.11166	1.6
149.13271	3.5
153.12720	1.3
161.09613	0.9
163.14845	2.3
163.98387	0.8
177.16447	1.0
209.11804	2.3
219.21043	2.1
237.11195	2.9
242.70966	1.0
311.25806	100.0
312.26221	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	311.2577
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
51.51579	3.5
53.03939	4.6
54.65668	2.6
55.05513	94.6
57.03438	35.6
57.07076	45.9
58.48064	2.5
61.87475	2.5
65.89281	3.0
67.05502	18.4
69.07069	95.1
70.27824	2.7
71.08633	24.7
79.05501	11.9
81.07059	24.8
82.07811	2.5
83.08617	80.2
85.10181	9.1
93.07044	15.7
95.08617	17.6
97.06540	10.1
97.10172	50.3
105.07080	3.0
105.72108	2.5
107.08588	9.6
109.10149	4.8
111.04398	3.7
111.08074	4.4
111.11737	15.0
121.10155	13.0
123.11696	5.3
125.09630	4.2
132.01801	2.4
135.04425	4.2
135.11705	7.9
149.13190	2.8
161.09592	3.7
169.78128	2.8
196.55583	2.9
209.11754	11.2
237.11128	4.6
284.14978	3.2
286.17688	2.8
311.13794	3.8
311.25803	100.0
312.15247	3.6
312.26169	7.9
312.36044	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	311.2581
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03949	1.1
55.01870	1.5
55.05515	64.3
56.05839	1.0
56.28963	0.8
57.03442	24.9
57.06799	1.8
57.07079	33.8
58.07408	0.9
67.05508	9.5
69.07072	70.6
69.13622	7.5
70.07413	0.9
71.08638	19.4
73.02918	1.3
79.05491	6.1
81.07056	12.3
83.04959	1.8
83.08622	61.2
84.08936	1.4
84.28740	0.8
85.06554	1.1
85.10192	8.4
91.05463	0.9
93.07045	9.0
95.08622	9.5
97.03917	0.7
97.06539	5.4
97.10173	42.9
98.10479	1.2
107.08610	5.2
109.10146	3.1
111.08084	3.3
111.11719	12.0
121.10146	7.8
123.11730	2.6
125.09655	2.5
125.13288	2.4
135.11703	6.6
137.13293	1.5
139.11209	2.3
149.13229	2.6
163.14824	1.0
167.14378	1.0
214.00665	0.8
219.21115	1.4
237.11130	1.1
287.07422	0.8
311.25803	100.0
312.26151	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	311.2577
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
52.63033	0.7
52.80086	0.6
52.86235	0.6
53.03923	1.0
55.01872	5.1
55.02565	0.6
55.05511	41.2
56.05852	0.6
56.16916	0.6
57.03162	1.1
57.03437	22.1
57.07075	17.3
59.75457	0.5
65.03929	0.9
67.05135	1.1
67.05505	25.5
69.07067	50.5
70.07394	1.0
71.04981	1.6
71.08636	7.9
73.02916	7.7
73.06568	0.8
79.05070	0.9
79.05493	13.7
81.07056	33.1
83.04974	1.5
83.08617	34.9
84.08932	0.8
85.06543	1.9
85.10189	3.8
91.05491	2.9
93.06468	1.1
93.07044	16.6
95.04948	0.8
95.08605	25.8
97.06531	6.8
97.10167	18.4
99.08106	1.9
101.05999	0.7
105.04488	0.7
107.08600	11.4
109.10158	9.1
111.04451	1.1
111.08082	5.0
111.11734	5.1
113.09682	1.0
119.08578	0.8
121.06413	0.6
121.10140	15.7
123.11710	6.3
125.09590	2.9
125.13220	0.9
129.05495	0.8
135.04416	1.6
135.11682	10.7
137.13251	3.7
139.11177	2.1
149.13240	5.2
152.51714	0.6
153.05429	0.9
153.12677	1.1
161.09575	0.9
163.14819	2.4
165.15114	0.6
167.14346	0.6
169.10239	0.6
173.13239	0.8
177.16434	1.2
191.10788	0.6
198.64334	0.7
209.11732	4.1
219.21112	4.7
237.11185	3.8
237.22090	4.7
255.23169	1.0
261.65649	0.6
311.25790	100.0
312.26205	6.2
312.36237	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2579
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
52.40437	0.8
53.03961	2.2
54.14640	0.8
55.05513	55.6
57.03438	27.2
57.07077	29.2
59.04973	0.9
67.05173	1.7
67.05502	16.0
69.03419	1.0
69.07067	71.8
70.07407	1.5
71.05010	2.1
71.08633	15.7
76.87827	0.9
79.05492	10.4
80.08720	0.9
81.07067	20.7
83.04977	2.2
83.08620	56.6
84.08939	1.0
85.02898	1.0
85.10188	7.1
89.11518	0.9
91.05494	2.8
92.67426	0.8
93.07047	13.8
95.04967	1.1
95.08605	17.4
97.06538	7.5
97.10169	36.8
99.08096	1.8
105.07007	2.0
107.08604	9.0
109.10133	6.4
111.04462	2.6
111.08079	3.7
111.11721	11.9
115.98722	0.8
117.07023	0.9
119.08601	2.0
121.10152	12.4
123.11700	2.6
125.09633	1.5
125.13277	2.0
133.10135	1.1
135.04417	3.7
135.11676	8.4
137.13252	1.6
139.11168	1.7
145.10123	1.0
149.13264	5.6
153.05482	2.5
153.12680	0.9
154.06873	0.9
161.09592	1.7
163.14786	2.2
169.13339	1.1
177.16345	1.4
181.04935	1.6
191.10591	1.4
209.11685	12.0
209.13528	1.0
219.21111	3.5
237.11198	12.7
237.22212	2.4
255.12286	3.2
311.25809	100.0
312.15479	1.4
312.26242	5.1
312.36234	2.8
326.18524	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.5
56.52600	1.9
57.03443	41.4
60.04550	2.5
61.02934	14.7
69.03427	31.7
69.14197	6.4
69.14606	10.7
71.01357	4.9
73.02921	100.0
81.03417	4.6
85.02911	46.5
87.04481	4.3
91.05505	2.5
95.08583	2.3
97.02900	54.5
99.04466	3.0
103.03930	3.5
109.02962	2.6
115.03940	63.0
120.05310	3.6
123.04456	2.2
127.03920	16.2
132.06583	3.6
133.04967	25.0
137.05992	2.6
138.06276	3.5
145.04980	17.0
148.04784	6.6
150.07614	7.0
163.06046	7.7
180.08682	10.9
180.10075	2.5
191.08237	2.2
192.08853	4.1
193.04927	2.7
217.07077	2.5
219.07990	2.2
220.08371	3.9
222.68712	1.9
223.05963	3.2
241.07103	10.1
246.13391	2.2
252.11079	6.0
252.50409	2.1
259.08163	5.1
277.08902	2.0
280.10522	4.7
295.10327	7.4
312.09760	2.6
312.12918	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49108	2.1
55.01874	4.0
57.03431	7.0
61.02932	9.6
69.03437	15.3
69.06749	2.3
69.07067	15.1
69.16741	2.1
70.89626	3.0
73.02915	5.6
81.03424	5.4
85.02909	100.0
87.08114	8.1
91.03970	5.8
97.02893	28.5
109.02882	7.5
127.03928	20.4
132.08095	4.2
133.08665	4.0
134.09706	4.9
145.04948	40.3
163.06071	11.8
176.03528	3.1
180.10016	3.6
265.67831	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	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05280	0.8
55.05513	8.7
57.03168	1.2
57.03439	24.0
57.07077	68.3
58.07398	0.7
59.05004	0.7
67.05505	13.7
69.06745	0.8
69.07073	13.1
71.08633	44.3
72.08966	0.5
72.80112	0.5
75.04449	0.7
79.05478	1.1
81.06593	0.9
81.07062	19.1
83.08621	14.7
85.06548	1.6
85.10184	23.0
86.10457	0.7
89.06036	4.1
93.07046	1.4
95.08609	24.6
96.08943	1.0
97.10179	7.4
99.11716	1.6
100.05704	0.6
103.07568	2.6
107.08588	1.4
109.10155	11.7
111.11755	1.3
113.13367	0.7
117.09165	0.8
118.52299	0.6
123.11724	4.8
125.09662	0.9
125.13270	1.1
127.14844	0.6
132.35429	0.6
137.13237	2.5
151.14932	0.7
221.22701	1.4
239.05104	0.7
239.23698	4.1
257.24780	7.2
313.27359	100.0
314.27658	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	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.05509	9.1
56.27059	0.6
57.03162	1.4
57.03438	24.9
57.07075	70.3
58.07409	1.0
67.05504	13.9
69.07069	13.2
70.53679	1.4
71.04993	0.6
71.08629	46.8
75.04460	1.1
79.05495	1.7
81.06583	1.4
81.07050	20.3
82.07363	0.6
83.08617	15.7
85.06537	1.0
85.10181	25.1
87.04453	0.7
89.06017	3.5
93.07037	2.0
93.26945	0.6
95.08602	26.1
97.06505	1.3
97.10166	6.8
99.08141	0.8
99.11725	2.3
103.07586	3.4
107.08620	0.7
109.10157	12.9
109.10896	0.8
111.11715	1.8
117.09111	1.3
121.10178	1.3
123.11689	5.4
124.06638	0.7
125.13276	1.4
127.14792	0.8
137.13251	1.9
139.11214	0.7
151.14783	1.1
165.16406	0.7
173.71346	0.7
187.17041	0.7
221.22792	0.8
237.21764	0.7
239.23712	4.4
257.24710	7.4
258.25177	0.8
313.27347	100.0
314.27692	9.5
328.66846	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	10.9
57.03164	1.4
57.03440	25.4
57.07078	78.8
59.05000	0.9
61.26626	0.7
61.79004	0.8
61.80410	0.7
65.08740	0.9
67.05507	13.2
69.07071	14.4
69.74937	2.0
69.75290	1.5
70.99018	0.8
71.08632	44.5
75.04488	1.7
79.05481	1.3
81.07062	20.3
83.08626	15.1
85.06541	0.9
85.10184	25.6
89.06045	4.7
90.82510	0.8
93.07056	1.4
95.08606	27.3
97.10173	7.4
99.11726	2.2
103.07578	3.0
107.08614	0.9
109.10150	13.4
111.11761	2.0
121.10140	1.0
123.11720	5.7
125.13293	1.2
137.13248	2.3
159.13782	1.1
173.15385	0.9
173.71379	0.9
221.22774	1.3
239.23650	5.4
257.24759	8.3
261.26508	1.0
313.27365	100.0
314.27652	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	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	0.7
55.05513	8.8
57.03162	1.0
57.03443	22.9
57.07079	73.2
58.07402	1.2
62.42508	0.8
67.05180	1.3
67.05508	13.0
69.07072	10.8
70.64771	1.0
71.04980	1.0
71.08635	46.2
71.28716	0.7
79.05494	1.4
81.07056	18.8
83.08619	13.5
85.10184	25.5
89.06035	3.7
93.07025	1.2
95.08610	28.1
97.10163	6.9
99.11728	1.8
103.07592	2.4
109.10165	12.6
111.11713	1.5
115.09905	0.7
115.12696	0.7
117.09127	1.2
123.11717	5.1
137.13300	2.0
173.71320	0.9
221.22551	0.7
239.23697	4.5
257.24805	7.4
313.27365	100.0
314.27631	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05280	0.8
55.05519	7.2
57.03162	1.0
57.03442	19.8
57.07079	60.1
58.07408	1.6
59.04993	0.9
63.84059	0.8
67.05511	12.2
69.07063	11.4
71.04970	0.8
71.08634	39.1
72.08976	0.7
78.69336	0.8
79.05482	1.3
81.07056	14.8
83.08154	1.0
83.08620	11.3
85.10186	21.5
86.10455	0.9
89.06037	2.5
90.63058	0.8
93.07043	1.8
93.14310	0.7
95.08607	21.6
97.10154	6.9
99.11746	1.7
103.07574	2.6
109.10168	12.8
111.08140	0.8
111.11739	2.0
117.09157	0.9
123.11703	5.7
137.13252	1.7
174.96925	0.8
239.23631	4.4
257.24783	6.4
313.27365	100.0
313.32803	25.0
314.27664	9.0
319.26935	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.4
61.01162	1.0
69.03426	2.0
70.06565	0.2
70.77620	0.4
75.02728	0.4
85.02891	0.3
86.99069	0.5
87.02711	0.4
94.04036	0.4
97.02891	51.3
98.03210	0.7
102.01366	0.3
109.05147	0.2
110.06047	0.3
113.02377	0.3
115.02135	0.4
119.01640	0.3
119.03532	0.8
120.08092	0.3
125.96867	0.2
132.08026	0.3
134.09637	0.2
135.05383	0.5
136.06181	100.0
137.04671	0.4
137.06638	1.9
137.58067	0.2
138.09132	0.4
143.01633	2.5
148.06154	1.2
149.06955	0.3
150.07523	0.2
161.02676	1.6
162.07761	0.7
164.05682	7.3
165.06079	0.2
166.07126	0.2
178.07227	3.3
179.03731	2.4
182.11830	0.5
183.60980	0.2
206.06740	0.2
208.08295	0.2
220.08243	0.3
232.08287	0.3
235.96124	0.2
248.07794	1.2
250.09361	0.7
278.07050	0.8
296.08148	3.8
297.08627	0.3
314.09143	8.4
314.12164	0.3
315.09802	0.6
315.14075	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.00669	0.7
55.01871	0.8
57.03447	0.9
59.39140	0.8
61.02928	1.3
65.03934	0.9
69.03436	3.0
70.27479	2.0
78.00463	0.7
79.05478	0.8
81.03428	1.4
85.02904	13.0
86.03239	1.3
87.03288	0.9
91.03947	1.3
92.05014	2.0
93.03405	1.3
97.02876	4.4
103.03958	1.0
109.02869	1.6
110.06046	100.0
111.06405	2.3
112.07614	0.8
123.04442	1.3
123.15393	0.7
125.92057	0.7
127.03933	2.1
136.06203	0.8
140.07022	3.7
145.04987	1.4
147.05435	1.0
152.07071	60.6
153.07390	0.9
166.08636	1.4
172.09668	0.8
182.11826	0.9
185.68416	0.7
267.70447	0.8
314.15964	2.6
315.14001	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98463	0.7
57.03444	0.7
61.02925	2.4
62.21172	0.9
65.03926	1.3
69.03419	4.1
70.25424	1.8
81.03423	1.4
85.02906	9.7
87.04460	1.3
89.06064	0.9
92.05007	2.3
93.03446	1.7
97.02888	3.3
103.03939	1.3
110.06042	100.0
111.06384	1.5
113.21028	0.8
123.19745	0.7
127.03943	2.3
142.45189	0.8
145.04965	1.1
152.07068	60.2
153.07359	1.8
153.82794	0.8
182.35031	0.8
191.72604	0.8
314.19501	1.1
315.14102	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0476
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94586	3.1
56.96573	7.9
62.06805	2.9
69.03428	5.7
69.66570	14.5
80.90607	3.3
84.96054	5.3
85.02913	9.4
97.02928	4.8
98.97602	17.8
110.97595	9.6
113.06050	5.6
116.98642	5.6
124.99135	4.2
127.04018	4.7
135.09163	5.4
152.98622	4.5
158.99661	4.7
160.03893	7.6
168.03641	4.3
169.04428	14.9
169.94009	3.4
170.99736	6.3
175.02786	4.3
219.01805	11.0
237.02802	9.7
253.73712	3.3
315.04669	100.0
337.08081	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	315.0511
Annotation	Wedelolactone
Peak:m/z	Relative Intensity
51.91505	0.3
56.96571	2.4
61.02949	0.4
65.52331	0.3
69.03433	2.1
70.06592	1.1
71.07838	0.3
71.28958	0.4
72.87608	0.3
81.03430	0.9
83.05017	0.7
84.04509	0.4
84.08184	0.4
84.96026	0.5
85.02924	2.1
87.04469	0.6
95.06105	2.8
97.02889	1.0
98.97592	2.6
116.98640	1.2
118.91492	0.4
119.01930	0.4
126.05528	0.4
127.03975	0.5
128.98592	0.3
134.99652	0.7
135.09221	0.9
140.07169	0.4
151.87959	0.4
152.99823	15.9
153.05307	1.0
158.99690	0.5
171.06586	0.4
171.71442	0.4
185.01424	0.4
185.04221	3.6
193.13480	0.4
203.05286	1.0
211.14423	1.6
212.14722	0.4
219.01884	0.4
232.96657	0.5
237.02852	0.5
247.10774	0.6
265.11874	0.5
270.21814	0.9
273.15005	0.4
274.97641	0.7
315.05112	100.0
315.10538	49.1
316.05402	3.9
316.10553	1.9
333.08603	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1066
Annotation	Cynanoneside A
Peak:m/z	Relative Intensity
53.03944	4.2
55.01879	9.1
55.05515	10.8
55.16789	1.0
56.96567	2.0
57.03418	2.7
57.07083	2.8
67.05505	16.8
68.99782	4.7
69.03082	2.0
69.03427	23.1
69.07062	4.8
70.06596	10.7
70.90195	2.8
71.01354	3.4
71.04985	3.8
73.02924	1.2
79.05491	9.8
79.51373	1.1
81.03421	19.9
81.07049	12.3
83.04979	24.3
83.05468	2.0
85.02911	22.4
85.06548	10.9
85.64777	1.1
87.00821	8.2
91.05485	12.8
93.03352	1.4
93.07065	10.1
95.04977	9.9
95.08620	4.8
97.02893	5.9
97.06532	16.3
98.97585	1.9
99.04482	4.3
105.01889	1.3
105.07016	6.2
107.04946	7.7
109.02876	5.0
109.06509	8.5
111.04457	15.3
111.08073	1.3
112.08749	3.3
113.06002	16.8
116.98641	1.8
117.07020	3.3
119.08598	7.1
121.06489	6.8
123.04450	6.8
123.08061	6.0
125.05983	4.0
127.03907	7.5
129.01834	1.9
129.07056	2.3
132.26573	1.2
133.06508	5.2
135.08067	3.0
137.05975	4.3
139.07535	4.9
145.04941	2.0
145.06493	3.6
147.08073	8.7
147.88028	1.1
148.07579	2.2
149.06033	4.4
151.07588	3.8
153.05226	33.0
154.08542	1.4
155.07053	2.4
159.02980	2.1
163.07607	5.7
165.09087	8.8
167.07059	1.5
171.06577	1.4
175.07512	7.1
185.04216	5.9
189.03938	1.7
193.08623	19.9
199.45107	1.2
203.05299	2.1
211.09631	8.4
270.07343	1.2
279.08691	1.5
283.14194	1.9
297.09555	6.9
315.10507	100.0
316.10861	2.7
334.16656	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
56.96561	0.5
66.35482	0.4
69.03410	0.6
69.07060	0.4
70.06574	0.9
70.55457	0.8
79.05489	0.8
80.05008	0.4
81.03423	0.5
83.04990	0.6
85.02921	1.4
87.04510	0.5
91.05463	0.9
93.05787	0.4
94.06576	0.7
95.05000	0.5
97.02905	0.4
98.97598	0.8
107.04958	0.5
108.08149	0.7
109.82539	0.4
111.06810	0.8
116.98582	0.4
120.95374	0.4
123.04449	0.9
124.07613	0.7
127.03886	0.4
130.06511	0.4
135.04414	0.5
135.09146	0.4
136.07620	0.6
138.09137	1.5
146.93718	0.4
147.04440	0.8
153.05464	1.1
155.09355	0.9
170.08220	0.6
172.09673	4.8
183.04771	0.8
207.66371	0.4
287.10202	0.4
315.14127	100.0
316.14380	4.4
316.17590	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	315.18
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75913	3.4
53.03950	10.6
53.24985	3.4
55.01860	18.6
55.05514	42.7
55.70499	3.4
56.55982	3.2
57.03444	44.6
57.07079	26.7
58.07409	10.0
59.04996	11.7
64.56414	4.0
67.05505	63.7
69.03441	4.1
69.07066	14.1
70.11017	3.1
71.01350	8.2
71.02254	5.5
71.04995	17.6
71.08636	23.0
72.08955	7.0
74.33225	3.2
79.05498	83.2
81.02985	6.2
81.03418	72.9
81.07053	60.9
82.07410	5.5
83.01334	10.6
83.04982	41.0
83.08617	22.1
85.02906	27.6
85.06521	7.6
85.10188	8.6
87.04483	5.1
91.05477	58.7
93.07042	88.8
95.04958	25.0
95.08611	38.0
97.02897	20.8
97.06528	24.0
97.10192	3.8
105.07036	30.4
107.04962	27.2
107.08582	47.2
109.06543	18.2
109.10150	13.9
111.04438	46.2
111.08067	5.7
117.07019	26.7
119.08588	36.4
121.06530	17.4
121.10139	30.1
123.04443	5.8
123.08053	21.3
125.05993	15.3
129.06975	5.4
130.07779	3.8
131.08562	20.6
135.08084	8.6
135.11707	37.7
137.09641	11.2
144.67831	3.8
145.10127	52.3
147.08043	15.9
149.09628	7.4
153.11694	4.7
153.12723	24.7
155.08574	3.7
163.11185	100.0
164.11491	4.2
165.71071	4.0
173.09587	24.2
181.12173	21.9
191.10635	21.3
201.00908	3.4
209.11726	63.3
216.46808	3.7
223.13298	61.6
227.12682	19.4
241.14366	45.6
283.15424	10.7
314.27802	11.5
314.33246	47.4
315.17950	61.2
315.28036	23.2
315.33609	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	315.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09414	6.9
55.01868	25.0
55.05524	51.2
57.03442	26.4
57.07100	8.7
59.04996	8.5
61.02927	12.2
67.05527	14.2
69.01285	11.2
69.01687	50.4
69.03441	40.0
69.07085	22.4
71.01392	9.8
71.04997	52.3
73.02917	23.1
79.05502	22.0
80.91670	6.6
81.03436	21.5
81.07072	28.8
83.04972	7.0
83.53847	5.7
84.96571	6.3
85.02908	67.4
87.04495	8.8
91.05490	39.1
93.07034	48.8
95.04974	13.5
95.08608	15.7
97.02884	17.9
98.06053	10.9
98.22640	17.3
99.06395	8.6
103.03944	14.7
105.07042	60.9
107.04998	10.1
107.08588	63.1
109.02866	9.9
109.06522	40.9
109.10184	24.5
111.04423	7.0
115.03938	18.9
117.07028	19.4
119.08582	58.6
121.06575	11.7
121.10120	10.3
123.04411	7.5
123.08062	33.2
123.11704	9.0
128.06232	8.5
129.05507	7.5
129.07011	8.2
131.08577	27.6
133.04980	36.2
133.06497	13.6
133.10187	8.5
135.08112	10.5
135.09164	13.8
135.11746	21.4
137.05891	7.9
137.09637	16.0
143.08569	12.1
144.32112	7.2
145.10168	30.0
145.80034	6.8
147.08063	27.9
147.11699	11.4
149.09610	16.7
151.11188	13.8
153.12711	15.5
159.08047	12.0
163.11232	15.2
165.12766	100.0
173.09650	24.5
177.12747	23.5
182.11803	17.8
183.12079	31.7
189.12729	15.2
201.12767	8.3
219.13785	12.9
229.12727	12.1
231.13841	10.8
261.14828	15.4
279.15927	18.6
297.17029	9.3
315.10733	15.3
315.14044	21.7
315.17899	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	315.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37439	3.3
53.03960	6.6
55.01873	26.6
55.05512	32.7
57.03448	34.9
59.05010	9.8
61.02929	12.5
62.40783	3.5
65.03917	3.7
67.05521	19.9
69.03437	41.6
69.07071	32.9
71.01362	7.5
71.04608	4.9
71.04998	95.7
73.02928	25.3
73.06538	4.7
76.23048	2.9
77.11802	2.7
77.76866	2.7
79.05495	30.6
81.03422	21.0
81.07061	41.7
83.04987	13.3
83.08629	6.1
85.02912	79.4
87.04465	5.7
87.72059	3.1
89.06069	3.9
91.05485	52.5
93.07044	60.7
95.04948	18.4
95.08607	34.9
97.02909	27.0
97.06541	13.2
99.04478	3.7
101.02389	4.5
103.03952	19.6
103.05457	4.6
105.07039	100.0
107.04967	13.7
107.08595	60.2
109.02917	6.5
109.06525	33.1
109.10172	18.9
111.04441	11.1
111.08102	9.9
113.95090	3.0
113.97186	2.7
115.03906	14.7
115.05472	9.2
117.07022	27.4
119.08582	91.2
119.26968	2.9
121.06535	23.3
121.10131	19.4
123.04404	4.7
123.08056	32.8
123.11736	7.8
125.09615	4.6
125.13231	4.4
127.03928	6.9
128.06223	11.8
129.05499	9.9
129.07008	17.0
130.07829	8.1
131.04895	3.9
131.08585	57.0
133.04993	21.7
133.06493	11.9
133.10139	20.8
135.08084	15.9
135.11716	24.3
137.06012	5.4
137.09630	21.4
137.13223	4.2
139.07605	4.4
139.11212	8.0
141.06969	3.6
143.08551	35.7
144.05664	3.4
144.09215	3.2
145.04990	4.5
145.06491	9.5
145.10135	37.4
147.08057	79.7
147.11708	20.4
149.09622	18.4
151.07664	5.1
151.11182	15.5
153.12732	19.6
155.08548	13.7
156.09398	4.7
157.06528	3.9
157.10133	8.5
159.08044	25.9
159.11717	21.2
161.09624	13.6
161.13284	8.3
163.11188	30.7
164.07088	8.4
165.12764	67.1
167.08603	5.2
171.08090	18.7
171.11705	11.4
173.09624	41.6
173.13283	18.5
175.07553	15.2
175.11203	7.3
177.12778	25.9
181.12263	4.4
183.08075	4.9
183.11754	12.5
185.13213	3.7
187.11150	4.7
189.09109	4.0
189.12709	28.5
191.10652	18.7
193.08667	7.7
195.13921	7.8
197.13330	4.9
201.09146	3.3
201.12747	9.3
207.10046	3.6
207.13882	9.6
209.11783	8.2
211.09618	3.8
215.14384	4.6
219.11929	3.4
219.13792	15.2
223.13200	5.1
231.13855	20.1
237.14944	4.1
243.13969	9.8
255.27721	3.2
259.10883	4.9
261.14804	18.5
279.16010	19.5
297.17044	11.7
299.99408	3.4
315.10156	5.6
315.13449	10.0
315.17856	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	315.2529
Annotation	9,10-DHOME
Peak:m/z	Relative Intensity
53.03951	3.0
55.01862	2.9
55.05513	68.5
57.03439	33.8
57.07079	34.4
59.04996	2.5
65.03947	1.7
67.05503	29.9
69.07066	100.0
70.06606	4.2
70.16316	5.3
71.04984	4.6
71.08628	20.6
73.06554	2.7
75.04456	2.6
79.05497	18.4
81.07053	41.4
83.04987	6.0
83.08617	62.8
84.08980	2.0
85.10180	10.6
87.04464	18.6
88.07618	5.2
91.05483	5.7
93.07044	24.7
95.05009	3.0
95.08047	3.2
95.08607	31.5
97.06529	19.3
97.10170	31.3
98.23248	2.6
99.08085	2.5
101.06022	2.8
101.09673	2.4
105.07037	3.8
107.08596	19.7
109.10157	22.2
111.08074	13.7
111.11689	8.5
115.07558	4.9
116.98589	2.1
117.06982	2.3
119.08605	2.1
121.10143	23.8
123.11714	13.5
125.09628	13.2
125.13269	4.3
129.09120	6.4
131.19481	1.5
135.08055	2.6
135.11690	26.6
137.13293	2.9
139.11197	11.1
149.13260	16.4
153.12749	10.7
163.14807	5.5
167.14378	4.1
181.15884	3.1
185.15408	1.8
205.19516	19.9
215.10628	2.0
223.20580	16.8
224.16165	1.7
241.21577	2.3
250.17590	1.8
256.26312	8.2
271.13229	2.0
277.04120	1.7
297.24274	11.6
315.19592	3.0
315.25311	95.0
316.25235	3.2
316.26111	3.2
316.28729	16.2
334.38956	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.253
Annotation	9,10-DHOME
Peak:m/z	Relative Intensity
53.03942	1.9
55.01867	3.1
55.05512	75.3
57.03437	36.1
57.07075	34.9
58.93532	1.5
59.04988	1.8
67.05181	2.0
67.05504	25.8
69.06782	8.9
69.07074	100.0
70.07391	2.1
71.04984	4.5
71.08630	21.0
72.44209	1.2
73.06566	2.3
79.05496	16.4
80.29816	1.2
81.07056	43.4
83.05000	8.0
83.08618	64.4
84.82816	1.2
85.06541	3.7
85.10175	6.6
87.04501	1.7
87.08068	1.8
91.05476	3.2
93.07048	25.2
94.07302	1.2
95.08602	31.7
97.06532	17.4
97.10170	33.9
98.22542	2.5
99.08023	1.3
99.88929	1.3
101.06010	3.6
105.07001	1.9
107.08601	19.9
109.10164	19.5
111.08064	11.3
111.11735	12.0
113.09615	1.6
115.07557	3.0
119.08591	1.4
121.10141	22.9
123.11707	11.9
125.09611	12.9
125.13255	2.4
129.09123	2.8
135.11697	26.0
137.13196	1.3
139.11201	11.9
149.13255	16.8
150.13615	1.7
153.12755	5.9
163.14830	7.9
167.14250	6.2
181.15727	1.6
205.19527	16.9
223.20541	18.3
223.22290	1.6
241.21588	1.9
256.26395	1.4
297.24191	14.7
315.19641	2.5
315.25299	86.5
316.25699	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	316.0018
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	11.8
59.57637	1.2
69.96204	1.3
71.25299	1.8
71.95268	3.0
74.14615	1.3
98.97588	100.0
99.97941	2.6
101.00914	1.9
116.98623	59.7
119.01950	5.4
134.99654	20.4
135.00606	1.6
153.00826	1.8
167.09010	1.6
172.94385	6.0
174.97540	1.4
177.00949	12.7
178.01059	2.6
179.00810	2.2
189.31883	1.6
190.95406	4.2
201.01154	1.3
203.02507	2.3
207.98883	1.3
208.96506	2.2
211.48434	1.2
214.95427	1.8
216.98834	1.4
219.01991	10.2
220.02165	2.5
221.01735	2.3
230.93427	3.7
232.96487	5.6
234.03519	1.5
234.99867	2.5
243.02025	4.8
250.97527	3.2
256.96472	14.7
258.99915	1.7
261.00009	3.6
261.03064	42.0
262.03076	10.1
263.02896	6.8
264.02911	3.1
272.94620	1.5
273.94485	2.0
274.97507	82.0
275.04474	3.0
277.00809	1.8
278.00903	1.5
279.00681	4.5
284.99728	2.5
288.92197	3.2
290.95773	1.9
292.98569	50.4
293.05609	2.6
293.98651	1.7
301.00995	2.0
303.00827	3.9
310.46259	2.1
310.96268	1.8
315.95468	2.4
316.00339	2.0
316.07513	12.8
316.98807	4.5
318.98651	1.5
333.96561	2.3
334.96680	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.6
57.07078	15.5
58.06591	0.3
60.04507	0.4
62.06080	0.7
62.16238	0.3
66.52744	0.3
67.05495	0.5
69.07058	0.5
69.26256	0.7
69.26665	1.1
69.70965	0.3
70.06596	17.5
71.06915	0.4
71.08635	9.0
72.08974	0.3
79.05515	0.3
79.51823	0.3
81.07079	0.5
84.79794	0.3
85.10178	3.9
85.87029	0.3
88.07632	24.9
91.05442	0.5
93.07045	0.3
94.06496	0.3
95.08634	0.4
97.06551	1.7
102.09161	0.5
105.07057	0.6
106.08670	31.1
107.08503	0.4
112.73898	0.3
114.09116	0.4
119.08565	0.5
131.08546	0.3
135.55566	0.3
143.08533	0.4
149.05997	0.4
191.10634	0.6
199.07603	0.4
211.44072	0.3
298.30984	0.9
316.32095	100.0
317.17523	0.5
317.21356	1.0
317.32440	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	317.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03100	2.7
56.96565	14.3
58.06608	3.2
67.65748	2.9
69.03426	4.5
69.48751	5.8
69.49141	6.6
69.95672	2.9
75.67233	2.8
84.69270	3.2
84.96017	3.8
85.02903	3.5
94.06572	93.9
97.02907	6.0
98.23341	5.1
98.97588	100.0
101.00874	8.6
110.97588	16.4
116.98635	28.6
119.01938	4.8
128.98621	9.6
131.01923	4.0
134.99646	4.5
136.99106	7.9
137.10724	21.4
138.05518	4.5
143.01871	4.0
146.19911	2.9
147.03200	3.2
154.94225	3.4
155.00162	32.3
155.01343	3.7
155.01767	2.4
157.03496	2.9
158.99638	17.0
161.01083	3.1
161.02937	4.5
171.05022	13.5
173.01233	15.5
173.02721	4.3
177.00774	11.1
185.02975	3.5
197.01256	36.6
197.02988	12.3
209.03014	3.2
215.02289	23.2
215.04044	12.6
219.01793	7.8
221.05037	3.4
226.27740	2.9
237.02805	10.7
257.03210	6.6
298.08173	3.1
305.07187	4.2
317.06250	60.2
317.17093	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	317.0845
Annotation	2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile
Peak:m/z	Relative Intensity
58.06596	2.4
58.42019	1.0
69.03425	1.9
69.50906	5.5
77.49087	0.9
82.06577	2.3
85.02872	1.6
94.06573	47.6
96.08127	6.6
97.02879	1.6
98.83934	1.0
112.07618	2.7
120.08157	1.2
121.36101	0.9
137.10745	14.3
139.12285	3.5
151.81297	1.0
155.01958	1.4
155.03175	2.3
161.02931	1.3
164.62503	0.9
175.59027	0.9
185.04266	1.5
197.02902	1.4
215.04085	1.5
258.11826	1.9
274.12851	2.6
276.12900	3.7
285.11438	1.2
287.06131	1.4
299.07376	41.3
300.07651	1.3
317.08676	100.0
317.16821	16.4
318.09003	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	317.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94459	0.5
56.96552	0.5
69.65552	1.3
69.65939	1.1
73.11427	0.5
83.86896	0.4
84.59028	0.4
94.06587	0.6
98.97564	0.9
131.39754	0.5
276.07748	0.5
285.09442	21.4
286.09860	1.2
317.12051	100.0
318.12427	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	317.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	15.7
55.01874	15.9
55.05515	45.8
55.58995	10.2
57.03436	13.6
63.59385	9.1
64.41134	13.5
67.05505	47.1
69.03433	16.5
69.07063	26.0
70.89088	21.7
79.05502	41.7
81.03402	32.1
81.07056	76.1
83.04955	17.7
83.08624	29.9
84.04502	14.7
91.05482	77.2
93.07053	44.4
95.04984	20.2
95.08611	32.0
97.06541	40.3
99.00802	72.5
103.05479	12.4
105.07047	71.1
107.04948	69.6
107.08599	27.6
109.02885	36.7
109.06541	18.9
109.10168	37.6
117.07056	24.9
119.08596	41.7
121.06499	25.8
128.06232	23.7
129.06975	13.8
131.08549	23.4
133.10133	100.0
137.05952	18.3
137.09596	14.9
139.07596	13.5
143.08577	40.2
145.06552	15.5
145.10094	28.3
147.08025	16.5
147.11752	11.1
149.09669	13.1
151.11176	25.7
161.09604	66.7
171.08102	18.3
175.14973	11.0
179.10699	38.7
189.09074	91.9
206.11763	12.0
207.10187	13.6
225.11165	53.9
274.97672	11.4
299.09872	15.2
299.14932	75.7
299.20056	21.3
317.07486	10.7
317.11456	31.5
317.14981	17.1
317.21179	26.6
318.12787	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	317.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66729	6.2
53.00304	13.8
53.03931	6.1
55.01866	15.6
55.05512	60.6
57.03428	18.3
59.05004	6.7
66.75221	6.5
67.05498	43.7
69.07066	14.7
70.30359	13.7
71.04996	5.8
77.83335	5.6
78.64512	6.0
79.05508	30.2
81.03433	17.5
81.07055	49.8
83.04959	8.7
83.08623	37.3
85.02885	8.3
91.05477	62.3
93.07046	42.7
94.06577	7.6
95.04965	19.4
95.08614	18.0
97.02899	10.4
97.06529	19.0
99.00813	62.0
103.05477	9.5
105.07030	58.3
106.26472	6.0
107.04982	13.9
107.08590	23.8
107.20126	6.4
109.02885	25.0
109.06540	12.1
109.10136	16.6
111.04462	10.2
111.08128	6.5
115.03995	6.8
117.07017	14.0
119.08601	27.0
121.06487	19.0
121.10119	10.8
121.64455	5.9
123.08036	7.5
127.03926	8.4
128.06194	8.3
129.06973	6.5
131.08565	15.0
133.10138	100.0
135.11713	6.7
139.07545	8.1
143.08533	14.9
145.10147	11.7
147.08029	7.5
149.09634	8.1
151.11157	32.2
157.10191	6.1
159.11623	7.7
159.34604	5.9
161.09627	56.0
171.08063	14.5
179.10632	31.6
189.09081	36.5
197.11676	15.8
207.10123	14.9
225.11195	54.9
240.35768	6.1
243.12247	8.1
281.13965	7.8
299.14816	79.0
299.19968	11.5
300.15073	6.8
302.04007	7.4
317.06564	20.4
317.11307	15.4
317.14706	9.6
317.21127	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	317.2112
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
53.03931	2.9
55.01863	4.4
55.05511	20.1
57.03442	3.0
57.07074	15.1
59.04988	6.5
65.03929	4.3
67.05505	71.4
69.03417	7.2
69.07066	7.5
69.71684	5.3
70.06590	16.8
71.04990	3.3
71.08634	4.0
79.05495	12.2
81.06594	2.5
81.07056	34.7
83.04991	4.0
83.08600	2.8
85.06538	2.6
88.07633	23.6
91.05468	18.5
93.07047	21.4
95.04976	27.2
95.08607	22.1
97.06529	9.3
102.09181	15.1
105.07024	18.0
107.08602	42.8
108.05734	2.1
109.06528	20.6
109.10156	100.0
110.10496	3.2
111.08057	2.2
115.05487	1.9
117.07008	7.0
119.08577	63.3
121.06506	6.2
121.10123	6.9
123.08067	25.1
125.05967	2.4
129.07031	2.4
131.08575	5.7
133.06491	4.9
133.10127	8.7
135.08069	14.4
135.11697	2.8
137.09619	76.1
138.10001	3.0
139.07593	2.5
143.08577	6.1
144.59074	1.8
145.10173	9.9
147.08038	4.9
147.11702	5.4
149.09599	4.9
151.07545	73.6
153.05492	7.2
155.08537	2.3
156.09357	4.2
157.10147	2.7
159.08055	3.7
159.11707	6.1
161.09645	7.1
161.13281	2.4
163.07474	2.7
163.11172	3.6
165.09116	10.1
167.07060	3.0
171.11708	4.7
173.09703	3.1
173.13188	4.2
175.11237	3.4
177.09084	2.7
177.12822	2.2
181.08566	4.6
181.12286	2.9
183.11720	3.6
185.13205	2.2
189.12749	28.5
191.10652	3.2
191.14294	2.1
197.13380	2.2
199.11221	3.8
201.12737	2.0
203.14316	5.3
207.13788	27.6
215.14360	4.1
217.12260	3.3
221.15263	3.3
233.15416	3.1
237.14845	6.5
243.13881	6.5
256.26352	52.4
256.28967	3.7
259.16873	2.3
261.14783	4.3
263.34497	2.5
299.20004	12.0
300.29004	3.2
317.17776	2.6
317.21109	68.7
318.21704	4.3
318.30023	96.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2111
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03933	2.0
55.01857	3.5
55.05510	18.6
57.07076	17.1
58.06588	2.6
58.86842	2.1
59.04988	8.1
62.20186	1.9
65.03897	2.2
66.26794	2.1
67.05506	66.9
69.03419	6.8
69.07057	7.4
69.60269	4.8
69.60681	6.1
70.06585	19.8
71.04980	4.5
71.08620	5.2
79.05500	12.7
81.07057	36.1
83.04978	4.0
83.08620	5.2
85.06544	2.7
88.07633	29.8
90.45687	2.1
91.05489	20.8
93.07055	22.0
95.04971	33.2
95.08611	30.1
97.06525	6.9
102.09181	17.3
105.07035	18.6
107.04909	2.5
107.08598	50.7
109.06524	24.6
109.10158	100.0
111.08103	3.8
117.07016	7.1
119.08583	66.5
121.06515	6.1
121.10135	7.8
123.08067	33.7
125.05972	2.4
125.09681	2.1
129.07007	2.5
131.08571	8.0
133.06503	6.2
133.10150	11.0
134.25531	2.0
135.08043	10.3
135.11696	4.2
137.06001	2.1
137.09615	85.9
138.09943	2.9
141.07048	1.8
143.08574	3.6
145.10124	9.1
147.08070	6.3
147.11653	5.0
149.09596	5.5
151.07547	72.4
152.07903	2.4
153.05463	7.5
155.08525	4.0
156.09355	7.0
157.10130	5.0
159.08076	4.8
159.11685	5.7
161.09628	10.4
161.13365	2.2
163.07585	2.3
163.11153	4.5
165.09138	5.5
167.07118	2.8
171.11678	6.7
173.13300	3.4
174.10492	2.6
177.09044	4.3
177.12671	2.0
181.08530	3.4
181.12277	3.4
183.11734	3.2
185.09534	2.5
189.12769	34.9
190.13191	2.4
191.14366	3.3
193.27576	1.9
197.13252	2.8
199.11128	2.9
201.36192	2.4
203.14317	3.6
207.13799	31.0
215.10864	2.5
215.14291	5.8
221.15503	3.1
225.12785	2.4
233.15340	2.9
237.14931	8.1
243.13792	6.2
256.26382	56.0
261.14883	4.4
263.17758	2.2
281.19034	2.3
299.20108	11.8
300.28928	3.2
317.21127	71.1
317.28909	3.1
318.21658	6.1
318.30029	98.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.01879	1.6
55.05504	1.8
55.51543	1.1
55.93528	8.6
56.05035	2.4
56.94312	3.1
56.96563	18.8
57.03436	3.8
61.02935	2.2
61.30679	1.0
67.01861	1.9
67.05501	3.9
68.05032	2.8
69.03430	11.0
69.67602	4.3
70.06583	1.3
70.95856	2.7
71.05005	1.9
71.93011	2.8
72.04517	6.8
72.93787	8.8
73.02930	2.4
74.06072	7.7
74.11633	1.0
74.95358	2.0
79.05518	1.1
81.03417	5.6
82.06590	3.6
83.04966	2.9
84.04488	2.7
84.96048	1.7
85.02903	25.4
85.03374	2.3
87.04456	1.3
90.94819	7.2
94.06561	5.5
95.01333	2.5
95.06890	2.1
96.04482	7.5
96.08139	1.5
97.02892	11.6
98.06049	3.8
98.97579	30.3
99.04439	1.6
99.97940	3.2
100.07625	2.1
102.94837	1.3
109.02912	1.5
110.06039	10.8
110.97568	5.7
111.04429	1.4
112.04005	1.1
112.07623	2.4
113.00910	1.5
114.66459	1.1
116.98615	12.7
118.94298	1.4
119.01929	1.8
122.06042	5.0
125.04665	1.3
126.05514	7.2
127.03922	4.3
128.07082	4.0
128.96352	1.7
128.98587	6.1
131.95078	2.4
131.96149	3.2
132.95830	14.2
134.99664	2.8
138.05501	39.7
139.05829	1.6
140.07062	29.6
140.96355	1.4
141.07878	2.1
143.00209	2.2
143.01866	2.3
144.95842	9.0
145.04979	3.9
146.99687	3.0
150.96887	4.4
154.08670	1.9
155.00223	2.4
156.06551	100.0
157.01715	2.4
157.06873	2.6
158.08116	2.7
158.97391	10.4
158.99667	4.7
161.01439	1.4
161.02988	2.9
161.04593	1.5
161.96034	1.2
162.96921	5.7
168.95836	3.6
169.96707	1.6
170.08124	6.4
173.01241	2.2
173.97198	3.6
174.01616	2.4
174.96899	21.2
175.00467	5.7
175.02742	7.3
175.97658	1.3
176.98489	4.2
177.00717	3.4
186.56157	1.4
186.96899	7.2
187.97670	2.4
189.00737	1.5
192.97995	1.8
193.03835	2.6
195.53862	3.0
195.55659	2.1
197.01347	2.4
199.00562	5.0
199.02626	1.7
207.90372	1.5
211.00558	2.4
212.01436	2.5
215.02292	3.7
215.97137	1.9
216.00783	2.8
216.02646	3.7
216.97923	7.2
217.01804	2.5
217.03899	6.1
219.01799	4.1
229.01630	2.8
230.02295	1.2
231.11041	9.7
233.06737	1.6
233.99339	4.2
234.98997	36.9
237.02722	5.4
244.14308	6.8
253.00053	4.4
286.10007	2.1
288.03772	1.8
289.03568	5.5
301.03714	3.3
301.09024	2.1
311.98972	1.1
318.05737	3.6
318.08942	1.7
318.12277	14.7
318.17917	7.8
319.04517	4.3
319.07626	8.3
319.10284	2.9
319.13504	16.4
336.06793	3.1
337.07932	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	318.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.4
55.01868	0.7
55.05498	0.8
57.03428	1.3
61.02914	1.5
65.42739	0.4
67.05502	0.8
69.03429	4.5
69.07066	1.1
69.26167	0.4
70.26008	0.9
70.26350	0.5
72.08146	0.3
72.10935	0.3
73.02906	0.7
79.05478	0.6
80.04967	0.4
81.03429	1.7
81.07047	0.6
82.06573	1.3
83.04965	0.6
83.08623	0.4
85.02905	7.6
86.09684	0.5
87.04460	0.7
91.03934	0.6
91.05473	0.6
93.07035	1.5
94.06548	0.5
95.08603	1.6
96.04478	3.8
96.08128	2.5
97.02898	2.7
97.05285	2.2
97.06532	2.1
100.07598	1.5
108.08099	0.5
109.02869	1.1
109.06513	0.7
110.06037	6.6
110.09688	4.3
111.08055	0.9
120.08102	1.2
121.06499	0.8
125.08360	1.2
126.08292	0.6
126.09155	8.6
127.03914	1.4
138.05542	0.5
138.09135	23.2
139.07520	0.6
145.04948	1.4
156.10193	100.0
157.10707	2.1
168.10190	1.1
174.11252	1.0
180.10191	1.1
198.11209	0.7
212.53586	0.4
222.11174	0.5
255.06586	0.5
318.15515	1.6
318.19214	0.6
319.13031	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44710	63.1
72.17555	9.6
81.73564	12.7
152.00397	11.1
197.81566	12.2
236.81267	10.9
319.07773	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	319.2266
Annotation	(+/-)-15-HEPE
Peak:m/z	Relative Intensity
53.03955	4.8
54.59063	4.3
55.01862	19.9
55.05319	3.1
55.05515	37.8
57.03437	7.1
57.07065	13.6
65.03950	3.7
67.05185	4.5
67.05511	58.3
69.07065	59.7
71.04990	15.7
71.08630	73.3
71.14505	6.8
74.06082	5.0
79.05497	54.9
81.03410	6.7
81.07053	56.0
83.04969	17.4
83.08601	12.5
85.06538	20.0
85.10203	7.5
85.97628	3.5
87.04473	8.6
88.07625	13.5
91.05481	100.0
93.07045	53.7
95.04987	20.2
95.08606	24.3
97.06519	15.2
99.08084	55.9
105.07027	64.0
107.04964	11.8
107.08569	21.8
109.06514	12.0
109.10161	9.4
111.08051	6.8
111.11702	4.5
113.09665	5.9
115.03915	5.8
117.07016	73.3
119.08568	46.2
121.06495	23.5
121.10158	22.0
123.08081	8.1
123.11717	4.8
128.06198	11.5
129.07011	47.2
131.08553	54.5
133.06487	10.8
133.10135	20.3
135.08058	13.2
135.11723	13.5
135.39172	4.5
139.11166	20.8
141.06995	14.3
141.12747	23.5
143.08553	54.1
145.10104	60.1
147.08012	18.1
147.11659	10.5
149.09616	7.5
151.11127	5.8
153.06993	4.4
154.73993	3.9
155.08539	21.5
157.06454	4.0
157.10088	19.0
159.08070	9.0
159.11690	13.8
161.09583	18.5
161.13252	6.5
163.11168	13.2
163.14767	4.3
165.12769	4.4
167.08699	4.6
168.94212	4.2
169.10143	30.2
171.08000	3.9
171.11693	22.7
173.13210	5.9
175.11281	4.6
175.14847	11.8
177.09157	4.2
181.10144	9.5
183.11586	9.5
185.09662	7.1
185.13257	23.0
187.11205	24.8
189.09077	6.4
189.12805	6.8
189.16342	5.8
191.14278	5.9
195.11736	9.5
197.13246	4.7
199.11209	14.4
199.14839	8.1
201.16194	5.1
203.10606	6.0
203.14317	23.9
205.12260	32.3
205.15961	6.1
209.13217	5.0
213.12703	4.7
217.12221	9.5
217.15869	15.4
219.13710	6.4
231.13834	4.4
239.17900	4.8
241.19386	9.3
244.26549	3.8
255.21085	12.3
265.19513	9.2
270.27817	4.6
271.28113	11.6
273.22070	12.5
283.20624	24.7
291.23340	4.6
301.21619	66.4
319.18863	12.0
319.22559	83.7
319.30292	33.4
320.22888	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	319.2267
Annotation	15-OxoETE
Peak:m/z	Relative Intensity
51.38760	3.5
52.56308	3.1
53.03938	4.0
55.01865	3.9
55.05507	11.2
57.07069	8.3
62.95529	2.9
64.16459	3.1
65.38299	3.2
67.05501	29.4
69.07055	9.7
71.04997	6.6
71.08629	100.0
74.32738	3.5
79.05484	23.1
81.03387	4.9
81.07050	23.2
83.04980	6.3
83.08617	3.6
85.06516	10.3
91.05466	47.8
93.07062	21.8
95.04981	4.3
95.08611	13.4
98.23433	8.1
99.08099	76.0
100.90645	3.1
105.07031	31.4
107.04935	7.6
107.08586	10.3
109.06501	7.0
109.10135	7.8
115.05449	6.7
117.07014	29.4
119.08582	32.7
121.06489	7.0
121.10155	6.0
123.08080	7.7
128.06212	3.7
129.06998	20.3
131.08569	22.1
133.06479	3.7
133.10088	11.2
135.11745	4.5
141.06996	11.1
141.12732	7.2
143.08560	24.5
145.10120	28.0
151.11177	15.4
155.08549	5.8
157.10139	11.9
159.11711	10.9
161.09639	9.0
161.13229	4.7
167.08643	3.7
169.10080	17.5
171.11690	4.9
175.14885	4.2
179.14256	5.3
185.13228	29.6
187.11148	31.7
189.12796	4.5
203.14340	20.3
205.12206	42.7
217.15875	11.8
221.15324	3.9
283.20557	12.1
301.21536	16.0
319.22604	20.6
319.30386	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	321.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
60.18887	2.7
69.03429	7.6
69.46204	10.0
69.46619	7.0
72.52068	3.2
83.03196	2.9
85.02905	8.2
98.97601	3.9
127.03967	3.8
132.03949	3.4
145.04861	3.0
159.03973	3.2
160.64137	3.0
164.93564	8.3
171.62701	3.3
201.02461	6.9
203.06027	3.2
219.03607	6.7
245.07216	3.5
320.97690	21.1
321.08371	16.5
321.11819	100.0
322.12051	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	321.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.2
55.01865	5.8
55.05513	11.3
56.25698	0.8
56.39496	0.9
57.03438	7.1
57.07082	1.7
65.03941	1.0
67.05506	15.8
69.03433	1.5
69.07069	14.4
71.04995	2.4
79.05492	22.7
81.03443	1.2
81.07063	30.7
83.04971	4.8
83.08635	4.6
84.00736	1.0
85.06539	2.1
91.05485	19.3
93.07040	18.5
95.04968	5.1
95.08608	16.6
97.06543	6.5
105.07037	19.8
105.11153	0.9
107.04967	4.5
107.08595	13.9
109.06529	10.6
109.10157	9.1
109.10843	1.2
111.08083	1.5
113.08092	1.0
115.05469	1.4
117.07014	11.2
119.08582	13.0
121.06508	2.9
121.10150	8.7
123.08074	10.5
125.09603	1.1
129.05527	1.7
129.07031	3.4
130.07776	1.0
131.08575	19.2
133.06514	2.1
133.10133	11.7
135.08063	9.1
135.11713	3.5
137.05984	1.2
137.09647	4.6
141.07021	3.0
143.08583	6.0
145.06503	1.1
145.10118	18.3
147.08078	1.9
147.11711	4.2
149.09599	8.7
151.07556	15.0
153.09048	1.1
154.07762	1.6
155.08551	2.5
156.09433	1.1
157.10164	3.0
159.08070	2.2
159.11682	6.5
161.09660	1.7
161.13316	1.9
163.07350	0.9
163.11209	3.0
167.08615	1.6
169.08733	2.0
169.10155	6.3
171.11787	1.0
173.09625	1.3
173.13329	3.0
175.11235	1.4
177.09073	1.0
183.10217	1.7
183.11774	3.1
185.13330	3.3
187.11243	4.0
187.14827	10.8
189.12749	4.2
201.12762	1.1
201.16383	8.2
207.13794	10.0
211.14821	9.4
219.17542	1.9
229.15855	16.4
247.16965	10.3
303.19620	2.4
303.23111	1.2
321.16739	100.0
321.20630	29.0
322.17065	5.3
322.21033	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.9
55.01869	11.6
55.05512	8.1
57.03435	15.5
65.03926	1.9
67.05503	23.2
69.03423	2.1
69.07068	100.0
70.07404	1.1
71.04980	1.6
71.29074	1.5
74.65662	0.9
79.05492	41.2
81.03419	10.4
81.07055	31.2
81.07529	1.6
81.68652	1.1
83.04974	9.5
83.08620	2.5
85.06557	2.5
91.05476	33.5
91.06009	2.2
93.07043	29.6
95.01316	3.1
95.04968	10.7
95.08609	8.5
97.02877	1.1
97.06539	11.9
99.08059	1.1
103.03994	1.2
103.05477	2.0
105.03391	1.2
105.07020	18.7
107.04953	27.0
107.08588	17.9
109.02874	1.4
109.06521	19.8
109.10158	4.1
111.08118	1.3
115.05494	2.4
116.06267	1.3
117.07005	11.5
117.49165	1.0
119.08593	9.3
121.06525	3.1
121.10145	19.7
122.10485	1.3
123.04453	1.1
123.08066	2.2
123.11754	2.2
125.09602	2.2
126.86509	1.1
127.03914	1.2
127.07561	5.6
129.06998	5.2
131.04922	2.0
131.08571	27.0
131.09520	2.1
132.08910	2.5
133.06497	11.8
133.10126	14.0
135.08052	12.1
135.11681	1.7
137.09628	3.0
141.06976	1.7
145.06520	1.4
145.10158	6.9
147.08078	2.0
147.11740	2.2
149.09624	41.2
151.07686	1.5
151.11182	15.2
155.08537	1.5
157.10220	1.6
159.08043	5.9
159.11658	3.0
161.09586	1.7
171.10184	10.8
173.09647	1.2
173.13280	2.5
175.11003	1.5
177.09117	9.4
179.10692	1.4
183.10172	34.6
187.11137	1.2
189.09196	1.2
191.10692	1.5
191.14366	1.7
194.10898	1.1
201.16461	5.0
217.12080	1.7
219.17477	1.6
229.15877	4.9
232.14575	1.4
247.16901	4.5
259.33990	1.1
289.17953	1.0
303.16034	2.3
321.16833	10.3
321.20660	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	321.2425
Annotation	(S)-12-Hydroxygeranylgeranic acid
Peak:m/z	Relative Intensity
53.03939	11.0
55.01861	6.5
55.05515	29.5
57.03436	11.8
57.07080	10.0
59.04985	4.0
67.05502	54.4
69.03430	38.9
69.07069	78.5
71.04989	9.4
71.29498	5.6
73.06565	3.4
73.42857	3.0
74.81890	2.9
76.57968	3.1
79.05493	43.7
80.04850	3.2
81.03417	75.4
81.07056	79.4
83.04990	16.4
83.08624	12.4
84.81240	3.9
85.06546	9.2
86.09711	35.5
89.03918	4.8
91.05478	34.7
93.07040	72.7
94.02939	7.9
95.04970	28.1
95.08604	95.3
97.06529	44.7
97.10185	16.8
99.04481	3.7
99.08076	4.3
103.05462	3.6
105.07029	50.5
107.04984	4.9
107.08593	74.4
109.02864	20.4
109.06507	28.4
109.10158	100.0
111.08089	12.1
111.11698	4.2
113.06006	4.7
113.09621	4.8
115.07570	5.0
117.03401	20.9
117.07030	12.4
119.04959	3.6
119.08578	60.1
120.08095	31.2
121.06497	9.2
121.10144	55.8
123.08058	15.3
123.11704	23.2
125.09625	12.0
127.03906	6.4
128.10713	16.3
129.05525	3.4
129.06966	5.9
131.08556	22.9
132.10196	6.5
133.10117	38.5
135.08107	15.3
135.11679	30.8
137.09637	16.4
137.13254	6.4
139.11179	29.2
141.06972	5.5
143.08574	11.1
145.02866	52.8
145.10161	26.7
145.37061	3.4
146.03052	3.4
147.04420	13.9
147.08110	7.3
147.11684	32.9
149.05963	10.4
149.09625	12.5
149.13278	20.8
151.07570	5.8
151.11192	11.6
151.14801	4.1
153.09135	5.3
153.12764	6.1
155.10704	4.5
156.10321	3.7
157.10201	9.0
159.11699	29.5
161.09680	8.1
161.13287	12.8
163.11194	13.8
163.14839	9.0
165.09157	4.7
165.12772	11.4
166.08620	15.3
167.10896	3.5
169.10139	3.6
173.13297	12.4
175.07559	4.2
175.11237	4.4
175.14835	27.2
177.05469	86.2
177.12750	14.4
177.16440	5.9
178.05847	6.4
179.10638	3.8
185.13269	4.9
186.18494	4.4
187.11176	4.5
187.14857	10.2
188.15286	4.2
189.12720	3.8
189.16389	18.6
190.16849	5.0
191.14337	5.8
193.15950	6.7
201.16405	11.4
203.17975	4.8
205.15816	6.6
207.17590	6.9
211.14838	12.3
215.14374	6.0
215.17825	4.0
229.15849	15.1
230.21144	9.3
233.15463	4.8
235.17119	4.1
243.17470	3.4
243.20975	4.1
247.16928	9.0
257.22629	7.2
258.09039	4.8
267.21158	7.3
275.23798	6.4
285.22144	31.7
303.16080	6.3
303.19714	5.5
303.23080	50.4
321.04059	4.5
321.09290	38.9
321.12631	9.4
321.17557	14.2
321.20639	7.9
321.23990	40.9
322.10486	3.5
322.25806	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	321.2425
Annotation	19S-HETE
Peak:m/z	Relative Intensity
55.01873	3.7
55.05508	12.9
55.38485	2.6
57.07081	2.9
63.03732	2.1
63.28260	2.3
67.05511	20.5
69.07068	9.5
69.90244	2.2
71.08639	28.9
79.01944	2.3
79.05506	21.7
79.18411	2.1
79.76936	2.5
81.03420	3.8
81.07056	25.7
83.08618	5.8
91.05489	28.7
93.07064	23.1
95.04940	4.5
95.08619	18.8
97.06533	5.9
97.10135	2.6
98.23404	4.8
99.08116	17.2
105.07060	20.0
107.04946	3.7
107.08591	13.1
109.06498	4.5
109.10154	8.9
117.07051	11.1
119.08593	11.6
121.06492	4.6
121.10168	9.0
123.08070	2.2
123.11671	2.8
129.07018	5.6
131.08580	13.9
133.10118	6.6
135.08060	2.8
135.11755	2.9
143.08621	3.0
145.10178	11.2
147.11700	5.0
151.11205	3.0
159.89107	2.1
161.13272	3.4
171.11667	4.4
187.14832	7.8
189.12704	5.2
189.16377	2.5
205.15897	100.0
206.16312	3.8
229.50963	2.3
285.22241	2.9
303.23193	10.2
304.45761	2.5
321.24399	3.1
321.32486	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	321.2424
Annotation	14S,15R-EpETrE
Peak:m/z	Relative Intensity
53.03941	10.9
55.01869	13.1
55.05511	42.8
57.03432	6.3
57.07070	14.1
59.05003	4.8
62.92491	3.6
66.50143	3.7
67.05505	90.3
68.05843	3.8
69.03427	4.6
69.07062	45.2
71.05000	7.8
71.08637	54.0
74.33527	3.2
79.05492	76.0
79.05920	7.0
81.03422	12.1
81.07052	100.0
83.04984	16.1
83.08624	26.9
85.06543	5.6
85.10176	10.7
89.06033	11.3
91.05479	81.3
92.05814	4.1
93.07045	75.3
95.04967	44.6
95.08600	58.0
97.06537	14.2
97.10187	8.6
99.08086	49.6
103.05446	4.7
105.07024	77.8
107.04974	15.8
107.08594	46.0
109.06531	16.3
109.10138	23.6
110.10530	3.8
111.08067	16.8
113.09631	6.7
117.07018	28.1
119.08579	46.0
121.06520	16.3
121.10131	26.7
123.04484	4.1
123.08076	9.5
123.11688	10.0
125.09618	6.8
129.07014	14.5
131.08557	38.9
133.06430	4.4
133.10118	30.9
135.08035	10.5
135.11700	11.6
137.09645	6.7
139.11137	6.4
141.06999	6.7
143.08589	8.4
145.10127	30.3
147.11667	28.5
149.09621	7.8
149.13281	7.0
151.11153	17.0
155.08578	3.9
157.10129	9.3
159.08102	4.0
159.11710	23.3
161.13274	12.9
163.11229	9.6
163.14874	11.5
165.12778	5.9
169.10197	4.9
171.11653	22.8
173.13258	22.8
175.14812	10.4
179.14272	5.0
183.11736	7.3
185.13351	6.8
187.14796	21.3
189.12762	14.2
189.16394	7.7
191.14340	16.3
197.13187	4.1
201.12801	4.9
201.16327	9.1
205.15891	42.2
207.11877	6.4
207.13852	11.6
208.13464	5.2
209.13600	4.1
211.14902	4.0
219.13820	14.3
247.16914	7.5
267.21066	8.3
275.23981	5.4
285.22134	15.7
289.18048	5.7
294.65530	4.0
303.23157	72.9
304.23727	7.5
321.24164	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	322.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	0.9
67.05503	9.5
68.05023	1.0
69.07069	2.3
70.06591	100.0
71.06928	1.6
71.29511	0.3
73.02914	0.3
79.05489	1.8
81.03407	0.3
82.06573	0.5
84.08146	2.6
85.02895	0.5
91.05489	0.6
93.60690	0.3
94.06562	2.8
95.04967	10.6
99.04446	0.3
103.05466	5.4
105.07093	0.3
107.04963	1.6
112.07603	20.1
113.07928	0.3
130.07796	0.3
130.08617	1.5
131.04915	1.9
133.02805	0.3
137.02350	0.3
143.10722	0.3
146.06042	0.6
148.11192	0.4
149.06007	0.7
160.07443	0.3
161.95222	0.2
174.07623	0.4
206.14612	0.3
260.13022	0.4
278.13870	13.0
279.14297	0.7
287.04974	0.3
291.10190	0.4
322.09158	0.6
322.12808	3.4
322.16693	0.4
323.12912	0.5
323.16708	0.3
324.59714	0.3
332.66428	0.3
341.55325	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15424	6.4
56.96568	12.2
62.85839	7.2
67.94035	6.7
70.06594	35.0
70.75832	14.6
79.05503	14.7
81.07066	11.3
83.04987	52.8
84.08163	10.0
85.02905	13.2
89.82137	8.0
97.06544	45.5
97.64004	6.5
98.15264	6.1
113.33395	7.0
125.05995	100.0
143.07043	66.3
160.07631	20.3
301.31989	8.2
322.13550	43.0
323.12143	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	323.1236
Annotation	Brachystemidine C
Peak:m/z	Relative Intensity
50.02783	0.6
55.01867	1.0
62.19608	0.5
65.03922	0.6
67.05477	1.2
68.05022	0.7
69.03418	1.5
69.07073	0.7
69.80882	1.3
69.81242	1.2
70.02948	0.7
71.01364	3.9
79.05484	1.5
81.03432	1.4
81.07059	1.5
83.04985	1.1
85.02920	0.9
89.02388	1.5
91.05434	3.0
93.07063	1.2
94.06573	1.9
95.04966	1.4
95.08566	1.0
96.04492	3.6
96.96099	0.5
98.06054	1.3
102.04690	1.3
103.05478	1.9
105.07015	2.3
107.04938	0.8
107.08575	1.0
110.06047	1.6
115.05462	0.6
117.07017	0.5
119.04959	1.3
119.08576	0.8
120.04456	0.8
120.08116	2.4
122.06053	3.8
123.04427	1.9
124.07603	2.2
128.06294	0.6
130.06534	3.0
131.04945	2.0
133.06482	1.4
134.06024	0.8
134.09647	0.6
136.07607	1.2
138.05508	2.1
138.09103	0.9
139.06357	0.8
140.07085	2.9
144.08064	2.9
146.06012	4.9
146.09637	0.9
147.04391	2.6
147.09142	0.9
148.07571	7.7
149.06001	0.8
149.07104	0.7
155.23131	0.6
156.04468	1.5
157.06401	0.6
158.06027	0.7
161.10785	1.1
162.03171	0.9
162.05479	0.8
162.09140	3.6
163.03915	0.8
164.07072	0.7
165.06863	0.6
165.10233	4.1
171.09158	1.0
172.07593	6.3
174.05507	1.8
174.09175	1.3
175.08684	2.2
176.07077	9.1
177.05431	0.9
186.09167	0.8
189.05490	0.7
189.10237	7.0
190.08650	7.5
191.08441	1.0
193.09744	7.6
194.08107	0.9
196.07755	0.7
199.08698	2.7
200.07068	5.7
201.06607	1.6
202.04987	0.7
203.08159	3.0
204.06493	1.4
206.15434	0.6
207.11314	6.1
214.08620	1.7
217.09737	17.1
218.08102	3.3
218.10025	0.9
219.07678	4.1
221.05890	0.8
221.09283	3.1
221.47603	0.6
224.07166	0.7
227.08279	4.1
234.10034	0.9
235.10727	10.5
237.08846	0.6
241.09738	2.6
242.08134	5.1
243.11269	0.9
245.09183	10.4
249.05421	0.7
259.10837	3.5
260.09006	1.1
263.10251	11.9
277.08514	0.9
277.11795	0.8
281.08054	0.8
281.11340	2.5
287.10239	4.8
288.08643	1.3
291.10190	1.6
295.06061	1.0
295.09280	0.8
305.11401	9.4
305.14868	1.2
306.09595	6.7
323.09192	6.2
323.12381	100.0
324.12811	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02783	0.6
55.01867	1.0
62.19608	0.5
65.03922	0.6
67.05477	1.2
68.05022	0.7
69.03418	1.5
69.07073	0.7
69.80882	1.3
69.81242	1.2
70.02948	0.7
71.01364	3.9
79.05484	1.5
81.03432	1.4
81.07059	1.5
83.04985	1.1
85.02920	0.9
89.02388	1.5
91.05434	3.0
93.07063	1.2
94.06573	1.9
95.04966	1.4
95.08566	1.0
96.04492	3.6
96.96099	0.5
98.06054	1.3
102.04690	1.3
103.05478	1.9
105.07015	2.3
107.04938	0.8
107.08575	1.0
110.06047	1.6
115.05462	0.6
117.07017	0.5
119.04959	1.3
119.08576	0.8
120.04456	0.8
120.08116	2.4
122.06053	3.8
123.04427	1.9
124.07603	2.2
128.06294	0.6
130.06534	3.0
131.04945	2.0
133.06482	1.4
134.06024	0.8
134.09647	0.6
136.07607	1.2
138.05508	2.1
138.09103	0.9
139.06357	0.8
140.07085	2.9
144.08064	2.9
146.06012	4.9
146.09637	0.9
147.04391	2.6
147.09142	0.9
148.07571	7.7
149.06001	0.8
149.07104	0.7
155.23131	0.6
156.04468	1.5
157.06401	0.6
158.06027	0.7
161.10785	1.1
162.03171	0.9
162.05479	0.8
162.09140	3.6
163.03915	0.8
164.07072	0.7
165.06863	0.6
165.10233	4.1
171.09158	1.0
172.07593	6.3
174.05507	1.8
174.09175	1.3
175.08684	2.2
176.07077	9.1
177.05431	0.9
186.09167	0.8
189.05490	0.7
189.10237	7.0
190.08650	7.5
191.08441	1.0
193.09744	7.6
194.08107	0.9
196.07755	0.7
199.08698	2.7
200.07068	5.7
201.06607	1.6
202.04987	0.7
203.08159	3.0
204.06493	1.4
206.15434	0.6
207.11314	6.1
214.08620	1.7
217.09737	17.1
218.08102	3.3
218.10025	0.9
219.07678	4.1
221.05890	0.8
221.09283	3.1
221.47603	0.6
224.07166	0.7
227.08279	4.1
234.10034	0.9
235.10727	10.5
237.08846	0.6
241.09738	2.6
242.08134	5.1
243.11269	0.9
245.09183	10.4
249.05421	0.7
259.10837	3.5
260.09006	1.1
263.10251	11.9
277.08514	0.9
277.11795	0.8
281.08054	0.8
281.11340	2.5
287.10239	4.8
288.08643	1.3
291.10190	1.6
295.06061	1.0
295.09280	0.8
305.11401	9.4
305.14868	1.2
306.09595	6.7
323.09192	6.2
323.12381	100.0
324.12811	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05671	0.6
53.03939	0.6
55.05513	16.6
56.96558	1.7
57.07070	0.8
58.91555	0.6
60.50282	0.5
64.90582	0.6
67.05501	2.9
69.03432	0.8
69.07066	6.8
71.04985	0.7
79.05501	2.5
80.05022	1.1
81.03438	1.3
81.07059	9.2
83.04977	0.8
83.08603	1.8
85.06546	1.1
91.05479	3.3
93.07036	2.8
95.04992	1.4
95.08595	6.3
97.06561	1.7
97.10171	33.3
105.07046	3.4
107.08580	3.3
108.04472	1.2
109.06489	0.8
109.10148	4.0
111.08091	0.8
119.08574	2.9
121.10156	2.9
123.08076	0.8
123.11711	2.8
125.09618	6.1
133.02905	0.7
133.10129	2.1
135.11693	2.1
137.09637	0.7
137.13257	2.1
139.11147	0.8
143.08600	0.7
143.10672	11.8
145.10097	1.0
147.11630	1.4
149.13283	2.2
161.13284	0.7
163.14851	1.4
164.10771	0.6
171.10182	0.8
177.16478	0.6
189.11241	2.8
189.12737	0.7
202.41197	0.8
231.08084	0.7
249.10991	1.8
259.07513	0.6
300.08359	1.0
305.24612	3.8
318.09412	1.2
323.14667	100.0
323.17963	4.6
323.25391	4.9
324.15015	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	323.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
53.70549	0.7
54.36137	0.8
55.01875	7.3
55.05513	33.4
57.03448	1.8
57.07058	1.2
59.04992	1.6
67.05504	17.0
67.63729	0.9
69.03419	5.6
69.07068	15.1
69.78571	3.5
70.91479	0.7
71.04993	1.9
79.05493	17.4
81.03432	3.2
81.07059	15.8
83.04993	3.5
83.08615	12.7
85.06548	0.9
91.05479	12.6
91.27013	0.7
93.07050	14.2
95.01393	0.9
95.04967	5.7
95.08605	8.9
96.46432	0.8
97.02892	2.8
97.06548	2.9
97.10172	21.7
97.10777	1.5
98.22676	1.1
105.07030	9.2
107.04973	5.3
107.08600	14.9
108.18610	0.9
109.02897	1.7
109.06511	2.8
109.10149	5.0
111.04482	1.1
111.08062	1.3
115.05490	1.0
117.07021	4.9
118.11493	0.7
119.04941	1.6
119.08566	9.3
121.06526	3.3
121.10162	3.1
121.47893	0.7
123.04454	1.2
123.08042	6.0
125.09625	21.7
129.07018	2.2
131.08575	5.7
133.06470	2.4
133.10136	4.4
135.08070	7.1
135.11714	1.0
137.09634	2.5
139.11171	1.1
143.08557	2.7
145.06552	1.1
145.10147	4.5
147.08038	4.5
147.11710	2.5
149.09660	2.0
153.09079	4.8
157.10188	2.0
157.12306	1.9
159.11670	1.6
161.09653	2.1
162.10406	1.5
163.11156	1.7
165.09123	4.0
169.10117	0.8
171.11580	0.9
175.11174	2.1
189.11279	0.9
189.12828	1.2
199.11180	1.0
203.12778	10.5
221.11772	1.6
223.13254	7.9
235.13429	1.2
237.14719	1.3
245.19083	2.2
249.14868	2.1
257.46552	0.8
273.18533	10.1
291.19537	100.0
292.19876	6.3
305.21109	28.7
306.21448	2.4
323.22131	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13157	1.9
53.03937	9.0
55.01876	16.4
55.05241	3.8
55.05510	56.6
57.03426	9.6
57.07071	7.8
67.05503	91.6
69.03423	9.5
69.07068	29.8
71.01364	2.1
71.04980	7.4
79.05496	66.0
81.03427	8.4
81.07057	100.0
82.07400	2.5
83.01340	9.2
83.04983	49.3
83.08229	1.9
83.08631	16.2
85.06554	10.8
91.05481	72.3
92.45644	2.1
93.07044	71.2
95.04953	19.6
95.08608	47.5
97.02866	3.8
97.06530	15.5
97.10182	6.2
99.04463	2.0
99.08078	5.6
105.04523	2.7
105.07036	62.3
107.04958	17.6
107.08593	51.1
109.02856	3.3
109.06519	18.8
109.10154	59.1
111.04417	11.1
111.08089	18.2
115.05447	3.6
115.07541	3.1
117.07008	14.2
119.04972	2.3
119.08576	24.9
121.06490	19.2
121.10168	21.0
123.04459	3.3
123.08073	13.6
123.11734	17.2
125.05987	7.0
125.09627	3.9
128.06216	3.3
129.06998	8.0
130.01506	2.2
130.07753	3.1
131.08566	23.3
133.06490	17.2
133.10124	96.7
134.10416	3.3
135.08038	10.8
135.11687	15.3
137.05992	5.8
137.09630	9.0
137.13132	2.7
139.07521	11.5
139.11172	4.6
143.08534	14.9
145.10126	14.3
147.08029	9.7
147.11653	10.7
149.09628	15.8
149.13196	3.1
151.11182	80.7
152.11548	2.4
153.09114	4.1
157.10121	8.0
159.08078	7.0
159.11699	9.0
161.09601	19.6
161.13297	3.5
163.11194	6.9
165.09128	5.0
167.10643	2.3
171.11688	9.3
173.09647	5.3
173.13330	2.9
175.11214	8.9
177.09070	13.4
177.12811	2.8
179.10646	13.7
181.08710	4.0
181.12283	4.0
183.13792	23.4
185.13179	4.7
187.11142	3.3
189.12735	4.9
193.12274	2.6
199.11150	4.8
203.14334	4.4
203.17850	2.3
207.13828	3.5
211.13316	4.4
213.12924	2.8
217.12308	2.9
227.17960	6.8
229.14323	2.5
245.19003	18.1
255.17517	7.5
263.20093	18.0
269.69464	2.4
273.18472	42.6
274.18710	3.8
291.19534	87.9
292.19897	7.6
305.20959	11.6
323.22150	46.1
324.22607	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.4
55.01877	14.0
55.05247	3.0
55.05511	43.6
57.03424	8.4
57.07065	2.6
58.21568	2.2
65.03943	4.7
67.05506	83.8
69.03429	10.0
69.07067	29.9
69.11268	17.9
71.04971	5.9
71.08638	2.4
73.06545	2.4
79.05493	64.3
80.05785	2.6
81.03416	4.7
81.07056	83.0
83.01340	10.3
83.04978	29.0
83.08607	16.4
85.02885	2.2
85.06548	7.3
91.05484	67.3
93.07042	71.8
93.07635	4.2
95.04974	18.0
95.08050	4.2
95.08604	53.1
97.02894	3.7
97.06525	13.9
97.10126	5.2
99.08082	5.0
105.07025	51.8
107.04954	17.9
107.08598	47.5
109.02890	4.2
109.06526	17.1
109.10148	49.2
111.04443	9.4
111.08089	17.9
117.07012	13.2
119.04936	4.9
119.08582	27.9
121.06505	22.1
121.10132	17.9
123.04424	7.8
123.08030	11.2
123.11686	14.6
125.05995	4.6
125.09643	4.6
128.06206	2.9
129.06952	10.5
131.08569	20.3
133.05597	2.5
133.06482	15.3
133.10126	80.0
134.10468	3.4
135.08055	9.7
135.11639	11.3
135.41530	2.6
137.05969	4.8
137.09615	9.3
139.07529	9.0
142.07631	2.9
143.08577	12.6
145.06427	2.8
145.10132	16.7
147.08063	20.4
147.11678	14.6
149.09586	17.1
149.13274	4.0
151.07547	4.9
151.11185	60.2
153.12753	4.4
155.08592	2.8
157.10138	7.4
159.08049	6.1
159.11667	9.1
161.09586	16.9
161.13304	4.5
163.11171	7.1
165.09149	5.5
171.11668	7.8
173.09660	3.8
173.13281	2.9
175.11218	10.5
177.09074	5.4
179.10699	11.7
179.14362	4.3
181.08543	2.6
183.13818	19.0
185.13304	5.7
187.11128	2.4
189.12752	9.7
191.10744	2.4
193.12276	2.4
199.11157	5.5
203.14323	3.5
207.13794	3.4
213.12701	2.6
217.12160	5.2
223.13126	2.7
227.17891	7.0
229.14279	2.5
233.15494	2.5
235.30348	2.2
245.19008	22.6
255.17422	8.5
263.20084	23.6
268.00250	2.2
273.18454	45.7
277.21710	3.2
291.19547	100.0
292.19812	6.9
305.21271	10.9
323.22272	41.6
324.22464	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	323.2217
Annotation	Rapanone
Peak:m/z	Relative Intensity
55.01879	5.6
55.05505	3.1
57.03437	30.9
57.07057	1.4
59.05006	0.9
63.54440	1.0
65.03942	2.4
67.05505	24.8
69.07062	2.0
70.48920	1.0
70.63924	1.0
71.04983	3.0
71.54765	1.0
75.45564	0.9
78.08440	0.9
79.05486	8.4
79.94643	0.9
81.07061	10.9
83.04947	2.0
83.08647	2.5
85.06549	27.2
91.05482	9.9
93.07062	10.5
95.04366	1.9
95.04969	35.8
95.08598	4.9
97.06534	3.3
98.22546	1.9
105.07026	6.7
107.04990	2.5
107.08614	7.0
109.06524	29.2
109.10162	2.0
110.06882	1.4
111.04434	1.7
111.08075	1.3
113.06010	100.0
114.06355	2.6
117.07019	5.2
119.08590	4.5
121.06575	1.8
121.10157	3.6
123.08089	1.6
124.77728	1.1
129.07019	2.7
131.08577	6.9
133.10130	3.3
135.08052	27.5
135.11678	3.1
142.75082	1.1
143.08543	2.8
145.10150	5.1
147.08008	2.1
149.09587	3.8
157.10130	2.3
159.11713	3.3
161.09624	4.1
163.11186	3.0
171.11684	1.3
175.11143	1.7
183.11755	1.3
199.14751	1.2
201.12758	1.2
210.71370	1.0
217.15877	6.8
237.16574	1.0
245.19009	1.2
273.18457	11.6
280.11496	1.2
291.19543	37.7
292.19901	1.8
305.21130	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45776	1.8
53.03941	5.9
55.01870	3.8
55.05513	18.5
57.03433	11.4
57.07065	5.1
67.05136	2.5
67.05503	38.2
67.65467	1.7
69.07068	18.0
71.04987	7.2
71.08623	3.7
78.57005	1.5
79.05492	62.0
81.07054	45.9
83.04965	3.0
83.08622	8.3
83.81489	1.6
85.06545	7.9
91.05484	70.7
93.07045	74.4
93.07637	4.0
95.04972	7.3
95.08601	35.5
95.09172	3.3
97.06534	7.6
97.10168	3.8
99.08102	6.1
100.04478	1.5
101.06074	2.0
105.04549	2.1
105.07027	71.8
106.06563	1.6
107.04974	2.5
107.08597	46.1
108.08936	2.4
109.06542	3.7
109.10153	18.7
111.08069	3.9
117.07016	17.5
119.08583	76.7
120.08947	2.5
121.06554	2.6
121.10147	44.8
121.11018	2.8
122.10480	2.0
123.08073	2.7
123.11712	4.6
128.06273	2.5
129.05519	3.9
129.06987	15.6
130.07788	2.3
131.08578	26.4
132.08951	2.0
133.10130	100.0
134.10460	3.4
135.08076	7.2
135.11690	29.6
142.07770	3.0
143.08560	16.9
145.10124	36.0
147.08052	4.2
147.11684	78.9
149.09596	8.1
149.13258	9.8
151.11165	2.6
157.10118	24.1
159.11697	13.6
161.09633	7.7
161.13286	8.7
163.11168	5.6
171.11694	27.0
173.13298	5.7
175.11191	8.8
175.14838	2.1
179.10820	2.4
185.13277	10.5
187.14818	10.6
189.12743	5.5
189.16364	39.3
203.14326	4.8
203.17941	30.9
213.16379	78.2
214.16751	6.4
219.79138	1.8
231.17432	96.4
232.17798	4.9
249.18428	14.5
305.21106	9.3
305.24435	1.9
323.22241	32.5
336.38577	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02399	2.1
53.03937	3.6
55.01865	5.5
55.05508	22.5
57.03426	9.6
57.07070	10.8
67.05508	40.7
69.03416	2.7
69.07073	17.4
71.04993	6.0
71.08649	11.0
74.96270	2.2
77.86308	2.1
78.21535	1.9
79.05498	68.2
79.05961	3.2
80.05801	3.3
81.03424	3.4
81.07054	45.9
83.04990	5.1
83.08630	10.1
85.06544	10.4
91.05481	71.0
92.05789	4.0
93.07047	71.4
94.07375	2.4
95.04952	8.8
95.08617	37.5
96.11193	2.1
97.06537	5.2
97.10186	3.3
99.08084	12.0
105.07037	84.7
107.04939	4.4
107.08598	47.8
109.06512	7.8
109.10146	18.1
111.08051	5.2
111.11774	2.5
117.07043	15.4
119.08585	71.9
121.10155	39.7
123.08083	5.3
123.11714	4.8
128.06238	2.7
129.05493	4.8
129.06961	15.0
131.08583	29.4
133.10130	100.0
135.08086	7.3
135.11694	31.1
142.07820	3.7
143.08598	12.6
145.10146	24.9
147.08057	3.7
147.11687	78.7
149.09628	5.7
149.13254	6.6
151.11177	6.4
156.09343	4.2
156.66788	2.5
157.10121	22.5
159.11719	13.7
161.09648	8.2
161.13254	8.3
163.11153	4.9
165.12779	2.6
167.10674	3.7
171.11696	31.8
173.11783	4.3
173.13287	8.9
175.11162	8.2
175.14906	2.6
183.10197	4.4
185.13315	8.6
187.14844	13.0
189.12724	7.6
189.16380	33.5
203.14313	9.2
203.17952	23.5
213.16385	73.0
214.16794	6.0
231.17438	91.8
232.17654	3.8
249.18541	15.5
305.21259	10.9
305.24335	2.8
323.18799	1.7
323.22186	34.6
324.22348	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	323.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.7
55.01875	3.2
55.05514	15.1
57.03430	19.6
59.04999	2.5
67.05505	22.3
68.05855	3.2
69.07058	8.4
69.98492	9.6
71.04994	3.7
71.08634	100.0
79.05495	21.0
81.03412	8.0
81.07057	36.9
83.04974	5.4
83.08611	8.0
85.06531	4.1
91.05491	27.2
91.31289	2.3
93.07039	18.9
95.04964	10.8
95.08620	11.3
96.18231	2.5
96.51385	2.3
97.06528	7.8
99.08096	88.0
99.08742	4.7
105.07035	14.3
107.04953	14.3
107.08598	13.8
107.81252	2.3
109.06511	27.3
109.10162	7.6
112.67869	3.1
117.07008	4.6
119.08565	8.6
121.10140	8.5
123.08083	4.8
127.07555	8.3
127.11203	2.3
129.07011	3.9
131.08591	5.9
133.10149	20.5
135.08049	17.2
135.11665	4.4
137.09612	3.1
139.11029	2.8
143.08574	2.8
145.10120	3.3
145.63657	2.4
147.11711	6.0
149.09627	17.9
151.11186	44.6
157.10114	4.5
159.11685	2.4
161.09654	5.2
161.13268	2.9
163.62636	2.3
171.11710	2.6
173.11748	24.7
183.10175	58.1
184.10577	3.3
186.73331	2.9
196.18936	2.6
203.17946	4.2
221.19121	3.3
231.17378	5.5
249.18463	6.6
276.95807	2.6
305.17566	4.2
323.15155	3.0
323.18704	4.8
323.22165	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	323.2581
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
53.03940	1.5
55.01862	0.5
55.05513	46.3
56.05837	1.0
56.87634	0.4
57.03431	1.7
57.07061	1.4
59.04987	0.7
61.88627	0.4
64.12617	0.4
67.05504	6.0
68.05846	0.4
69.03426	1.2
69.07069	17.3
69.55260	2.1
70.07388	0.5
70.22644	0.4
71.04999	0.9
71.08632	0.4
73.06544	0.5
73.99037	0.4
79.05505	3.6
81.03429	0.8
81.07057	17.9
83.04977	0.9
83.08610	3.9
85.06553	1.7
87.08081	0.9
91.05465	2.6
93.07050	7.6
95.04974	0.6
95.08610	15.8
96.08968	0.8
97.06553	2.4
97.10172	100.0
98.10497	2.9
99.08116	1.4
105.07048	2.5
107.08597	8.3
107.09290	0.6
109.06544	0.9
109.10160	8.9
109.10916	0.5
111.08103	1.5
111.11725	1.4
113.09673	0.7
119.08573	3.4
121.10130	4.9
123.08061	0.8
123.11717	6.4
125.09635	19.2
126.10030	0.5
132.44939	0.4
133.10144	3.0
135.11697	3.0
137.13261	3.3
139.11188	2.9
141.07088	0.7
141.09138	0.5
143.10677	44.4
144.11041	1.0
147.11703	1.5
149.09676	0.5
149.13264	4.4
151.11224	1.2
151.14822	0.9
153.09229	0.4
153.12755	0.6
157.10332	0.5
157.12285	1.2
159.11763	0.6
161.13275	1.8
162.13623	0.5
163.14804	4.0
165.12730	0.7
171.10191	4.1
175.14862	1.2
177.16492	0.6
179.14281	2.9
185.13329	0.5
189.11234	7.9
189.12810	0.6
189.16454	1.4
203.17848	0.5
209.15265	0.6
223.16982	0.5
235.17053	0.9
249.18623	0.6
259.24365	0.7
277.25339	1.1
287.23804	0.8
295.06125	0.6
305.24738	10.5
305.27921	0.6
306.25211	0.8
312.16296	0.4
323.05780	0.8
323.14764	16.4
323.25735	10.8
324.15213	0.8
324.26147	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31287	1.5
53.03935	1.9
55.01875	1.8
55.90926	1.4
57.03429	5.3
61.02943	1.6
61.17324	1.5
62.59440	1.4
69.03433	13.4
70.73721	2.8
71.04993	6.7
73.02900	1.5
75.65704	1.6
85.02905	71.8
97.02903	8.0
98.97603	2.0
99.04446	11.0
109.02909	1.9
113.02367	18.4
120.04470	4.7
127.03934	10.5
127.07560	2.3
131.01666	5.2
135.97173	1.6
145.04959	61.1
147.95255	1.7
160.04288	3.1
162.05496	100.0
163.03908	3.3
163.05803	2.4
166.04961	4.1
217.07895	1.6
234.07597	4.2
243.08160	1.8
272.34561	1.8
324.10678	6.1
325.08722	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	5.6
61.02915	12.9
67.68050	4.0
69.03439	24.7
69.64211	18.8
71.04990	5.1
73.02927	4.6
81.03427	8.7
85.02906	100.0
85.06538	36.5
89.03868	3.6
91.03966	8.8
91.37090	3.2
96.99635	3.5
97.02892	27.2
109.02882	7.0
117.03394	6.0
127.03928	26.9
127.07565	4.5
129.47337	3.9
135.04373	4.9
140.57950	3.7
145.02844	8.0
145.04961	51.9
147.04399	7.2
163.03905	57.7
163.05997	21.6
229.10651	4.9
300.48389	4.2
324.11121	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	324.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
57.03429	4.9
58.06617	10.2
60.08131	2.4
61.02918	2.2
67.05511	10.0
69.03428	11.3
69.46922	10.4
70.06597	2.9
71.05004	2.3
71.15572	1.9
76.40672	2.0
77.08853	2.0
79.05489	6.0
81.03415	2.7
81.07053	16.6
82.06575	3.1
84.08153	3.5
85.02901	16.6
85.06548	100.0
86.06837	2.5
89.03915	2.7
91.05471	2.7
97.02912	11.7
99.04455	2.1
100.07614	4.0
109.06520	6.7
111.04459	3.0
115.34767	2.0
117.03396	5.7
119.04898	3.8
123.04410	3.8
127.03926	5.3
127.07562	82.6
128.07913	3.1
135.04405	11.2
139.03862	9.9
145.02847	5.7
145.04959	3.2
145.08656	2.3
147.04425	10.9
161.10809	2.7
163.03908	65.5
179.25345	1.9
268.45673	2.3
278.18533	15.6
283.08139	3.3
324.19159	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	324.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42336	3.0
54.06622	3.5
55.05497	3.9
57.03432	6.2
57.07076	3.8
67.05520	5.1
69.03416	19.2
69.07042	5.6
70.34100	7.8
71.04982	18.0
73.06527	3.2
79.05487	8.6
81.03413	7.5
81.07038	7.7
81.40803	2.6
85.02915	20.2
89.03921	7.3
91.05497	7.7
93.07046	7.4
95.04996	5.2
95.08670	3.9
95.86759	2.8
97.02885	15.9
97.06533	3.7
105.07030	4.2
107.04954	7.5
107.08544	5.1
109.02869	3.7
109.10156	6.8
115.05434	4.1
117.03369	11.7
117.06985	5.3
119.08549	5.5
120.08117	3.3
127.03890	5.6
127.11185	29.4
131.04936	5.9
133.06454	4.6
135.04454	23.7
135.08063	4.0
137.05968	32.7
141.06978	3.4
145.02838	18.8
145.12233	69.8
147.04413	9.2
147.08038	9.2
161.05986	5.0
163.03903	100.0
163.07549	10.2
169.06493	9.1
175.07532	25.7
181.05028	4.7
231.02924	4.2
233.06087	4.2
251.07234	3.2
263.07394	4.0
278.05441	3.8
279.06567	4.6
281.08081	5.1
293.07797	4.0
324.13422	6.6
325.10822	3.6
325.14264	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0916
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03934	1.1
57.03431	1.1
57.62091	0.3
63.02378	0.4
64.11119	0.4
69.03423	7.2
71.01350	0.8
71.04984	0.5
72.00730	0.3
79.05482	1.4
81.03421	3.2
85.02392	0.6
85.02894	4.3
87.86557	0.4
89.03916	7.5
91.05473	0.4
95.04985	0.7
97.02894	16.4
99.04444	1.3
101.02365	0.7
107.04955	2.7
109.02877	1.2
117.03379	10.2
118.03706	0.4
118.36375	0.3
121.02860	0.4
127.03901	1.2
135.04414	18.3
136.04735	0.6
145.01721	0.8
145.02852	14.0
145.06502	0.4
146.03123	0.5
147.04364	0.5
148.31097	0.3
162.34003	0.4
163.03899	100.0
164.04216	4.4
177.06900	0.4
179.12157	0.4
181.04927	2.4
186.03061	0.3
194.07338	0.3
201.05486	0.6
202.16194	0.4
204.05516	0.4
205.06512	0.7
221.05888	0.5
233.05925	0.7
237.09035	0.4
250.06248	0.8
265.08835	0.7
278.05609	0.6
285.13586	0.5
292.07193	0.8
293.08005	1.1
307.08041	2.0
325.09103	4.6
326.09387	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19938	0.3
53.03936	1.1
55.01862	0.6
57.02781	0.3
57.03434	2.0
63.02377	0.5
69.03431	7.9
69.03793	0.3
69.92952	0.5
69.93328	0.6
71.01332	1.1
71.04984	0.9
73.02914	0.4
79.05487	1.0
81.03416	3.4
81.07056	0.4
85.02908	5.4
89.03922	7.2
91.05462	1.0
91.97502	0.3
95.04941	0.6
95.45358	0.3
97.02893	14.9
98.23200	0.4
99.04440	1.5
101.02368	0.6
103.05499	0.4
107.04957	2.7
109.02872	1.3
111.04417	0.4
111.83006	0.3
115.05473	0.7
117.03381	10.4
118.03724	0.3
119.04927	1.2
119.94136	0.3
123.04431	0.4
127.03928	1.8
130.04109	0.4
130.05016	0.8
133.02855	0.7
134.03629	0.4
135.04417	20.5
136.04730	0.9
137.05972	2.5
145.02852	13.7
145.04779	0.5
145.06511	0.6
146.03171	0.4
147.04405	1.3
147.35353	0.3
149.05977	0.8
150.06740	0.9
151.03851	0.3
152.14333	0.6
158.03651	0.6
163.03903	100.0
164.04227	3.2
164.07048	1.6
165.06917	0.3
173.06012	1.3
175.03943	1.0
176.06139	0.6
177.07002	1.5
181.05016	2.8
181.06519	0.4
183.08206	0.3
186.03148	1.9
188.18134	0.3
189.05486	0.4
191.08191	1.8
194.07286	1.2
201.05478	5.5
202.05879	0.3
204.05734	0.4
205.06471	3.5
207.08089	0.4
211.07739	0.4
219.07912	0.4
221.05974	1.5
222.06784	2.3
223.07500	0.4
233.05997	3.6
234.06612	1.0
235.07545	0.7
237.09120	1.7
239.07010	0.4
247.07552	0.8
249.05519	1.4
250.06226	2.9
251.07010	0.5
261.05374	0.6
264.07919	1.5
265.08646	4.0
266.09332	0.4
267.06573	0.6
277.05063	0.4
278.05661	1.7
279.06458	0.4
279.10129	0.4
281.07990	0.6
281.18689	0.4
282.08630	0.4
292.07275	2.8
293.08090	4.7
294.08673	0.5
295.05954	0.4
297.11133	0.9
307.09979	4.6
310.08450	0.8
323.83499	0.3
325.10434	5.5
325.21045	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11554	0.7
53.03959	1.5
54.33512	0.6
55.01862	1.4
57.03432	4.3
61.02932	3.5
63.70210	0.7
64.00803	0.7
69.03432	16.0
69.64618	0.7
71.04982	1.4
71.10286	0.9
71.10651	1.2
71.27654	0.7
73.02917	1.5
79.05486	1.6
81.03417	5.7
85.02904	39.7
86.03225	0.7
87.04464	1.2
89.03914	7.4
91.03960	1.7
91.05483	1.6
95.04991	0.9
97.02888	22.3
97.03516	1.1
99.04456	3.3
101.02358	0.9
104.43146	0.6
107.04943	2.4
109.02889	4.2
109.10112	0.7
115.03915	1.1
117.03382	9.7
121.02843	1.7
126.05492	0.7
127.03905	8.6
135.03389	1.0
135.04417	20.2
136.04680	0.8
145.02852	13.1
145.04947	9.9
147.04379	2.2
163.03902	100.0
164.04240	3.1
181.04918	2.5
182.11780	2.0
184.72885	0.8
209.77910	0.7
231.03021	0.9
233.05843	1.1
233.11452	3.7
234.12296	1.0
307.08392	1.9
325.09259	5.9
325.12320	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72614	1.5
53.03952	3.0
55.01862	2.5
55.05515	2.9
56.86195	1.3
56.96560	3.4
57.03441	10.6
59.05006	1.8
64.38393	1.2
65.03945	1.2
67.05508	1.5
69.03432	11.8
69.85178	4.6
70.06609	1.7
71.04994	5.9
71.08647	2.8
79.05495	4.6
81.03413	4.8
81.07066	8.1
83.08605	1.6
85.02426	2.6
85.02908	33.0
89.03908	3.1
97.02883	15.6
98.97559	2.0
99.04454	2.4
99.08094	18.3
107.04963	3.5
109.02881	2.7
109.06515	3.8
111.04459	2.7
117.03388	4.7
117.09135	100.0
118.09463	1.4
119.04961	1.5
120.99532	3.0
121.02869	1.4
122.84007	1.2
123.04435	1.6
127.03952	7.6
127.07548	6.5
131.01642	7.0
132.01933	3.1
133.01164	1.7
135.04430	12.7
137.06006	1.4
139.03934	4.7
145.02908	6.1
145.04993	4.1
147.04385	3.3
163.03912	50.5
163.09654	3.6
164.04286	2.3
172.94257	1.8
181.05022	2.5
204.04056	2.8
217.48279	1.2
267.79980	1.5
279.69632	1.3
282.98029	3.6
283.07986	1.4
300.99042	4.0
325.04892	2.7
325.09003	10.4
342.99838	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	325.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.6
55.05507	1.1
57.03431	1.5
58.60340	0.3
61.02919	0.5
61.33181	0.4
65.03922	0.5
65.11613	0.5
67.05492	2.0
69.03422	2.5
69.07041	0.9
69.56266	1.7
69.56673	0.9
71.04987	0.8
74.62004	0.5
79.05491	2.0
81.03407	1.3
81.07072	2.0
83.04983	0.7
85.02899	3.0
89.03919	1.8
91.05480	1.4
93.03406	0.6
93.07040	1.4
95.04938	0.6
95.08576	1.3
97.02879	2.9
97.06539	2.5
99.04455	1.0
105.07040	0.8
107.04951	1.8
107.08592	0.8
109.10184	0.7
110.29953	0.4
110.98019	0.5
111.04427	1.4
113.02388	1.1
117.03385	1.7
117.07027	0.4
119.04943	0.9
119.08572	1.0
121.06486	0.4
121.10106	0.6
123.04417	0.7
127.03902	1.0
130.04993	0.5
131.08569	0.7
133.10150	0.7
135.04448	3.6
139.03912	2.3
141.09132	0.4
145.02899	2.2
145.10106	0.5
147.04385	0.5
159.08020	0.6
159.11612	0.6
163.03909	17.9
198.18648	0.4
199.07544	0.5
213.05476	0.7
219.08061	0.9
225.09071	0.6
229.08821	0.5
237.09106	1.6
265.08652	1.4
281.11685	0.8
283.08240	1.1
325.16214	100.0
326.16592	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	325.201
Annotation	Albocycline M-7
Peak:m/z	Relative Intensity
53.03931	6.5
53.77030	2.6
55.01881	16.5
55.05511	71.2
57.03437	37.7
57.07065	5.6
57.81504	2.7
59.05005	3.3
64.16878	3.2
64.41092	2.7
67.05505	75.8
69.03419	16.4
69.07069	24.5
69.87078	7.4
69.87457	6.0
71.04992	10.8
73.75522	2.8
77.68491	2.5
79.05498	61.6
81.03406	11.8
81.07065	44.4
83.04976	11.8
83.08620	27.1
85.06541	5.8
91.05485	36.7
93.07044	44.6
95.01322	9.7
95.04964	40.8
95.08604	23.9
96.08121	3.1
97.02917	4.7
97.06533	65.0
97.10169	48.3
105.07028	28.3
107.04951	25.4
107.08586	37.9
109.06516	22.1
109.10165	27.0
111.04465	6.6
111.08093	4.9
114.22912	2.8
115.05422	3.0
117.07013	12.6
119.06047	2.5
119.08578	23.7
119.95104	2.7
121.06519	18.9
121.10142	12.0
123.04434	6.5
123.08079	14.3
123.11713	3.6
125.06004	9.6
125.09631	41.0
128.06210	4.3
129.06999	11.0
131.08565	14.1
133.06493	5.8
133.10124	10.7
135.04356	3.9
135.08044	31.8
135.11717	7.3
137.05984	2.9
137.09599	17.2
137.78906	2.7
141.06950	4.0
143.08530	6.9
145.06471	6.6
145.10117	11.4
147.08051	11.5
147.11676	12.6
149.05922	2.9
149.09631	4.7
153.06926	3.5
153.09114	4.3
155.08534	10.8
157.10126	10.8
159.06790	5.9
159.08057	84.8
159.11652	7.1
160.08443	3.7
161.09631	10.8
163.03873	6.2
163.07539	15.9
169.10165	7.5
171.08040	5.2
171.11693	3.0
172.08846	6.4
173.09628	11.8
173.13216	3.1
177.09129	7.0
183.08086	7.4
183.11728	4.0
185.05931	4.5
185.09631	9.4
187.14772	3.8
189.11253	21.5
197.09668	5.4
199.07553	3.9
200.08252	7.4
201.09070	12.4
204.20357	2.6
207.11806	3.0
207.68192	2.8
215.14294	4.9
223.14731	2.9
225.12625	4.1
228.07823	6.8
229.08546	7.6
233.15308	18.2
237.12735	3.1
237.14917	9.6
243.17477	4.4
251.16437	4.3
253.15933	22.1
261.18494	8.6
263.16476	7.1
271.16867	40.7
275.20120	7.0
289.17981	100.0
290.18347	4.9
297.14722	8.1
307.19049	64.7
307.22641	5.9
308.19287	5.2
325.14377	27.3
325.20651	26.4
326.21249	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.201
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03939	20.8
53.56625	4.6
55.01861	13.9
55.05283	5.4
55.05515	72.8
57.03431	19.0
57.07063	5.1
59.04980	6.8
64.21394	5.3
67.05188	5.9
67.05506	67.6
68.99796	10.3
69.03429	9.7
69.07068	27.0
71.04999	30.8
71.29761	6.2
72.08154	5.4
74.50523	4.8
78.83169	5.7
79.05073	7.0
79.05495	81.3
81.03418	45.8
81.07053	75.9
83.04990	100.0
83.08613	24.9
91.05488	60.1
93.07048	76.6
95.04979	37.8
95.08601	58.0
97.06544	47.6
97.10162	24.2
98.97591	11.4
99.04424	6.5
99.08093	6.5
103.05481	7.0
105.07034	85.7
106.07349	19.1
107.04957	31.1
107.08592	47.8
109.02896	6.2
109.06532	17.2
109.10159	37.1
111.04440	15.4
111.08075	9.8
117.07005	21.6
119.08607	43.6
121.06515	17.4
121.10139	18.6
123.04398	7.7
123.08070	31.8
123.11713	7.1
125.06008	19.6
125.09621	16.8
127.09280	4.9
128.06226	7.4
129.06992	19.8
131.08566	20.3
133.06490	27.7
133.10106	31.6
134.06795	13.0
135.08057	51.8
135.11681	17.1
136.08380	21.4
137.09573	7.0
139.07574	7.4
141.06996	6.9
143.08563	12.7
145.06503	10.9
145.10114	22.4
147.08060	9.4
147.11702	15.1
149.09613	11.0
151.07486	12.6
151.11203	9.8
157.10158	16.4
159.08026	12.1
159.11688	16.2
161.09639	7.4
161.13243	5.8
163.03839	7.4
163.07538	18.4
163.11185	16.6
167.08536	9.3
169.10126	13.7
171.11673	17.2
173.09650	10.2
173.13272	8.8
177.12822	10.3
185.13242	6.3
187.11140	10.3
189.11253	7.4
191.14308	7.5
195.11707	14.2
197.13258	8.8
199.11159	10.5
205.15898	7.7
207.11766	5.3
207.13722	12.9
209.13251	10.3
213.12631	6.7
219.13890	6.7
223.14906	8.5
225.14781	7.7
227.14276	6.8
233.15373	20.6
235.13252	6.8
243.17395	9.2
243.74400	5.2
251.14351	7.6
261.18518	22.1
263.16437	17.4
271.16876	12.8
280.18130	14.7
289.17966	96.4
307.19263	21.3
325.09570	6.5
325.14133	10.1
325.21729	26.5
327.97321	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	19.9
55.01865	9.2
55.05508	44.3
57.03432	12.5
57.07076	2.8
64.01223	2.9
65.03951	3.6
67.05502	65.4
69.03424	7.8
69.07070	18.9
69.92814	11.8
71.01359	2.8
71.04990	35.5
73.02924	3.5
79.05492	52.6
81.03419	40.7
81.07052	100.0
81.07530	5.6
83.04980	37.5
83.08611	13.0
85.02900	3.5
85.06531	5.1
86.87081	2.8
91.05469	43.8
93.07043	47.8
95.04968	35.1
95.08598	51.2
97.06564	14.0
97.10177	8.5
99.04451	3.8
101.06063	3.3
103.05456	3.0
105.04556	4.1
105.07025	40.3
107.04948	24.6
107.08598	28.4
109.02887	4.0
109.06521	31.1
109.10169	12.8
111.08091	9.1
113.06001	3.3
115.05451	3.2
117.07018	12.6
119.04913	4.3
119.08606	24.1
121.02202	2.9
121.06459	15.3
121.10138	19.2
123.04458	4.1
123.08083	20.2
125.09599	7.3
128.06247	5.6
129.07030	9.5
131.08530	23.3
133.06523	6.2
133.10133	12.5
135.08070	13.3
135.11681	13.0
137.05965	4.7
137.09624	9.7
141.07013	7.9
142.07790	5.3
143.08580	15.4
145.06473	10.3
145.10086	17.4
147.08069	10.7
147.11726	9.6
149.09605	5.5
151.11075	3.5
155.08476	4.9
156.09377	3.6
157.10130	14.1
159.08041	10.6
159.11700	13.4
161.09612	10.6
161.13225	5.4
163.03796	5.7
167.08525	5.1
169.10133	11.3
171.11670	9.0
173.09636	8.5
173.13234	7.7
175.11278	3.7
177.09222	3.6
177.12766	8.2
179.08557	4.1
181.10086	5.0
183.10190	6.9
183.11714	8.7
185.09645	3.8
185.13155	3.2
187.11154	8.3
187.14748	2.7
189.12724	4.1
193.10139	5.0
194.10887	3.6
195.11757	5.4
195.13721	4.9
197.13254	6.7
199.11250	3.6
199.14873	3.9
201.12738	3.3
207.11865	6.3
207.13802	13.8
207.50200	3.5
208.12512	3.2
209.13214	3.7
211.14784	5.2
219.13829	6.2
223.13106	4.9
223.14992	4.5
237.14906	5.7
238.72366	2.8
241.14406	3.4
243.17499	6.4
249.14919	4.1
249.95212	2.9
251.14290	5.3
261.18433	10.6
263.16418	3.9
265.19608	3.3
271.16940	18.3
280.07523	3.5
289.17950	53.1
297.22501	3.3
307.19949	8.8
325.20276	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	325.201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	4.7
53.03942	12.6
55.01875	46.1
55.05505	39.9
57.03444	30.6
57.07056	4.7
57.58450	4.5
58.69025	3.8
60.93343	4.0
65.03934	7.6
67.05504	93.1
69.03418	8.0
69.07076	31.5
69.08558	15.4
69.08987	19.4
71.04994	6.4
73.51079	3.9
79.05068	7.6
79.05496	97.0
79.65302	4.3
81.03418	15.1
81.07056	89.9
83.04982	43.4
83.08613	12.3
85.06542	9.7
90.51641	3.9
91.05481	89.4
93.06549	6.5
93.07051	67.3
95.04961	81.2
95.08605	50.2
97.02890	18.6
97.06522	12.5
97.10178	9.8
98.07307	5.8
105.07031	50.9
107.04961	100.0
107.08603	39.7
108.05757	8.7
109.06518	48.3
109.10152	21.4
111.04446	10.7
111.08099	4.7
112.05241	12.6
115.05486	11.7
117.07021	42.5
119.04916	7.4
119.08578	34.3
120.05678	5.3
121.06496	27.0
121.10149	16.6
122.07294	37.2
123.04436	15.2
123.08066	13.3
123.11669	8.5
125.05974	6.2
125.09644	7.3
128.06186	6.4
129.06995	14.8
131.08582	41.9
133.06502	26.2
133.10139	13.3
135.08058	18.9
135.11690	15.7
137.09598	25.9
141.07024	6.4
143.08551	13.8
145.06493	18.2
145.10167	26.1
147.08031	31.3
147.11707	8.1
148.08708	4.9
149.09673	10.0
151.07556	6.9
159.11729	13.3
161.09584	22.9
161.13280	4.2
163.11206	10.7
165.09149	9.4
167.08495	6.5
169.10115	7.5
171.11633	11.7
173.13310	13.2
173.55772	4.1
175.11153	4.6
185.13277	5.3
187.14752	12.1
189.12762	5.1
190.08051	4.6
205.15817	9.4
213.16267	3.9
215.14380	16.5
215.17816	5.0
233.15367	92.5
234.15724	6.4
251.16432	18.1
273.18460	11.9
290.18738	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	325.2008
Annotation	Albocycline M-7
Peak:m/z	Relative Intensity
53.03947	4.1
53.39548	2.6
55.01872	13.0
55.05511	36.2
57.03432	18.9
57.07071	5.4
64.21786	2.6
67.05506	29.3
69.03433	7.4
69.07069	29.3
69.36381	2.6
70.06619	3.4
71.04990	5.7
71.08646	4.6
75.37140	2.7
77.20735	2.5
79.05494	44.6
81.03419	9.8
81.07053	44.4
83.01339	8.2
83.04989	18.6
83.08617	25.0
85.02914	6.4
85.06538	6.1
91.05479	23.3
93.07034	32.1
95.04977	12.2
95.08591	27.1
97.02928	3.6
97.06526	100.0
97.07145	4.9
97.10183	15.0
99.04504	4.1
105.07033	15.2
107.04964	7.5
107.08600	24.8
109.06528	9.6
109.10139	18.2
111.04425	14.4
111.08083	12.7
114.05547	4.6
117.07041	10.0
119.08577	22.4
121.06491	8.8
121.10162	13.7
123.08077	12.2
125.05992	3.3
125.09610	15.7
128.06279	4.1
129.07010	6.2
131.08566	8.2
133.10129	8.5
135.04399	3.4
135.08025	7.7
135.11707	11.6
137.09645	8.9
139.06567	2.9
141.07018	4.7
143.08574	8.5
145.10138	16.5
147.08025	5.7
149.09644	7.2
153.07013	5.6
153.12778	5.1
155.08553	13.7
157.06604	3.8
157.10110	6.4
159.08083	6.7
159.11784	3.8
161.09628	3.6
163.03902	13.4
163.07568	3.5
163.11205	29.1
165.07013	5.5
169.10188	4.1
171.08076	8.7
173.05916	4.4
173.09648	10.6
175.14769	3.2
181.06450	6.0
181.12175	14.0
183.08078	12.2
185.05968	8.3
187.17792	3.1
189.11209	6.0
191.10707	11.0
197.06056	3.7
197.09612	5.0
199.07573	6.0
200.08218	4.3
201.09120	13.8
209.05963	3.6
209.09914	4.7
209.11693	22.4
211.07524	19.8
213.05449	6.2
225.09073	7.6
227.07051	5.3
227.12723	20.2
228.07767	4.8
229.08636	11.7
235.16963	3.8
239.07008	7.1
245.15393	3.0
253.12244	5.5
263.16345	13.3
279.13666	3.4
281.11740	12.4
281.17303	3.9
289.17950	14.1
297.14853	11.7
307.13312	4.0
307.19055	18.8
307.22122	2.8
307.26263	2.8
325.10596	7.0
325.14209	49.2
326.14697	5.4
328.52124	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2009
Annotation	Dinor-PGD2
Peak:m/z	Relative Intensity
51.02385	3.4
53.03949	9.6
55.01867	9.4
55.05520	27.2
57.03435	36.6
59.04979	3.2
62.96836	3.0
65.03938	3.3
67.05509	54.3
69.03430	8.2
69.07062	30.5
69.68817	9.0
71.04989	7.5
79.05495	52.2
81.03410	22.2
81.07064	49.3
83.04967	19.4
83.08613	19.9
85.06535	8.3
89.16786	2.7
91.05482	36.0
91.89680	3.2
92.26443	2.8
93.07046	39.8
95.04972	22.6
95.08615	21.3
97.02859	3.9
97.06538	100.0
97.10177	19.2
99.04478	4.6
99.08109	4.1
105.04642	3.1
105.07025	37.0
107.04981	21.2
107.08595	32.1
109.06513	13.8
109.10163	21.9
111.04421	10.5
111.08080	9.6
113.06029	7.6
117.07020	14.9
119.08587	22.3
121.06524	15.5
121.10162	15.8
123.04413	7.5
123.08061	20.0
123.11705	3.2
125.05973	17.3
125.09640	12.9
131.08557	13.1
133.06496	4.3
133.10127	21.6
135.08051	16.2
135.11699	9.8
137.09615	8.3
143.08565	7.5
145.02831	3.0
145.06496	6.5
145.10130	9.6
147.08012	8.2
147.11662	6.1
149.09630	4.4
151.07545	5.1
151.11223	6.2
155.08556	6.5
157.10129	7.9
159.08081	29.4
159.11708	11.8
161.09604	7.1
163.03926	7.4
163.07384	3.1
163.11198	3.5
169.10153	4.7
171.11748	6.0
173.09627	8.6
177.09059	3.9
177.12794	6.3
183.08105	3.6
185.09663	3.4
187.11243	11.4
187.14880	4.1
189.11211	5.9
200.08395	3.6
200.14348	13.3
201.09128	4.7
211.11362	3.6
215.14337	7.4
229.08569	5.2
233.15399	30.3
241.14389	9.0
243.17323	5.6
251.16440	11.3
253.15880	5.5
261.18509	9.9
271.16937	32.9
289.17981	74.0
290.18320	3.6
297.14905	5.6
307.19019	29.5
325.14355	17.7
325.20383	16.8
326.24820	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	325.2009
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03948	8.2
55.01881	14.3
55.05515	30.2
57.03434	8.8
57.07067	4.3
57.30038	2.7
58.07333	3.3
67.05504	56.8
67.61777	3.2
69.03437	7.9
69.07064	24.8
71.04985	14.5
71.28928	4.9
71.29317	3.1
79.05490	41.6
80.05788	3.3
81.03435	10.2
81.07063	53.2
81.86393	2.9
83.04983	11.3
83.08617	12.8
85.02913	3.3
85.06544	6.0
91.05479	42.2
93.07050	43.6
95.04971	18.8
95.08598	26.4
97.06531	100.0
97.10191	9.3
99.04445	4.3
99.08122	5.3
105.07024	46.0
107.04964	6.3
107.08584	29.5
109.06528	13.4
109.10149	48.1
110.56104	2.8
111.08102	12.2
113.06038	3.7
115.05447	3.3
117.07011	12.3
119.08566	14.4
120.09087	3.0
121.06529	8.0
121.10178	12.5
123.04472	3.9
123.08089	12.9
123.11739	8.5
125.05975	4.0
125.09663	8.9
129.07034	8.5
131.08575	13.9
133.06509	5.0
133.10129	45.7
135.08093	14.6
135.11726	4.9
137.06004	4.6
137.09581	7.9
143.08534	4.3
145.06473	4.3
145.10100	9.3
147.08054	7.0
147.11681	5.0
148.26123	3.1
149.09651	7.3
151.07521	6.0
151.11179	22.0
153.09138	4.4
155.08562	4.7
157.10152	6.0
159.08038	5.0
159.11725	8.3
161.09669	9.8
163.11180	5.0
169.10208	5.6
169.12277	7.2
171.11684	4.2
173.09625	8.2
173.13226	3.7
175.11230	4.3
177.12704	4.0
183.11716	4.6
185.09613	3.3
185.13245	3.9
189.12781	3.8
193.10240	6.1
193.12178	5.2
197.13229	4.4
199.14825	4.4
201.12863	3.6
207.13782	3.0
220.12447	3.5
225.16434	4.6
235.13290	5.5
239.16438	4.8
243.17436	5.8
253.15588	2.8
261.18518	9.7
263.16440	9.6
271.17026	10.7
289.18002	38.0
290.18350	3.3
295.96893	3.0
307.18994	17.8
325.14111	9.3
325.21252	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	325.2159
Annotation	Erythrophloin E
Peak:m/z	Relative Intensity
51.80062	1.6
53.03940	7.0
55.01867	5.0
55.05509	19.2
57.03438	10.2
57.07063	10.2
59.05005	1.9
65.03932	4.6
65.56084	1.7
67.05505	89.8
69.03441	4.0
69.07061	16.0
71.04984	6.8
71.30715	2.5
72.74454	1.6
79.05490	67.5
81.03416	3.9
81.07053	100.0
82.07389	2.4
83.04963	4.3
83.08614	12.9
83.24746	1.7
85.06530	9.1
91.05479	35.1
93.07041	85.4
94.07365	1.9
95.04967	28.3
95.08602	72.8
96.68533	1.7
97.06534	14.6
97.10175	8.3
99.08092	7.8
103.05472	1.7
105.04483	2.2
105.07025	41.7
107.04939	2.8
107.08585	50.8
109.06542	9.4
109.10149	40.6
111.08051	4.0
113.09647	2.7
115.05389	1.8
117.07007	19.8
119.07772	3.0
119.08572	34.6
121.06468	5.8
121.10139	59.9
121.11027	3.4
122.10461	1.8
123.08047	6.7
123.11702	26.2
125.09609	4.7
128.06207	2.1
129.07008	5.1
130.07837	2.1
131.08575	29.8
133.06464	2.5
133.10132	29.1
135.08046	6.6
135.11688	56.4
137.09604	5.1
137.13251	6.8
137.35886	1.7
137.49904	1.8
139.11186	3.5
141.06999	3.0
142.07750	8.7
143.08540	10.6
145.06462	2.8
145.10109	37.7
147.08047	5.9
147.11673	15.9
149.09613	6.5
149.13242	21.6
151.11206	3.7
155.08545	9.6
156.09314	4.2
157.10121	15.8
158.10814	2.5
159.08028	3.6
159.11687	28.1
161.09613	5.4
161.13272	5.2
163.11154	4.5
163.14798	2.7
165.06998	4.0
166.07719	2.0
167.08560	5.5
168.09253	2.1
169.10143	13.9
170.10918	2.2
171.08022	1.8
171.11662	7.1
172.12537	1.8
173.09563	2.6
173.13225	15.7
177.12648	3.0
179.08551	5.1
180.09279	3.5
181.10092	8.1
182.10896	5.9
183.11674	7.8
185.09637	12.0
185.13248	5.8
187.11176	2.8
187.14743	4.8
189.12796	2.5
191.08566	2.5
191.17964	2.6
192.09315	3.2
193.10121	9.0
194.10954	4.9
195.11635	11.8
196.12482	2.1
197.13194	9.1
199.11136	4.8
199.14862	3.7
205.15858	1.9
205.19427	9.9
206.10858	4.7
207.11719	12.7
208.12434	4.0
209.13312	11.1
210.10458	2.5
211.14836	6.4
213.12737	6.1
213.16440	2.0
215.14468	3.1
215.17938	44.4
216.18137	2.7
218.10756	3.1
219.11615	4.7
220.12392	2.8
221.13266	5.1
223.14810	9.0
224.69370	2.1
225.12782	3.5
227.14282	6.3
233.13231	5.5
233.15495	2.6
233.19003	65.3
234.19405	2.2
235.14841	3.6
237.12759	3.1
237.16362	3.5
241.15895	6.0
247.14807	3.0
249.16272	4.8
251.14343	9.6
251.20129	4.6
259.14783	2.4
261.18576	3.0
263.18045	2.9
265.15790	3.5
269.15359	7.1
271.17200	2.2
274.17026	2.3
279.21103	4.2
289.19302	2.3
297.22165	4.8
307.20242	20.1
325.21213	48.8
326.21597	3.0
326.25012	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	325.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	33.2
55.05514	55.0
56.85550	7.7
57.03454	16.7
57.07074	22.6
57.15594	9.0
67.05503	85.5
69.03429	10.4
69.07070	65.9
70.23625	19.1
70.23969	12.6
71.04982	9.5
79.05487	71.3
81.07055	100.0
82.07428	10.4
83.04997	17.1
83.08627	29.7
83.93233	7.9
85.02894	14.6
85.06563	10.2
91.05488	38.4
93.07030	72.2
95.04949	23.9
95.08614	82.0
97.06534	31.3
97.10143	18.8
98.23368	10.7
105.07018	56.5
106.48302	7.9
106.89470	7.9
107.04966	14.6
107.08584	53.2
109.02118	9.3
109.06505	31.1
109.10168	36.8
110.83773	9.4
111.04487	12.7
111.08095	10.1
111.51753	7.9
117.07008	18.1
119.08559	42.1
121.06498	16.0
121.10145	28.5
123.08080	16.6
123.11706	23.6
131.08568	25.2
133.10130	40.4
135.11694	16.6
137.09633	21.8
143.08524	15.7
145.10190	24.0
147.11707	23.7
149.09648	15.8
155.08618	9.8
157.10147	13.9
159.11670	15.8
161.13225	10.4
163.11230	20.3
166.70992	8.1
173.13245	20.3
183.11656	16.3
184.65262	10.2
241.39070	8.9
263.20108	16.5
275.19968	47.3
293.21030	14.8
307.22690	9.8
325.21625	27.5
325.27356	11.1
325.31995	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	325.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	33.2
55.05514	55.0
56.85550	7.7
57.03454	16.7
57.07074	22.6
57.15594	9.0
67.05503	85.5
69.03429	10.4
69.07070	65.9
70.23625	19.1
70.23969	12.6
71.04982	9.5
79.05487	71.3
81.07055	100.0
82.07428	10.4
83.04997	17.1
83.08627	29.7
83.93233	7.9
85.02894	14.6
85.06563	10.2
91.05488	38.4
93.07030	72.2
95.04949	23.9
95.08614	82.0
97.06534	31.3
97.10143	18.8
98.23368	10.7
105.07018	56.5
106.48302	7.9
106.89470	7.9
107.04966	14.6
107.08584	53.2
109.02118	9.3
109.06505	31.1
109.10168	36.8
110.83773	9.4
111.04487	12.7
111.08095	10.1
111.51753	7.9
117.07008	18.1
119.08559	42.1
121.06498	16.0
121.10145	28.5
123.08080	16.6
123.11706	23.6
131.08568	25.2
133.10130	40.4
135.11694	16.6
137.09633	21.8
143.08524	15.7
145.10190	24.0
147.11707	23.7
149.09648	15.8
155.08618	9.8
157.10147	13.9
159.11670	15.8
161.13225	10.4
163.11230	20.3
166.70992	8.1
173.13245	20.3
183.11656	16.3
184.65262	10.2
241.39070	8.9
263.20108	16.5
275.19968	47.3
293.21030	14.8
307.22690	9.8
325.21625	27.5
325.27356	11.1
325.31995	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	325.2371
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
53.03939	3.1
55.01872	2.5
55.05511	15.0
57.03436	6.9
57.07075	8.9
65.03931	3.5
67.05503	98.3
68.05835	0.9
69.07069	11.8
69.11687	8.1
71.04987	5.9
71.08611	1.4
75.04449	1.5
79.05490	63.2
81.07053	100.0
82.07402	1.3
83.04984	2.5
83.08617	8.9
85.06538	6.2
91.05479	28.8
93.07039	71.6
94.07366	2.4
95.04972	6.1
95.08604	59.9
96.08933	1.8
97.06508	4.5
97.10172	2.9
99.08085	7.4
105.07028	22.3
105.07684	1.9
107.07860	2.1
107.08591	43.2
109.06512	2.5
109.10147	38.0
111.08064	3.1
113.09621	4.5
117.07006	12.1
119.08570	17.2
121.10133	52.8
122.10541	1.1
123.08057	1.9
123.11708	29.2
124.11998	1.1
125.09629	3.5
129.06979	1.6
131.08560	23.9
133.10118	22.0
134.10443	1.2
135.08066	4.2
135.11685	58.3
136.11990	1.6
137.09602	3.0
137.13229	6.3
139.11168	2.4
145.10120	19.1
147.11678	14.0
149.09615	4.3
149.13257	23.5
151.11186	2.6
157.10014	1.0
159.11691	23.4
161.13234	3.8
163.11189	3.3
163.14815	2.8
171.11740	1.5
173.13252	13.3
175.14807	3.1
177.12770	2.4
187.14807	4.5
189.16393	3.4
191.14204	2.0
191.17897	1.6
205.15897	3.4
205.19508	11.3
206.19850	1.3
215.17944	48.7
216.18333	3.7
233.18997	64.5
234.19371	2.9
251.20042	6.0
307.22745	7.3
325.23813	14.0
325.27841	1.2
325.29196	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.7
53.83002	1.7
55.05511	20.0
56.25499	1.9
57.03435	7.1
57.07070	9.5
65.03947	2.4
67.05507	96.3
69.07073	13.3
71.04992	6.8
71.08607	5.0
75.04484	2.8
77.03908	2.5
79.05493	73.9
81.07056	100.0
81.50546	2.4
82.07356	2.5
83.04951	2.6
83.08624	7.2
85.06551	8.0
91.05483	37.0
93.07044	96.2
95.04984	7.7
95.08607	60.2
95.09233	2.3
97.06519	4.5
98.23347	6.5
99.08096	8.2
105.07044	28.3
107.08598	48.2
109.06540	5.0
109.10159	38.5
111.08128	3.0
111.11691	2.5
113.09644	5.2
117.07018	16.0
119.08585	23.5
121.10145	62.6
123.08081	4.2
123.11699	24.2
125.09658	5.4
130.07806	2.0
131.08563	35.0
133.10159	23.4
135.08076	11.8
135.11694	63.8
136.08379	6.0
137.09569	2.5
137.13280	7.2
139.11151	4.0
143.08531	3.1
145.10112	25.1
147.11682	15.2
149.02245	2.3
149.09689	5.3
149.13261	27.4
151.11182	4.2
157.10223	3.0
159.11687	24.6
160.44016	2.2
161.13272	7.1
163.11180	3.2
163.14868	2.2
165.12816	2.6
173.13268	19.8
175.14842	3.0
182.12575	2.5
187.14857	6.0
189.16394	2.5
191.14282	3.4
198.21442	2.2
205.19528	15.5
206.19966	2.6
215.17966	51.6
216.18208	4.1
233.19008	75.0
234.19321	3.5
251.20050	5.2
307.22781	4.2
325.24033	17.0
326.34103	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	325.2371
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
50.61883	2.3
53.03937	2.9
55.01880	3.3
55.05513	19.1
57.03428	2.7
57.07059	4.3
57.27578	2.1
67.05505	15.5
69.03419	7.1
69.07069	24.5
69.58334	11.9
70.29076	2.6
71.05009	3.7
71.08627	22.8
79.05486	16.5
81.07063	35.2
83.04987	4.3
83.08618	5.3
85.02934	2.2
85.06551	2.6
91.05464	9.3
93.07059	18.7
95.04960	8.0
95.08602	23.1
97.06536	9.3
97.10168	2.6
99.08092	25.3
105.07033	13.6
107.04959	3.9
107.08601	15.8
109.06524	30.8
109.10173	12.1
117.07023	3.4
119.08575	9.7
121.06527	9.7
121.10153	8.9
123.08098	6.4
123.11715	4.7
131.08578	6.9
133.10127	8.0
135.08015	7.2
135.11714	3.2
139.11182	7.8
141.09088	4.2
143.08601	2.5
145.10155	6.3
147.11702	4.5
149.09694	5.8
159.08072	2.1
159.11742	3.8
163.11246	3.1
163.14784	2.7
165.12764	65.9
166.12964	3.9
167.14348	2.4
173.13240	3.7
177.12737	6.8
181.15898	17.3
191.14320	3.4
201.34366	2.3
202.93353	2.3
209.15398	3.7
216.75539	2.4
251.16440	5.9
261.22168	18.3
271.20706	5.3
279.23151	6.0
289.21637	44.6
290.22031	2.8
306.74234	2.8
307.22668	100.0
308.22949	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60431	1.9
53.03942	4.7
53.98894	2.1
55.01876	2.8
55.05507	18.9
57.03426	8.9
57.07068	9.6
59.04977	2.5
65.03928	4.7
67.05505	89.1
68.05827	2.3
69.03421	3.0
69.07073	15.9
71.04984	3.6
71.08643	3.0
79.05492	60.1
81.03429	2.8
81.07054	100.0
83.04971	4.8
83.08611	11.5
85.06550	6.8
91.04957	4.3
91.05474	37.0
91.05998	2.4
92.05811	2.1
93.07042	84.0
93.07636	4.4
95.04960	19.2
95.08607	63.3
95.18703	2.4
97.06495	10.1
97.10178	4.8
98.23387	4.3
99.08098	6.1
105.07027	32.0
107.04919	2.3
107.08587	51.5
109.06522	5.9
109.10150	31.5
111.08094	3.3
113.09653	2.9
117.07023	16.4
119.08579	28.9
121.06493	5.1
121.10138	57.9
123.08104	5.4
123.11701	24.4
125.09600	5.8
128.06270	3.2
129.07022	5.0
130.07872	3.1
131.08565	30.6
133.06453	2.4
133.10124	24.7
135.08040	5.3
135.11688	50.0
137.09651	2.6
137.13277	4.0
139.11191	3.8
142.07799	7.4
143.08589	8.4
145.10097	30.1
147.11702	15.8
149.09666	5.7
149.13258	19.9
155.08591	5.3
157.10133	10.6
158.10696	2.3
159.08055	2.4
159.11691	24.7
161.09596	3.7
161.13254	6.1
163.11185	5.7
165.07022	2.8
167.08553	4.0
168.09286	2.5
169.10085	7.6
171.11662	4.4
173.09653	3.2
173.13260	18.2
177.12743	3.4
179.08560	4.6
180.09309	2.6
181.10123	7.5
182.10994	2.2
183.11703	7.4
185.09639	8.4
185.13239	4.3
187.11203	3.5
187.14819	4.8
189.16286	3.1
191.14403	3.2
193.10242	5.0
194.11075	4.0
195.11694	5.4
197.13298	8.1
199.14932	3.5
205.10104	2.6
205.19527	12.3
207.11719	7.3
208.12442	3.0
209.13240	6.4
211.14833	5.6
215.17940	50.9
216.18343	2.6
218.10822	3.0
221.13139	3.8
223.14786	6.4
225.12781	4.1
227.14339	4.2
233.13283	5.1
233.15450	3.6
233.18988	56.7
234.19373	3.4
237.16409	3.5
247.14732	2.5
249.16313	3.7
251.14423	5.9
251.20050	5.1
265.15799	3.2
269.15344	2.8
279.21048	2.9
287.17252	2.3
289.18137	4.3
307.17383	3.4
307.20065	14.7
325.20959	32.4
325.63297	2.1
326.21552	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.8
55.05512	14.3
57.03437	0.8
57.07065	0.9
67.05504	7.7
69.03423	1.6
69.07077	5.8
71.05003	0.6
71.08633	12.2
78.96940	0.6
79.05494	7.6
81.03390	0.7
81.07061	7.3
82.08169	0.6
83.04970	1.7
83.08614	6.4
85.06559	0.7
91.05468	3.4
93.07045	5.2
95.04992	3.5
95.08602	4.5
97.06558	0.8
97.10175	9.3
98.51057	0.7
99.08093	9.0
105.07038	2.7
107.04944	2.5
107.08601	5.6
108.05741	1.9
109.06514	2.0
109.10152	1.6
111.08067	1.4
117.07030	1.8
119.08628	1.7
121.06509	7.3
121.10136	2.1
123.08035	1.1
125.09636	9.7
126.44077	0.6
131.08562	2.0
133.10123	0.9
135.08051	3.5
135.11690	1.0
139.11131	0.5
145.10088	0.7
147.08020	0.7
149.13129	0.6
151.11153	1.7
153.09087	1.5
155.08649	0.6
156.22061	0.5
157.10110	1.0
159.08080	0.7
161.09673	0.8
164.11995	1.4
165.12732	1.4
167.10687	0.9
171.11740	0.7
177.12732	3.1
183.11615	0.7
191.14296	0.7
195.13809	0.9
197.13338	0.7
202.64124	0.6
203.12794	4.1
237.14827	0.9
247.20454	0.6
257.18994	1.3
275.20062	6.0
293.21103	100.0
294.21436	5.9
298.63834	0.6
307.22693	16.0
308.23138	1.0
325.21524	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32353	8.1
55.01874	14.3
55.05513	74.9
57.03439	23.6
57.07070	17.0
62.06106	18.1
65.75038	8.6
67.05508	98.2
69.07063	69.5
71.04990	14.6
71.08623	18.9
79.05502	66.2
81.07064	100.0
83.04987	18.6
83.08619	54.3
85.02888	10.8
85.10188	14.1
91.05477	57.4
93.07046	70.0
95.04953	25.8
95.08613	89.3
96.72104	8.5
97.06524	10.6
97.10178	20.4
99.08065	13.1
105.07037	54.3
107.04962	19.4
107.08595	41.9
109.06523	10.9
109.10163	57.9
111.04490	9.6
111.08086	20.9
117.07023	11.2
119.08596	22.1
121.06483	18.8
121.10133	45.7
123.08046	16.2
123.11702	23.1
125.09669	18.8
131.08554	21.0
133.06413	10.2
133.10153	71.1
135.08109	10.6
135.11697	25.8
137.09636	15.8
145.10124	31.9
149.09552	10.0
149.13228	13.9
151.11188	36.1
153.12737	14.4
157.10075	10.5
163.11179	21.8
171.11617	8.0
173.13338	9.2
181.12286	9.1
183.13803	17.2
195.13863	8.0
223.51263	8.8
239.17941	10.4
247.20584	27.6
257.19000	15.3
265.21686	9.6
275.20016	65.1
293.21069	75.6
307.23047	15.4
325.21652	23.0
325.27399	43.7
326.30563	9.7
333.91220	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	325.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.2
55.01873	15.8
55.05511	54.8
57.03434	12.0
57.07083	13.2
59.07377	2.3
65.03944	4.1
65.92096	2.4
67.05505	88.6
68.99822	3.0
69.03436	5.1
69.07069	45.6
71.05003	9.0
71.08628	12.5
79.05486	48.2
81.03418	8.7
81.07052	81.8
83.04985	12.0
83.08623	31.1
85.02917	3.7
85.06540	7.3
85.10192	8.9
91.05473	46.1
93.07049	53.7
95.04974	27.8
95.08605	52.0
97.02892	5.8
97.06555	14.0
97.10173	19.5
99.08123	6.0
103.76738	2.8
105.07035	36.4
107.04933	13.3
107.08592	46.4
109.06532	9.8
109.10156	41.6
111.04449	9.0
111.08091	9.9
113.09638	10.1
117.07045	11.6
119.08590	24.6
121.06510	15.4
121.10149	20.6
122.92567	2.8
123.08056	9.6
123.11711	12.9
125.09624	16.9
129.07047	3.2
131.08582	17.9
133.06599	2.6
133.10138	41.1
135.08037	5.9
135.11703	22.9
137.09642	14.9
139.07532	3.8
139.11203	6.1
141.09145	7.2
143.08524	3.1
145.10185	13.9
147.08046	5.1
147.11705	9.3
149.09647	13.9
149.13242	6.5
151.11171	34.3
153.12794	4.4
157.10098	6.0
159.11732	9.4
161.09639	5.4
161.13159	3.1
163.11179	12.7
165.12761	5.4
167.10713	4.7
169.10147	3.8
171.11607	2.8
173.13264	6.6
175.11147	3.7
175.14726	3.2
177.12830	7.7
179.10776	5.3
181.12299	11.2
183.13821	7.9
187.11250	3.6
191.14284	4.5
195.13921	4.5
197.13445	2.5
207.13867	3.4
214.45497	2.5
219.13744	3.9
229.19556	6.2
239.18033	4.9
247.20543	15.7
257.19058	12.1
265.21622	11.0
275.20081	54.0
276.20325	3.3
283.73685	2.8
289.21439	3.1
293.21109	100.0
294.21405	6.3
295.13303	11.3
307.22900	14.1
309.14767	12.8
310.15497	4.3
325.17993	62.7
325.23853	12.4
325.27145	22.1
326.18369	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	326.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65429	0.6
54.60981	0.5
63.43770	0.6
69.03416	1.0
70.39238	1.0
70.39563	1.0
80.04563	1.1
80.05016	12.3
80.56906	0.5
81.03413	0.7
97.02920	0.9
98.23357	0.6
98.98466	16.8
116.36250	0.5
124.07594	73.8
125.07927	2.0
143.03136	1.3
146.05779	1.4
174.99162	1.3
201.03725	1.1
201.65709	0.6
202.54572	0.6
203.05264	73.3
204.05652	1.3
233.05640	0.6
248.62897	0.6
252.95641	0.6
266.10168	0.9
300.99683	0.6
326.12097	100.0
327.12946	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	326.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	11.7
69.03430	21.2
69.86083	16.1
69.86440	5.8
81.03416	7.2
85.02917	23.0
88.38348	4.5
90.89054	4.9
97.02912	15.4
98.23265	5.3
98.97569	22.5
98.98476	100.0
99.04412	5.7
101.00903	5.3
101.06034	4.6
103.32636	5.4
110.97586	4.9
111.04431	8.2
116.98632	6.8
119.01931	10.4
120.00943	5.0
127.03919	5.8
146.05206	5.9
174.99194	6.5
240.50113	6.0
261.03027	10.7
284.00150	15.5
285.00046	5.3
302.01038	15.5
303.00787	12.6
307.40964	5.4
327.06384	5.7
344.02481	8.6
347.24734	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	326.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
54.98962	0.9
55.05519	8.7
57.03431	1.6
57.19799	0.9
61.02919	0.9
69.03427	5.7
69.23210	0.9
70.03751	1.9
70.06598	2.5
70.69262	1.7
70.69608	1.7
71.04995	1.7
79.05486	1.5
81.03416	3.4
81.07033	1.9
82.03774	1.1
83.08619	28.6
84.04474	1.0
85.02913	7.9
89.03916	2.2
89.07850	0.9
90.04244	2.1
91.05508	2.7
93.07036	1.4
94.06577	1.7
95.04974	1.7
97.02885	9.5
98.03220	2.3
98.23348	0.9
98.98467	100.0
99.04469	1.1
101.09676	2.2
107.04932	2.7
108.05299	1.6
108.08158	1.3
109.02875	2.0
111.08077	2.0
116.99513	3.4
117.03413	2.2
118.03722	3.1
119.04942	4.8
122.06035	1.9
123.04441	3.3
123.07989	1.1
127.03951	1.3
127.24815	1.0
129.09120	37.8
130.09416	1.0
132.08159	0.9
135.04401	4.2
136.04779	6.1
136.07573	1.1
137.05969	1.0
137.46918	0.8
145.02863	2.9
146.03116	4.5
147.04404	23.5
147.10164	6.9
148.04733	4.4
163.03911	22.5
163.05074	0.6
164.04236	27.9
174.99225	10.2
178.08638	1.5
182.05338	1.4
211.14972	1.0
217.69931	0.9
244.70767	0.9
249.73045	0.9
251.00269	1.1
265.57376	1.1
281.09116	1.5
308.08304	1.1
309.09552	1.8
326.09326	2.1
326.12592	1.7
326.15891	1.2
327.14041	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01873	1.6
55.05516	6.3
67.05502	1.5
69.02167	1.3
69.03435	6.8
69.07078	7.2
69.64478	7.3
70.03751	1.7
70.06587	4.5
81.03404	5.3
83.08621	20.0
84.04501	2.0
85.02886	10.6
86.03243	1.9
87.04512	1.5
87.08104	5.4
91.05488	7.3
92.05788	1.5
93.07048	3.2
95.04946	2.6
97.02863	6.9
98.03203	2.3
98.98467	100.0
107.04948	2.5
109.02892	1.8
111.08085	8.9
116.99543	1.8
117.23269	1.3
118.03719	2.2
119.04936	14.4
120.05273	3.0
123.04433	6.8
127.03183	1.6
127.03983	2.6
129.09111	45.6
135.04417	4.5
136.04709	4.7
136.07553	2.7
137.05972	1.8
145.02919	2.2
145.04922	2.5
146.03186	3.4
147.04407	49.5
147.10159	9.1
148.04765	7.3
163.03922	13.5
164.04251	25.9
164.07082	1.5
165.05472	6.9
174.99248	10.7
178.08633	2.0
180.10188	6.3
184.13316	1.9
192.55609	1.4
197.75447	1.3
308.08487	2.5
309.09741	1.5
326.09061	1.3
326.12241	21.0
327.14072	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	327.105
Annotation	Unknow
Peak:m/z	Relative Intensity
62.33411	0.5
68.96117	0.6
69.03427	1.0
69.72827	0.7
69.73166	2.3
70.99145	0.5
85.02917	1.0
95.04990	0.6
98.98470	71.7
99.04458	0.6
116.99488	1.3
125.04483	0.5
138.05487	0.5
147.04346	1.1
165.05240	100.0
166.05507	2.1
174.99210	6.9
185.04201	9.3
186.69009	0.6
203.05302	1.0
250.99998	0.9
327.10501	49.9
328.10736	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29596	0.4
55.05499	0.4
56.80359	0.4
65.22942	0.3
67.05502	0.6
69.03425	0.7
70.41975	0.9
71.04991	0.5
71.78018	0.4
81.03412	0.9
85.02911	0.6
95.04959	0.7
98.98470	100.0
99.04460	0.6
109.02879	0.4
116.99509	2.9
118.21793	0.4
127.03904	0.7
132.04475	1.1
137.09651	0.4
138.05484	0.7
147.04347	1.6
151.06139	0.6
163.91052	0.4
165.05244	59.5
166.05405	1.2
167.06584	0.4
174.99242	10.7
185.04218	6.2
189.05850	0.7
195.00981	0.5
203.05301	0.8
251.00058	1.5
283.11523	1.7
302.12344	0.5
326.53806	0.4
327.10510	45.5
328.10709	2.0
331.53995	0.4
345.13092	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1072
Annotation	p-Coumaroyl-D-glucose
Peak:m/z	Relative Intensity
56.96568	4.6
57.03435	0.4
57.07061	0.6
57.60717	0.3
61.02927	0.6
62.69508	0.4
65.03936	0.4
69.03426	3.4
69.55753	0.3
71.01372	0.6
71.04993	0.4
72.08166	0.5
73.02907	0.5
81.03424	1.8
85.02898	3.4
89.00509	0.3
91.05476	5.1
95.04964	1.7
95.06096	1.3
97.02895	4.4
98.98466	100.0
99.04449	0.7
103.07578	0.5
107.04947	4.0
109.02895	0.7
110.97559	0.5
115.03965	0.5
115.79206	0.3
116.98621	1.1
116.99512	2.9
119.04944	12.1
123.04424	7.4
124.04762	0.4
127.03926	2.1
130.50497	0.4
137.06033	0.4
145.04950	0.7
147.04405	42.6
148.04784	1.4
148.06354	0.4
148.07555	0.6
151.00690	0.4
165.05431	2.1
166.08652	0.9
170.08095	1.2
170.99692	1.4
174.99231	10.6
187.02763	0.8
189.00731	1.4
190.95399	0.9
205.03769	0.6
205.05534	0.4
205.73404	0.4
213.00740	0.9
223.35048	0.4
225.15953	0.9
231.01787	1.2
232.96327	0.7
249.02769	0.8
250.99942	1.8
284.23203	0.7
295.04395	1.2
309.09628	0.8
327.06851	2.5
327.10675	2.2
327.15533	0.8
328.13629	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.6
55.05505	17.0
57.03440	5.5
57.07074	11.4
59.19714	3.4
61.43815	3.5
62.71693	3.5
62.72227	3.2
67.05505	47.5
69.03430	5.5
69.07065	20.3
74.90360	3.0
79.05492	30.7
81.03376	4.4
81.07052	42.6
83.08619	5.4
83.46407	3.2
85.06541	5.2
91.05482	55.9
93.07043	100.0
95.04970	88.9
95.08602	71.4
95.09164	5.8
97.06532	19.5
98.98460	33.1
103.05472	5.8
105.07029	87.1
107.04955	5.8
107.08599	46.9
109.06528	11.2
109.10161	30.9
115.05489	8.1
117.07025	21.5
119.08586	74.5
121.06481	23.6
121.10139	47.1
123.08060	13.5
123.11696	8.8
128.06218	11.0
129.06998	12.1
130.07791	8.1
131.08571	42.1
133.10135	58.3
133.11066	5.4
135.08055	17.2
135.11703	15.4
137.09625	10.3
138.90154	3.1
141.06949	5.4
142.07838	17.8
143.08527	29.9
144.09346	11.5
145.06401	3.8
145.10129	53.4
147.08051	4.9
147.11720	15.4
149.09721	5.2
155.08554	11.8
156.09351	12.3
157.10141	40.5
158.10928	5.9
159.08026	7.3
159.11697	58.5
160.12369	3.9
161.09653	18.0
161.13216	7.2
167.08527	4.2
169.10126	19.3
169.15327	3.3
171.11714	25.4
172.12415	5.9
173.13255	19.1
175.11128	5.3
175.14844	28.7
179.08630	4.3
181.10086	9.0
182.10883	10.1
183.11678	12.9
184.12617	4.9
185.13315	13.9
187.11180	5.8
187.14815	21.9
193.10165	6.2
195.11763	7.5
197.13246	16.4
199.14857	15.6
201.16344	4.3
207.11626	5.9
209.13277	11.0
211.11142	3.4
211.14861	13.1
213.16452	7.7
215.14423	6.8
217.15906	7.7
220.12595	3.9
221.13168	4.1
223.14845	4.5
225.16293	7.7
227.14240	3.5
235.14746	7.8
239.18068	5.8
249.16556	4.2
253.15732	4.0
265.19724	5.2
291.21359	4.0
309.22107	14.7
313.33023	4.0
327.07764	4.5
327.23129	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	6.4
53.03939	14.0
55.01884	3.7
55.05511	15.4
56.51872	3.3
57.03433	3.4
57.07067	6.0
57.21257	3.3
60.28335	3.3
67.05506	35.4
69.04970	20.9
69.05390	10.0
69.07068	20.6
77.03944	8.0
79.05489	27.9
81.03415	4.1
81.07051	26.8
83.08616	7.3
91.05489	43.4
93.07048	70.6
95.04974	82.7
95.08611	53.6
97.06555	17.8
97.63033	3.6
98.98465	27.4
103.05475	4.2
105.04537	11.9
105.07037	72.3
106.39660	3.4
107.08601	44.5
109.06508	11.2
109.10155	25.0
115.05494	7.1
117.07005	22.6
119.08587	69.7
119.15514	3.7
121.06513	18.7
121.10144	31.3
123.08092	10.3
123.11713	10.6
128.06207	5.0
129.06999	9.5
130.07816	7.0
131.08562	31.4
133.10144	39.2
135.08028	8.9
135.11717	9.4
137.09634	4.8
142.07780	12.9
143.08598	18.8
144.09335	7.1
145.06522	3.7
145.10135	44.2
147.07977	4.4
147.11700	14.5
149.09558	3.8
152.06204	30.5
153.07054	17.1
155.08578	7.1
156.09393	6.5
157.10165	37.9
159.07991	7.4
159.11684	39.6
161.09599	13.0
161.13274	6.5
163.14876	4.2
168.05681	10.5
168.09337	7.0
169.10167	18.2
171.11685	17.1
173.13229	19.4
175.11301	5.2
175.14735	19.7
179.08578	4.5
181.10156	6.2
183.11742	12.4
185.13289	15.3
187.11223	6.0
187.14822	12.4
189.12737	3.5
189.16414	3.5
193.10121	5.0
194.10944	4.9
195.11699	6.4
195.91673	3.6
197.13289	13.1
199.14854	10.4
201.16412	4.0
205.15851	5.4
209.13283	7.8
211.14886	7.0
215.02573	6.1
217.15810	6.4
225.16400	9.6
228.09346	6.9
233.03674	31.5
235.14719	6.4
251.04688	12.9
299.76611	4.1
309.22055	12.0
327.07828	100.0
327.23120	25.0
328.08179	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	327.2318
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
53.03940	6.0
55.01872	8.5
55.05513	24.8
57.03431	8.2
65.03933	2.9
66.12539	2.0
67.05508	34.4
69.03430	8.7
69.07068	27.4
70.94138	2.2
71.05004	25.2
77.04018	2.2
79.05128	2.5
79.05500	28.1
81.03416	3.7
81.07051	25.3
83.04971	5.7
83.08619	3.8
87.79640	2.0
91.05476	45.6
93.07040	92.3
95.04967	65.5
95.08607	100.0
96.08962	2.6
97.06494	10.4
98.23426	5.5
98.98464	28.6
103.05457	3.0
105.07031	91.4
107.04947	6.5
107.07873	3.4
107.08594	70.3
108.08888	3.5
109.06523	14.8
109.10159	7.0
110.10557	2.4
111.08083	2.4
111.11673	2.6
115.05453	7.4
117.07015	36.8
119.06058	2.1
119.08575	31.6
121.06491	18.3
121.10153	21.5
122.07325	3.0
123.08064	22.0
123.11678	4.8
128.06271	4.5
129.06993	6.1
130.07793	18.6
131.08589	7.5
133.06456	2.7
133.10132	13.6
135.08055	58.9
135.11690	20.1
137.09628	4.0
143.08536	11.5
145.10120	93.9
145.11272	4.7
147.08072	4.6
147.11688	7.4
148.08766	3.2
149.09608	9.3
154.93033	2.1
157.10143	9.0
159.08029	5.1
159.11681	6.6
161.09607	6.9
161.13283	3.7
163.11177	79.6
163.14790	4.5
164.11552	4.4
165.12737	9.5
169.10126	3.7
171.11752	3.1
173.09622	4.1
173.13277	3.6
175.11259	3.6
175.14835	5.7
177.12798	3.2
181.10104	2.7
183.11601	3.0
187.11189	5.3
187.14828	3.3
191.14305	28.6
192.14711	2.1
193.15900	9.0
195.11690	2.9
197.13242	2.6
201.12837	2.1
205.15875	48.2
206.16393	2.4
213.12735	3.0
213.16447	2.3
217.15939	9.9
219.13712	2.5
247.16881	11.1
250.67941	2.7
255.17471	3.2
257.18903	3.2
258.19794	4.9
270.19763	7.5
309.22034	5.8
327.23181	93.4
328.23581	7.9
340.04398	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	327.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01873	15.3
55.05511	28.6
56.05833	1.1
57.03439	14.2
57.07079	9.5
61.95039	0.8
65.03962	1.1
67.05504	44.4
68.05819	1.4
69.07066	33.8
69.51806	5.1
71.04991	2.1
71.08628	4.1
73.02905	3.5
76.15869	0.8
79.05489	9.0
81.03425	2.2
81.07054	56.9
83.05000	1.4
83.08616	20.4
85.10192	1.9
91.05489	5.0
93.07057	6.3
95.04979	1.7
95.08604	61.7
96.08950	1.5
97.06554	1.5
97.10175	11.7
98.22710	1.9
98.98464	26.8
105.07009	2.4
107.08594	3.2
109.06553	1.5
109.10151	26.3
111.11734	3.3
119.08578	2.4
121.10137	3.2
123.08052	0.9
123.11706	10.2
125.09657	1.1
125.13206	0.9
127.07575	1.3
129.05492	4.0
133.10127	2.5
135.11697	3.6
135.76086	0.9
137.09622	1.4
137.13231	4.7
140.79567	0.8
143.08417	0.9
147.11745	1.7
151.14830	3.1
161.13329	1.5
174.99261	2.9
193.19368	1.2
207.21103	0.9
235.20523	2.2
244.90735	0.8
253.21774	0.9
298.44861	0.9
309.24243	1.9
327.25281	100.0
328.25562	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	327.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65029	1.2
53.03942	2.0
55.01893	2.2
55.05510	19.3
56.99017	1.2
57.03434	7.2
57.07079	9.3
65.03960	1.2
67.05506	47.7
69.07067	26.5
70.17399	3.7
71.04996	6.3
71.08639	3.5
74.03575	1.3
78.31052	1.3
79.05495	17.7
81.07057	52.6
83.04991	3.0
83.08623	16.2
85.06554	4.0
86.19291	1.2
91.05486	16.6
93.07050	19.9
95.04961	2.2
95.08608	51.6
97.06551	7.4
97.10168	9.1
98.22691	2.3
98.98469	100.0
99.08112	3.6
103.03925	3.1
105.07043	11.1
107.08614	9.9
109.10158	23.4
109.60311	1.3
111.08097	3.9
111.11718	3.3
113.09651	2.9
115.79651	1.3
116.99515	3.0
119.08583	10.9
121.10141	16.4
123.11703	10.8
125.09601	2.2
127.11255	1.6
129.05499	1.8
133.10130	15.8
135.11703	14.3
137.09659	2.7
137.13235	8.0
139.11194	2.2
147.11690	8.5
149.13258	4.6
151.11195	3.4
151.14812	6.9
153.12674	1.6
161.13229	9.2
174.99211	9.0
175.14861	5.2
189.16463	1.5
191.17967	1.8
217.19530	32.8
218.19962	1.6
235.20569	25.8
236.21011	2.2
250.99928	1.8
265.70081	1.4
271.22672	1.9
309.24304	11.0
327.25562	8.9
328.22427	23.6
328.25998	1.9
328.32019	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.01865	5.2
57.03437	10.3
61.02921	10.6
64.36285	1.5
68.66502	1.3
69.03429	37.9
70.31037	4.5
71.01344	2.5
71.05001	2.8
73.02928	7.5
78.85651	1.4
79.91881	1.4
80.05007	2.4
81.03425	10.3
83.01364	2.5
84.71375	1.4
85.02906	100.0
87.04450	3.4
91.03955	6.2
94.84331	1.3
97.02886	24.2
98.23311	1.6
98.98469	47.3
99.04453	10.8
101.02394	3.6
103.03967	1.5
109.02874	9.2
111.04447	2.1
113.02359	6.2
127.03915	61.3
130.04993	3.1
131.03413	8.8
145.04961	55.9
148.06024	2.2
149.04437	2.6
163.06042	11.5
173.04477	10.5
174.99115	2.5
180.08701	4.6
187.06209	1.7
197.04582	2.2
199.06006	3.0
239.05159	2.2
257.06552	12.1
275.07587	16.2
276.07910	1.8
281.53397	1.5
285.73529	1.7
310.11578	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	328.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.5
55.01871	3.7
57.03428	7.9
61.02921	8.0
69.03432	27.9
71.04987	3.2
71.28338	2.3
72.10769	1.4
73.02911	4.4
73.27798	1.7
80.05020	11.2
81.03419	8.7
85.02907	59.8
87.04485	3.6
91.03948	3.8
97.02892	19.5
98.98466	100.0
99.04455	5.5
103.03966	1.6
109.02883	4.5
111.04475	2.0
113.02366	3.2
116.99516	3.4
121.34724	1.5
127.03917	38.2
127.04900	2.0
128.04205	1.9
130.11752	1.8
131.03395	4.4
145.04961	36.0
146.05351	1.8
163.06001	6.3
167.02872	4.6
173.04492	6.5
174.81052	1.7
174.99228	8.7
176.03450	1.6
176.98882	2.2
196.07295	1.7
197.02455	5.3
222.40355	1.5
239.04942	4.1
245.04839	1.7
248.05621	2.6
257.06595	5.8
275.07681	11.5
310.11514	2.1
328.10144	2.6
329.02890	4.5
334.63553	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53760	7.5
54.72297	9.4
69.03424	36.8
69.85163	28.5
81.03414	18.7
85.02895	17.7
98.97598	23.4
98.98480	100.0
99.04445	9.9
101.00884	40.4
102.00989	39.3
119.01912	49.5
120.02018	54.5
121.01676	34.5
124.64941	9.6
139.02708	9.3
139.08696	15.4
146.03586	11.6
147.03275	12.1
148.01443	12.7
154.04131	25.9
155.03731	13.8
166.07251	10.2
167.08212	24.6
172.05167	13.8
173.04724	9.0
174.99275	12.6
189.02373	11.6
191.02274	11.0
198.03149	10.4
198.06819	21.5
216.04227	10.4
245.47063	10.1
328.08383	59.2
329.05338	15.9
329.13351	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
59.04999	9.7
62.46639	0.7
63.50722	0.7
63.92653	0.7
65.03962	1.5
67.05511	0.9
69.03425	2.3
71.04974	0.8
71.28254	1.1
72.08127	1.4
73.06554	18.9
79.05477	2.9
81.03403	1.6
81.07063	0.9
85.02899	3.2
86.09737	1.1
87.04467	1.1
91.05483	2.4
92.02654	0.9
93.03400	1.2
93.07044	2.1
95.04976	3.5
97.02878	2.0
98.98464	100.0
99.17036	0.9
100.98901	0.8
102.04679	4.2
103.05450	1.3
105.07021	1.6
107.04944	1.9
111.04452	0.7
116.07092	2.3
116.99500	2.0
117.09117	2.2
119.04913	2.6
120.05215	1.1
120.08118	1.3
121.02842	1.3
122.03670	1.4
130.04118	3.5
131.04883	2.0
131.10677	1.8
133.03088	0.8
133.06544	1.0
135.04431	4.4
137.05989	8.7
147.04404	6.5
148.04753	3.2
148.07565	1.2
149.05870	3.4
149.11722	10.3
151.03853	0.8
161.05974	4.6
162.06754	13.7
163.03909	8.2
165.05504	2.6
165.06853	0.8
166.08635	3.0
167.06848	1.8
168.04346	1.0
169.06357	1.1
174.99242	7.2
176.98856	1.7
177.05444	7.2
181.06473	0.9
182.07269	1.0
191.03415	1.5
193.06502	1.4
197.05994	1.3
203.05278	4.5
211.07419	1.1
211.63867	0.8
223.07666	1.1
225.08919	1.1
231.47144	0.8
237.05338	1.0
238.06223	1.1
251.07141	0.9
253.08739	0.8
283.09793	0.9
296.07034	1.1
297.07562	17.8
311.09064	2.0
329.10367	15.3
329.19214	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	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92593	0.8
55.05510	3.7
56.05035	0.9
59.17195	0.8
67.05518	5.5
67.20043	0.7
69.07070	2.8
69.99054	1.7
69.99395	1.6
79.05508	5.2
79.05898	1.0
81.07059	5.4
83.04996	1.0
83.08646	2.4
89.93126	0.7
91.05480	4.6
93.07055	6.1
95.04955	1.6
95.08630	3.1
97.06532	1.9
97.10192	1.6
98.09696	1.9
98.98467	100.0
105.07028	4.1
107.08623	3.9
109.06519	1.1
109.10184	2.4
116.99507	1.9
119.08606	3.3
121.10170	3.0
125.09692	2.0
131.08577	1.3
133.10110	2.0
135.11734	2.0
145.10185	0.9
147.11710	2.0
171.11752	1.0
172.13385	0.9
174.99254	6.7
175.99643	0.8
176.98949	3.4
189.11177	1.2
214.02467	0.9
275.20090	3.8
301.43286	0.8
328.35803	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98469	1.5
54.92543	1.5
55.01867	7.4
55.05514	52.1
57.03419	2.3
57.07089	1.8
59.04999	1.7
63.74318	1.6
67.05507	15.6
69.03423	6.7
69.07063	16.9
73.86842	1.9
79.05493	25.9
81.07065	18.9
83.04972	7.0
83.08624	32.6
85.06535	2.1
91.05493	11.0
93.07045	10.4
95.04964	1.9
95.08617	6.4
97.06544	2.7
97.09544	4.0
97.10173	63.8
98.22549	3.6
98.98468	100.0
105.07027	12.0
107.08595	69.4
109.06509	3.0
109.10173	3.9
111.08135	2.6
112.56906	1.8
117.07012	2.7
119.08586	6.1
121.10147	4.7
123.11758	2.3
125.09631	51.2
126.09953	2.1
131.08546	3.8
133.10114	8.6
135.08041	6.1
143.10672	4.6
144.67094	1.9
145.10112	3.9
147.11673	4.6
149.09683	4.0
153.09157	3.7
154.41545	2.1
157.10138	2.1
159.11691	3.0
161.13263	2.2
163.11290	2.0
168.05511	1.8
171.10197	5.2
174.99239	7.5
176.98921	3.0
181.12253	1.9
189.11217	73.6
230.02223	1.8
239.18063	1.9
257.19034	6.7
275.20056	49.5
276.20453	3.6
293.21030	2.8
328.24707	3.0
329.17212	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	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95015	1.7
55.05510	2.5
56.05045	2.2
67.05505	4.6
69.07082	3.4
79.05496	5.8
81.07069	12.3
83.08617	3.1
91.05485	3.7
93.07076	5.3
95.08630	2.8
97.06557	2.3
98.09716	7.8
98.98468	100.0
105.07030	3.2
105.41716	1.8
107.08589	4.3
109.10174	2.6
116.99534	2.6
119.08622	2.0
121.10186	2.2
123.08102	2.1
127.97172	1.8
133.10153	2.3
135.08055	1.9
135.11719	5.1
147.07910	2.1
149.13274	2.0
174.99283	7.7
176.98946	3.1
181.12274	3.5
208.14777	2.5
275.19888	2.3
328.35648	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2481
Annotation	9-nitro-9E-octadecenoic acid
Peak:m/z	Relative Intensity
51.53149	0.2
53.03951	0.6
55.01868	1.2
55.05510	13.2
56.05041	1.0
57.03426	0.9
57.05804	0.2
57.07071	2.5
59.04990	0.8
62.06091	0.6
67.05501	6.6
68.05031	0.3
69.03423	0.5
69.07066	15.8
69.19410	1.7
70.06589	3.2
70.07426	0.3
71.04974	1.2
71.07370	1.5
71.08629	1.1
72.07752	0.4
72.08150	7.9
73.06551	1.0
79.05487	4.7
80.05019	0.3
81.05785	0.4
81.07050	11.1
83.04980	1.3
83.07356	0.7
83.08614	12.1
84.04501	0.6
84.08137	2.8
84.08945	0.3
85.06548	1.1
85.10181	0.5
86.06063	44.5
87.06392	0.6
91.05480	1.8
93.07040	8.0
93.07632	0.4
94.06564	0.6
95.04967	1.0
95.07356	0.3
95.08603	5.4
96.07647	0.2
96.08125	5.8
97.06529	6.4
97.10163	2.6
98.06055	3.3
98.06706	0.4
98.09689	17.4
98.22620	0.5
98.98461	23.7
99.04460	0.5
99.08103	0.4
99.10018	0.4
100.07618	0.5
101.06024	0.7
101.09617	0.3
105.07016	1.4
107.04971	0.3
107.08591	5.3
108.08111	4.9
109.06522	0.6
109.10136	2.7
110.09704	1.4
110.10358	0.3
111.08072	2.6
112.07635	0.4
113.08385	0.4
114.09185	1.6
115.07559	0.5
116.10724	100.0
116.99531	0.7
117.07050	0.7
117.11081	1.6
119.08602	0.5
120.08065	0.4
121.08878	0.8
121.10138	2.5
122.09659	3.5
123.08012	0.3
123.11706	0.7
124.07590	1.7
125.09648	1.1
125.13251	0.7
126.09139	1.0
129.01793	0.2
131.08606	1.0
131.12071	0.2
133.10146	0.7
134.09647	0.7
135.08037	0.3
135.10492	0.3
135.11694	0.9
136.11200	1.1
138.09108	0.9
140.10695	0.7
145.10092	0.3
147.11623	0.2
149.13242	6.7
150.13583	0.3
151.11281	0.3
152.10704	0.7
154.12302	0.2
159.11713	0.9
161.05962	0.6
166.15874	0.3
167.14294	2.0
168.14764	0.2
174.99210	1.7
176.98987	0.8
177.05374	0.2
177.12695	0.5
185.09528	0.2
189.09146	0.6
195.13824	0.3
202.15919	0.3
205.04919	0.2
215.07091	0.4
231.15955	1.3
234.22147	0.2
238.18040	0.9
239.16376	2.5
246.18491	0.3
246.22252	0.4
250.21609	0.4
256.19162	0.4
257.17435	6.9
260.20010	0.3
262.21616	0.8
264.23245	1.1
268.22702	1.2
274.21710	1.3
278.21112	0.6
280.22678	0.9
292.22714	2.8
310.23730	14.0
311.24033	0.9
328.24783	92.4
329.17447	0.4
329.21527	0.3
329.25104	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	329.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01865	0.8
56.01428	0.5
56.72760	0.4
56.96920	0.7
57.03431	1.5
59.05009	0.5
60.87570	0.4
61.02915	2.7
69.03427	8.2
69.98966	1.0
69.99364	0.9
70.06585	0.5
71.04990	0.9
73.02903	1.7
81.03428	4.2
83.04975	0.7
84.04511	3.1
85.02909	12.6
87.04462	1.7
91.03965	0.8
97.02885	4.8
98.98466	61.2
99.04449	1.2
99.52680	0.4
109.02891	1.9
116.99500	1.3
119.23429	0.4
121.07658	0.9
124.90302	0.4
127.03925	3.0
138.07886	1.9
139.07603	0.5
139.08659	9.3
140.09010	0.4
145.04956	1.5
149.07072	3.3
151.08665	0.7
167.03247	2.3
167.08162	69.3
168.06589	0.6
168.08533	1.4
172.94302	0.6
174.99197	4.6
176.98878	2.2
185.04242	0.9
203.05290	0.6
252.99863	0.6
303.50815	0.4
304.98911	0.5
329.08453	100.0
329.12878	12.5
330.08691	5.3
330.11783	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19725	0.4
53.03943	0.9
54.00542	0.3
55.01880	0.6
56.01389	0.6
56.96570	1.5
57.03440	1.8
61.02926	4.8
63.48954	0.4
69.03431	12.0
69.07057	1.4
70.06597	0.8
71.04989	0.8
71.28673	0.5
73.02908	1.5
81.03423	4.8
83.05007	0.7
84.04500	4.8
85.02905	19.2
87.04469	2.8
91.03960	1.6
95.04960	0.4
95.06080	0.6
95.65710	0.4
96.04466	0.5
97.02893	7.5
98.98464	84.5
99.04449	2.2
100.98885	0.5
107.06067	0.6
109.02877	3.1
112.99802	0.4
114.78273	0.3
116.98667	0.6
116.99495	2.0
120.08152	0.4
120.12394	0.4
121.07645	1.3
127.03906	5.6
129.01846	0.4
138.07875	3.4
139.08664	13.5
139.36177	0.4
140.07053	1.1
140.08983	0.4
145.04988	2.7
147.04391	0.4
149.05901	0.8
149.07095	4.5
150.07874	0.4
151.08641	1.1
161.68686	0.4
166.08623	0.5
167.03305	2.8
167.08154	100.0
168.06560	2.2
168.08549	2.1
171.01601	0.4
174.35214	0.4
174.99213	6.4
176.98888	2.6
185.04187	0.7
190.95444	0.5
203.05263	3.5
232.96446	0.7
252.99733	0.5
258.97903	0.8
272.50696	0.4
303.00333	0.5
329.08325	84.9
329.12836	17.5
330.08725	3.5
330.12637	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27899	0.4
69.95690	1.4
74.28902	0.4
78.63955	0.4
91.05473	0.5
98.98466	47.1
104.69891	0.5
116.99502	0.7
121.06519	0.4
149.05736	2.1
159.39163	0.4
166.08620	0.6
167.06827	4.5
174.99236	3.3
176.98918	1.6
185.04288	0.4
203.05281	9.0
239.10907	0.4
285.13086	2.8
329.12070	100.0
330.12436	5.0
340.03604	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60965	0.8
60.27665	0.6
66.71149	0.6
69.03412	1.5
71.29098	1.1
72.17429	0.7
81.03430	1.1
85.02902	2.8
91.05515	1.0
93.07063	0.9
97.02878	0.9
97.06541	0.7
98.98469	100.0
107.04955	1.9
109.02866	0.7
109.25484	0.7
116.99480	2.3
127.03943	1.3
130.05034	0.8
137.06017	1.8
138.09152	0.7
149.06081	1.0
161.08199	0.7
167.06845	6.7
168.10258	1.0
174.65672	0.7
174.99246	7.2
175.07623	0.8
176.98979	3.0
185.04276	1.5
204.60188	0.7
252.99805	0.9
269.09961	16.6
270.10477	0.8
329.12076	82.8
330.12259	3.6
343.24850	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01865	0.5
56.01380	0.6
56.05024	0.6
56.96910	0.3
57.03442	1.9
57.32917	0.3
59.04965	0.3
61.02919	3.6
69.03426	10.8
69.07030	0.5
69.82758	0.6
69.83107	0.8
70.06583	0.7
71.01359	0.5
71.04981	1.1
73.02908	2.0
80.79578	0.3
81.03414	4.4
84.04501	5.1
85.02903	17.1
86.11559	0.3
86.12080	0.3
87.04463	2.5
88.46552	0.3
89.05934	0.3
91.03949	1.5
97.02895	6.9
98.98463	37.4
99.04456	1.8
109.02872	2.5
110.06049	0.3
116.98684	0.3
116.99493	0.9
121.07610	0.8
127.03924	4.6
138.07864	3.0
139.08662	13.9
145.04962	2.5
149.07083	4.5
151.03847	0.3
151.08662	1.1
157.58279	0.3
167.03143	1.3
167.08153	100.0
167.39186	0.3
168.06538	0.9
168.08502	3.0
174.99222	2.8
176.98914	1.3
185.04192	0.5
203.05293	0.8
329.08383	64.5
329.13229	19.1
329.47113	0.3
330.08762	3.4
330.12619	0.4
330.13913	0.3
340.24670	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
60.67935	0.4
66.51820	0.4
67.05527	0.8
69.07047	0.4
70.41430	1.0
71.40100	0.4
72.90478	0.4
79.05527	1.1
81.03430	0.7
83.04962	1.1
84.04454	0.6
85.02905	1.2
91.05472	1.1
93.07034	1.1
95.04944	0.5
95.08630	0.6
96.04487	1.0
96.71098	0.5
97.02863	0.5
98.06062	0.8
98.98464	61.7
105.07057	0.6
107.04945	1.9
107.08586	0.5
109.10155	0.5
114.05479	0.4
115.05478	0.4
116.99501	0.9
118.19125	0.4
121.02841	0.4
121.06493	0.9
124.07612	0.6
127.04000	0.5
128.03575	0.4
131.04933	0.7
135.04393	0.4
136.07567	1.2
137.05951	1.6
138.05458	0.4
147.56310	0.5
149.05940	1.6
150.09216	0.5
152.07072	0.5
161.05997	0.6
163.07520	0.7
164.10713	1.0
168.10193	2.4
174.95810	0.4
174.99223	4.6
176.98969	1.8
182.11757	2.5
186.11270	0.4
198.05251	0.7
203.05263	2.1
210.02451	0.5
237.36971	0.4
311.09570	1.0
311.13171	0.5
329.15680	100.0
330.05865	0.8
330.15997	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	329.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57543	0.6
55.05515	0.9
57.07063	0.8
61.55070	0.6
69.07052	0.5
70.06601	0.6
72.31580	0.6
81.07053	0.7
93.07048	0.8
98.98468	31.9
105.07043	0.9
106.08630	0.6
107.08591	0.7
109.10128	0.8
116.99505	0.7
158.42296	0.6
174.99226	2.1
176.98911	1.3
271.28085	0.6
312.32437	0.9
329.20859	100.0
330.21164	6.1
330.33636	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	329.2685
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
53.03934	2.1
55.01870	2.3
55.05513	69.5
56.05829	1.6
57.00368	0.9
57.03163	1.6
57.03438	30.1
57.07077	39.7
59.05000	1.4
67.05508	26.1
69.03413	1.8
69.07070	89.0
69.43416	5.1
70.07372	0.8
71.04979	3.5
71.08634	21.6
72.08964	1.0
73.06543	2.3
75.04477	2.4
79.05499	13.8
81.07058	38.0
83.04980	3.7
83.08621	60.4
84.08955	1.6
85.06541	3.6
85.10192	11.9
87.08126	1.0
91.05481	2.4
93.07040	21.2
95.08609	30.1
97.06529	16.1
97.10171	37.9
98.98473	8.8
99.08087	1.9
101.06035	2.2
107.08591	15.8
109.10153	14.6
111.08085	9.7
111.11730	8.7
115.07586	4.5
121.10146	22.0
123.11677	9.9
125.09634	12.8
125.13262	3.2
129.09131	3.4
135.11699	18.3
136.12021	1.2
137.13248	5.7
139.11203	10.8
139.14874	1.1
143.10657	3.2
149.13266	14.0
151.14842	1.1
153.12743	9.4
157.12302	1.3
163.14819	9.2
167.14313	4.7
171.13841	2.2
177.16345	5.6
181.15851	2.7
195.17424	1.9
199.16914	1.0
219.21036	13.6
237.22102	15.6
238.22404	1.4
255.23167	1.1
311.25745	11.6
329.26865	100.0
330.27124	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	329.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.8
55.01870	2.9
55.05511	44.1
56.88674	1.6
57.03429	10.9
57.07074	21.1
57.65437	1.7
64.64730	2.0
67.05502	43.3
68.48378	1.9
69.07068	53.7
69.67367	7.7
70.06580	2.1
71.04997	2.9
71.08624	15.4
73.02908	1.9
75.04483	3.9
78.07209	1.8
79.05082	1.5
79.05490	39.4
81.07051	50.9
82.07397	2.3
83.08617	41.1
85.10168	5.4
91.05503	5.6
93.07035	43.3
95.08604	39.8
95.09171	3.4
97.06532	20.9
97.10168	25.1
98.06151	1.6
98.22669	2.3
98.98463	100.0
103.03942	9.2
105.07030	3.9
107.08590	31.0
109.10147	20.8
111.08063	10.8
111.11743	7.3
111.39483	1.8
115.11200	1.7
116.10746	3.4
116.99548	3.0
117.11006	2.0
119.08597	2.8
121.10139	61.7
122.10509	2.4
123.11701	18.8
125.09640	5.7
129.05490	5.2
131.08640	1.9
135.11688	43.8
137.13239	15.0
139.11186	5.2
148.58864	1.6
149.13248	16.4
153.12694	3.8
157.10150	1.9
161.09686	2.1
163.14763	9.1
167.14331	2.5
174.99217	4.7
176.98927	3.7
177.16440	4.6
219.21068	58.2
219.23224	2.8
220.21494	4.5
237.22119	32.4
237.25735	2.0
238.22508	2.7
252.99513	1.8
255.23212	4.2
287.60480	1.8
311.25812	23.0
312.26315	2.0
329.21402	2.2
329.26553	5.8
330.29953	2.3
330.33591	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	330.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.1
55.01872	4.2
57.03439	41.2
61.02927	14.2
69.03435	37.0
71.01357	7.0
71.04980	4.4
73.02923	100.0
81.03410	4.0
85.02909	78.0
87.04494	3.7
91.03977	3.7
92.78957	2.4
93.07046	2.8
97.02895	55.6
98.98470	39.7
99.04480	3.5
105.07023	2.9
109.02866	7.1
112.51701	2.4
115.03934	55.5
127.03931	21.3
128.25894	2.5
131.08554	3.9
133.04979	22.8
145.04947	28.2
150.07622	6.1
163.06024	23.3
174.99319	2.8
180.08595	3.3
223.06026	7.2
241.07034	5.1
259.08148	8.2
295.10211	4.5
330.16046	4.8
331.17166	6.9
344.19415	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01868	1.9
57.03438	43.9
59.04998	1.5
60.04522	0.7
61.02926	16.9
68.73109	0.6
69.03432	32.0
70.03749	0.6
71.01363	4.9
71.04988	1.6
71.30304	0.7
72.04527	1.1
73.02919	100.0
74.03237	0.7
81.03406	4.2
85.02905	71.6
86.03245	0.9
87.04473	3.2
88.10108	0.6
91.03955	3.1
96.04476	1.3
97.02893	55.5
97.06532	2.9
98.03193	0.6
98.98466	7.7
99.04450	3.4
101.02389	0.7
101.19913	0.6
103.03946	1.5
109.02869	5.1
115.03929	59.5
116.04277	1.4
125.02406	0.9
127.03916	23.6
128.04233	0.9
132.06580	3.0
133.04962	21.6
133.05966	1.2
144.06577	1.7
145.04964	31.3
150.07629	6.4
157.05020	0.8
162.07613	2.0
163.06009	21.7
163.07338	1.2
176.99002	0.6
180.08702	3.9
193.05066	1.3
196.40376	0.6
198.09731	4.7
211.06157	0.9
223.06012	7.4
223.07831	0.8
241.07066	7.5
259.08179	7.2
295.10214	6.6
312.13373	0.8
330.21741	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.01864	2.6
55.05512	1.5
57.03162	2.1
57.03439	40.4
57.72068	1.1
59.04999	1.8
60.04527	1.7
61.02927	12.3
67.05503	1.6
69.03432	31.9
69.07076	2.3
70.06587	1.3
70.63989	2.4
71.01352	4.7
71.04991	1.6
73.02918	100.0
79.05502	3.2
80.82838	1.1
81.03420	3.5
81.07073	2.8
85.02905	70.0
87.04463	3.1
91.03981	1.1
91.05498	1.5
95.04969	2.5
96.04512	1.3
97.02891	55.2
97.06530	15.9
98.06842	1.4
98.23271	1.2
98.98467	43.6
99.04449	2.7
103.03908	1.2
105.68311	1.0
106.34470	1.0
109.02888	5.0
111.04494	1.1
115.03930	51.0
116.10757	1.9
121.10100	1.3
125.70701	1.3
126.05535	1.3
127.03917	20.6
129.07004	1.5
132.06538	1.7
133.04968	17.3
142.07310	1.3
143.08562	1.2
144.06549	2.8
145.04955	28.2
150.07565	6.0
161.05965	1.9
162.07646	1.7
163.06032	21.0
167.10750	1.4
171.08025	1.1
175.07547	1.8
176.98956	2.2
177.09148	1.2
180.08650	3.0
185.09592	1.2
189.09152	3.1
193.04953	1.5
198.09747	2.3
217.08694	2.1
223.05954	5.4
227.10631	1.4
241.07112	6.3
241.12268	1.5
257.11783	1.2
259.08148	5.1
260.06451	1.8
271.13300	1.3
286.11273	1.4
295.10068	5.0
312.12894	1.4
313.14423	1.8
330.13928	1.2
330.21423	1.5
331.15424	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	330.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	18.5
61.02922	7.0
69.03426	21.7
69.30248	14.7
73.02919	42.7
73.74032	2.1
79.05491	3.0
81.03409	4.1
81.07046	2.3
83.04982	4.6
84.04491	3.4
85.02905	36.7
85.06558	3.6
85.27766	2.2
95.08619	2.5
97.02892	27.3
98.22652	5.3
98.98468	100.0
102.05484	2.4
109.02837	2.8
109.06517	2.9
115.03928	26.2
127.03894	9.5
127.74635	2.3
130.04958	2.7
130.06557	3.5
132.04469	2.8
133.04971	10.4
135.06789	2.4
138.09119	4.1
145.04961	13.5
150.07628	2.7
163.06049	10.9
163.07217	2.2
168.10274	5.6
174.99261	3.7
176.98901	4.9
215.19675	2.5
223.06035	2.6
234.01044	2.3
241.07126	4.6
259.03900	2.4
259.08243	4.7
268.11874	2.4
284.13208	2.4
295.10175	4.7
330.05862	5.5
330.15720	8.4
331.13254	9.0
335.64020	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	330.1913
Annotation	Gabapentin enacarbil
Peak:m/z	Relative Intensity
53.03921	1.1
54.01627	0.7
55.01886	4.2
55.05509	3.2
56.21494	0.8
62.06092	9.4
65.03962	1.1
67.05505	2.6
69.03419	1.0
69.07072	33.6
70.02972	2.1
70.06584	1.7
70.23182	1.9
70.23547	1.6
71.05006	1.0
72.08163	6.0
73.02925	3.5
73.06551	2.8
79.05505	4.6
81.07053	5.3
83.04980	3.3
84.04514	1.2
86.06071	39.3
86.09683	1.0
91.05483	2.1
93.07050	2.3
95.08630	1.6
96.08136	3.8
97.06551	4.4
98.06059	3.5
98.09679	4.4
98.98478	25.1
99.04450	4.1
100.07645	1.5
101.02368	9.1
105.07017	1.6
107.08595	2.1
108.04459	0.9
108.08147	2.0
109.06528	14.4
110.06071	2.1
110.09756	1.1
111.08093	8.1
113.05999	0.9
114.09190	1.2
115.07584	2.4
116.10731	20.9
116.11504	1.5
117.95829	1.0
120.08082	0.8
120.89625	0.8
121.06470	1.1
122.09666	1.1
124.07566	1.2
124.11266	1.3
126.05510	3.5
133.10130	1.1
134.09624	4.2
136.07535	0.9
137.05981	7.3
138.05475	0.8
138.09178	2.0
140.07010	0.9
140.10773	1.0
141.09096	3.0
142.08647	3.2
142.12274	1.2
144.06580	1.7
152.10728	3.2
154.08669	2.0
155.06985	1.0
158.11778	2.3
164.10760	1.7
169.12210	1.7
170.11787	9.2
171.14955	1.6
174.99243	1.1
176.98894	1.1
180.10185	2.4
182.08208	1.3
198.11263	91.1
199.11539	2.5
212.16484	3.1
216.12320	100.0
217.12650	3.3
242.08522	2.8
267.87424	0.9
286.16418	2.3
312.18039	19.1
313.18494	1.3
330.15799	2.2
330.19009	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	330.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	16.1
57.03428	5.1
57.07088	5.1
64.53703	3.5
65.03960	3.5
67.05508	18.5
69.07071	14.4
69.83664	3.4
70.58402	9.2
71.08633	10.7
74.06081	7.0
79.05510	10.8
81.07063	15.5
83.04997	6.0
83.08644	8.0
84.04503	10.4
87.04479	22.2
88.07639	4.4
91.05485	8.9
93.07063	12.4
95.08617	14.4
97.06565	6.1
97.10181	6.3
98.22488	5.5
98.98468	100.0
99.08062	4.6
100.11275	31.2
105.07027	7.6
107.08596	9.3
109.06536	4.5
109.10197	5.1
117.07019	5.8
119.08576	7.1
120.06576	7.6
125.09666	6.6
125.42751	3.3
130.05019	9.6
135.11742	6.2
139.11200	4.7
147.11729	4.2
148.06068	6.8
195.13829	6.8
223.89935	4.1
227.83217	4.2
280.17612	4.3
310.79041	3.9
330.30035	16.4
330.33725	13.3
331.18799	9.5
331.22427	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	330.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.1
55.05513	46.0
57.07072	5.9
59.05006	2.2
65.68786	1.9
65.90881	2.0
67.05504	19.0
69.03432	5.0
69.07069	13.1
70.06607	4.4
71.08648	3.0
71.30619	3.4
78.20702	1.8
79.05487	14.0
81.03396	2.6
81.07041	15.4
83.04977	4.7
83.08614	31.7
85.06527	3.0
87.04474	11.4
88.07652	8.9
90.75374	1.8
91.05485	6.5
93.07034	8.8
94.38539	1.9
95.04978	4.0
95.08640	4.4
97.10174	64.3
98.10497	2.5
98.98469	100.0
105.07070	3.9
107.08611	15.7
109.06509	2.5
109.09456	1.9
109.10197	6.6
111.08057	2.8
116.99504	3.4
119.08604	3.0
121.10115	3.4
123.08093	2.2
123.63137	1.9
124.35843	1.9
125.09630	53.4
133.10146	2.3
135.08087	6.0
135.11661	3.1
141.02576	1.7
143.08525	2.6
143.10670	2.9
151.11162	3.4
153.09108	3.6
156.94809	2.2
159.11751	1.9
170.11760	2.8
171.10185	5.5
173.13312	2.6
174.99242	3.4
176.98979	7.0
189.11221	93.8
190.11499	2.5
200.20117	2.4
218.21123	9.3
267.21808	2.1
268.71109	2.1
270.27905	2.5
277.21625	42.0
295.22760	4.7
330.29959	9.7
330.33670	38.8
331.22617	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30409	12.6
69.78544	62.1
69.78912	10.0
69.98859	11.4
83.25531	12.5
87.52236	12.4
95.07075	11.2
98.98460	100.0
126.98294	13.9
158.99782	14.1
192.04102	12.2
258.38300	14.1
299.07538	28.9
331.04068	29.5
331.10028	77.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	9.2
61.75853	5.1
63.22511	5.3
69.72797	15.5
69.73174	13.7
77.41547	5.7
81.03405	5.7
83.04996	8.5
85.02919	13.3
97.02927	9.2
98.97557	28.8
98.98468	65.5
116.98637	10.6
124.99142	6.9
128.42804	5.7
155.30956	5.9
158.99678	7.1
160.03886	31.0
169.04408	45.1
175.02791	8.9
191.75302	6.6
237.20892	7.4
241.06555	15.0
241.56523	7.2
250.07097	16.0
250.57152	6.7
269.37589	6.0
299.07440	37.1
319.07117	9.3
331.04135	22.0
331.10080	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	331.121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	13.4
57.03428	5.5
58.16069	2.2
58.99579	9.6
60.77609	2.3
64.14749	2.1
67.05517	11.9
69.03421	2.6
69.22167	13.2
69.22579	4.4
71.04607	3.1
71.04998	67.6
79.05508	11.3
81.07055	6.0
83.04985	100.0
84.05286	3.4
85.01149	3.6
85.02892	3.6
86.99067	10.2
87.04461	2.7
91.05485	45.7
92.05779	2.8
93.07037	9.4
95.04989	4.2
97.01140	6.4
98.06079	3.0
98.22594	3.9
98.97857	3.5
98.98473	55.3
99.04495	2.4
99.06419	2.2
101.06004	6.7
105.00091	12.4
105.07034	48.8
106.07343	2.2
107.08553	3.1
109.10202	2.2
111.04449	34.7
115.05463	4.7
116.06277	4.7
117.07027	27.8
119.08585	43.4
121.06504	15.0
128.06212	5.7
129.05510	16.9
129.07002	25.1
131.08572	88.4
132.08881	3.2
132.99548	5.8
133.06477	2.4
133.10143	9.5
137.09554	2.2
143.08527	6.4
145.06474	4.2
145.10112	21.1
147.08040	10.3
149.09605	4.9
155.08554	6.3
161.09602	22.1
163.11111	5.1
164.10733	5.9
169.12228	4.0
173.09625	22.9
175.04250	7.6
176.98938	4.1
179.10678	18.6
191.10706	15.7
203.37303	2.1
205.05341	3.9
209.11763	3.7
215.03728	3.5
233.04785	5.6
242.08438	5.9
258.71906	2.1
287.16840	4.1
311.61758	2.4
331.13290	4.8
331.17221	5.7
338.02109	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36814	0.4
55.59269	0.4
56.96576	1.0
63.24957	0.4
64.11912	0.5
69.03442	0.7
70.06596	17.2
72.08159	100.0
73.08495	0.8
80.05017	5.1
81.03407	0.7
82.06589	3.8
85.02909	1.4
97.02876	1.0
98.22533	0.9
98.97601	3.8
98.98475	16.7
110.97607	0.6
116.98636	1.0
134.09662	14.1
134.99635	0.5
135.09982	0.6
136.09990	0.7
147.04419	0.6
151.12309	65.6
152.12642	1.9
154.15924	0.5
158.99655	0.8
169.47522	0.4
172.94305	0.7
174.99254	0.7
176.98962	1.6
177.00627	0.5
237.02815	0.6
260.04300	0.7
273.09558	0.6
299.07361	2.5
306.96350	0.5
309.93045	0.6
331.09796	9.5
331.13654	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	331.188
Annotation	Carnosol
Peak:m/z	Relative Intensity
52.40868	0.7
54.11419	0.8
55.05503	0.8
57.07081	1.2
64.25871	0.8
69.68197	3.8
73.35565	0.8
79.05475	1.0
81.07055	1.1
91.05479	1.9
93.07030	1.0
98.98467	18.6
105.07057	1.3
117.07005	1.0
119.08597	0.9
159.11760	0.9
176.98918	1.2
189.73926	0.8
331.18796	100.0
332.19116	7.0
332.22522	1.4
349.18851	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1879
Annotation	Carnosol
Peak:m/z	Relative Intensity
67.05508	0.7
69.05562	2.0
69.05982	3.2
69.07057	0.5
72.67952	0.5
81.07026	1.0
97.06516	0.9
98.98467	22.6
100.98897	0.6
105.07065	0.5
123.45966	0.5
126.76710	0.5
133.10130	0.6
135.08110	0.5
145.10110	1.3
159.11734	0.5
174.99231	1.2
176.98946	1.0
224.37659	0.6
242.10330	0.6
331.18802	100.0
332.19153	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	331.2242
Annotation	Deoxycorticosterone
Peak:m/z	Relative Intensity
55.04268	0.6
58.50438	0.5
63.17176	0.6
67.05478	0.8
81.07057	1.9
91.05481	1.2
93.07041	0.8
95.08616	0.9
98.98476	10.2
105.07029	0.9
117.07056	0.8
119.08578	1.2
121.10138	1.0
131.08566	0.7
145.10120	1.2
145.76970	0.7
173.13132	0.7
185.05424	0.7
221.10095	0.6
225.71332	0.7
329.89322	0.7
331.22415	100.0
332.22742	6.2
349.35721	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.284
Annotation	Monopalmitin
Peak:m/z	Relative Intensity
55.05513	10.8
56.26129	1.0
57.03212	0.9
57.03435	8.4
57.07075	100.0
58.07391	2.1
67.05504	25.7
69.07063	16.9
70.06580	3.9
71.06928	1.2
71.08630	56.7
72.08953	1.9
75.04464	3.1
79.05485	2.1
81.06590	1.9
81.07057	33.9
83.08617	22.8
85.06529	1.1
85.10178	37.6
88.07622	4.2
89.05994	1.3
89.07996	1.7
93.07076	1.1
93.08369	1.1
95.08607	51.7
97.10157	10.3
97.28493	1.0
98.23354	2.4
98.98472	5.2
99.11705	2.5
102.09156	1.3
102.39696	1.1
103.07542	1.7
106.08652	3.0
109.10155	25.5
111.11725	3.7
123.11703	11.2
125.13248	1.2
137.13252	6.4
151.14786	1.3
160.14392	1.2
184.96178	1.1
221.22685	3.7
232.63759	1.1
239.18158	1.3
239.23665	15.7
257.24802	6.9
313.27332	54.4
313.32880	2.6
314.27689	4.9
331.33972	38.3
332.34216	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	11.6
56.00183	1.3
57.03443	8.2
57.07077	100.0
58.06606	2.4
58.07411	2.8
62.21445	1.3
67.05506	24.4
69.07069	18.0
69.22423	9.3
70.06580	4.7
71.08632	75.4
72.08963	1.9
75.04498	2.9
79.05491	2.4
81.07057	33.3
83.08616	25.8
85.10186	39.5
88.07627	7.0
91.05480	6.2
92.01879	1.3
93.07044	2.2
95.08605	52.8
97.10175	12.1
98.98490	7.5
99.08108	1.5
99.11736	4.3
105.07056	1.5
106.08664	3.4
109.10152	23.6
109.10831	2.2
111.11735	3.4
117.07000	1.5
123.11698	11.2
125.13286	2.4
137.13239	5.5
151.14862	1.7
162.93954	1.3
165.16467	1.8
180.05557	1.2
221.22540	2.7
239.23695	18.3
240.26721	1.4
248.10597	1.4
257.24783	7.1
258.56564	1.5
313.27374	52.8
313.32941	2.5
314.27625	3.7
331.33981	43.1
332.33453	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.284
Annotation	Monopalmitin
Peak:m/z	Relative Intensity
54.79416	1.7
55.05513	13.1
57.03433	6.0
57.07076	100.0
58.07413	1.9
67.05500	25.8
69.07059	18.3
69.70019	7.5
70.06580	2.8
71.06914	2.3
71.08630	73.6
75.04486	3.8
79.05506	3.4
81.07054	38.0
82.29852	1.8
83.08618	33.0
85.06556	2.1
85.10181	39.7
86.10592	1.7
88.07619	3.2
89.34541	1.5
91.05484	3.9
91.82774	1.8
93.07039	4.0
93.49684	1.6
95.08601	57.6
96.08953	1.9
97.10165	15.3
98.98463	27.2
99.11747	4.7
103.07591	2.0
106.08657	4.1
107.08627	2.7
109.10148	27.8
111.11719	4.2
113.13275	2.1
119.08593	3.8
121.10110	2.4
123.11720	15.3
137.13255	5.2
145.10144	1.9
151.14882	2.1
154.38141	1.6
173.45372	2.1
173.49387	2.1
221.22517	3.4
239.23698	19.4
257.24738	7.5
313.27332	65.8
313.32855	2.6
331.22934	3.8
331.34024	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	332.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.3
55.01866	1.8
57.03432	3.5
59.09785	1.8
60.19743	1.8
61.02933	11.1
62.59316	1.7
67.48328	1.8
69.03432	18.4
70.47481	1.5
70.52413	4.1
71.04970	2.3
71.32663	1.9
73.02921	3.4
81.03416	6.8
81.07053	6.2
82.11527	1.9
85.02905	100.0
91.03938	4.4
97.02901	22.9
98.97601	1.9
98.97892	1.6
98.98461	13.8
99.04458	2.1
107.04950	29.7
109.02872	7.0
109.06512	2.4
127.03922	23.5
130.08638	1.6
145.04962	32.0
152.07088	3.0
153.05453	10.1
160.78217	1.8
163.06027	7.2
170.08139	10.3
173.05977	2.3
176.68892	2.0
180.08662	10.4
189.04343	2.7
208.96310	1.9
209.24010	1.9
219.06522	4.9
236.15179	2.2
266.13342	2.2
301.08899	5.5
332.10117	2.2
332.13620	4.9
333.08090	3.8
333.11584	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	332.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12731	0.9
53.03954	3.3
55.01875	2.7
55.05510	12.1
55.70723	1.0
57.03473	1.1
58.71719	1.0
58.99584	5.0
59.05005	3.1
65.03935	1.6
67.05505	16.8
69.07076	3.1
69.21170	4.8
71.04995	6.0
76.02228	10.2
79.05493	32.6
81.07053	21.1
81.07516	1.3
83.04977	8.2
84.67801	1.0
85.02899	2.0
85.06537	1.2
86.99063	3.7
87.04474	2.4
91.05482	48.0
93.07047	32.7
95.04988	3.2
95.08611	3.0
97.06544	3.2
98.22559	1.2
98.98478	3.8
101.06003	2.9
103.05481	2.7
105.00090	6.8
105.07030	90.1
106.07383	2.4
107.08593	16.2
107.78812	1.1
109.06526	4.7
115.05460	1.2
116.06252	3.6
117.07030	4.4
119.08582	33.9
120.08103	1.2
121.06464	1.3
121.10139	28.9
122.02728	66.0
126.47938	1.3
129.07027	15.3
131.08566	100.0
132.08934	4.2
133.06491	2.0
133.10129	49.1
134.10512	1.6
135.11696	10.3
142.07816	4.7
145.10103	12.8
147.08046	3.8
147.11682	26.3
147.12764	1.9
148.11163	7.5
149.09596	11.6
153.42540	1.0
157.10129	15.4
158.06062	1.2
163.11188	17.4
164.07137	1.3
167.10724	3.7
175.11182	62.4
176.11542	1.8
178.08575	1.2
181.12239	14.7
192.10228	1.8
193.12230	26.6
194.11757	40.2
195.12164	1.1
202.11014	1.7
203.11717	2.0
253.51334	1.2
254.09863	1.1
315.13358	1.6
332.15427	8.0
332.22076	5.0
333.14536	1.4
333.21896	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46011	1.4
53.03941	5.7
55.01882	2.1
55.05511	6.0
57.03440	4.5
57.07076	2.3
58.99586	3.0
61.02915	6.5
67.05502	10.1
69.03432	13.3
69.07069	4.5
70.06600	9.8
71.04990	100.0
71.96841	1.4
72.05328	1.9
73.02914	4.5
76.02225	5.1
78.70976	1.6
79.05485	17.8
81.03419	5.5
81.07056	58.0
83.04987	7.2
83.08623	5.5
84.04482	1.8
84.08163	11.0
85.02902	70.5
85.06541	30.1
86.06075	1.8
86.99086	2.0
87.04472	2.4
91.03952	5.6
91.05477	22.0
93.07043	30.5
94.06559	2.8
95.04961	7.9
95.08584	11.2
96.04478	1.7
97.02881	15.5
97.06500	2.4
98.98460	9.5
99.04456	3.9
100.07629	1.7
105.00113	2.5
105.07036	39.1
107.08592	16.8
109.02876	4.3
109.06520	3.0
116.10757	2.1
116.65182	1.7
119.08577	13.7
120.08067	2.9
121.10116	11.6
122.02722	17.9
122.09708	1.9
127.03909	15.6
129.07013	6.7
130.05014	3.4
131.08569	40.5
133.04988	1.8
133.10123	20.4
134.09628	1.7
135.08011	3.9
135.11673	18.7
137.13222	10.6
139.60564	1.9
142.07697	1.9
145.04947	28.6
145.10097	3.9
147.08073	1.8
147.11652	9.9
148.11177	15.8
149.09630	5.2
149.11876	2.3
157.07611	2.1
157.10144	4.9
158.06029	2.8
163.05968	11.7
163.11209	6.0
175.11191	19.5
181.12248	4.9
192.06602	2.6
192.10239	4.5
193.12146	10.8
194.11754	99.9
195.12154	5.5
201.10309	2.6
202.11031	5.1
203.08087	3.4
203.11847	3.6
233.10278	2.5
259.10953	1.8
315.13385	7.4
332.16006	9.1
332.22217	10.9
333.14413	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	333.0583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41526	2.5
58.19997	2.6
69.85301	10.8
73.00384	2.8
85.02923	2.9
96.66191	2.4
110.05997	2.5
111.39033	2.9
126.92314	2.4
136.07587	4.2
154.08591	4.1
159.64610	2.7
164.53915	2.6
171.07687	7.2
204.12668	2.7
245.06543	3.7
301.08948	11.3
315.06876	9.7
333.05368	100.0
333.11661	17.9
333.15073	3.1
333.16406	2.5
334.06155	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	333.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68284	0.8
55.01868	7.3
60.75529	1.0
66.99801	0.8
69.99633	0.8
70.23529	1.0
70.23858	1.9
73.76105	0.8
74.02441	2.5
82.02956	2.1
98.98463	1.5
100.03994	1.0
109.28484	0.8
118.06544	12.9
126.05545	4.3
129.07004	1.4
130.06528	15.5
131.07309	2.3
132.08127	1.0
142.06525	1.8
143.08614	1.6
144.08099	1.9
146.06026	3.0
154.06514	11.4
155.07330	3.9
156.08113	4.5
160.07552	0.9
167.07324	3.7
168.08092	63.3
169.08536	3.8
170.06024	6.0
170.09651	34.8
171.09071	1.3
172.06163	1.2
172.07591	15.1
176.07022	0.9
178.06456	0.9
180.08087	9.3
182.06018	2.1
182.09692	2.3
184.07625	1.4
186.09148	24.5
188.07068	4.5
194.06049	2.0
195.09196	1.7
196.07584	47.6
197.07841	1.4
198.09177	6.2
199.08679	15.3
200.07097	10.1
200.08833	1.4
201.13205	1.2
206.06032	1.1
208.07639	2.7
210.05495	1.0
210.09149	1.9
212.07028	2.7
214.08630	27.0
215.08992	2.0
216.10204	12.1
217.09729	100.0
218.10130	4.4
223.08670	3.9
224.07037	9.1
225.07637	0.9
225.10251	2.8
226.08772	4.2
230.89607	0.8
242.08130	9.2
243.11336	2.9
245.09235	1.6
245.19762	0.9
252.06693	1.3
254.08235	1.5
256.05975	5.3
260.09192	57.3
261.09445	1.9
269.09232	4.2
270.07672	3.3
271.10797	1.1
272.09109	6.0
287.10248	2.4
289.11795	8.6
316.08163	9.3
333.10815	8.0
333.14642	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1155
Annotation	Tos-Arg-CH2Cl
Peak:m/z	Relative Intensity
54.19561	0.5
60.66993	0.6
69.73700	2.2
69.74043	0.6
79.12179	1.0
83.67680	0.5
105.62652	0.5
107.32046	0.5
112.96295	0.5
119.25419	0.5
119.31225	0.5
151.98515	0.5
221.04865	0.8
282.86447	0.5
301.08936	87.9
302.09308	4.2
333.11551	100.0
334.11838	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	333.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	22.6
67.05511	47.7
71.04995	27.9
71.28993	8.8
71.29362	9.7
79.05491	50.6
81.07051	41.5
83.04984	28.4
85.02907	17.7
86.99048	9.7
91.05469	67.0
93.07054	46.9
94.07471	10.1
95.08590	19.5
97.06534	39.7
98.98481	33.6
105.07025	100.0
107.08562	20.9
109.06539	16.8
119.08585	55.2
121.10165	35.6
129.07011	23.1
131.08545	77.3
133.10129	74.1
135.11703	15.6
143.08586	12.1
145.10124	13.9
147.11714	35.7
149.09599	19.1
157.10132	20.2
163.11195	25.4
175.11186	63.7
181.12146	19.0
183.69223	8.7
193.12244	47.2
211.13371	18.4
304.19998	9.0
315.13113	10.1
333.14011	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	333.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16076	0.3
54.63107	0.4
55.50684	0.4
69.46736	2.1
70.06580	0.9
71.01324	0.5
85.02882	0.7
87.04467	0.5
89.04908	0.3
98.22683	0.7
98.97565	1.7
98.98454	1.7
99.04490	0.4
104.51210	0.4
110.61865	0.4
110.81835	0.4
116.98580	0.7
118.07327	0.4
135.04396	0.5
136.04822	0.5
136.08389	0.6
137.05937	1.3
151.70468	0.4
157.06461	0.4
162.05524	3.2
169.07599	0.4
171.09998	2.4
172.07600	0.4
174.09015	0.4
190.04958	0.8
197.07095	1.1
200.06976	0.4
217.09718	0.9
227.11621	0.4
245.09180	1.5
257.49261	0.4
265.78162	0.4
269.09283	0.9
273.08759	0.4
290.29639	0.4
315.09851	2.0
316.07986	0.7
333.15121	100.0
334.09323	0.7
334.15436	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	333.1905
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
51.08197	2.1
53.03938	5.2
55.01872	5.8
55.05500	9.9
55.33073	2.3
57.03431	11.4
57.07079	20.3
59.04999	13.2
61.02929	12.0
67.05511	14.5
69.03428	35.0
69.07074	11.8
71.01377	2.4
71.04996	9.8
71.29774	2.3
73.02902	3.4
78.51991	2.2
79.05482	5.0
81.03419	14.6
81.07060	7.8
83.04987	6.8
83.08620	6.5
84.04532	2.0
85.02901	100.0
85.06551	16.0
87.04472	5.2
91.03929	4.7
91.05504	5.9
92.31316	2.1
93.07048	8.0
95.04974	5.1
95.08607	63.5
97.02885	27.2
97.06541	7.6
98.98474	9.5
99.04457	8.8
99.08092	16.5
105.07030	5.8
107.04958	3.9
107.08588	15.2
109.02884	11.5
109.06511	12.7
109.10152	26.1
111.04434	3.0
111.08081	8.2
113.09641	84.3
114.09978	2.4
119.08578	3.7
121.06451	3.5
125.09554	3.0
127.03894	17.2
127.11190	44.2
131.08607	3.1
135.11688	21.0
137.13246	7.8
143.31328	1.9
145.04948	25.8
145.10127	3.3
152.07118	3.5
153.12740	84.6
154.13202	2.4
155.14331	11.3
163.06052	3.6
171.13812	44.1
173.13345	3.0
177.12723	3.5
213.14893	3.2
222.09979	2.3
249.14722	2.8
301.11917	2.6
333.14291	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	333.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11755	13.9
53.35087	14.4
57.03426	28.6
57.07086	23.1
67.05472	23.2
67.20854	14.4
69.03434	30.9
69.16832	100.0
69.17235	34.7
70.48657	13.8
71.01410	14.0
79.05472	17.6
81.03413	36.9
81.07056	39.2
83.04998	26.7
85.02901	37.2
91.05483	17.1
93.07048	17.2
95.04951	15.7
95.08592	20.4
98.98468	43.6
99.08099	20.5
105.07016	26.9
107.08565	24.8
109.06534	22.7
109.10169	27.0
111.08070	17.9
119.08574	22.1
127.03918	19.3
127.11192	33.7
135.08020	19.6
138.09120	52.1
145.04874	14.7
151.11145	19.2
153.12772	29.2
153.67870	16.1
155.14336	24.6
156.57085	14.6
163.03970	20.3
178.30222	14.7
195.13727	17.9
273.12271	22.0
315.86169	15.3
333.14447	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1906
Annotation	Rosiridin
Peak:m/z	Relative Intensity
55.01876	10.1
55.05510	14.4
57.03437	11.9
58.74786	6.1
58.86419	6.9
61.02925	8.6
67.05508	16.3
69.03423	21.6
69.07065	21.2
71.04987	48.6
71.30253	9.0
77.71791	6.1
79.05497	23.4
80.41154	7.3
80.55665	5.8
81.03433	11.1
81.07058	46.0
85.02908	100.0
89.81463	7.6
91.05477	31.7
93.07056	49.8
95.08615	24.5
97.02910	23.8
97.06555	12.7
98.98460	16.1
103.03962	7.1
105.07021	43.9
107.04956	10.7
107.08589	48.4
109.02895	9.5
109.06520	17.4
109.10174	23.5
115.03931	10.1
117.07071	8.5
119.08617	30.8
123.08014	8.5
127.03926	13.7
131.08585	22.5
135.08092	9.3
135.11694	51.7
138.09158	16.8
143.08549	22.0
145.04993	7.7
145.10123	23.7
147.08044	32.7
149.09583	10.6
153.12761	68.3
155.50294	6.6
159.08099	14.0
159.11774	8.4
163.11349	10.6
165.12778	31.5
167.08534	8.8
173.09633	15.2
173.13443	7.5
175.07561	15.9
177.12769	13.3
183.11646	8.1
189.12852	15.3
191.10635	11.0
219.13927	9.6
219.98320	7.3
231.13942	7.9
261.15024	8.6
279.16034	11.6
297.16962	8.3
299.56210	7.1
309.48578	7.6
333.14639	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	333.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	43.7
57.03431	43.4
57.07089	14.9
61.02924	13.4
65.63644	10.7
67.05510	18.2
69.03429	58.6
69.07069	48.5
71.04996	68.1
71.29413	13.2
73.02863	11.7
79.05498	30.4
81.03426	26.1
81.07052	48.0
83.04994	15.6
85.02911	100.0
91.05488	52.1
93.07063	61.8
95.08639	32.9
97.02892	29.7
98.98455	32.0
105.07010	76.1
107.04969	16.9
107.08603	76.9
109.02921	18.6
109.06485	16.8
110.47089	11.2
115.03926	17.6
115.36772	11.6
117.07014	17.5
117.83272	14.1
118.44099	11.8
119.08603	52.4
121.06528	17.1
121.10174	28.0
121.77196	13.1
127.03920	17.5
129.07056	15.1
131.08566	50.4
135.11668	45.0
136.06239	16.1
137.13345	13.7
143.08595	28.2
145.04875	13.8
145.10112	28.3
147.08035	56.1
153.12715	61.2
155.08507	15.6
159.08061	17.3
159.11758	15.9
163.07458	16.2
165.12741	47.9
173.09656	22.5
173.13292	19.8
175.07503	13.0
177.12680	18.7
183.11839	13.9
189.12781	22.7
231.13737	15.6
238.37447	14.1
265.49854	13.3
314.41620	14.1
315.17935	21.2
333.11050	16.2
333.14285	82.7
333.17633	12.6
334.18939	13.7
338.08023	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	333.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.4
57.07067	1.1
58.06586	0.6
63.86148	0.4
67.05511	0.6
67.41444	0.3
69.07037	0.5
69.78266	1.3
69.78654	0.8
70.06590	0.3
70.41295	0.3
71.08617	0.5
81.07026	0.5
87.04453	1.9
88.07627	2.3
91.05469	0.6
93.06976	0.3
95.04937	0.5
98.22572	0.4
98.98457	3.1
104.07084	0.5
105.07017	0.9
109.10189	0.4
132.10225	0.5
143.08498	0.4
157.63884	0.4
176.98888	0.4
235.12877	0.8
242.24745	2.1
261.14618	1.2
271.28293	0.7
315.19434	0.6
333.16837	6.5
333.20334	100.0
334.17084	0.5
334.20721	8.1
334.29434	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	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75156	0.7
54.40723	0.7
69.61739	3.9
79.86933	0.7
143.94846	0.7
235.12946	0.9
251.12611	1.0
263.31863	0.7
300.95767	1.0
315.19568	0.9
333.20343	100.0
334.20615	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	333.2035
Annotation	PGB3
Peak:m/z	Relative Intensity
55.05504	3.5
55.95317	2.0
57.03429	3.1
64.09754	2.2
67.05490	4.4
69.09599	16.5
79.05491	5.5
81.07035	5.8
91.05480	7.5
93.07059	5.2
95.08592	4.6
98.98473	5.4
105.07008	7.5
107.08600	5.2
108.73112	2.0
109.10141	4.3
117.06999	3.3
119.08562	7.0
121.10162	4.3
131.08522	4.1
133.10130	6.2
135.11562	2.3
147.11620	3.5
175.03900	2.2
222.14879	2.6
273.22021	2.4
273.63651	2.2
292.40073	2.5
315.19308	44.6
316.19543	2.5
333.16794	4.8
333.20313	100.0
333.23898	5.1
334.20795	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	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.8
56.05032	1.7
57.07068	1.8
58.06591	2.7
67.05516	0.8
69.02239	1.7
69.02660	3.8
71.08612	1.6
72.08152	1.5
74.06075	1.8
75.63961	0.6
79.05502	1.2
81.07045	2.1
86.06057	1.7
87.04514	0.5
88.07632	12.9
88.14352	0.6
91.05481	1.7
93.07038	1.1
95.04961	0.7
95.08595	0.8
98.98479	2.2
104.07091	1.0
105.07044	1.8
107.08580	0.8
107.32496	0.6
109.02898	0.7
109.06615	0.6
109.80950	0.7
114.52021	0.6
117.06995	1.1
119.08607	1.7
131.08546	1.2
132.10233	3.9
133.10101	0.8
156.67830	0.7
162.11269	0.9
166.10770	0.8
185.13129	0.6
207.44102	0.7
242.24771	11.6
268.40909	0.7
286.27396	3.9
315.19312	0.7
316.28418	0.7
321.45105	0.7
332.30649	0.6
333.20352	100.0
334.20758	6.6
334.29501	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96405	2.6
55.01856	3.0
55.05503	10.7
57.03448	6.0
57.07076	35.9
66.63923	3.0
67.05503	28.2
69.07059	10.2
70.42871	4.0
70.43202	5.0
71.04974	3.1
71.08632	100.0
73.35389	2.3
74.87235	2.6
79.05492	31.2
80.46361	2.5
81.07066	32.8
83.04997	5.3
83.08619	4.8
85.06536	4.9
85.10184	15.0
89.06037	24.5
91.05486	44.8
93.07037	22.8
95.04952	6.6
95.08621	15.1
97.06535	6.5
98.98505	4.6
99.08090	60.6
103.05469	2.9
105.07029	31.7
107.05016	4.5
107.08626	14.3
109.06511	3.5
109.10150	6.9
115.05455	4.6
117.07030	37.0
119.08583	29.1
121.10149	7.5
123.08060	4.6
128.06201	6.1
129.07024	15.5
131.08609	16.2
133.08595	3.4
133.10110	16.5
135.08038	6.9
135.11700	6.9
141.07002	10.9
141.12759	6.7
143.08563	15.0
145.06366	2.7
145.10132	19.4
147.11665	6.9
148.92656	2.7
151.09711	8.4
151.11177	12.0
155.08597	4.7
157.10153	8.4
159.11678	9.1
161.09621	11.5
169.10132	22.9
170.25014	2.9
171.11693	5.3
177.12688	3.1
179.14352	3.8
181.10120	4.9
185.13278	12.9
187.11203	32.5
189.12717	3.5
191.14325	3.4
199.11118	4.0
199.14734	3.8
203.14334	14.1
217.15921	4.8
219.13826	20.7
239.17900	3.3
259.20609	3.3
266.20502	2.7
283.20615	4.4
301.21600	5.0
315.23123	4.2
333.24417	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	2.1
57.07076	100.0
67.05517	2.9
69.07060	5.5
69.52916	6.4
71.08631	87.2
72.04519	2.7
72.08957	1.4
76.45304	1.6
79.05496	2.1
81.07073	4.4
83.08618	2.1
85.10184	44.7
87.04444	2.2
89.06033	84.3
90.31688	1.4
91.05466	3.5
93.07038	3.8
95.08618	4.0
98.23386	1.8
98.98491	1.8
99.11085	1.7
99.11738	6.1
105.07026	3.8
107.07066	4.9
109.10165	2.1
113.13285	3.1
119.08609	1.9
127.14813	2.9
133.08598	16.2
139.93935	1.8
151.09647	35.9
165.12695	2.1
169.10210	2.0
244.01947	1.5
246.72414	1.7
289.44131	1.4
333.16724	2.3
333.24713	1.6
333.41827	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.09
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69889	0.7
53.03947	1.0
55.05506	3.5
56.96552	0.9
57.03427	1.1
61.02923	1.5
62.66581	0.7
64.46400	0.6
67.05494	1.3
68.32260	0.8
69.03433	3.8
69.07083	1.7
70.06583	1.6
71.04980	1.1
71.28788	1.3
79.05489	2.3
81.03402	2.2
81.07059	9.7
82.06561	0.9
83.08618	3.4
84.04515	0.8
84.08123	1.0
84.96011	0.8
85.02907	9.8
85.06512	1.3
91.05438	0.8
93.07018	0.8
97.02898	3.0
98.06072	1.4
98.09707	1.8
98.97600	4.7
99.08058	0.8
108.08116	1.6
109.02907	0.9
109.06513	8.1
110.97558	0.7
113.07129	0.7
116.98615	2.3
118.87788	0.8
123.78748	0.9
126.09151	26.1
127.03909	1.7
127.07545	9.5
127.09466	0.8
128.98668	1.1
136.06189	2.7
137.06001	2.2
145.04959	1.1
154.08629	31.0
155.07037	19.8
155.08972	1.1
158.99651	1.6
159.40109	0.8
162.05501	7.9
162.06783	1.2
167.97829	0.8
172.03679	1.7
172.09685	46.6
173.10149	1.9
177.00700	1.7
190.04970	5.4
190.10783	1.2
219.01686	1.2
237.02869	1.7
293.09106	3.9
302.09427	0.9
334.08960	100.0
334.14813	6.6
335.09232	5.9
335.15970	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19859	0.8
55.01883	1.4
55.05499	3.5
56.96566	1.6
61.02904	1.7
67.05492	1.7
69.03422	4.1
69.07047	1.0
70.06573	2.0
70.75253	2.1
71.04981	2.0
77.95582	0.8
79.05499	2.5
81.03408	1.7
81.07063	10.9
83.08611	3.9
84.04495	1.0
84.08150	1.3
85.02903	8.7
85.06541	2.4
87.04467	1.1
91.05453	1.3
97.02900	3.4
98.06059	1.0
98.09721	1.4
98.97554	4.6
98.98483	1.3
99.08104	0.8
105.07069	0.8
108.08076	1.7
109.02888	1.1
109.06515	10.0
109.10065	0.8
110.06071	1.1
110.97559	0.8
116.98637	2.4
120.85176	0.7
126.09151	27.3
127.03888	1.5
127.07557	8.6
130.04933	0.9
136.06180	2.5
136.07559	1.0
137.05981	1.3
145.04929	1.1
146.05930	0.7
154.08636	29.0
155.07033	16.6
162.05502	7.9
172.03699	1.3
172.09689	45.9
172.82924	0.8
173.10040	1.4
177.00793	1.4
190.04996	3.8
219.01799	1.1
237.02763	1.2
246.09660	0.8
293.09097	2.2
302.09290	1.0
334.08942	100.0
334.15359	6.5
335.09256	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	334.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00023	1.2
55.01868	4.3
55.05510	5.3
57.07080	3.3
61.21276	1.2
67.05506	13.0
69.03436	1.7
69.07076	7.0
71.08633	10.4
72.04519	73.2
79.05491	6.2
81.07057	14.7
85.06548	2.0
86.30215	1.2
91.05490	7.1
93.07046	12.0
95.04972	17.9
95.08605	19.9
95.09158	1.5
97.06550	3.6
99.08102	5.5
100.07633	1.5
105.07020	7.8
107.04957	1.4
107.08597	11.4
109.06519	22.6
109.10182	4.7
110.06929	1.4
114.09177	16.5
119.08586	4.7
121.06516	3.4
121.10146	3.4
123.08021	1.3
128.10713	5.9
131.08560	5.6
133.10149	8.1
135.08028	3.7
135.11662	1.6
137.09616	1.3
142.12277	4.1
145.10103	2.9
147.11725	3.9
149.13278	3.1
156.13834	1.6
159.11736	1.5
163.14929	1.2
165.12764	100.0
166.13150	1.9
173.13298	6.8
175.11215	5.7
180.13852	2.7
182.15431	12.6
184.13345	2.7
184.16957	2.1
191.14342	7.9
201.12805	4.1
212.16505	9.0
215.90085	1.1
220.16930	10.6
228.91830	1.2
229.19556	4.4
236.20096	37.8
237.20375	2.7
253.19528	1.5
261.22235	1.6
271.20569	6.2
289.21725	7.3
316.26303	6.3
334.27390	36.7
335.27722	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1851
Annotation	Plagiochiline C
Peak:m/z	Relative Intensity
53.03952	5.2
55.01859	20.2
55.05510	21.0
57.03427	20.5
57.07059	4.4
61.02915	11.0
67.05491	12.4
69.03421	41.6
69.07061	13.8
71.01360	3.5
71.04988	5.5
73.02909	15.3
78.52416	3.6
79.05479	20.4
81.03407	18.8
81.07059	18.6
83.04977	20.4
83.08604	13.9
84.73114	3.3
85.02905	35.3
87.04449	6.5
90.44862	3.5
91.05478	32.2
93.07039	23.2
94.99296	4.2
95.04951	12.9
95.08595	19.0
97.02884	32.9
97.06541	5.0
99.04472	8.5
101.02399	4.3
103.03945	9.4
105.07035	65.5
107.04987	6.8
107.08595	47.1
109.02908	6.7
109.06515	12.9
109.10145	9.1
111.04448	7.7
111.08081	10.3
115.03915	25.5
117.06998	17.8
119.04912	5.8
119.08572	59.7
121.06459	20.3
121.10136	16.2
123.08056	6.7
125.05972	5.9
125.09623	25.2
126.05516	4.3
127.03894	13.1
128.06181	4.4
129.05444	5.9
129.07022	11.5
130.07744	4.6
131.08566	88.7
133.04979	6.7
133.06450	8.8
133.10127	39.8
135.08035	13.3
135.11702	11.0
137.05948	12.2
139.09561	3.7
141.06970	5.5
142.07793	8.6
143.08556	18.8
144.09293	6.2
145.06473	6.3
145.10121	54.8
147.04308	4.9
147.08080	14.3
147.11673	31.9
149.05975	8.9
149.13295	4.3
151.07565	4.5
153.05510	3.7
155.08531	5.8
155.10599	4.0
156.09343	17.0
157.10118	28.1
158.10866	9.7
159.08101	7.9
159.11696	36.6
161.09593	14.1
161.13255	11.4
163.07541	8.0
165.09119	6.0
167.08665	4.5
169.10144	11.8
170.10881	7.5
171.08029	3.8
171.11627	23.3
173.09642	10.0
173.13260	100.0
175.07573	9.4
175.11191	14.8
175.14822	54.0
179.07082	5.1
183.11656	10.4
185.09673	8.4
185.13266	20.6
187.11168	10.6
187.14841	14.8
189.09128	5.2
189.12714	17.4
191.03471	4.3
191.10641	4.5
191.14339	20.7
193.08676	10.6
195.11774	5.2
197.09660	4.9
197.13257	7.4
199.11154	4.2
199.14760	6.5
201.12746	21.0
203.10730	6.8
203.14307	22.0
205.15865	3.9
209.13225	8.6
211.14763	8.0
213.12781	9.3
215.14288	14.0
225.12677	6.2
227.14276	7.8
229.12280	4.8
231.13625	4.8
233.11653	9.0
233.15334	4.7
235.13167	4.3
239.14404	6.7
239.55667	3.8
243.13786	4.5
245.15367	7.4
257.15253	6.9
271.16956	4.9
273.14694	4.9
275.16507	12.3
281.15222	6.1
287.16360	10.3
291.16122	4.0
299.10159	5.0
299.16345	16.3
300.16968	4.4
301.62674	3.8
317.11353	9.4
317.17554	37.1
335.12265	8.5
335.18573	95.9
335.22574	5.5
336.19107	6.2
354.13940	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2193
Annotation	13,14-dihydro-15-keto Prostaglandin J2
Peak:m/z	Relative Intensity
51.73328	0.4
67.05498	0.9
69.07064	0.6
69.87273	1.0
69.87669	0.8
71.08633	0.5
72.04511	2.1
79.05503	0.9
81.07051	0.8
90.87534	0.4
93.07053	1.3
95.04996	0.6
95.08611	1.3
98.23367	0.4
105.07034	0.5
109.06494	0.7
109.10184	0.6
114.09202	0.5
116.00575	0.4
119.08613	0.8
124.44444	0.4
131.08562	0.6
133.10141	0.7
145.10092	0.4
165.12746	1.4
166.13104	2.0
183.61397	0.4
221.11537	0.5
237.20407	0.9
265.59677	0.4
317.20905	0.7
335.21909	100.0
336.22217	6.5
336.25943	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01612	1.1
53.03952	3.8
55.01871	2.5
55.05514	25.0
56.41801	1.3
57.03438	27.3
57.07075	3.6
59.36185	1.1
60.13831	1.2
64.96418	1.3
65.03948	4.6
67.05507	100.0
68.05843	1.4
69.07069	24.5
71.05006	4.5
77.03944	1.5
79.05496	56.1
80.05831	1.9
81.07060	96.2
83.04993	3.8
83.08631	11.4
85.06557	3.3
91.05476	37.7
91.05999	2.2
93.07046	64.7
93.16754	1.2
94.07390	1.8
95.04963	8.6
95.08609	80.3
97.06549	4.6
97.10220	4.1
98.96102	1.4
103.05499	1.5
105.04538	1.9
105.07035	32.4
106.07362	1.6
107.08593	37.9
107.09274	2.4
109.06529	3.3
109.10159	29.6
109.65215	1.3
111.08092	2.3
117.07025	9.3
119.08579	26.4
121.10146	27.2
123.08119	3.0
123.11704	10.9
125.09691	1.7
129.05504	1.7
129.07048	3.5
130.07780	1.6
131.08569	23.3
133.10136	23.2
133.11069	1.8
134.10486	1.7
135.08081	4.7
135.11702	19.4
137.09639	3.6
137.13251	3.0
141.07036	1.3
142.07819	3.1
143.08574	7.7
145.10120	18.4
145.11229	1.3
147.11668	10.6
149.09654	1.9
149.13277	8.0
155.08640	3.8
156.09407	5.0
157.10138	7.6
158.10912	3.1
159.11673	8.3
161.09557	1.2
161.13243	6.5
163.14879	3.5
169.10191	3.4
170.10948	1.8
171.11661	6.6
173.13283	15.9
175.14893	5.6
179.08638	2.6
181.10147	1.6
183.11774	2.0
185.13347	3.8
187.14908	4.4
193.10191	2.7
195.11780	3.8
197.13382	4.5
197.87117	1.3
199.14877	3.7
206.11099	1.5
207.11830	1.8
209.13380	4.0
211.14938	2.8
212.15642	1.9
221.13467	3.5
223.14966	2.2
235.14859	2.1
236.01321	1.3
237.16316	2.2
243.21077	3.1
261.22137	6.8
277.19580	3.2
317.24911	3.3
335.25977	75.6
336.26288	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01070	3.3
53.03950	4.8
55.01875	7.1
55.05511	32.5
57.03435	19.0
57.07076	16.6
63.92171	3.9
64.63152	3.9
66.26685	3.6
67.05505	96.0
69.03440	7.6
69.07076	26.8
69.43652	16.8
69.44059	5.8
71.04999	15.4
71.08636	11.5
79.05492	65.6
81.07058	100.0
83.04993	8.7
83.08602	12.1
85.06555	9.7
85.10166	6.4
89.06033	44.8
91.05474	53.4
93.07050	79.7
95.04974	21.8
95.08608	71.3
97.06535	7.3
102.24483	4.6
103.05482	5.5
105.04531	4.5
105.07035	64.1
106.07382	4.5
107.08595	44.6
109.06526	13.1
109.10160	33.0
115.05470	8.7
117.07029	21.1
119.08579	71.3
121.06530	4.4
121.10152	40.1
122.90462	3.7
123.08092	5.4
123.11692	11.7
128.06224	8.5
129.07002	10.8
131.08569	64.3
133.08588	20.4
133.10124	64.1
135.08044	10.4
135.11681	23.5
137.09581	5.0
138.87947	3.8
139.07549	4.7
141.07042	7.0
142.07779	10.1
143.08591	19.7
144.09421	5.2
145.10123	39.5
147.11743	16.9
149.09625	6.7
149.13274	6.5
153.75165	4.4
155.08568	7.3
156.09360	11.3
157.10115	35.4
158.10913	9.3
159.11745	19.7
161.09641	4.8
161.13342	5.0
163.11252	5.3
163.14780	6.1
165.07007	5.6
167.08614	3.7
169.10205	11.5
170.10826	4.6
171.11696	26.3
173.09721	4.0
173.13274	42.6
175.14835	13.3
179.08626	4.6
181.10165	12.6
182.10918	3.9
183.11749	8.2
185.13251	10.4
187.14812	14.8
193.10095	7.3
195.12230	21.2
197.13261	13.5
199.14795	21.7
206.10788	4.5
207.11711	10.0
209.13293	12.2
211.14931	9.7
212.15558	8.1
213.12727	4.0
221.13293	11.7
223.14877	6.6
235.14848	7.6
237.16321	7.8
243.21065	6.1
251.14146	4.7
261.22018	9.3
277.19513	11.5
279.17554	5.8
292.21603	3.9
317.21411	6.0
319.17267	3.7
335.22754	11.8
335.25732	53.7
345.69763	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	335.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.4
53.23810	3.7
53.62424	3.5
55.05517	30.8
57.03442	27.3
57.07080	7.3
65.03949	8.5
66.04041	3.8
67.05509	100.0
69.07074	30.4
70.51340	3.5
71.04997	13.9
71.28780	4.2
77.86829	3.5
79.05495	57.6
81.07063	95.4
83.08614	13.2
85.06575	3.9
89.05540	3.3
91.05488	40.1
93.07051	66.0
95.04968	19.6
95.08621	70.8
97.06553	7.2
97.10134	5.0
105.07035	65.0
107.08586	41.8
109.06507	8.3
109.10159	35.8
111.08088	4.8
117.07011	18.5
119.08582	54.0
121.06467	4.2
121.10146	36.0
123.08111	7.3
123.11736	9.4
128.06294	6.3
129.07021	8.6
130.07799	4.6
131.08571	44.6
133.10124	61.7
135.08066	9.7
135.11723	11.2
137.09683	5.6
141.06998	5.1
142.07820	10.6
143.08572	20.7
145.10114	36.9
147.11682	8.9
149.09708	4.6
149.13297	9.3
151.15018	3.7
151.87834	3.4
153.07068	4.2
155.08575	11.7
156.09344	11.4
157.10153	25.6
158.10912	10.1
159.11700	13.2
161.09637	4.7
161.13293	5.9
163.14842	7.1
165.06978	9.6
169.10152	11.0
170.10936	6.0
171.11731	16.1
173.09625	4.2
173.13307	28.0
175.14880	11.1
181.10159	5.3
183.11691	10.6
185.13292	12.1
187.11105	5.0
187.14838	12.6
191.14392	3.9
193.10181	6.3
194.10834	4.8
195.11765	8.6
196.12428	4.6
197.13281	9.9
199.14809	14.4
205.10188	4.5
207.11729	8.1
208.12532	5.1
209.13307	7.3
211.14847	9.2
212.15570	5.3
220.12590	4.6
221.13327	12.8
222.13980	4.9
223.14803	6.3
232.12503	3.6
235.14822	5.9
237.16327	5.1
243.21199	3.9
251.17946	4.7
261.16254	4.3
261.22226	5.0
277.19485	9.5
335.26331	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	335.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90285	2.1
53.03937	3.9
53.26202	2.3
53.43674	2.3
55.05513	9.5
57.03455	2.8
57.07088	3.3
67.05506	27.4
69.07056	12.8
71.04992	16.0
79.05492	20.7
81.07058	29.5
83.08618	4.4
85.06539	4.9
91.05478	35.6
93.07046	43.8
93.07626	2.8
95.04977	14.6
95.08604	20.5
97.06541	5.0
105.07029	53.4
105.07676	4.1
107.04944	3.0
107.08584	37.6
109.06527	14.2
109.10162	17.6
115.05396	2.6
117.07030	19.6
119.08578	66.2
120.08904	3.5
121.10130	32.9
123.08109	5.4
123.11742	5.5
128.06284	6.6
129.07039	10.1
130.07805	5.9
131.08566	40.6
133.10129	44.9
134.10506	2.6
135.08049	16.6
135.11720	5.8
137.09615	4.9
141.06979	6.6
142.07811	11.1
143.08563	28.7
144.09407	4.0
145.10110	37.5
147.11656	12.1
149.09647	5.0
149.13269	3.6
153.07008	3.1
155.08528	17.3
156.09331	12.1
157.10124	28.4
158.10970	8.5
159.08109	2.6
159.11681	17.1
161.09642	8.2
161.13297	7.6
163.11169	3.2
165.07042	6.6
166.13203	3.6
167.08620	7.1
168.09389	3.0
169.10135	18.0
170.10966	5.7
171.11671	31.1
173.09734	2.5
173.13248	31.8
175.11261	5.7
175.14925	7.6
179.08565	14.9
180.09442	4.8
181.10110	14.7
182.10915	6.3
183.11679	15.9
184.12395	3.3
185.13329	10.5
186.13918	2.7
187.14870	8.4
189.12881	2.6
193.10193	10.3
194.11005	4.4
195.11702	19.6
196.12431	4.5
197.13254	19.5
199.11258	5.8
199.14847	14.1
201.16484	3.4
205.10181	3.8
205.21832	3.0
206.10954	4.5
207.11739	9.4
208.12492	4.5
209.13217	18.7
211.14845	14.3
212.15448	5.6
213.12750	13.6
213.16493	4.5
215.08502	2.5
215.14313	4.8
217.10161	4.2
219.11656	2.4
220.12592	2.4
221.13286	16.8
222.14200	4.8
223.14917	8.3
231.11868	4.0
233.13339	4.2
234.14012	3.9
235.14920	9.3
237.16551	7.9
247.14935	9.3
249.16492	4.3
251.18066	7.0
252.18626	4.3
255.17638	5.2
261.16470	3.9
265.19678	4.7
277.19540	24.5
279.17517	4.7
291.21152	3.9
292.21948	5.4
293.22543	3.4
315.21149	2.7
315.56378	2.5
317.22720	9.4
335.23773	100.0
335.30054	6.9
336.23959	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	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03954	5.3
55.01861	1.5
55.05515	24.4
55.96638	1.1
56.17367	1.2
57.03441	27.1
57.07081	3.8
63.21844	1.1
65.03939	5.2
67.05508	100.0
69.03439	1.1
69.07071	24.2
71.05005	2.4
71.08633	1.5
77.60368	1.1
79.05498	51.2
80.05837	1.3
81.03415	1.2
81.07061	93.2
82.07413	2.1
83.04992	2.1
83.08624	11.0
85.06551	2.7
89.06030	1.0
91.05483	26.4
93.07050	53.8
94.07371	1.3
95.04969	5.7
95.08614	74.8
97.06543	4.4
97.10184	2.8
98.22646	2.9
99.08074	1.4
105.04502	1.2
105.07041	18.4
107.08595	28.9
109.06533	3.2
109.10165	30.8
110.10537	1.7
111.11680	1.1
117.07042	4.2
119.08592	13.9
121.10152	26.2
121.32168	1.1
123.08073	2.1
123.11722	8.3
125.09689	1.2
131.08580	9.2
131.70110	1.4
133.10136	11.1
135.08105	1.4
135.11693	15.8
137.09599	1.7
137.13274	3.1
143.08614	1.2
144.97511	1.2
145.10132	6.9
147.11710	7.7
149.13271	9.8
151.14841	1.1
157.10054	1.2
159.11737	5.7
161.13280	6.1
163.14859	3.9
165.12723	5.2
171.11659	1.1
173.13268	5.3
175.14920	1.2
187.14838	3.4
191.14357	1.5
243.21172	5.0
261.22186	7.1
264.64847	1.2
289.21588	2.6
317.25171	1.8
327.46826	1.1
335.25858	91.5
336.26199	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	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03942	4.4
53.43676	0.9
54.55146	0.9
55.01858	1.5
55.05514	24.0
57.03440	25.0
57.07066	3.6
65.03930	3.3
66.69588	0.9
67.05506	100.0
69.03406	1.0
69.07069	22.3
71.05000	1.8
79.05493	48.4
81.03368	1.2
81.07057	94.2
82.07401	1.9
83.04992	1.7
83.08630	7.7
84.71735	1.0
85.06564	1.9
91.05484	24.7
93.07043	56.3
94.07368	1.2
95.04979	4.8
95.08608	70.5
96.08953	1.3
97.06525	3.4
97.10154	2.8
105.04494	1.5
105.07030	16.7
107.08601	29.1
109.06499	2.1
109.10155	29.5
110.10487	1.1
111.08087	2.2
117.07013	4.5
119.08588	11.4
121.10135	21.2
123.08076	1.7
123.11720	10.5
131.08580	8.7
133.10121	10.4
135.11684	14.5
137.13243	3.2
145.10115	5.5
147.11670	6.6
149.13240	8.6
159.11722	3.9
161.13290	4.9
163.14804	3.8
173.13286	4.3
175.14838	2.0
187.14839	3.1
201.34985	0.9
243.21069	4.3
245.39420	0.9
261.22156	9.6
317.24762	1.4
335.25806	91.3
336.19629	0.9
336.26187	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	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03938	5.3
55.05514	21.0
55.66270	1.6
57.03202	2.0
57.03442	26.8
65.03935	4.5
67.05509	98.9
69.07072	22.9
70.40961	1.5
71.04984	2.5
72.55990	1.7
77.63808	1.5
79.05069	3.1
79.05498	44.0
81.07059	89.9
83.04990	1.7
83.08627	12.9
85.06544	4.0
91.04959	3.0
91.05480	28.0
93.07050	57.8
93.07632	3.4
95.04971	3.6
95.08613	78.9
97.06518	3.1
97.10175	3.1
105.04537	1.8
105.07027	17.6
107.08594	28.8
109.06584	2.1
109.10159	33.3
114.79549	1.5
117.07018	4.7
119.08601	15.1
121.10150	22.2
123.08102	1.9
123.11706	13.4
131.08534	9.3
133.10143	11.5
135.11714	18.8
137.13231	2.1
145.10100	7.3
147.11725	9.0
149.13258	10.0
151.14853	2.1
159.11703	4.4
161.13264	7.5
163.14830	4.1
173.13239	5.2
175.14816	2.5
187.14877	4.3
197.94279	1.6
243.21089	4.0
250.12694	1.8
261.22165	10.0
335.25803	100.0
336.26147	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	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03941	4.1
55.01873	2.1
55.05511	29.1
57.03439	23.1
57.07079	6.0
65.03930	3.5
67.05504	91.3
67.69688	1.0
68.05836	1.2
69.03419	1.1
69.06683	1.4
69.07066	26.0
71.04990	2.4
71.08644	1.2
74.09715	4.2
79.05492	62.9
80.05804	1.4
81.03398	1.1
81.07055	93.0
82.07385	2.3
83.04990	3.3
83.08612	10.6
85.06545	2.5
88.01298	0.9
91.05479	35.7
93.07043	68.2
94.07388	1.4
95.04979	5.7
95.08603	79.2
96.08934	2.9
97.06544	4.5
97.10175	5.6
99.08098	1.7
105.04539	1.9
105.07027	25.2
107.04985	3.4
107.08592	37.5
109.06537	3.1
109.10154	35.0
110.10469	1.3
111.08104	2.9
113.09653	1.1
117.07027	8.7
119.08579	21.8
121.10146	27.0
121.11015	1.4
123.08073	1.8
123.11688	12.0
125.09614	1.2
131.08562	12.8
133.10123	18.1
134.10449	1.6
135.08086	1.8
135.11685	18.2
136.11966	1.5
137.09633	1.9
137.13268	2.4
143.08560	2.8
145.10117	11.0
147.11673	9.5
149.09673	1.8
149.13280	10.4
151.14854	1.2
157.10124	2.9
159.11713	8.3
161.13258	7.5
163.14789	6.3
169.10143	2.1
171.11713	2.2
173.13214	7.2
175.14806	4.7
177.16399	2.6
179.14293	1.6
181.10115	1.4
185.13249	1.3
187.14870	4.0
197.13338	2.7
198.06421	1.0
199.14897	1.2
201.16396	1.7
221.13322	1.2
222.14865	2.1
223.15187	3.5
229.40665	1.3
234.94283	1.1
243.21136	7.4
257.66769	1.3
261.22150	10.5
277.19434	1.6
278.21130	1.3
279.18097	1.2
279.21228	5.1
317.24854	5.1
335.25851	100.0
336.26236	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	335.279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09815	0.7
53.03962	1.1
53.54728	0.7
55.05508	8.3
57.03446	6.4
57.07077	33.5
65.03927	1.0
67.05505	30.9
69.07065	9.4
71.05000	1.0
71.08633	26.5
73.06565	3.3
79.05495	15.4
81.07059	30.7
83.04965	1.3
83.08614	6.0
85.10181	24.9
85.10659	1.5
87.04486	1.3
89.06033	100.0
91.05478	9.0
93.07043	18.4
95.04983	2.0
95.08612	21.1
97.06549	1.8
97.10173	2.8
99.11745	3.0
103.57040	0.8
105.04532	0.9
105.07031	7.5
107.07098	4.0
107.08595	10.4
109.06523	1.3
109.10155	9.9
117.07040	2.9
119.08546	6.1
121.10125	7.2
123.11732	3.5
130.08669	2.0
131.08571	5.9
133.08611	31.2
133.10124	5.0
135.08080	1.7
135.11734	4.2
137.09706	1.1
137.13258	1.2
141.16431	1.1
143.08594	1.8
145.10097	4.2
147.11732	2.8
149.13284	3.7
151.09653	4.3
156.09325	1.0
157.10156	1.6
159.11685	2.7
160.54810	1.0
161.13316	2.1
163.14990	1.4
169.10101	0.8
171.11722	1.9
173.13251	4.5
175.14847	1.1
177.11203	5.8
180.03845	0.8
180.81412	0.9
183.11684	1.1
185.19040	1.5
187.14816	1.3
195.12285	16.9
197.13298	1.7
201.16408	1.0
209.13356	1.4
215.58258	0.9
221.13214	0.9
243.21124	2.0
261.22195	3.0
335.25867	28.9
336.26297	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	3.8
55.01869	2.3
55.05512	2.4
57.03434	2.4
61.02928	1.9
63.24131	1.5
69.03442	3.6
70.06579	2.4
70.41479	3.0
70.41790	1.9
72.21301	1.6
77.03919	1.8
79.05490	90.0
80.05801	3.4
81.03410	1.9
81.07037	1.9
85.02887	9.1
91.05471	11.8
93.07037	61.9
93.24193	1.7
94.06589	1.5
95.04967	4.9
96.04462	2.2
97.02878	3.6
97.06501	2.1
105.04509	2.4
105.06983	2.7
109.02841	2.3
110.06053	2.1
121.06499	100.0
121.10114	2.3
122.06824	2.1
126.05515	2.3
127.03918	2.3
130.04944	1.9
139.07533	25.3
145.04942	2.4
162.05461	2.7
167.10669	3.3
174.05519	3.7
191.56187	1.7
196.56157	1.8
199.00064	1.7
204.10004	4.1
217.85262	1.7
254.90199	1.8
300.10556	2.6
318.11499	6.9
318.20639	3.2
336.21735	2.7
337.13870	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0893
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
50.72659	4.9
57.90041	5.1
69.72787	14.3
69.73174	11.2
91.47549	4.7
98.68444	5.7
107.66498	4.5
110.20836	4.6
127.85296	4.8
134.94168	6.0
232.06317	5.2
232.08530	5.7
276.84387	5.1
295.60263	4.7
305.10861	6.9
337.08417	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	337.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23932	2.8
56.96574	16.9
57.03448	3.5
60.60900	3.0
61.02939	4.3
63.08472	3.2
69.03434	17.2
71.28602	4.1
73.02938	5.4
81.03416	13.1
84.96046	5.2
85.02901	28.7
87.04477	7.5
97.02911	10.7
98.97588	71.2
99.04517	4.6
101.00935	3.3
110.97548	24.1
111.04468	6.8
112.99126	50.1
113.05961	5.7
116.98637	9.1
124.99179	4.3
127.03948	7.2
128.98622	12.4
131.00171	36.3
133.01746	3.2
138.05542	5.7
140.98642	5.1
143.00150	8.8
145.04999	5.0
149.01273	10.4
152.98639	6.5
155.00169	4.7
156.06577	9.2
158.99640	23.4
168.03616	14.1
170.99586	7.4
175.02832	4.7
175.04425	3.8
177.00716	8.1
189.00690	5.6
193.03856	6.4
201.00703	9.5
219.01825	33.1
233.55367	3.6
237.02814	40.7
240.05702	4.3
275.04449	10.2
277.05991	12.7
280.20477	3.6
284.06458	3.6
291.57831	7.4
293.05515	12.7
295.07111	26.0
331.03201	3.6
331.17990	3.0
337.08701	100.0
338.08890	4.3
349.04434	4.4
355.09186	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36174	1.5
53.03953	3.8
55.01864	4.9
55.05512	33.8
57.03438	23.9
57.07080	21.6
59.12927	1.6
60.36649	1.6
61.02918	3.0
65.03948	3.2
67.05507	37.5
68.55087	1.7
69.03430	19.9
69.07083	34.7
71.01352	3.6
71.04992	11.1
73.02925	11.2
73.06546	3.8
79.05492	38.2
81.03429	5.5
81.07059	54.7
83.04977	10.0
83.08613	13.9
85.02899	9.8
85.06554	27.2
87.04502	3.1
91.05472	23.0
93.07050	21.9
95.04979	4.8
95.08611	30.0
96.08966	1.8
97.02879	2.5
97.06540	8.7
97.10171	7.0
98.22549	3.1
98.56519	2.3
99.04458	9.4
99.08110	5.7
103.03946	2.6
103.07604	3.7
105.07014	7.6
107.08603	14.0
109.06519	23.2
109.10149	8.9
111.04453	5.9
111.08084	33.3
111.11699	1.9
113.05964	2.2
115.03928	5.3
115.07596	4.6
115.94359	1.7
117.07009	3.1
119.08585	3.2
121.10134	2.2
123.08060	5.0
123.11739	3.8
125.09619	6.7
127.07555	18.0
129.05495	4.3
129.09140	2.9
133.10129	34.0
135.08055	6.2
135.11740	2.3
137.13214	2.2
141.09142	2.4
149.09618	100.0
150.09930	3.4
153.09106	21.2
163.14851	2.6
171.10190	21.9
189.11276	6.4
245.22668	3.2
337.27420	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.0
55.01851	0.8
55.05513	19.0
56.05841	0.8
57.03432	2.2
57.07058	1.8
59.04995	0.9
65.03927	1.0
67.05178	1.1
67.05507	12.3
69.03409	1.1
69.07056	2.9
71.01321	0.9
71.04985	2.3
79.05502	5.5
81.03430	2.6
81.07054	9.1
82.04206	3.9
83.04979	5.8
83.08620	22.6
84.28516	0.8
85.06545	7.8
86.44472	0.7
91.05498	3.4
93.07027	5.6
94.07837	2.9
95.04971	53.1
95.08613	7.5
96.05758	18.1
97.02899	1.2
97.06549	7.2
98.03666	0.9
99.04436	2.3
105.07007	4.0
107.08612	4.5
108.09394	0.9
109.06518	10.2
109.10157	17.7
110.03666	5.9
110.07302	4.3
111.04469	5.8
111.08072	2.6
119.08565	3.6
121.06477	0.8
121.10138	2.5
123.04458	1.6
123.08062	8.1
123.11703	1.5
124.05203	2.5
124.08839	1.6
125.05994	3.0
125.09639	1.0
127.03915	3.0
131.08569	1.5
133.10146	2.0
134.46356	0.7
135.08031	1.2
135.11691	1.7
137.05998	7.2
137.09615	21.8
138.06760	3.4
138.10358	3.3
140.96295	0.7
141.05479	7.9
145.10179	1.0
146.59319	0.8
147.07990	1.4
149.09602	1.4
151.07576	1.4
151.11130	1.7
152.11975	6.4
163.11232	1.3
165.09116	38.7
165.12801	1.7
166.09570	1.1
178.07944	1.0
179.10672	2.6
180.11456	100.0
181.12154	13.5
184.06390	0.7
195.13708	0.9
207.13878	1.3
209.11728	20.0
209.13567	1.4
210.12065	0.9
221.15358	8.9
223.11307	1.1
223.13286	10.2
224.14009	2.2
241.12326	1.3
256.13049	4.3
337.10553	1.3
337.19861	4.5
337.24091	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05307	0.6
53.03938	1.1
54.85761	0.6
55.01872	0.6
55.05515	17.3
57.03432	2.2
67.05505	12.1
69.03429	2.1
69.07055	3.0
71.04960	1.0
74.68968	0.6
78.04704	0.7
79.05500	4.6
81.03449	3.4
81.07056	6.0
82.04187	4.3
82.69780	0.6
83.04967	5.8
83.08156	1.0
83.08619	19.4
84.08952	0.8
85.02893	1.0
85.06544	9.1
91.05497	3.5
93.07034	5.5
93.96078	0.6
94.07806	2.9
95.04968	49.4
95.08611	6.7
96.05763	16.9
97.02909	1.3
97.06553	5.2
98.03656	1.0
98.22570	1.9
99.04462	2.4
105.06999	2.7
107.04955	0.9
107.08598	3.8
109.06522	8.2
109.09453	1.3
109.10155	17.4
110.03661	4.1
110.07310	4.7
110.10488	1.1
111.04443	6.5
111.08069	2.5
113.05991	1.0
117.07016	0.8
119.08589	3.6
119.54459	0.7
121.06519	1.1
121.10124	2.2
123.04452	1.2
123.08082	9.1
123.11723	1.1
124.05186	2.1
124.08807	2.0
125.05989	3.5
127.03901	2.0
131.08594	0.9
133.10101	1.1
135.08049	0.9
135.11717	2.5
137.05984	5.0
137.09612	22.3
138.06726	2.5
138.10397	3.7
139.07536	1.7
139.11205	0.8
141.05476	7.0
149.09660	1.0
151.07487	0.9
151.11191	1.6
152.11931	5.5
163.11182	1.4
165.09109	34.6
165.12740	1.7
166.09470	1.3
167.08574	0.7
167.10652	1.4
179.10693	1.5
180.11447	100.0
180.40906	0.7
181.12170	13.8
191.10620	1.1
206.13000	1.4
207.13792	1.5
209.11743	17.4
223.13263	11.1
224.14021	2.3
224.74959	0.8
256.13025	4.4
337.19937	3.9
337.23892	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	31.4
57.03436	11.4
57.07071	11.1
67.05505	59.0
69.07076	53.0
70.00295	4.7
71.04999	27.2
79.05487	41.5
81.07057	100.0
83.08622	16.7
91.05490	46.6
93.07039	45.8
95.04959	16.4
95.08608	89.9
97.06548	5.9
97.10204	6.0
105.07022	65.5
107.08607	53.0
109.06505	13.8
109.10152	32.6
111.58121	5.1
117.07020	11.2
119.08578	88.0
121.10144	50.2
123.08121	8.1
123.11702	53.2
128.06229	7.0
129.07051	9.8
130.07820	6.3
131.08557	26.5
133.10146	39.0
135.08058	22.7
135.11725	13.8
137.09584	8.6
141.07062	7.4
142.07780	12.2
143.08557	22.5
144.09372	6.6
145.10106	49.9
147.11676	17.3
149.13280	11.5
155.08553	19.6
156.09370	12.2
157.10130	42.2
159.11722	22.2
161.09627	20.5
161.13266	8.4
167.08528	13.0
169.10100	25.0
171.11656	25.2
173.13297	14.6
175.14841	16.9
177.16399	12.7
181.10118	14.0
182.10976	10.6
183.11713	22.8
185.13155	6.3
187.14819	6.4
193.10179	7.3
195.11656	20.5
197.13234	36.1
198.13867	5.7
199.14804	7.0
201.12791	6.6
201.16345	8.9
207.11646	6.8
209.13252	12.3
210.13831	7.6
211.14850	19.4
213.12578	8.2
213.16418	8.2
215.14282	12.8
223.14844	13.8
225.16385	10.8
239.18022	11.8
249.16226	6.9
253.19452	14.8
263.17929	7.9
279.21085	19.2
281.18964	17.6
294.23749	5.8
295.23962	6.1
319.24258	8.8
337.24655	76.1
348.32971	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	337.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	40.6
57.03442	12.7
57.07070	34.7
67.05499	60.5
69.07068	77.6
71.04990	24.1
71.28240	7.3
74.09706	34.9
75.10053	6.5
79.05492	34.2
81.07053	84.0
82.07409	7.4
83.08608	32.5
85.06567	7.3
91.05481	41.6
93.07047	48.4
95.04948	24.2
95.08607	98.1
96.08913	7.7
97.06507	6.9
97.10127	12.5
105.07023	64.7
107.08587	52.4
109.06521	9.8
109.10152	39.7
110.10419	5.6
115.05493	4.8
116.06258	5.7
117.07003	10.9
119.08567	74.2
121.10138	60.3
123.08074	12.0
123.11723	31.5
128.06178	5.5
129.07004	10.2
130.07817	5.5
131.08528	36.5
133.10141	50.3
135.08038	29.5
135.11710	13.4
137.09610	7.3
141.06999	5.0
142.07785	6.1
143.08574	25.1
145.10106	51.8
147.08083	11.6
147.11691	18.9
149.09599	9.9
149.13397	7.6
155.08551	13.7
157.10123	36.1
159.11710	25.1
161.09618	37.0
161.13286	8.9
165.06914	5.7
166.70296	5.6
169.10164	18.3
171.07997	6.2
171.11670	26.8
173.13268	17.2
175.11168	6.2
175.14807	31.0
177.16481	27.5
181.10074	8.2
182.10896	7.9
183.11700	21.3
185.13246	8.7
187.14819	12.1
189.16353	9.3
194.10962	5.3
195.11696	24.5
197.11627	5.1
197.13223	28.7
198.13684	5.8
199.14864	20.5
201.12770	6.8
201.16330	16.7
207.11755	5.9
209.13222	21.0
211.14824	21.0
212.15593	7.6
213.12651	8.4
214.17093	11.8
215.14326	15.6
223.14853	17.5
225.16437	8.8
237.16356	6.3
239.17986	11.0
253.19562	10.8
254.20326	7.0
255.17345	5.7
270.30975	5.1
279.21133	21.5
281.19128	6.8
294.23300	7.4
319.24149	12.0
337.24759	100.0
337.32895	34.9
338.25595	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	337.2737
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03938	3.2
55.01870	2.2
55.05513	44.0
56.27589	1.5
57.03443	22.8
57.07082	9.4
65.03930	3.4
67.05507	95.0
68.05837	1.5
69.07069	46.7
69.36252	8.8
71.04996	3.8
71.08633	2.6
79.05497	27.2
79.33932	1.2
81.07059	88.2
82.07391	2.0
83.04965	2.3
83.08624	27.1
83.09117	2.2
85.06549	4.6
91.05487	18.9
91.27161	1.1
93.07044	24.4
93.07625	1.6
93.57658	1.3
93.62840	1.3
94.07373	1.5
95.04967	5.1
95.08610	72.3
96.08945	2.3
97.06522	7.3
97.10163	12.2
98.22683	2.6
99.08054	3.2
100.11367	1.5
105.07034	14.2
107.08591	15.7
109.06509	1.7
109.10162	33.5
111.08093	3.9
111.11713	2.6
113.06097	1.5
119.08588	12.4
121.10143	15.4
123.08099	2.0
123.11691	11.6
125.09674	2.2
127.11271	1.5
129.05545	2.5
131.08582	3.1
133.10121	8.6
135.11681	9.1
136.85837	1.3
137.09622	1.8
137.13278	4.9
145.10146	2.6
147.11635	7.6
149.09633	1.7
149.13280	4.5
151.11250	1.8
151.14835	2.2
156.60446	1.2
157.10164	2.5
159.11623	1.6
161.13271	4.6
163.14865	4.0
175.14825	2.4
225.25766	1.3
245.22679	5.9
263.23685	6.2
310.18176	1.5
319.26315	3.7
320.05777	1.6
337.14389	2.2
337.27399	100.0
338.27789	6.2
352.15939	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.9
55.01881	2.0
55.05511	35.0
57.03441	22.3
57.07082	6.2
63.08246	1.3
65.03938	1.8
67.05506	83.3
68.05830	1.7
69.03429	1.8
69.07070	43.1
69.51140	2.2
69.51541	6.0
71.04989	2.5
71.08636	3.8
79.05492	25.9
81.03417	2.0
81.07058	84.9
82.07384	2.3
83.04986	3.9
83.08622	23.7
84.04474	1.3
85.06551	3.6
91.05476	12.5
93.07047	19.4
95.04966	5.1
95.08606	76.7
96.05791	1.6
96.08929	1.7
97.06531	20.8
97.10178	12.4
98.22666	2.3
99.08099	2.5
100.86208	1.2
105.07043	12.9
107.08596	14.2
109.06557	2.5
109.10162	28.4
111.08101	2.4
111.11755	4.5
117.07032	1.6
119.08582	9.9
121.10126	11.8
121.10748	1.1
123.11731	17.4
129.05466	2.4
129.06985	1.7
131.08572	2.5
133.10129	7.5
135.11664	7.7
137.09613	3.3
137.13266	5.8
139.11203	1.7
145.10135	2.7
147.11670	6.6
148.84004	1.2
149.13307	5.6
151.14836	2.9
157.10146	1.8
159.11687	1.7
161.13297	4.6
163.14851	5.2
165.12880	1.9
165.16423	1.9
167.93980	1.5
169.92595	1.3
173.13283	1.7
175.14804	2.4
177.16460	1.8
179.18103	1.5
180.11482	6.1
183.11702	2.0
186.61674	1.3
223.11249	1.4
241.12334	2.2
245.22639	7.3
251.10597	2.2
263.23737	10.7
293.15414	4.0
337.18277	5.2
337.27417	100.0
338.27774	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	337.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
55.01863	2.2
55.05512	39.2
57.03162	1.5
57.03437	26.7
57.07078	8.1
65.03937	4.2
67.05505	94.7
68.05821	2.3
69.03189	7.3
69.07066	44.5
71.05003	1.5
71.08617	3.3
76.94289	0.8
79.05488	23.7
81.07054	100.0
82.07386	2.2
83.04967	2.5
83.08620	28.2
84.08939	0.9
85.06525	3.0
91.05473	13.8
92.05821	1.3
93.07043	24.5
95.04947	2.6
95.08604	80.9
96.08916	2.2
97.06534	6.5
97.10165	15.3
99.08084	1.9
105.04536	1.0
105.07026	10.6
105.27115	0.9
107.08593	13.8
109.06501	1.4
109.10155	40.3
110.40881	1.0
111.08086	3.4
111.11713	4.4
113.09634	1.0
119.08574	8.6
121.10134	13.9
123.08073	2.0
123.11694	13.7
125.09657	2.2
129.05481	2.4
131.08513	1.1
133.10143	9.8
135.11688	8.8
137.09622	1.8
137.13263	7.1
139.11182	1.9
143.08549	0.9
145.10138	1.7
147.11676	6.7
149.13260	5.3
151.14874	1.7
152.39459	0.9
161.13278	5.9
163.14836	2.9
165.16325	1.6
175.14809	4.4
177.16357	2.0
189.16411	1.8
216.80656	0.9
245.22614	6.6
263.23685	11.6
337.27341	98.8
338.27646	8.8
338.34128	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	338.1235
Annotation	Indole-3-acetyl-beta-1-D-glucoside
Peak:m/z	Relative Intensity
50.55931	0.3
53.03940	0.7
55.01862	0.5
55.05505	0.4
56.96562	0.8
57.03424	1.5
61.02933	2.1
61.03178	0.3
64.16510	0.3
67.05492	0.6
69.03084	0.6
69.03432	6.6
70.06573	0.4
70.75389	0.6
71.04984	1.4
73.02908	1.4
81.03422	2.9
81.07070	0.5
83.04982	0.4
84.04486	0.9
84.08149	1.0
85.02908	12.0
86.06071	0.4
87.04464	1.8
91.03945	0.7
91.78311	0.4
94.06584	0.6
95.04970	0.5
95.08589	0.7
97.02889	4.8
97.06592	0.4
98.97608	0.6
99.04443	0.7
103.05439	0.6
104.04972	0.4
108.08150	0.4
109.02888	1.5
113.06042	0.5
118.53271	0.4
120.08089	1.2
120.95175	0.4
127.03937	2.3
130.05054	1.7
130.06512	4.1
136.07590	0.6
141.00031	0.4
141.05489	1.0
141.09058	0.9
145.02888	0.4
145.04956	1.5
147.04419	0.5
158.06012	18.0
159.06476	1.4
166.08604	0.6
166.12270	1.3
176.07071	100.0
176.56973	0.4
177.05624	0.6
177.07404	3.3
181.07176	0.3
203.05058	0.8
210.14890	0.9
221.06024	0.5
283.05917	0.7
338.12302	15.8
339.13077	0.6
339.19119	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25110	4.7
53.03951	6.1
57.03431	5.0
60.57722	5.1
61.02922	12.1
67.05493	14.8
69.03435	27.5
69.10484	12.4
69.10886	37.5
70.06592	14.4
71.04990	60.0
78.83109	5.0
79.05504	8.6
80.05015	8.8
81.03402	16.4
81.07057	14.9
84.08142	5.4
85.02901	100.0
91.05499	7.3
94.06551	11.4
95.04967	25.2
95.08603	14.2
97.02879	30.9
97.06497	6.6
98.97587	7.4
99.04460	11.9
100.47314	5.1
105.03747	6.3
109.02870	17.3
113.06010	78.3
120.08067	6.6
123.04388	6.5
123.08043	13.2
127.03917	22.9
134.06062	5.7
135.78177	5.3
136.07544	9.5
138.05496	5.1
141.05467	75.3
141.09111	32.5
142.08603	10.0
145.04990	24.4
158.05994	18.8
159.06540	46.8
159.10179	11.3
176.07106	32.9
177.05487	15.1
201.06650	6.7
234.07813	5.9
243.07443	5.5
275.10953	6.7
321.14569	7.2
338.12140	39.5
339.10480	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	338.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	4.5
61.02930	4.7
64.39525	3.1
65.03939	3.4
67.05507	45.0
68.52443	3.5
69.03421	11.9
69.07047	4.2
69.58385	20.7
71.04990	23.7
79.05534	3.8
81.03426	11.0
83.04997	9.3
85.02921	23.9
95.04965	55.0
97.02916	9.4
98.22623	3.3
98.97594	11.9
99.04463	32.1
109.02872	7.4
113.06025	24.7
123.04431	62.1
127.03916	8.2
141.05470	95.5
141.06534	7.1
145.04958	4.8
159.06526	100.0
176.07149	6.4
232.40273	3.5
274.97647	7.7
339.10632	21.9
339.19061	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	338.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93425	5.0
58.72850	5.6
59.98183	5.0
61.32180	4.8
67.05506	12.8
69.03426	9.6
69.07072	5.9
70.08930	19.7
72.01030	5.3
76.50516	6.0
79.05487	6.3
81.03429	9.1
81.07069	21.7
84.04503	10.4
85.02907	12.8
91.05446	7.7
93.07071	8.4
95.08614	59.9
97.02883	11.3
99.08094	7.1
116.25424	5.8
117.03439	5.7
123.08075	48.4
136.06207	7.6
141.09111	100.0
145.02812	11.4
147.04352	7.0
159.10196	13.9
167.91042	5.0
177.05492	18.6
307.98862	5.6
312.89453	5.9
338.06451	5.9
339.14490	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	3.5
55.01855	3.5
55.05513	5.1
57.03438	7.1
67.05505	24.9
69.03439	13.0
69.04321	32.5
69.07056	4.5
70.06583	5.7
71.04999	100.0
71.25413	3.7
73.02942	4.3
79.05483	9.8
80.04993	4.5
81.03432	10.6
81.07061	47.5
84.04513	8.4
84.08147	4.5
85.02902	15.9
85.06564	5.2
87.00835	3.2
91.05491	6.9
93.07059	5.3
95.04987	4.7
95.08617	8.0
97.02917	13.9
98.22589	4.6
109.02881	4.2
110.06040	5.8
117.03350	3.4
119.04958	6.4
119.08605	10.2
121.02880	6.7
121.06525	3.0
122.06064	10.0
123.11732	12.2
127.03883	3.5
130.05026	11.0
131.04958	3.6
134.06091	3.4
135.08189	4.3
136.06259	4.3
136.07564	7.5
137.06026	3.9
140.07079	4.9
141.12759	60.5
145.02820	10.1
147.04425	14.5
148.07593	4.3
149.09654	7.5
150.05525	4.8
152.07133	4.2
159.09190	9.0
159.13837	27.2
160.07623	7.5
163.03937	4.8
164.07219	5.3
166.08690	3.5
166.12349	6.2
172.09750	9.0
175.87437	3.8
177.05498	22.9
177.09125	5.6
177.14893	24.8
178.05011	4.4
182.08159	4.2
188.07076	3.3
205.09799	6.3
240.12363	4.9
246.05052	3.9
257.65045	3.5
296.15015	6.3
324.99155	3.6
339.11581	9.6
339.15283	11.0
339.18933	8.6
340.13849	6.0
340.17462	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	339.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07837	5.5
53.03943	5.4
53.25217	5.4
55.01876	6.2
55.05507	8.5
57.03437	9.9
63.08760	5.0
67.05505	26.4
69.03429	19.3
69.07054	6.3
69.57281	9.9
69.57688	19.3
70.06602	7.9
71.04993	67.1
74.71039	5.2
79.05511	7.8
81.03419	7.9
81.07059	59.6
82.06606	8.4
84.04502	7.4
85.02899	13.3
85.06546	17.4
88.26873	5.3
91.05484	8.7
93.07085	9.5
95.08588	8.2
97.02926	7.3
97.49551	5.7
109.02946	6.6
117.03389	8.9
119.05002	6.6
119.08580	8.9
121.02867	6.9
122.06033	9.4
123.11718	11.6
127.03967	6.3
130.04979	11.7
135.08063	7.9
136.07539	6.2
138.05574	7.7
141.12740	100.0
145.02826	16.1
147.04390	9.3
149.05971	9.6
149.09612	22.9
154.08646	9.9
159.09166	8.9
159.13818	26.5
162.04202	6.9
172.09756	8.2
177.05447	46.5
177.14894	17.8
201.62073	5.6
203.44887	6.4
274.97620	6.4
307.09085	15.7
321.10880	8.3
321.14456	6.5
337.87592	6.2
339.10703	36.6
339.15143	9.1
339.19168	10.0
340.13739	7.8
340.17645	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	339.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36180	3.4
53.03941	9.8
55.01871	31.2
55.05510	35.4
57.03437	28.7
57.07084	4.6
57.36636	3.7
65.03946	5.1
67.05508	84.6
69.07072	27.4
70.96002	4.6
71.01382	5.6
71.05009	7.2
71.94365	3.2
73.34451	3.7
79.05491	73.9
81.03416	16.6
81.07062	79.8
83.04980	34.4
83.08632	9.5
85.06541	5.1
89.13516	3.5
91.05481	77.8
92.14366	4.2
93.07043	54.1
95.04971	79.6
95.08604	47.2
97.02901	9.0
97.06535	15.8
97.10200	7.7
98.07311	6.6
99.08140	5.7
100.93423	3.8
103.05478	3.9
105.07031	57.3
107.04957	100.0
107.08609	30.5
108.05793	6.6
109.06518	50.9
109.10146	23.1
111.04445	9.6
111.08083	12.4
112.05233	13.5
113.06020	11.5
115.05460	3.8
117.07021	31.3
119.04948	5.7
119.08589	37.3
121.06519	23.5
121.10138	20.0
122.07307	22.8
123.04420	11.4
123.08063	15.4
123.11728	8.9
128.06256	7.9
129.07024	12.5
131.08568	45.4
133.06468	27.9
133.10107	20.8
135.08069	24.1
135.11713	8.7
137.09639	8.9
139.04782	3.7
141.07022	3.9
143.08617	8.9
145.06480	19.5
145.10112	23.0
147.08081	29.9
147.11708	9.1
149.02367	6.8
149.09639	10.6
149.13364	3.8
151.07602	5.9
151.11189	8.6
155.08557	9.1
157.10135	8.9
159.11691	11.2
161.09636	23.2
163.11166	11.7
165.09135	11.3
169.10115	5.1
171.11739	11.3
172.30544	4.5
173.09743	4.3
173.13278	9.3
175.11232	4.5
187.14798	9.5
189.12675	5.7
193.05031	11.0
197.13260	10.6
203.14330	5.0
205.15915	10.7
215.14293	17.8
233.15340	83.4
259.20288	4.1
265.17932	40.8
273.18460	10.5
289.18073	4.7
290.18631	8.9
304.20148	5.4
305.21149	8.5
312.33060	3.8
339.27814	20.5
339.77847	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	339.249
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06595	0.9
60.08166	4.4
63.51305	0.2
69.03424	0.7
69.61913	1.2
84.91208	0.5
85.02921	0.8
88.35491	0.3
97.02881	0.6
98.23380	0.3
98.97582	0.5
104.10745	100.0
105.11084	1.9
153.03123	0.3
178.04933	1.0
219.01865	0.3
249.06152	0.4
250.06808	0.2
301.00183	0.2
302.91199	0.3
339.04990	0.6
339.08832	5.9
340.09274	0.6
340.66122	0.3
354.95587	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	2.8
57.03425	2.0
60.08167	3.8
61.02927	1.4
62.06065	1.7
69.03427	9.4
70.06596	1.6
77.22083	1.2
81.03403	6.4
82.54897	1.5
83.05003	2.4
85.02909	12.0
97.02888	5.4
98.97589	6.0
99.04442	2.1
104.10747	100.0
105.11071	1.5
112.99142	2.3
119.01908	1.9
127.00545	1.4
127.03925	1.9
131.00159	1.8
131.01910	2.3
141.04039	1.6
143.00172	1.7
143.01912	1.8
147.55167	1.4
155.02005	2.5
158.99643	2.1
168.03607	2.7
169.04407	1.8
170.99715	1.7
177.00714	2.9
178.04903	2.6
183.05031	1.3
201.06125	1.9
203.03993	1.5
204.04221	1.3
213.06042	2.4
213.49683	1.3
219.01695	3.5
221.05116	1.5
237.02925	1.3
249.06258	3.1
259.07632	2.1
274.07941	1.5
303.09186	8.6
339.05396	2.1
339.08994	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2529
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
50.70345	0.8
53.03943	2.0
55.05512	47.2
57.03436	2.7
57.07065	2.5
58.54729	0.8
60.09238	0.8
60.85725	0.7
67.05500	8.0
67.21770	0.8
67.50783	0.8
69.02277	1.8
69.02688	6.2
69.03420	2.4
69.07067	19.6
71.04996	1.4
71.08632	0.9
77.36581	0.8
79.05487	3.8
81.03421	2.4
81.06586	1.5
81.07055	21.7
83.04992	1.1
83.08652	4.6
85.06539	3.7
91.05475	1.5
93.07051	9.3
93.64973	0.8
95.04987	1.9
95.08607	28.6
97.06547	6.3
97.10171	100.0
98.10506	3.0
99.08083	2.7
101.06019	2.8
105.07040	6.4
107.08591	8.4
109.06534	1.6
109.10156	12.1
111.08086	2.4
111.11705	1.9
119.08582	6.1
121.06477	1.8
121.10145	5.7
123.08067	3.0
123.11710	6.9
125.09622	18.1
133.10100	4.1
135.08066	0.9
135.11728	4.0
137.09633	3.6
137.13248	1.3
138.48799	0.8
139.11143	4.1
140.11571	1.1
141.09102	2.0
143.10677	36.9
144.96260	0.8
145.10110	2.1
147.11671	3.6
149.09607	1.3
149.13271	3.4
151.07489	1.8
151.11168	1.5
151.14821	3.9
153.09099	1.0
153.38937	0.8
157.10217	1.1
157.12254	2.3
159.11710	2.7
161.13254	3.6
161.28630	0.8
163.11182	1.2
163.14830	1.9
165.09145	1.6
165.12741	2.3
167.14284	3.3
167.15578	0.9
171.10146	4.4
173.13257	1.9
175.14818	1.6
177.12749	2.5
179.10771	1.0
179.14323	4.3
187.14870	1.3
189.11185	5.7
191.14372	0.9
193.09105	0.8
195.13788	1.4
237.65860	1.0
241.75121	0.9
263.60959	0.8
265.17999	0.9
275.23706	2.3
285.22131	1.3
293.24643	1.9
303.23068	6.1
311.13419	1.1
321.24234	35.3
322.24619	2.3
331.62534	1.1
339.12134	1.9
339.25156	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	339.2893
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
53.03926	2.1
54.70612	0.7
55.01864	1.1
55.05514	31.3
56.05856	0.8
57.03439	13.6
57.07076	13.4
67.05506	25.1
69.07069	43.8
71.04990	2.1
71.08633	7.9
71.28836	1.0
74.16819	1.0
79.05498	11.0
81.07056	25.3
82.96367	0.9
83.04961	2.7
83.08623	28.0
85.06536	1.3
85.10180	3.0
91.05479	2.0
93.07050	13.5
95.08608	26.7
97.06519	3.4
97.10175	16.1
97.40429	0.9
99.08083	1.5
105.07015	1.8
107.08592	7.9
109.10153	11.1
111.08079	1.7
111.11729	5.3
119.08583	1.4
121.10129	11.7
123.11670	4.4
125.09591	2.0
129.07031	1.2
133.10074	1.4
135.11705	10.1
139.11206	2.0
149.02126	1.0
149.13243	5.4
153.12766	1.5
163.14871	1.6
170.03159	1.2
172.84087	0.9
247.24365	1.7
265.25275	4.3
269.93060	0.9
279.20911	1.1
283.16943	1.7
339.28946	100.0
340.29230	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	339.2892
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
53.03938	1.9
55.05515	51.9
55.56393	1.2
57.03162	1.5
57.03439	24.7
57.07079	24.2
59.04989	1.3
67.05508	33.0
67.58516	1.3
69.01390	10.1
69.07072	66.1
71.04995	2.6
71.08628	10.3
72.08137	1.5
79.05502	14.7
81.06584	2.2
81.07055	39.1
83.04987	1.3
83.08621	44.8
85.06544	2.8
85.10199	5.6
91.05476	3.0
93.07041	19.3
95.08611	37.3
97.06528	6.5
97.10175	24.2
99.08149	1.8
107.08590	10.0
109.10155	16.7
111.08075	3.5
111.11733	6.4
121.10151	13.9
121.98730	1.1
123.11694	5.5
125.09631	2.8
125.13358	1.2
135.11687	11.6
137.13312	2.0
139.11177	2.1
149.13287	5.3
150.89865	1.2
153.12723	1.4
163.14822	2.6
167.14325	1.4
177.16368	1.8
247.24208	3.8
265.25400	6.4
310.56616	1.3
339.28934	100.0
340.29251	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	340.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.6
55.01856	4.2
56.96559	5.7
57.03416	4.0
61.02907	6.5
63.22303	1.7
65.74608	2.1
67.05516	3.5
68.99784	4.0
69.03086	2.8
69.03433	35.8
69.07051	2.7
69.92384	2.3
69.92731	6.5
71.04982	5.1
73.02908	2.5
79.05501	3.1
81.03419	21.2
83.01362	2.3
83.04989	3.7
84.04504	2.0
84.96022	2.9
85.02909	81.2
85.06516	1.8
86.03249	2.0
87.00832	31.6
87.04455	3.0
94.06564	2.3
95.04963	5.1
96.04510	2.5
97.02890	31.4
98.97579	10.9
99.04440	12.0
104.04970	3.1
105.01865	53.2
105.07017	2.9
107.04935	3.0
108.28709	1.7
109.02876	21.9
110.97582	2.0
116.98627	5.4
119.04900	2.3
119.08577	2.2
120.08096	4.5
121.06523	2.0
126.05531	2.6
127.03918	52.8
128.98569	2.0
133.10092	2.0
135.08156	2.8
137.02324	6.8
137.05984	7.4
137.09560	2.5
145.02806	2.9
145.04971	28.4
146.03160	2.4
147.04442	2.8
151.07567	2.2
158.99648	2.9
159.02895	5.2
160.03835	2.7
161.05969	2.2
163.03893	4.3
166.08630	2.5
171.02881	2.0
175.08763	2.8
177.05463	4.3
178.04980	100.0
179.03484	2.6
179.05302	4.5
187.07535	3.0
196.06061	3.9
219.01707	2.1
231.04947	12.9
232.05005	3.2
237.02824	4.0
249.05972	3.9
266.39185	2.0
283.83978	1.8
291.10229	2.4
294.13388	3.1
296.15067	2.1
304.12000	2.0
323.12634	3.0
340.13974	10.0
340.17593	6.4
341.11902	7.0
358.07986	6.1
359.02887	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	340.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89623	14.4
51.01152	13.3
55.05518	20.0
57.07071	39.2
67.05493	48.6
69.47218	92.0
79.05513	18.8
81.07064	49.8
82.54255	14.0
91.05471	49.5
93.07052	31.9
95.04997	25.3
95.08625	24.6
102.09193	16.6
105.07033	29.4
107.08596	41.7
109.06528	16.5
109.10164	62.0
119.08544	16.1
121.06503	17.3
121.10152	23.0
121.64301	15.5
133.10129	50.7
145.10120	19.8
149.02373	37.5
151.11131	31.9
193.04897	41.1
225.75801	17.8
255.64600	14.6
339.77893	100.0
339.81363	16.7
340.28250	26.0
341.21283	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.9879
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	7.4
69.71237	1.2
69.71647	1.9
98.97582	67.6
99.97906	0.8
114.95543	1.3
116.98620	24.5
122.53825	0.5
134.99657	5.5
136.22372	0.6
141.29326	0.6
156.96608	4.7
174.97653	16.6
175.97766	0.7
190.95671	1.3
192.98700	9.8
193.00314	0.8
193.98846	0.6
196.94560	0.7
198.97600	4.3
208.96733	0.8
214.95638	11.3
215.95676	0.7
216.98697	44.3
217.98888	3.5
219.01958	1.1
229.36296	0.5
232.96706	13.6
233.96738	1.2
234.99745	56.4
235.99864	3.3
236.02248	0.5
237.00546	0.6
238.95622	1.8
250.97781	5.8
251.98074	0.7
253.00807	1.1
256.05585	0.6
256.96683	19.3
257.96884	2.6
258.99753	8.5
259.99875	1.0
274.97739	35.1
275.97849	3.8
277.00812	12.0
278.00830	0.9
280.96857	2.4
289.96451	1.0
292.98782	4.6
298.97739	66.2
299.97800	7.3
307.97662	0.7
316.98804	100.0
317.98923	12.2
334.99896	3.2
340.00400	1.8
340.98788	16.1
341.02859	1.1
341.99054	2.2
358.99850	37.7
360.00104	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	341.0867
Annotation	AESCULIN
Peak:m/z	Relative Intensity
55.01858	0.4
57.03429	0.3
61.02915	0.4
63.19656	0.2
69.03416	0.9
70.46243	0.3
70.46574	0.5
73.04739	0.3
77.03946	0.3
81.03400	0.8
85.02904	3.6
87.04440	0.3
89.03887	0.6
97.02885	1.2
99.04431	0.5
105.03400	0.9
109.02882	0.6
117.03368	0.5
123.04430	11.5
124.04774	0.4
127.03904	0.7
133.02852	9.7
135.04405	1.6
137.02377	0.2
137.06009	0.4
145.04956	1.0
151.03914	3.2
154.08647	0.4
155.92123	0.2
163.06035	0.5
179.03394	100.0
180.03719	3.6
251.10973	0.3
341.08359	0.6
341.12198	1.1
341.17419	0.3
359.02872	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95375	0.2
51.18650	0.2
51.66456	0.2
53.03942	0.6
53.44794	0.2
55.05500	0.4
56.96577	0.2
57.11905	0.2
61.02929	0.5
69.03427	2.5
70.01541	0.8
70.06573	0.2
71.04995	0.3
71.54036	0.2
72.08147	0.2
73.02901	0.3
73.04744	0.8
77.03925	0.3
79.05476	0.7
81.03419	2.1
81.07052	0.5
83.04971	0.3
84.04518	0.3
85.02909	3.1
89.03936	0.5
90.92769	0.2
91.03962	0.2
91.05830	2.0
95.04988	0.5
97.02885	1.4
99.04482	0.6
103.05408	0.3
105.03386	0.6
105.07034	0.8
107.04983	0.4
109.02871	0.8
111.04430	0.3
121.06403	0.2
123.04427	10.6
124.04755	0.3
127.03908	0.7
133.02853	9.1
133.06477	0.5
134.03209	0.3
135.04404	2.0
137.02339	0.6
137.05959	0.6
145.04953	0.6
149.05928	0.3
151.03900	4.2
151.07446	0.3
161.05984	0.5
179.03389	100.0
180.03745	3.9
291.10257	0.3
341.08356	0.6
341.12042	4.4
342.12302	0.3
342.99820	0.4
359.02869	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1383
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
51.09684	1.2
53.03942	1.4
55.01870	1.8
70.24162	2.4
70.24493	2.6
71.04987	1.6
79.05486	3.1
81.03417	2.0
81.07034	2.4
83.04988	1.6
85.02894	3.4
91.05484	5.2
93.07027	1.3
94.04176	3.5
95.04993	2.4
98.23225	1.5
103.05477	3.2
105.07043	2.1
107.04950	3.1
109.06515	3.9
111.04490	2.0
115.05457	1.5
117.07000	1.3
119.04977	1.5
119.08526	1.4
122.03651	12.0
125.05946	1.4
128.06233	3.1
129.07030	13.4
131.04953	3.6
131.08568	2.6
133.02826	2.0
137.05977	100.0
138.06313	2.6
143.04968	1.4
143.08603	1.9
144.05714	3.6
145.06448	1.5
146.07202	1.6
149.05968	2.7
151.03944	2.4
151.07503	6.3
153.05473	2.9
157.06461	7.9
157.33247	1.3
158.07298	1.9
159.04442	1.2
160.05203	2.7
161.06006	2.9
161.09486	1.6
163.03850	1.8
163.07521	3.0
165.05463	2.4
171.08102	1.4
172.05200	8.3
173.06017	1.1
174.06760	13.8
175.07568	12.0
177.05490	1.8
179.07016	2.0
182.16531	1.2
185.05959	1.6
187.07538	46.6
188.08263	2.9
189.09128	20.7
190.07774	1.8
191.08531	5.4
199.07547	5.7
202.06175	1.5
202.07803	4.6
203.08595	13.0
205.06540	2.9
207.07970	2.1
208.08865	3.0
211.07524	3.7
213.05412	1.7
217.08586	27.5
217.10547	1.9
218.07298	1.7
219.08005	13.1
220.08914	6.9
221.06042	1.6
222.06830	1.4
225.09042	1.4
227.07016	3.8
231.08012	15.9
232.08725	3.4
233.06120	2.4
233.09590	1.8
235.07622	2.4
236.08389	3.4
237.09091	3.1
239.06961	3.7
240.07808	2.3
247.07567	10.4
248.08305	15.1
249.05522	1.3
249.09134	2.4
250.06207	2.3
251.10727	6.4
253.08720	3.4
255.06610	3.5
256.07208	2.1
259.07501	5.7
260.08286	4.0
261.09076	4.4
263.10635	14.2
264.07785	4.3
264.10696	1.3
265.08588	4.9
265.52414	1.2
268.07434	2.8
269.07965	2.2
270.08862	7.5
271.09668	7.9
276.07761	9.0
277.08530	4.2
279.10165	17.8
280.10855	3.2
281.08142	4.3
283.09711	2.6
291.10190	37.9
292.10849	4.8
293.08066	5.7
293.11392	2.1
295.09558	1.4
296.10403	11.1
297.11142	3.8
308.10504	4.2
309.11133	2.9
311.12781	19.2
312.13074	1.4
313.14597	1.5
315.39413	1.1
323.12738	38.4
324.13074	2.5
341.13870	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1572
Annotation	His Gln Gly
Peak:m/z	Relative Intensity
55.01870	1.0
55.05526	2.4
57.03437	1.0
67.05507	2.0
69.03431	0.8
69.07063	1.4
71.28236	0.6
73.04781	0.8
79.05495	0.8
81.03397	1.2
81.07072	2.5
83.05003	0.8
83.08634	1.3
84.04530	0.5
85.02921	1.3
85.06556	0.6
86.06068	0.8
88.32401	0.6
89.15314	0.6
91.05464	1.5
93.05379	0.4
93.07053	1.7
95.04988	0.8
95.08626	2.2
97.06551	3.2
97.10165	0.5
100.11256	4.7
101.52401	0.5
105.07065	1.0
107.04922	0.7
107.08575	1.5
109.10165	1.1
111.04440	0.8
119.04866	0.6
119.08644	0.5
121.02888	0.7
121.06528	0.5
121.10156	1.6
123.08188	0.5
127.03887	0.5
131.08597	0.7
133.10101	0.7
137.05972	1.7
137.09653	0.6
145.10149	0.6
161.09615	0.5
162.06744	0.7
165.07036	0.5
170.09650	0.7
173.13387	0.6
182.15456	1.4
183.15808	0.6
187.07549	0.7
198.09129	1.0
199.07753	0.7
209.16417	0.6
210.14919	1.1
211.15216	0.6
227.17680	0.7
265.08817	0.6
277.15533	0.6
277.23022	1.8
277.73306	0.6
297.11435	0.9
323.14734	7.4
324.14920	0.6
341.15738	100.0
342.16180	6.8
342.78665	0.5
344.30484	0.7
359.03104	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43148	0.6
53.03942	1.4
53.06694	0.7
55.01877	1.1
55.05515	7.2
57.03431	2.3
61.02928	1.2
65.86144	0.5
67.05506	7.8
69.03429	22.4
69.07037	0.9
70.03743	0.6
70.06589	3.0
71.04990	6.0
71.29156	0.8
79.05499	1.7
80.05014	1.7
81.03406	2.5
81.07056	2.3
83.04980	100.0
84.05339	1.2
85.02901	8.5
85.06550	1.0
91.05480	2.1
93.07069	1.2
95.04964	15.1
95.08610	1.2
97.02884	3.1
97.06509	2.1
99.04445	0.9
103.04005	0.7
103.05468	1.4
105.03401	0.7
105.07052	3.0
105.47941	0.6
105.48659	0.6
107.04953	2.6
107.08608	1.3
109.02872	1.9
109.06507	3.9
109.10148	5.7
111.01566	0.6
111.04452	1.0
111.08097	1.2
113.06009	13.7
114.05552	2.3
114.06286	0.6
115.05401	0.7
117.06968	0.9
119.04967	1.5
119.08596	1.4
121.06539	1.0
122.51082	0.7
123.04434	1.8
123.11724	1.4
127.03925	7.2
129.06972	0.7
131.04892	0.8
131.54897	0.6
133.02870	1.2
133.06462	1.1
133.10150	1.5
135.04346	0.8
136.04930	0.6
136.30902	0.7
137.05971	8.1
137.09604	16.9
141.05460	9.1
147.04372	1.8
149.06001	0.7
151.03932	0.9
151.11148	4.1
155.07031	0.9
161.05981	1.5
161.09628	0.9
163.03900	2.2
167.45761	0.7
175.07574	2.7
178.05006	1.3
179.03654	1.1
179.05344	2.9
179.10667	40.1
180.11043	2.4
187.07591	1.3
189.09282	0.7
197.11728	50.9
198.09233	1.3
198.12112	2.2
217.08499	0.7
219.08092	1.1
221.05968	1.0
247.07664	0.6
251.10706	0.8
253.04869	0.8
263.12857	2.0
281.04391	1.2
281.07779	1.0
291.10196	0.7
299.05576	0.9
305.13876	1.5
306.13934	0.9
309.08359	0.7
323.05576	0.8
341.06610	1.1
341.10254	3.1
341.15762	15.4
342.16428	1.0
353.05740	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.01869	1.0
55.05512	6.9
57.03449	1.8
61.02914	1.1
61.19410	0.4
61.62789	0.4
65.03943	1.0
67.05514	6.2
68.99776	0.4
69.03434	20.8
69.07079	0.9
69.19318	0.4
69.49601	0.9
69.50008	1.2
70.06602	1.4
71.01369	0.6
71.04996	5.2
73.04737	0.6
79.05503	1.0
80.05021	1.6
81.03429	2.0
81.07063	2.1
83.04986	100.0
84.05313	2.5
85.02906	9.9
85.06543	0.6
87.04443	0.3
91.05460	3.3
93.07040	1.9
94.06569	0.5
95.04977	12.7
95.08629	0.8
97.02898	3.1
97.06515	2.0
99.04445	1.0
103.05487	1.3
105.03410	0.4
105.07045	1.7
107.04984	1.4
107.08582	1.4
109.02885	2.7
109.06512	3.2
109.10178	5.4
109.63095	0.4
111.08089	0.6
113.06013	13.8
114.05524	2.0
117.07045	0.7
119.04950	1.3
119.08589	0.8
121.02866	0.5
121.06506	1.0
122.07295	0.4
123.04459	2.1
123.08140	0.5
123.11713	0.7
127.03921	7.3
127.07572	0.4
128.06223	0.4
129.07024	0.7
131.04927	1.1
133.02895	0.6
133.06461	0.5
133.10149	2.3
135.04393	0.7
135.08052	0.6
137.06003	6.1
137.09624	17.1
137.10701	0.8
141.05466	8.2
145.05003	1.8
147.04482	1.3
149.05949	0.6
151.03973	0.6
151.11182	3.8
155.07082	0.6
159.04443	0.4
161.06021	1.6
161.09608	1.3
163.03943	1.7
163.07582	0.5
165.07005	0.8
175.07619	2.2
177.09042	0.5
178.05020	0.7
179.03438	1.3
179.05374	1.4
179.10680	36.6
180.11023	1.4
187.07553	1.8
189.09050	0.4
191.10745	0.4
193.04950	0.5
195.08142	0.4
197.11743	47.8
198.12122	2.3
219.08012	0.6
221.06021	0.9
235.07622	0.5
235.09781	0.4
247.07533	0.5
248.08224	0.4
251.10635	0.5
254.11732	0.5
263.07132	0.4
263.12848	1.3
270.08807	0.5
271.09558	0.5
277.15366	0.6
281.82111	0.4
285.60382	0.4
291.10165	1.2
299.05560	0.6
305.04645	0.5
305.13837	1.8
313.11063	0.6
323.05704	0.4
323.12338	0.5
324.08798	0.7
341.06494	0.6
341.10324	2.3
341.15741	17.3
342.16074	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.1
55.01867	8.1
55.05511	71.8
59.04993	5.7
65.03928	7.1
65.70824	3.1
67.05504	32.3
69.03418	13.6
69.07067	9.1
71.01366	3.3
71.04998	7.5
71.31134	3.3
79.05495	37.5
81.03413	7.4
81.07046	20.6
83.04987	13.3
83.08616	73.6
83.59722	3.2
87.04493	5.6
91.05460	33.2
93.07053	30.5
95.04970	96.9
95.08604	27.4
97.06534	44.5
98.06834	4.3
105.07025	66.6
107.04958	10.6
107.08587	55.1
109.06516	11.1
109.10163	13.8
111.08106	11.6
113.09635	18.2
115.05466	7.9
117.07018	28.8
119.04948	3.3
119.08586	26.8
121.06503	14.2
121.10155	11.6
123.08083	8.4
125.09646	18.3
128.06244	7.5
129.07031	28.0
130.07785	12.8
131.08557	29.3
133.06491	13.0
133.10146	9.2
135.08093	6.8
139.11195	15.3
141.06995	11.3
142.07748	15.1
143.08554	30.0
144.09346	22.9
145.06476	12.0
145.10120	98.3
145.11258	5.0
146.10524	6.3
147.08009	7.4
149.02361	12.1
149.06021	4.4
149.09589	4.5
153.07068	4.6
153.09050	6.9
154.07785	6.1
155.08557	12.5
155.10651	18.2
156.09317	7.2
157.10126	29.6
158.07294	15.3
159.08051	13.6
159.11710	34.4
161.09618	6.6
163.11165	7.1
165.06981	4.3
169.10095	28.9
171.08067	9.1
171.11665	17.5
172.08852	10.0
173.09615	42.0
175.11259	4.8
179.14287	6.2
181.10118	15.6
181.12296	10.7
182.07220	3.3
182.10846	4.3
185.09601	7.8
185.13269	8.8
187.11165	28.3
189.12756	6.9
193.04965	9.1
194.10857	4.2
195.11720	6.8
195.13669	3.7
196.12440	7.3
197.09758	8.0
197.11678	8.2
197.13318	8.9
199.11186	12.5
207.11664	3.5
208.12567	5.7
211.14806	17.6
213.12811	3.7
215.10742	8.1
221.13445	7.3
221.15500	5.2
221.18166	3.2
223.14789	4.1
224.11833	3.2
225.12735	5.7
237.16400	4.2
239.14346	11.9
241.15981	4.5
247.14813	5.4
255.17383	6.4
265.15750	5.1
271.20450	3.7
281.18976	6.6
283.16910	4.3
297.18423	6.4
299.20093	11.7
312.20749	6.8
313.21490	7.9
323.20157	3.6
341.21133	100.0
341.28506	9.2
342.21298	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	341.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75013	3.6
53.03941	4.8
55.01873	7.7
55.05511	57.1
57.07075	4.7
59.05014	3.0
64.21333	3.0
65.03938	3.6
67.05511	28.0
69.03428	10.2
69.07076	15.8
69.45844	11.0
69.46253	7.8
71.04999	6.9
71.08631	6.3
73.02216	3.2
78.65051	3.5
79.05491	35.7
81.03419	4.6
81.07056	20.4
83.04976	13.0
83.08627	46.0
85.06590	3.8
87.04461	3.6
91.05444	28.6
92.49585	3.2
93.07032	23.7
95.04968	87.8
95.08604	21.0
97.02885	7.2
97.06533	29.5
99.08076	5.6
103.05488	4.2
105.07027	51.1
107.04976	4.2
107.08598	41.0
109.06528	5.2
109.10157	16.2
111.04500	4.2
111.08101	8.1
113.09657	10.5
115.05456	6.8
117.07034	21.9
119.08583	27.7
121.06520	16.4
121.10133	16.7
123.08069	9.8
125.09629	17.1
127.11162	3.3
128.06232	7.0
129.07019	17.9
130.07794	14.9
131.08604	25.8
133.06506	9.8
133.10127	10.0
135.08002	6.6
135.11658	4.9
139.11192	13.5
141.06989	9.4
142.07785	12.7
143.08568	22.7
144.09369	12.8
145.06502	12.2
145.10129	100.0
147.08081	12.6
147.11708	4.0
149.02382	4.5
149.09656	8.0
151.07545	6.6
153.07048	5.5
153.09109	6.2
154.07779	6.8
155.08569	11.2
155.10684	14.3
156.09344	8.1
157.06474	3.5
157.10127	32.0
158.07245	6.6
159.08052	10.1
159.11702	24.0
161.09660	4.3
165.06961	4.9
166.07724	3.9
167.10660	8.4
169.10117	35.4
170.10823	5.5
171.08052	9.6
171.11720	13.7
172.08797	5.0
173.09604	30.4
178.07774	3.6
179.08583	3.7
179.14305	6.7
180.09383	3.2
181.10178	10.6
181.12198	18.2
183.11603	7.3
185.09668	6.4
185.13202	5.0
187.11224	18.8
189.08987	3.9
189.12750	6.0
193.05034	4.0
193.10089	4.5
195.11710	7.6
196.08850	3.9
197.09705	6.5
197.11644	6.5
197.13255	8.1
199.11288	4.0
199.14868	4.1
209.13188	4.3
211.14807	10.8
213.12738	4.5
215.10733	6.4
221.13290	9.1
221.15370	7.8
223.14728	6.8
233.15651	4.2
235.14909	3.6
237.16380	4.1
239.14388	7.5
255.17606	4.1
265.15662	7.1
283.16940	5.8
297.18692	4.4
299.20047	9.5
312.20911	4.1
318.50043	3.6
323.20081	7.2
331.54446	3.7
341.21036	78.2
342.21469	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	341.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.6
55.01870	2.4
55.05517	9.8
57.03415	1.6
57.07065	4.2
59.04971	1.3
65.03931	1.3
67.05505	15.4
69.03440	6.0
69.07069	7.4
69.10638	2.2
69.11027	8.9
71.01369	1.4
71.04983	3.8
71.08633	12.5
74.53436	1.0
79.05491	16.2
80.64535	1.0
81.07055	21.3
83.04967	5.1
83.08597	3.3
83.94181	1.1
85.02921	2.1
85.06538	3.1
91.05473	13.1
93.07040	25.2
95.04972	9.7
95.08617	14.5
96.05746	4.4
97.02891	12.4
97.06514	5.6
99.08081	7.7
105.07021	9.3
107.04971	1.6
107.08595	6.8
109.06547	8.2
109.10143	4.6
111.04447	18.8
113.06001	3.0
113.29662	1.2
117.07051	2.1
119.08584	5.2
121.06504	12.7
121.10143	11.7
123.04412	3.4
123.08074	4.9
123.11674	1.8
124.05198	3.7
125.05985	3.9
129.06998	2.2
129.24809	1.3
131.08557	14.4
133.06509	1.8
133.10162	3.1
135.08093	2.9
137.05994	1.2
137.09659	2.8
139.11252	2.6
143.08580	2.6
145.10080	2.4
147.08075	2.4
147.11752	2.2
149.02338	6.5
149.09630	13.5
151.11232	1.4
157.10153	1.5
158.07198	1.1
161.13248	4.2
163.11130	2.8
165.12769	11.2
167.10684	4.2
169.22989	1.4
171.11649	2.5
175.11162	1.3
176.20882	1.2
179.14326	1.9
181.12234	100.0
182.12547	3.6
185.13177	1.8
189.12749	2.2
191.14368	1.5
193.04977	2.8
205.12273	1.4
207.13841	2.4
213.12766	1.5
214.15581	1.2
277.21680	1.2
305.21091	8.4
306.21637	1.8
307.22522	2.4
323.22299	2.2
341.06512	1.9
341.20938	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
53.93652	0.6
55.01859	2.5
55.05513	11.4
57.03429	1.4
57.07075	5.9
59.04990	1.0
64.18855	0.6
65.03938	1.8
67.05508	15.4
69.03429	5.8
69.07069	7.2
70.91203	0.5
71.04998	3.3
71.08631	11.8
71.29918	1.0
77.03916	0.6
79.05495	15.3
81.07057	18.4
82.07392	0.8
83.04964	5.0
83.08613	2.9
85.06540	2.6
91.05476	12.3
92.05834	0.8
93.07043	22.8
95.04967	8.6
95.08608	15.7
95.09129	0.5
96.05730	3.0
97.02897	14.2
97.06535	6.4
97.10133	1.2
99.04459	0.8
99.08102	7.5
99.43739	0.7
103.05458	1.1
105.03440	0.7
105.07027	10.7
107.04948	1.7
107.08587	6.3
109.06525	8.5
109.10168	4.7
110.07321	1.1
111.04448	17.4
111.08076	2.0
113.05981	4.8
116.06281	0.6
117.07014	0.8
119.08567	6.3
121.06507	14.6
121.10140	12.7
123.04427	5.3
123.08080	5.6
123.11672	1.6
124.05191	3.9
125.06025	3.6
125.09621	1.1
129.07013	2.1
131.08562	15.8
133.10126	2.8
134.97540	0.6
135.08044	3.8
135.11713	1.8
137.05959	2.3
137.09610	2.0
139.11200	1.8
142.07828	0.9
143.08551	1.6
145.06520	0.7
145.10107	3.0
147.08070	2.0
147.11699	1.8
149.02348	7.3
149.09625	14.5
151.07526	1.3
151.11203	1.2
159.11732	1.0
161.09677	1.2
161.13249	2.0
163.11185	2.0
165.07036	0.8
165.12773	9.7
167.10661	5.0
168.11472	1.2
169.10152	0.9
171.11714	1.5
173.13138	0.7
175.11244	0.8
175.14819	0.9
177.12750	1.4
179.10718	1.0
179.14252	3.3
180.11401	1.0
181.12234	100.0
182.12556	3.9
185.13171	0.9
189.12756	2.6
191.14349	2.4
193.04944	4.3
193.12193	1.3
199.11217	0.7
207.13820	3.1
213.12849	0.8
225.14792	1.1
235.32172	0.7
253.14401	1.3
277.21542	1.7
287.19931	0.8
297.03918	0.8
305.21078	9.3
306.21753	1.3
307.22760	3.5
323.22156	2.8
324.22913	0.8
341.06570	3.3
341.10315	0.7
341.20901	1.5
342.12143	0.7
355.73685	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50994	2.0
55.05516	6.4
57.03455	2.4
57.07076	28.3
65.03951	2.7
67.05511	22.8
69.07054	4.4
71.08641	11.3
71.28735	2.7
81.07069	7.6
83.08610	3.9
85.06545	100.0
85.10189	2.6
88.08796	1.7
91.54184	1.9
93.07060	3.5
95.08612	7.2
105.07027	3.1
109.10155	4.0
111.08101	2.2
123.11725	2.1
145.10117	2.2
151.97079	1.7
171.11601	2.4
207.45100	1.9
239.23724	2.9
258.43863	2.0
341.10159	1.8
342.09842	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	342.095
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02285	3.6
56.96565	15.1
57.03440	8.9
58.59278	3.1
59.05004	8.1
69.03427	21.1
69.24923	11.9
69.25348	12.7
71.01353	6.2
81.03429	6.6
85.02908	39.5
87.04496	4.4
91.28165	3.4
92.19883	3.3
97.02907	14.3
99.04465	6.9
104.10751	5.7
104.67776	3.0
106.91548	3.8
113.02387	4.3
116.85688	3.5
127.03909	26.2
145.04958	50.0
151.00684	3.8
173.04483	7.1
180.08795	4.2
181.06958	3.5
187.02686	4.1
213.00780	4.8
231.01709	6.5
257.06674	5.2
275.07681	6.7
301.02258	4.8
306.44373	4.0
312.86938	3.3
319.03583	8.2
321.06729	4.4
342.09128	100.0
342.95926	25.6
343.09988	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57896	3.6
69.14834	3.9
70.54157	9.2
70.76443	3.5
81.03431	5.0
85.02924	5.4
100.07626	3.5
100.14912	3.7
102.41175	3.4
102.77920	4.0
113.59568	4.0
117.09135	12.2
146.66699	4.0
180.06390	11.6
181.04730	5.9
182.04893	3.9
200.02995	3.6
210.13513	5.0
212.58194	3.8
304.45245	3.9
342.09396	100.0
343.09717	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	342.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
57.03436	9.1
59.04719	2.6
59.05004	33.6
61.02929	5.0
69.03430	36.8
70.14993	1.8
70.78770	3.1
71.01348	4.5
71.04982	6.1
71.57000	1.9
73.02924	5.4
81.03422	11.4
85.02905	61.0
87.04472	6.3
91.03967	2.2
97.02897	18.1
99.04456	9.9
101.02380	2.9
109.02879	8.6
112.98151	2.4
113.02370	9.7
127.03925	48.9
130.05035	5.1
131.03429	3.1
145.04964	100.0
163.05984	4.9
173.04471	6.0
180.08820	2.8
199.06203	2.7
257.06549	9.9
275.07571	15.0
343.10669	5.8
353.56992	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	342.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01874	5.4
57.03446	13.1
59.05006	19.5
61.02920	7.3
63.41280	2.7
65.38157	2.5
67.21138	2.5
69.03436	48.5
70.79599	5.3
71.01359	11.2
71.04982	6.7
73.02924	7.6
81.03423	14.2
85.02908	96.7
87.04452	8.1
91.03967	5.7
97.02896	29.9
99.04465	10.6
101.02383	4.0
109.02883	15.9
113.02378	11.1
117.09093	17.9
127.03920	63.5
129.25392	2.8
130.05019	7.4
145.04961	100.0
163.06030	10.3
173.04509	4.9
257.06549	9.2
275.05020	2.8
275.07468	14.3
280.90768	2.7
334.86633	2.7
342.11624	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	342.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18499	1.7
55.05513	2.0
57.03434	8.4
59.05009	2.0
61.02924	4.7
62.97128	1.7
69.03435	16.6
69.66182	8.7
70.06604	5.0
71.05000	2.8
73.02908	3.2
81.03421	5.6
81.07066	4.5
85.02909	21.1
86.06060	5.1
87.04459	5.2
91.03963	2.0
97.02885	11.8
98.06081	4.6
98.23489	2.5
99.04431	3.7
99.08095	13.2
104.60593	1.8
109.02912	3.9
109.06522	3.2
113.61486	2.1
117.09135	100.0
119.28841	2.0
127.03912	6.7
127.07554	2.5
135.09192	2.0
136.07552	2.9
145.04942	5.0
152.09430	4.0
153.10219	4.4
154.08635	5.8
163.08517	3.5
163.09807	10.7
164.07088	2.6
173.09224	2.0
174.01659	1.7
180.06560	3.5
181.09737	76.8
182.08086	2.3
319.51859	2.2
342.11792	3.7
343.15109	24.1
345.48660	2.0
363.13708	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	342.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39176	2.2
53.03959	2.5
55.05510	11.5
55.74033	2.4
57.07073	16.8
61.02926	3.0
69.03416	9.3
70.06589	7.0
71.04990	3.3
76.62592	2.4
80.71797	2.1
81.03426	3.9
83.08620	4.9
85.02908	25.1
89.06036	42.1
91.05483	4.5
97.02887	6.6
101.09660	19.1
105.03413	6.0
107.07070	42.8
110.05894	2.4
115.05521	2.8
121.06500	4.1
127.03922	5.3
137.05981	13.2
138.09138	34.8
145.05013	5.3
161.05833	3.3
163.13298	100.0
175.07564	7.2
176.07924	3.7
180.06531	3.7
180.10205	16.6
192.53337	2.6
228.72581	2.9
265.08466	3.0
280.06158	2.6
297.08728	11.0
343.09070	3.7
343.12695	3.7
343.17032	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.7
55.05510	7.0
57.03434	3.4
57.07077	9.6
58.06593	2.4
61.18307	1.5
67.05505	19.8
69.03420	2.6
69.07060	7.4
69.52178	3.7
69.52563	4.6
71.04992	2.0
71.08648	3.7
79.05487	9.1
81.07054	16.1
83.04997	2.4
83.08618	6.6
85.06555	2.6
85.10188	3.9
91.05469	13.4
93.07042	10.4
95.04969	8.1
95.08604	13.4
97.06532	14.7
103.65542	1.6
105.07039	17.4
107.04972	1.7
107.08583	11.3
109.06505	3.8
109.10166	21.7
109.10843	2.8
111.08086	2.9
113.06070	2.6
114.74052	1.5
117.07005	2.4
119.08623	2.3
121.06556	2.5
121.10143	2.8
123.11734	4.0
129.06996	1.8
133.06523	3.4
133.10132	16.1
134.10468	2.2
135.08081	1.8
143.08546	3.3
145.10185	2.9
147.08025	2.7
147.11707	2.3
149.09676	2.2
151.11214	9.7
159.08011	2.1
167.10696	4.3
169.12239	2.4
183.17409	2.1
240.23224	100.0
289.17935	3.0
307.18640	1.6
342.21570	1.6
342.28909	4.1
357.84869	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	10.7
55.05498	30.5
57.03429	22.4
60.04513	27.3
67.05508	29.0
69.03394	9.7
69.07061	52.6
69.07480	63.0
79.05505	33.8
81.03410	12.3
81.07064	52.6
83.04978	37.1
83.08622	15.9
85.02939	12.2
90.77664	9.4
91.05460	15.8
93.07048	37.3
95.04952	13.4
95.08617	21.5
97.06519	100.0
97.10147	9.2
98.22615	17.9
105.07034	29.6
106.05022	41.2
107.04964	12.5
107.08604	17.5
109.10172	13.4
111.04469	23.0
111.08051	11.5
119.08567	19.6
121.10143	20.5
125.09664	9.2
128.13896	9.0
131.04808	9.5
135.11729	11.2
145.04982	13.9
145.06485	8.3
145.10095	21.3
155.08516	13.6
157.05330	8.4
160.46951	8.9
163.03816	14.7
163.11185	32.0
191.10622	12.5
201.74677	9.4
209.11728	35.1
214.17984	12.9
215.07050	14.2
227.12784	54.1
244.15482	13.4
256.35220	10.1
259.09723	26.9
281.43469	10.5
289.18039	23.6
307.18985	25.1
311.12738	13.7
324.25424	9.3
343.15558	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	10.0
55.05510	62.9
57.03427	4.9
57.07065	4.6
59.04984	5.8
59.73773	2.6
62.25678	2.3
63.31390	2.3
65.03922	3.6
67.05508	25.8
69.03421	10.5
69.07058	22.4
69.59229	5.1
69.59632	12.6
71.04983	6.6
79.05495	40.5
81.07053	34.0
83.04967	8.9
83.08620	39.7
91.05461	26.4
93.07046	49.1
95.04978	21.4
95.08605	43.4
97.06527	12.7
97.10162	77.5
105.07034	46.6
107.04941	4.2
107.07858	5.4
107.08590	100.0
108.08914	3.6
109.06499	8.4
109.10155	6.9
111.08068	5.9
111.92570	2.9
117.07016	13.0
119.08607	17.1
121.06474	7.6
121.10143	8.3
123.08085	12.4
125.09624	79.8
128.06226	2.7
129.06990	3.2
130.07809	6.6
131.08545	8.4
133.06485	3.0
133.10147	17.1
135.08057	30.4
135.11670	9.1
142.07887	3.0
143.08559	6.8
143.10529	2.8
145.10118	43.1
147.08044	6.4
147.11690	9.9
149.09587	6.5
151.07530	29.3
153.09076	12.9
157.10095	5.4
157.12202	3.9
159.08070	3.0
159.11652	5.6
161.09586	4.3
163.11171	26.1
165.09068	7.5
169.10040	2.8
171.11673	4.9
173.09721	2.5
173.13168	3.4
175.11151	3.8
177.09151	2.9
183.11656	4.9
187.11134	3.4
189.12753	4.6
197.13257	3.0
203.12772	91.6
203.14265	4.5
204.13210	2.9
207.13708	3.7
209.15359	3.1
215.14302	4.6
221.15277	14.0
224.83507	2.8
239.17949	3.1
254.85918	3.2
257.18988	9.3
257.33591	2.7
263.16342	4.5
275.20001	32.6
289.21597	12.1
307.22733	5.7
325.21622	5.9
342.12411	2.8
342.21414	3.2
343.22617	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	342.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52581	12.7
55.05497	23.2
57.03442	14.8
57.07066	14.5
61.88019	13.3
67.05493	67.0
69.07046	41.4
69.57860	37.1
69.58270	43.3
72.41818	15.1
74.13094	14.0
76.77201	17.2
79.05473	45.1
81.07048	100.0
83.05017	19.7
84.92036	14.7
91.05463	55.2
93.07036	69.9
95.04956	50.7
95.08614	52.8
97.06519	36.8
97.10170	18.6
98.09686	51.4
105.07006	68.5
107.08571	53.2
109.10184	27.8
119.08564	37.2
121.10136	38.8
122.10502	22.8
131.08560	31.6
133.10161	29.7
135.11649	30.3
145.10164	33.5
147.11662	28.3
159.11656	19.5
163.11159	14.9
181.12297	23.8
215.49725	19.3
343.22775	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	19.8
55.97190	17.1
57.07071	24.6
60.93709	18.1
67.05505	83.0
69.07083	38.5
69.41701	39.2
69.42098	100.0
79.05492	44.2
81.07054	80.7
83.08624	21.4
91.05486	41.3
93.07030	54.6
95.08620	52.5
98.09676	41.8
105.07030	57.3
107.08578	50.3
109.10162	20.9
119.08595	39.4
121.10136	28.0
123.08105	20.9
130.16113	18.3
133.77873	18.5
135.11729	27.0
138.77702	19.2
145.10136	42.1
147.11674	25.5
277.53925	20.3
280.85809	22.7
296.20294	22.6
342.20822	26.6
342.37347	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	9.2
55.05495	11.9
55.77706	3.2
57.03421	3.4
57.07070	13.5
61.31630	3.2
67.05501	37.7
69.07059	9.3
69.69701	9.8
69.70098	5.0
71.08618	6.6
78.43847	3.2
79.05495	19.4
81.03429	6.6
81.07060	35.0
81.78361	3.6
83.04973	7.4
83.08620	6.4
85.06535	4.8
86.06015	3.6
89.26611	3.4
91.05474	27.0
93.07059	27.0
95.04954	6.4
95.08624	16.0
97.06491	3.5
97.10178	5.2
98.23271	3.4
105.07050	25.9
107.08610	22.5
109.10164	33.2
111.08081	4.9
116.63057	3.7
117.07016	4.9
119.08584	6.8
121.06557	3.8
121.10162	6.0
122.77277	3.3
123.08068	7.9
123.11718	9.7
125.09630	6.8
130.81650	3.3
131.08572	9.1
133.10143	46.7
133.11089	5.2
135.11758	4.7
137.09610	7.0
145.10132	8.0
151.11188	39.4
163.11237	5.7
165.09265	3.9
174.18559	5.9
179.10678	3.9
183.13831	9.8
184.14256	3.2
230.24846	4.5
253.03825	2.9
257.18848	4.7
275.20111	24.0
283.26294	6.6
293.21317	6.1
307.22748	7.3
339.56000	3.6
342.27420	4.8
342.37286	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	343.079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.5
56.96566	4.6
57.03446	2.9
61.02933	4.5
62.06549	2.6
69.03429	11.3
70.06590	8.4
70.09197	2.0
70.95744	3.6
71.04981	2.6
72.08141	2.1
73.02941	2.5
74.75359	2.3
75.99251	2.1
81.03439	8.6
83.04985	2.7
84.04506	2.4
85.02907	26.4
86.06087	3.0
87.04482	3.1
87.25603	2.1
91.05495	6.9
95.04982	2.6
97.02896	10.0
98.06081	2.9
109.02903	4.6
116.48504	2.0
119.04929	17.7
123.04404	3.9
127.03950	6.1
136.07625	2.1
145.04961	4.3
147.04413	100.0
152.09520	2.5
153.10228	3.3
155.09029	2.3
163.03928	6.9
163.08656	2.7
165.05475	53.5
177.98666	2.7
180.06541	2.8
181.02641	9.6
181.04843	6.4
181.07164	2.3
181.09715	59.6
199.02728	2.3
217.03586	3.1
235.39099	2.0
264.48840	2.1
343.07950	37.0
343.13876	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1176
Annotation	UWM6
Peak:m/z	Relative Intensity
55.01874	5.9
65.03954	4.5
67.05506	4.6
69.07079	2.4
69.61938	10.0
70.15211	1.9
71.05000	4.4
79.05492	7.0
81.03404	3.2
81.07050	6.3
91.05487	18.8
93.03444	4.0
93.07069	3.7
94.04212	4.1
95.04974	5.4
95.08633	3.7
95.92210	2.1
97.06550	2.9
103.05489	9.0
105.07057	5.3
107.04959	4.3
109.06516	3.9
111.04459	2.7
115.05466	23.8
117.07011	5.0
118.04229	2.4
119.04987	7.2
119.08642	3.3
121.06535	7.9
121.10152	3.1
122.03689	8.4
123.04466	3.8
123.08105	2.6
124.89350	2.0
125.05975	4.8
130.04155	2.9
131.04932	11.2
133.06517	3.7
134.03633	4.0
135.04410	3.0
137.05974	85.0
143.04935	11.6
144.05704	2.8
145.06479	17.1
145.10107	3.1
147.04411	7.9
149.05983	13.2
150.06787	7.6
151.03925	7.9
151.07544	3.9
152.06274	4.3
153.05640	3.5
153.06969	7.7
155.08595	3.4
158.03664	7.5
159.04439	12.6
160.05234	12.0
161.05963	5.6
161.34790	2.2
164.10736	3.8
165.07008	9.6
166.07718	4.7
167.08589	5.1
173.05992	19.9
175.03918	5.8
175.07582	17.0
176.06197	5.8
177.05449	5.4
177.07037	22.1
178.07780	5.4
179.08562	9.0
181.06471	8.1
182.07150	2.6
186.03149	15.2
187.03931	6.9
189.07033	3.6
191.08578	3.1
193.06541	5.5
194.07257	25.5
195.08101	6.7
201.05432	49.4
201.07053	3.4
204.05864	6.2
205.06496	67.4
206.07123	9.5
207.08112	9.2
209.05988	4.9
209.09586	3.0
211.07561	5.9
213.09204	5.0
217.06647	2.5
219.06406	13.9
220.08182	2.3
221.05904	15.9
222.06766	45.3
223.07480	10.9
224.08249	3.3
225.05441	3.7
225.09085	2.6
227.07106	2.9
233.05972	59.7
233.08261	3.5
234.06674	16.9
235.07426	4.6
236.08353	4.3
237.09094	38.9
237.11288	4.0
239.07120	11.2
239.10577	2.4
240.07814	3.6
241.08609	6.4
247.07486	6.7
248.08362	3.1
249.05516	19.3
249.08798	3.1
250.06235	51.3
251.07014	16.9
261.05579	10.6
263.07214	3.6
264.07877	16.9
265.05759	5.4
265.08600	98.0
266.09134	11.6
267.06519	10.6
268.07245	6.2
269.07922	3.0
275.07211	4.0
277.04971	8.5
277.08017	2.4
278.05756	24.4
279.06482	7.8
279.10236	8.5
281.08307	3.8
282.08871	6.8
283.09607	21.4
292.07321	38.4
293.04776	4.2
293.08069	82.3
294.08722	9.8
295.06055	7.9
297.11264	28.5
299.12918	6.7
301.10947	3.2
307.09631	87.7
308.09995	7.2
310.08328	14.8
311.05356	2.5
311.09015	7.0
325.10715	100.0
326.11111	5.5
343.12189	12.7
343.16830	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	343.1175
Annotation	UWM6
Peak:m/z	Relative Intensity
55.01862	6.5
55.05517	4.4
57.03450	4.2
58.56337	2.8
65.03947	4.5
67.05514	13.7
69.03432	3.5
69.07067	4.0
69.86099	2.7
70.11849	7.7
71.04981	12.4
72.18556	3.4
79.05500	11.3
80.34483	2.7
81.07066	12.1
83.08644	3.8
85.02909	3.9
85.06544	3.2
86.12380	2.7
89.03876	2.4
89.94172	2.6
91.05477	20.3
93.07052	9.5
95.04983	9.3
95.08615	10.1
97.06558	5.1
103.05492	6.1
105.07084	4.6
107.04947	5.8
107.08601	4.8
109.06502	4.0
109.10189	4.3
115.05405	15.1
116.01680	2.5
117.07009	5.2
119.04961	11.2
119.08607	6.5
121.06516	8.2
121.10178	4.1
122.03658	9.9
123.04440	3.1
125.52206	2.6
128.06296	3.9
131.04942	7.0
131.08568	4.7
133.10161	3.5
135.04431	5.2
135.08063	3.6
135.11674	4.9
137.05981	65.0
142.03142	3.7
143.04944	10.0
143.08481	3.2
145.06506	8.5
145.10120	4.2
147.04419	6.0
147.08043	2.7
149.06012	11.2
150.06760	6.6
151.03935	4.6
151.07513	3.3
158.03658	6.0
159.04417	10.3
160.05240	7.7
165.07011	9.1
165.37337	2.8
166.07715	3.4
171.11661	2.7
173.06039	11.3
175.03917	5.3
175.07536	18.5
176.06242	7.6
177.05637	3.6
177.07018	19.0
178.07739	6.9
179.08615	5.2
181.06499	7.9
183.08121	3.5
186.03134	10.3
187.03931	6.8
189.07068	3.1
193.06548	3.8
194.07259	23.8
195.07979	4.3
201.05434	41.7
203.06972	4.5
205.06496	42.4
206.07152	9.0
207.08136	4.8
208.11263	2.9
209.06181	3.6
211.07652	5.5
215.17966	4.4
219.04527	3.4
219.06326	4.1
219.08167	5.0
221.05931	20.9
222.06747	38.8
223.07442	7.9
227.07106	4.2
233.05992	44.4
234.06775	11.5
235.07607	4.5
237.09105	45.7
238.09476	3.1
239.07080	9.9
247.07669	6.4
249.05464	16.8
250.06235	43.9
251.06921	13.9
251.20055	7.8
254.09464	3.9
261.05472	7.6
263.07016	3.5
264.07901	11.7
265.05753	5.8
265.08588	90.8
266.09250	11.4
267.06552	10.1
268.07330	3.9
273.11127	4.6
277.04974	7.5
278.05634	15.7
279.06415	3.0
279.10294	3.3
282.08917	7.4
283.09882	6.6
292.07275	32.3
293.08078	78.8
294.08591	6.5
295.05927	8.3
297.11218	25.3
298.11801	5.0
299.12820	5.2
307.09644	98.3
308.10019	7.3
310.08386	12.2
311.09058	3.6
325.10675	100.0
326.10956	7.2
338.32474	3.2
343.12656	4.2
343.17258	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	343.1176
Annotation	Vitexdoin A
Peak:m/z	Relative Intensity
53.03944	4.8
55.01871	5.9
57.03444	4.7
61.02941	2.9
65.03930	4.3
67.05509	5.6
69.03426	12.1
71.05025	2.4
71.29958	3.0
72.71727	2.6
79.05488	10.5
81.03408	7.6
81.07055	7.2
83.04958	5.0
84.08170	2.5
84.40161	1.9
85.02905	27.3
87.04501	2.5
91.05476	30.8
93.07027	14.0
93.95776	2.9
94.04174	5.6
95.04956	20.4
95.08622	3.5
97.02895	8.6
97.07706	2.1
99.04415	2.8
103.05476	14.3
105.07042	7.0
106.21375	2.1
107.04961	36.5
107.08592	11.5
109.02875	5.4
109.06546	4.0
115.05440	21.5
117.07027	9.0
119.04956	8.5
119.08482	3.0
121.02855	2.9
121.06516	16.5
121.10148	6.0
122.03655	9.2
123.04420	5.8
123.08051	3.3
125.06001	6.9
127.03926	5.3
130.04156	2.6
130.07790	2.5
130.42882	2.4
131.04939	12.1
132.05727	3.3
133.02838	14.4
133.06493	5.7
135.04410	8.8
135.07985	4.4
135.83266	2.4
137.05972	95.9
143.04929	9.1
145.04929	5.3
145.06465	25.3
145.10109	6.0
146.03661	3.0
147.04419	11.1
147.08020	4.2
149.05997	23.1
150.06746	13.2
151.03931	9.6
151.11285	2.3
153.05515	3.2
153.06961	4.0
158.03630	6.0
159.04431	12.0
160.05212	10.4
161.05962	8.1
163.03949	2.8
163.07570	3.5
163.11163	35.5
164.01666	2.8
165.05632	3.9
165.07039	5.7
166.07806	3.8
167.08607	5.8
169.06531	2.7
173.05971	27.3
175.03935	6.8
175.07535	23.2
176.06247	5.9
177.05476	11.1
177.07016	16.0
178.07800	8.1
179.08521	9.2
181.06558	6.6
181.08565	3.3
181.12257	8.8
186.03107	13.6
187.03874	4.8
191.07016	4.7
193.04955	5.8
193.06535	5.6
194.07263	16.5
195.08064	11.7
197.05908	2.8
199.09663	2.6
201.05437	47.9
202.05832	4.6
204.05768	5.6
205.06471	53.9
205.12202	2.5
206.07117	5.0
207.06400	3.6
207.08112	12.4
209.21257	2.5
211.07542	7.3
217.06456	5.2
218.05582	2.8
219.06410	25.7
219.07817	3.9
221.05966	14.2
222.06723	37.8
223.07512	10.4
223.13429	2.7
227.06978	5.1
233.06027	44.0
234.06619	13.3
235.07463	7.0
236.08365	3.1
237.09082	37.0
237.11279	3.5
238.09567	2.4
239.07011	7.8
240.07828	5.1
241.08797	3.3
247.07547	7.9
248.08202	2.5
249.05453	12.2
249.09058	3.1
250.06224	34.3
251.06993	17.3
253.04886	2.7
261.05466	6.0
262.06107	3.1
263.07095	5.6
264.07925	11.6
265.08572	70.0
266.09167	11.0
267.06656	12.8
267.09402	3.0
268.07227	5.5
277.04953	5.6
278.05746	17.1
279.06567	8.4
279.10199	9.6
282.08847	7.6
283.09677	34.9
292.07236	25.0
293.08087	67.7
294.08597	7.6
295.06085	3.4
295.09586	3.4
297.11203	23.6
301.10486	4.8
307.09659	76.1
308.10031	6.4
310.08356	12.7
311.09238	13.0
325.10681	100.0
326.10870	5.4
343.13406	52.5
343.17426	11.0
343.23047	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	1.2
55.01827	1.0
55.05476	1.1
56.28228	0.4
57.03392	2.1
59.04983	0.7
61.02932	3.4
69.03434	11.3
70.06599	6.3
70.91307	0.8
71.01337	0.4
71.04954	1.4
72.08123	0.8
73.02923	1.9
81.03416	4.4
83.01292	0.4
84.04465	1.1
85.02908	18.0
86.03214	0.6
87.04464	3.1
89.88385	0.3
91.03916	1.4
91.15717	0.4
97.02895	8.1
97.07609	0.5
98.03226	0.4
98.05512	0.3
98.06052	4.5
99.04473	1.6
101.02341	0.4
103.07560	0.6
108.08131	0.7
109.02896	2.9
115.03931	0.4
117.09073	1.3
118.06502	0.9
118.09417	1.1
119.04904	0.4
127.03934	3.7
135.05530	0.4
135.09177	1.8
136.07552	2.5
145.04959	2.6
147.04427	1.6
152.09448	3.4
153.10236	4.9
163.03830	0.3
163.08667	7.0
165.05469	0.7
165.10124	0.8
165.11345	0.7
181.09720	100.0
182.10077	3.1
251.43962	0.4
298.07147	0.3
343.08096	1.7
343.15021	26.5
344.15363	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03943	5.2
55.01859	6.4
55.05512	17.1
57.03424	8.9
57.07071	8.2
59.04994	8.4
59.58945	2.1
62.36499	1.9
65.03925	4.2
67.05508	31.3
69.03432	14.7
69.07057	8.0
69.51686	5.2
69.52076	3.9
71.04720	1.6
71.04994	19.0
72.78225	2.2
77.46716	1.9
77.97578	2.3
79.05495	28.2
81.03391	4.1
81.07053	37.5
83.04968	5.5
85.06535	6.8
91.05476	41.5
93.07047	87.0
95.04367	3.7
95.04969	69.7
95.08606	100.0
97.06519	18.3
99.24879	1.9
103.05443	4.2
105.07032	94.0
106.07360	2.5
107.04942	7.3
107.08592	60.8
109.06532	19.4
109.10139	4.9
115.05447	9.9
116.06213	2.2
117.07018	33.6
119.08579	34.1
121.06499	21.5
121.10142	18.3
123.08057	31.8
125.06042	5.5
128.06226	7.5
129.06963	5.4
130.07799	19.4
131.08560	9.5
133.06473	8.7
133.10110	20.3
135.08061	28.2
135.11693	15.3
137.09575	6.4
142.07768	3.8
143.08586	12.1
144.09344	3.4
144.37656	2.6
145.06453	4.4
145.10123	93.1
145.11270	5.4
146.10542	2.8
147.08043	18.2
147.11725	3.7
149.09598	7.5
151.07538	53.6
153.09094	2.6
155.08539	4.3
156.09328	4.3
157.10150	10.9
159.08055	3.6
159.11699	6.8
161.09612	12.1
161.13271	5.9
163.09808	3.5
163.11183	64.4
164.11476	3.9
165.09149	17.8
169.10124	2.6
171.11719	5.3
173.09677	6.7
173.13248	3.4
175.11201	5.4
177.09164	6.6
179.07048	3.9
183.11723	6.0
185.09550	2.4
187.11218	4.0
189.12729	14.3
191.10684	2.8
191.14429	2.9
195.11871	2.7
197.13193	4.4
201.12743	2.8
203.14319	12.1
207.13777	7.6
209.13353	2.9
209.15341	2.7
211.11073	2.3
215.14307	3.8
221.13251	3.9
221.15356	30.5
233.15472	3.5
263.16446	8.2
269.15311	4.2
274.19144	2.7
286.19293	4.4
287.19894	2.6
325.21655	9.4
343.22665	73.3
344.23016	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	343.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.8
55.01869	5.5
55.05518	25.3
57.03439	8.3
57.07080	10.1
59.05007	7.5
67.05513	31.1
67.53895	2.8
69.03441	16.4
69.07075	11.6
69.69850	13.1
71.04999	24.4
71.11215	2.8
77.03944	4.2
79.05497	33.8
79.63159	2.4
81.03423	4.0
81.07061	38.6
83.04976	5.4
83.08649	3.9
85.06548	4.0
91.04971	4.2
91.05489	43.7
91.78667	2.7
93.07047	81.5
94.07399	3.4
95.04980	67.3
95.08611	89.3
96.26708	2.7
97.06534	21.7
97.81030	2.8
98.23364	3.0
103.05471	4.3
103.57511	2.9
105.04493	4.0
105.07036	100.0
107.04926	5.8
107.08598	56.3
108.29797	2.6
109.06541	16.3
109.10162	6.3
115.05446	7.3
117.07023	38.3
119.08584	27.6
121.06490	20.2
121.10161	16.8
123.08076	30.2
128.06204	3.2
129.07004	7.6
130.07784	21.3
131.08568	10.1
133.06506	6.4
133.10132	18.8
135.08060	26.3
135.11688	15.6
137.09645	4.8
143.08589	11.8
144.09296	2.9
145.06482	4.3
145.10130	88.3
146.10489	3.6
147.08037	17.3
147.11708	3.1
149.09625	6.8
151.07541	49.7
153.06976	2.6
155.08589	5.2
156.09286	4.7
157.10156	6.5
159.11720	11.5
161.09624	8.3
161.13290	4.3
163.07649	3.3
163.11195	75.0
165.09117	19.4
167.08607	4.4
169.10182	3.2
171.11703	6.9
173.09657	5.0
175.11208	4.7
177.09132	10.7
179.07062	5.1
181.10213	4.4
181.12265	3.6
187.11258	4.5
189.12769	12.9
191.14314	2.9
197.13391	3.2
203.14293	9.6
207.13840	5.7
215.14380	4.2
221.15361	27.3
225.12682	2.6
233.15477	4.0
235.71014	2.6
241.15956	3.2
243.13907	3.1
263.16443	9.4
269.15338	5.3
286.19327	6.0
287.16504	3.7
287.19946	2.9
325.21634	10.4
343.22665	66.6
343.28726	3.3
344.22980	7.6
355.58755	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	343.2267
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
55.01860	10.8
55.05512	23.4
57.03426	12.5
57.07069	10.6
57.45616	3.2
59.04979	5.0
67.05508	36.4
69.03416	10.9
69.07057	15.1
69.52262	5.6
69.52664	18.0
71.04993	22.0
79.05489	25.9
81.03402	6.2
81.07056	40.0
83.04998	8.6
83.08618	5.1
85.06554	6.8
91.05477	43.1
93.07048	81.7
95.04966	68.8
95.08606	87.7
97.06541	42.2
102.08035	3.5
103.05477	4.3
105.07030	93.4
107.04980	4.9
107.08588	57.6
109.06505	21.4
109.10174	6.5
113.23624	3.8
115.05457	6.1
116.06192	3.7
117.07035	30.7
119.08582	35.7
121.06526	18.3
121.10156	25.3
123.04415	10.3
123.08107	29.9
123.11729	6.3
128.06207	5.8
129.07040	8.4
130.07779	13.1
131.08525	13.0
133.06487	10.0
133.10118	22.6
135.08041	33.1
135.11731	21.0
137.05930	4.4
137.09622	5.3
143.08554	15.8
145.10123	100.0
146.10501	5.3
147.08014	19.2
147.11696	9.2
149.09642	9.8
151.07539	53.0
155.08527	4.7
157.10129	14.3
159.08055	4.9
159.11690	9.0
161.09584	15.6
161.13257	5.2
163.09976	6.1
163.11197	66.0
165.09135	23.4
169.10126	6.5
171.11696	5.3
173.09642	10.5
177.09169	8.7
181.12244	8.6
183.11678	6.0
185.09613	5.7
185.13271	5.0
187.11159	3.9
189.12744	13.4
191.14265	5.6
197.13313	5.6
199.14851	4.6
201.12727	4.8
203.14301	19.9
207.13855	8.8
209.13287	5.1
209.15315	7.9
213.16559	3.9
215.14354	6.8
219.10106	4.1
221.15379	34.6
223.14763	4.5
233.15408	5.0
240.23264	13.8
245.15538	4.5
263.16275	8.0
286.19223	6.3
287.20102	5.3
325.21594	11.7
343.19022	3.8
343.22656	79.6
344.23105	5.8
344.31589	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03938	4.8
55.01873	7.9
55.05513	21.3
57.03252	1.0
57.03445	11.7
57.07077	11.8
58.96842	1.2
59.05006	6.8
60.62307	1.2
65.03948	3.1
67.05506	31.1
69.03431	12.6
69.07074	8.5
70.47091	1.3
71.04996	22.9
77.03940	1.7
79.05492	32.9
81.03432	4.4
81.07054	32.9
83.04993	7.3
85.06532	5.1
87.75564	1.2
88.54963	1.6
91.05478	43.2
93.07043	82.9
94.07376	1.5
95.04968	67.8
95.08606	99.5
96.05301	1.5
96.08955	1.8
97.06531	18.8
98.23426	2.5
103.05515	2.4
105.04553	2.1
105.07030	98.5
106.07318	2.4
107.04947	4.7
107.08592	58.9
108.05717	1.7
109.06523	20.1
109.10137	6.8
115.05462	10.1
116.06233	2.1
117.07019	34.5
119.08585	31.0
121.06512	16.7
121.10139	17.6
122.07259	3.6
123.08063	35.1
125.06002	3.3
128.06216	4.8
129.06992	6.8
130.07797	22.9
131.08591	13.5
133.06477	8.8
133.10130	18.5
134.07248	1.9
135.08052	29.1
135.11682	17.4
137.06004	4.2
137.09650	7.6
142.07759	4.2
143.08556	13.3
145.06485	2.3
145.10121	100.0
146.10497	4.2
147.08040	15.5
147.11685	4.7
149.09618	6.2
151.07541	58.4
151.08783	2.8
152.07962	1.9
153.09135	4.1
155.08592	4.1
156.09370	4.2
157.10152	9.6
158.07297	1.6
159.08057	4.9
159.11676	9.8
161.09636	8.7
161.13255	4.5
163.07512	3.3
163.11183	70.9
164.11497	2.1
165.09122	20.8
167.08540	3.0
169.10129	4.8
171.08122	1.6
171.11682	8.0
173.09671	6.8
173.13260	4.7
175.11215	5.7
175.14876	1.7
177.09113	7.4
179.07071	5.4
179.08594	2.0
179.10571	2.4
181.10123	3.4
181.12187	4.1
182.10957	1.5
182.12488	1.6
183.11705	4.5
185.09679	2.1
185.13263	3.6
187.11201	7.0
188.11955	1.7
189.09140	2.1
189.12720	13.3
191.10699	2.7
191.14322	4.1
193.10168	1.7
194.10934	1.8
195.11674	2.8
197.13304	4.3
199.11197	3.6
199.14864	1.7
201.12740	3.0
203.14296	9.5
207.10097	2.2
207.11966	1.9
207.13710	6.7
209.13281	3.2
209.15372	5.7
213.12669	2.3
215.14342	2.9
217.12219	3.6
221.15358	26.1
223.14931	1.7
225.12723	1.8
225.16385	2.2
231.13744	1.8
233.15424	4.6
240.23289	2.0
241.15901	2.1
243.13808	2.8
257.15359	2.0
263.16235	6.7
269.15378	5.2
271.17047	1.6
274.19214	2.1
286.19266	6.0
287.16464	3.2
287.19879	2.7
317.57065	1.5
325.21664	12.0
343.22681	89.6
344.23090	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	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03945	4.5
54.57203	1.9
55.01874	10.5
55.05521	19.2
57.03427	8.9
57.07081	10.6
59.04992	7.3
65.03935	4.7
67.05505	33.3
69.03432	10.7
69.07066	5.7
69.67625	6.9
69.68040	4.3
71.04995	24.4
79.05495	25.3
81.03419	6.2
81.07056	32.3
83.04972	7.1
83.08629	2.8
85.06535	4.6
91.04958	4.2
91.05482	38.9
93.07047	84.1
95.04968	60.4
95.08611	94.8
97.06536	15.3
103.05495	3.0
105.07033	93.6
106.07359	2.8
107.04977	3.5
107.08590	59.0
109.06506	18.1
109.10162	5.8
109.55294	2.0
115.05453	9.8
117.07014	34.2
119.08569	25.9
121.06480	15.6
121.10135	22.9
123.08071	31.3
125.05968	2.6
128.06216	5.4
129.06987	8.9
130.07776	18.4
131.08583	10.2
133.06473	5.7
133.10141	18.1
135.08072	26.7
135.11717	15.0
137.05940	3.1
137.09618	7.0
142.07793	4.3
143.08527	15.3
145.10121	100.0
146.10408	3.5
147.08095	14.0
147.11629	3.2
149.09642	5.6
151.07547	54.7
155.84084	2.8
156.09340	4.0
157.10165	9.0
159.08070	4.4
159.11749	8.3
161.09596	10.7
161.13286	5.1
163.07561	2.6
163.11191	68.2
164.11473	3.5
165.09088	21.6
167.08592	2.5
169.10176	3.9
171.11668	6.2
173.09656	5.0
173.13239	4.4
174.10449	2.8
175.11156	7.3
177.09082	7.9
179.07080	6.0
179.08543	2.5
181.10147	2.8
181.12233	4.0
183.11624	3.3
185.13240	5.5
187.11194	7.4
189.12726	12.9
191.14348	4.4
197.13272	4.4
199.11166	3.2
199.14716	3.0
203.14372	7.9
207.10172	4.1
207.11957	2.8
207.13841	7.0
209.13396	4.2
209.15344	5.9
213.12672	2.9
215.14304	4.4
217.12340	3.1
221.15361	33.2
223.14862	2.7
225.16342	3.1
233.15379	5.0
241.15855	2.6
243.13721	3.4
257.15521	2.3
263.16486	7.5
269.15259	3.3
274.19299	3.2
286.19247	4.3
287.19955	3.1
325.21588	10.0
343.22687	80.1
344.23114	7.7
360.17456	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2267
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
55.01869	0.7
55.05515	3.3
57.03445	0.8
57.07060	1.2
65.03928	0.7
67.05506	20.0
69.07072	9.6
71.04986	5.5
71.08659	0.7
79.05505	4.0
81.07055	8.2
82.07393	0.9
83.04961	0.6
83.08617	1.8
85.06556	3.7
91.05484	3.4
93.07034	7.0
95.04969	15.7
95.08617	3.8
97.06530	2.1
97.10149	1.3
98.10529	0.6
100.30856	0.5
105.07035	5.7
107.04971	0.6
107.08582	5.8
108.08910	1.0
109.06489	1.4
109.10157	100.0
110.10491	3.5
111.08089	0.7
115.05490	1.4
117.07008	5.8
119.08574	3.0
121.06511	1.8
121.10117	2.8
123.08112	0.8
123.11741	0.8
125.09602	1.0
127.11191	13.1
128.06200	0.7
129.07005	0.9
130.07744	0.9
131.08585	1.6
132.08939	0.6
133.10129	1.4
135.08044	5.3
135.11707	1.2
137.05940	1.0
137.09601	1.2
142.07863	0.8
143.08565	2.1
145.10132	9.1
147.08069	0.8
147.11688	1.3
148.12045	0.7
149.09581	0.7
152.04379	0.6
155.08577	1.0
156.09355	0.7
157.10149	1.4
159.11729	1.9
161.09534	0.8
161.13242	0.7
163.11185	2.3
169.10141	6.2
171.11674	1.8
173.09619	5.6
173.11839	0.8
185.09688	0.7
187.11214	1.2
189.12808	0.7
199.11189	1.2
221.15381	5.4
227.14400	0.7
240.23320	1.7
245.78845	0.5
267.17322	0.7
273.18427	3.0
276.20410	1.4
325.21677	1.9
343.18683	0.7
343.22614	8.8
344.22894	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67432	8.3
55.05502	46.7
57.07085	17.9
59.18713	7.7
59.84536	7.9
63.20712	7.6
65.03935	8.8
67.05510	52.6
69.03434	17.6
69.07075	36.9
71.04984	13.1
71.08615	8.3
71.29652	11.6
79.05492	36.3
81.03406	7.7
81.07065	55.4
83.04988	7.7
83.08627	23.7
85.06550	12.1
91.05488	63.2
93.07048	84.8
94.07829	11.7
94.53503	7.5
95.04971	100.0
95.08604	99.1
97.74340	7.9
98.09338	7.1
105.07030	95.7
107.08595	55.6
109.06524	44.5
109.10178	32.4
115.05488	7.7
115.69757	7.2
117.07008	17.3
119.08620	38.3
121.06533	19.9
121.10157	23.3
121.19299	7.2
123.08078	21.6
129.06996	8.7
130.07750	14.8
131.08560	12.3
133.06520	12.2
133.10129	23.6
135.08034	18.0
135.11699	21.6
137.09636	13.8
142.07794	8.8
143.08528	10.7
145.10132	42.9
147.11729	13.2
157.10149	17.4
159.11765	10.2
161.09598	8.2
163.11198	23.6
165.12761	10.0
173.92323	8.1
184.51947	7.9
185.63208	7.9
191.64351	8.1
198.98973	7.6
240.23163	20.1
342.37289	32.0
343.22778	23.2
343.37558	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01871	5.0
55.05510	81.7
57.03437	34.5
57.07076	51.0
58.07405	1.1
59.05006	4.4
65.03965	2.1
67.05503	41.5
68.05829	1.2
69.03419	6.3
69.07066	100.0
69.17005	5.8
69.17434	3.5
69.28600	1.1
70.07411	2.4
71.04996	11.1
71.08236	1.9
71.08627	27.9
71.79921	1.1
73.06558	3.5
79.05492	24.3
81.03419	2.0
81.07054	55.2
83.04989	9.4
83.08617	68.1
84.08983	1.3
85.06536	5.7
85.10183	13.2
91.05472	20.0
93.07043	56.6
94.07363	1.8
95.04965	24.9
95.08604	75.0
96.08944	2.4
97.06529	25.6
97.09542	2.2
97.10163	38.8
98.10496	1.7
98.22604	2.5
99.08102	3.5
99.11757	1.5
101.06026	3.3
103.05476	2.5
105.07026	36.0
106.07413	1.9
107.04944	2.2
107.08591	44.7
108.08949	1.4
109.06511	7.6
109.10141	19.6
111.08084	11.4
111.11713	13.7
113.09671	2.6
115.05447	3.3
115.07555	3.8
117.07024	13.1
118.10406	1.2
119.08571	12.9
121.06510	7.4
121.10143	31.0
122.10446	1.6
123.08070	14.4
123.11717	8.0
125.06008	1.3
125.09616	13.1
125.13268	2.5
128.06223	2.5
129.06976	3.1
129.09126	4.8
130.07800	6.8
131.08563	4.2
133.06528	2.5
133.10120	5.7
135.08055	13.4
135.11693	28.1
137.09590	3.1
137.13264	3.3
139.11165	13.5
142.07845	2.0
143.08553	6.0
143.10635	2.2
145.06456	1.9
145.10120	34.9
147.08029	6.3
147.11740	1.3
149.09616	3.5
149.13242	14.0
151.07532	23.0
151.14807	2.3
153.06987	1.2
153.09122	1.6
153.12761	9.2
155.08603	1.7
157.10136	4.8
157.12251	2.2
159.08105	1.6
159.11726	4.2
161.09645	3.0
161.13298	2.7
163.11182	29.3
163.14822	8.6
165.09074	7.5
167.14340	4.9
169.10144	2.1
171.11714	2.0
171.13829	1.5
173.09669	3.7
173.13275	1.4
175.11118	1.7
177.09105	3.6
177.16417	4.4
179.07065	1.9
181.15894	4.5
183.11691	1.7
187.11151	1.9
189.12750	5.4
191.10634	1.9
191.14172	1.7
191.17842	3.2
195.11703	2.0
195.17491	3.7
203.14331	4.2
207.13785	2.6
209.13403	1.7
209.15471	1.7
209.19034	1.5
215.14229	2.3
216.14778	1.4
217.12222	1.9
221.15286	10.3
227.14429	1.8
233.15289	1.7
233.22585	13.6
233.24741	1.3
240.23209	4.1
251.23700	20.0
252.24008	1.8
263.16406	2.8
269.15576	1.3
269.24860	1.7
287.16400	1.4
325.21631	4.1
325.27301	14.1
341.42438	1.2
343.18988	2.3
343.22705	28.2
343.28436	98.3
344.22971	2.2
344.25021	1.2
344.28574	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	343.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
55.01874	3.2
55.05513	83.2
56.93815	1.5
57.03438	32.4
57.07077	47.5
59.05013	1.8
65.03930	2.2
67.05507	36.7
69.07071	100.0
71.04980	6.7
71.08633	24.9
73.06548	3.2
75.04465	2.4
79.05486	16.9
81.07059	43.6
83.04999	3.5
83.08621	65.7
84.08971	2.1
85.06528	3.8
85.10182	14.8
91.05457	4.9
93.07050	29.4
95.04991	9.5
95.08606	42.4
97.06542	19.3
97.10175	41.3
98.10490	2.1
98.22558	3.0
99.08083	2.4
101.06010	3.0
105.07039	5.6
107.08597	21.7
109.10157	70.4
110.10528	2.9
111.08101	11.7
111.11720	12.2
113.09601	1.6
115.07553	4.4
117.07024	2.8
117.67908	1.5
119.08592	2.3
121.10139	21.7
123.11700	5.0
125.09626	11.3
125.13274	2.3
127.11185	6.4
129.09135	2.8
135.08070	1.5
135.11703	21.3
137.09679	1.6
137.13272	3.6
139.11157	10.6
143.10686	2.3
145.10133	3.8
146.96875	1.5
149.13260	13.2
151.14864	3.0
153.12740	7.7
157.12305	2.2
157.81091	1.6
159.11584	1.7
163.14832	9.6
167.14340	5.1
169.10071	2.5
177.16417	5.0
181.15881	3.7
187.11226	1.8
195.17397	2.5
221.15353	1.9
233.22650	12.5
251.23656	17.7
252.23701	1.6
269.24789	2.2
309.33731	1.5
325.21573	2.2
325.27386	14.1
343.22687	3.2
343.28421	91.3
344.28598	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	344.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68820	0.6
55.01872	1.1
57.03419	1.2
59.68981	0.7
61.02914	1.5
63.19554	0.5
65.03931	1.1
68.20325	0.6
69.03427	3.6
69.15260	4.8
81.03413	1.5
85.02901	15.6
85.07912	0.6
87.04462	0.7
88.86700	0.5
91.05480	5.6
93.13685	0.5
97.02903	3.3
99.04491	0.8
99.93874	0.6
107.28345	0.5
109.02837	1.0
113.80296	0.7
119.04938	18.2
120.05272	1.0
120.95546	0.6
121.52737	0.6
123.04416	2.5
123.71571	0.6
127.03908	2.1
145.04945	3.5
147.04404	100.0
148.04718	4.0
165.05472	49.3
166.05858	1.5
180.08635	1.0
182.07932	0.5
295.47858	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03414	1.3
59.19519	0.5
61.02915	1.6
65.03924	0.6
69.03429	3.6
70.89473	0.6
70.89803	0.8
73.02902	1.1
81.03402	2.0
85.02900	15.0
91.05473	5.6
95.04962	0.6
97.02894	4.2
99.04469	0.6
109.02867	1.0
119.04940	19.9
120.05284	0.6
120.08041	0.6
123.04443	1.7
127.03896	2.0
145.04974	3.1
147.04402	100.0
148.04720	3.6
165.05476	46.9
166.05811	1.9
180.08627	1.0
274.13318	0.5
278.11920	0.5
338.48117	0.5
344.13477	0.6
351.44165	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50671	3.7
55.01868	6.8
55.05510	8.9
57.03419	9.1
67.05504	16.0
69.07072	21.2
71.05014	7.7
71.29975	4.8
76.76611	3.7
79.05491	22.7
81.03426	8.5
81.07059	15.9
83.04946	4.2
87.31678	3.8
91.05471	12.0
93.07027	12.1
95.04976	15.4
95.08578	8.8
97.06532	100.0
98.06897	5.0
105.07038	13.3
107.04952	6.3
107.08616	10.7
109.06474	4.7
109.10188	4.2
115.07588	11.7
116.10764	6.6
117.07016	4.6
119.08586	10.6
121.10207	4.9
131.08572	7.8
135.11723	4.8
159.08090	4.4
163.03850	5.7
177.12706	4.1
189.09128	10.8
195.81299	4.1
199.07474	6.6
208.07297	4.0
234.80002	3.8
260.09946	4.6
283.53867	4.4
285.14819	9.8
327.16077	5.9
345.16904	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	344.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	33.0
57.03433	17.4
67.05510	53.4
69.03426	9.0
69.07072	57.9
69.24496	64.4
70.24879	8.0
71.04984	25.6
79.05492	37.8
81.03416	19.8
81.07076	61.6
83.04969	15.2
83.08623	13.1
84.56296	7.4
91.05474	42.5
93.07031	25.0
95.04963	29.7
95.08599	32.4
97.06534	100.0
105.07040	21.0
107.04945	27.0
107.08589	32.5
109.06519	19.6
109.10156	21.2
115.05427	13.1
115.07584	20.2
117.07034	25.6
119.08558	17.3
121.10155	15.7
123.04337	9.2
123.08039	10.9
125.09583	9.9
129.07027	11.1
131.08533	20.5
132.18544	9.0
133.10199	7.7
135.08144	11.6
143.08600	8.9
145.06506	31.2
145.10106	16.6
147.08116	13.3
147.98891	11.1
157.10062	16.2
161.09554	15.0
175.11214	9.6
185.13490	8.8
189.09120	18.0
195.13860	9.0
210.20334	10.2
234.29466	9.7
237.37741	8.8
264.59378	9.4
271.16882	29.2
288.16605	12.5
344.15683	18.6
344.22980	8.9
345.13116	10.8
345.17023	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	344.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71001	2.9
55.05509	8.1
56.05026	12.5
57.07081	16.4
57.07309	3.0
58.06610	3.0
62.95808	2.5
67.05501	12.6
69.03445	3.2
69.07082	6.9
69.34361	6.6
69.34760	15.0
70.06599	10.7
71.08635	10.1
74.06089	28.3
74.15797	2.8
79.05495	10.2
81.07072	16.0
83.04945	3.3
83.08616	5.2
85.97632	2.5
88.07092	5.1
88.07634	86.8
91.05473	15.3
93.07053	12.1
95.08640	11.9
99.04451	3.3
100.11256	10.7
102.05524	4.1
105.07043	10.3
106.08693	9.2
107.04967	6.8
107.08620	13.1
109.10169	7.2
119.08617	6.7
121.10173	6.3
123.08138	3.3
123.11692	3.1
129.07053	3.2
131.08553	3.9
133.10149	4.5
134.08150	4.0
135.11690	3.5
139.11208	5.7
149.13246	4.7
165.09088	3.3
217.19409	3.2
268.16876	2.8
268.34039	3.2
277.21625	3.2
283.26349	5.1
298.30917	18.2
325.24860	3.2
343.37668	4.9
344.22830	3.9
344.31644	100.0
344.38239	38.3
345.20566	5.3
345.32043	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	345.0582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96138	2.7
56.96561	8.2
58.51088	2.6
69.03432	5.5
70.06599	2.9
70.30022	8.9
70.76524	2.8
81.03410	9.1
83.04955	3.2
85.02908	5.8
91.05501	3.4
97.02860	5.4
98.97580	16.3
110.97549	4.1
121.07639	2.8
127.04006	2.8
128.98566	4.1
165.10258	3.2
167.08208	5.0
181.72565	2.8
183.06232	6.8
183.07692	3.6
219.01782	5.0
221.05038	6.5
237.02792	5.3
299.07346	28.0
345.05817	35.7
345.11420	100.0
345.15271	41.7
346.06213	3.9
346.11566	3.5
346.15439	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54890	0.7
55.01853	0.8
55.05508	0.8
56.96571	7.5
57.03428	0.9
65.65105	1.0
67.05490	1.8
69.03424	2.6
70.06573	2.1
70.89829	1.2
72.08136	1.5
79.05469	1.1
80.05022	1.1
81.03409	0.9
81.07048	1.5
84.04480	0.8
84.08134	1.1
84.96037	1.3
84.98374	0.8
85.02911	6.3
91.05466	3.1
93.07032	1.5
95.04949	0.9
95.08606	1.2
97.02872	2.6
97.06522	0.9
98.97581	13.6
99.04425	1.0
105.07063	0.9
107.04947	2.1
109.02881	0.8
110.97575	2.6
116.98645	5.6
119.04916	1.1
119.08579	0.9
120.05262	1.6
121.06543	0.8
123.04428	1.9
123.08079	0.7
127.03892	2.1
128.55679	0.7
128.98581	3.8
129.93468	0.7
134.99625	1.6
137.05966	4.8
138.05551	0.8
143.00188	1.0
145.04965	1.9
146.99646	1.8
147.04395	7.1
147.08014	1.3
148.04742	6.8
149.06004	0.9
158.99649	1.5
163.07582	1.0
165.05501	3.2
165.09065	1.2
166.05820	3.2
170.99652	1.0
175.06355	0.9
177.00687	2.8
183.03230	2.5
183.06303	7.5
183.10013	1.0
185.04259	1.6
188.58511	0.9
189.04324	0.9
195.08038	1.4
201.04364	8.4
207.09740	0.7
219.01770	2.7
219.05400	3.1
219.08034	0.7
225.04294	1.3
237.02725	5.9
243.05386	8.5
273.09387	1.0
283.09634	2.4
285.06476	2.7
300.12210	1.0
303.07401	4.6
319.10626	2.1
327.09637	2.6
329.10324	1.2
345.08438	14.3
345.15152	100.0
346.15475	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.6
55.05503	0.6
55.32810	0.5
56.96561	0.9
57.03430	1.0
57.47318	0.5
61.02930	0.6
67.05505	0.5
69.03423	2.4
69.14890	3.2
70.03777	0.7
70.06586	0.9
71.04990	1.1
72.08177	0.9
75.10693	0.4
75.15210	0.5
80.80044	0.5
81.03412	1.2
81.90705	0.5
83.04967	0.8
84.04479	0.6
84.08141	0.7
84.29203	0.4
85.02905	5.3
89.90400	0.6
91.05499	0.7
94.06548	0.5
95.04965	0.5
97.02898	1.1
98.97583	1.5
99.04475	0.8
104.50645	0.5
107.04971	0.6
119.04921	1.9
120.05286	1.6
123.04414	0.8
137.05983	2.1
138.09186	0.6
141.29312	0.5
147.04401	6.1
148.04745	6.4
165.05527	2.9
165.08926	0.6
165.10196	1.1
166.05852	3.3
180.20645	0.5
183.06442	0.6
183.09903	0.8
183.11273	3.3
184.03746	0.7
201.04306	0.8
203.05215	0.8
256.71002	0.5
257.09088	0.7
268.05957	1.0
287.11026	14.9
299.10480	1.0
309.08572	1.3
318.60468	0.5
327.09714	1.4
327.13940	0.9
345.15179	100.0
346.08923	1.4
346.15442	7.2
346.19171	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2634
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
51.27362	2.0
53.03951	2.2
55.05514	24.8
57.03443	66.3
57.07077	19.3
61.03283	2.5
67.05508	66.3
69.07073	49.7
71.08624	5.2
73.13960	2.1
75.04483	38.0
79.05496	11.4
81.06586	4.6
81.07059	89.7
83.08627	32.0
85.06539	2.5
85.10198	3.1
87.58149	2.0
91.05475	7.8
93.05525	7.8
93.07035	8.6
95.04968	3.5
95.08613	100.0
96.08952	3.9
97.06525	8.3
97.10185	17.8
99.08085	3.9
103.03928	18.3
105.07050	7.3
107.08596	6.3
109.06501	2.1
109.09450	4.1
109.10151	51.8
111.08092	3.0
111.11713	13.5
119.08575	6.0
121.06510	2.5
121.10133	4.4
123.08025	3.1
123.11708	20.9
125.13272	7.7
133.10143	5.9
137.13266	11.9
139.11272	1.9
143.08574	2.4
145.10150	2.9
147.11635	2.5
149.07426	3.1
151.14830	7.4
157.10208	3.0
207.21031	9.7
225.22125	8.8
235.20648	2.8
241.23450	4.7
242.23843	7.8
256.26331	5.5
327.25452	11.6
345.16690	2.7
345.20709	3.3
345.26276	18.6
345.31580	3.5
346.29672	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	346.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.8
56.96556	2.1
61.02930	1.4
66.79538	0.7
69.03429	2.9
69.39794	2.3
69.40201	1.9
70.06597	1.0
71.04998	14.6
78.64163	0.7
81.03416	1.4
84.08138	1.0
85.02904	7.6
96.04495	7.0
97.02904	1.6
98.06065	1.3
98.23358	1.4
98.97568	2.9
105.67368	0.7
110.06046	2.1
110.09715	1.7
110.97569	0.9
112.07607	1.7
120.08097	13.5
126.09137	2.0
127.03889	2.8
136.07578	4.6
138.09132	14.8
143.01968	1.6
148.07565	9.6
154.08676	1.0
164.07014	1.1
166.04942	1.5
166.08649	65.1
167.08966	2.0
170.76355	0.9
173.03082	0.8
184.06146	2.6
184.09695	100.0
185.04408	0.9
185.06514	0.9
185.10092	3.5
216.98711	2.1
221.05037	1.5
222.05249	2.3
226.33269	0.7
234.99759	2.6
287.09814	1.2
290.00302	0.8
346.11545	4.9
346.15088	2.0
347.09396	1.3
347.12982	3.0
364.05493	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00274	14.2
50.47028	13.6
55.05505	51.5
57.03411	21.5
57.50819	13.4
62.21660	15.0
64.86984	12.7
67.05511	100.0
67.26470	13.2
69.07059	31.5
79.05486	73.2
81.07052	73.9
83.04970	15.2
83.08611	28.1
91.05478	54.2
93.07035	55.0
95.04983	26.1
95.08578	32.2
97.06538	98.5
97.10159	19.1
98.06915	25.5
98.23508	26.5
105.07047	40.2
107.08601	51.3
109.10154	67.1
119.04715	14.4
119.08568	23.4
120.08080	35.6
121.10123	23.4
128.06181	12.6
129.07008	16.9
131.61589	14.4
133.10104	31.7
145.10193	27.3
155.10658	19.0
173.11803	89.6
189.11226	26.8
193.90407	13.7
195.13776	21.2
217.86690	14.7
241.61389	16.2
242.12447	18.0
275.19980	40.3
276.20441	20.5
346.17154	24.1
360.56265	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	346.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46320	5.8
53.74887	5.7
55.05507	29.0
57.03423	8.1
61.59919	6.2
67.05504	80.9
69.07063	14.8
79.05467	21.3
81.07050	26.1
83.08610	21.9
83.66978	6.3
85.06500	7.6
91.05463	21.7
93.07037	22.4
95.04942	7.3
95.08596	26.0
97.06525	29.4
97.10165	9.9
98.06884	8.7
105.07039	14.8
107.07107	5.4
107.08580	20.8
109.10163	71.4
119.08575	15.2
130.16949	7.1
133.10114	13.1
137.94052	7.2
145.10120	7.8
155.10693	17.5
171.08278	6.0
173.11743	100.0
177.71806	6.5
189.11241	13.3
203.52948	5.5
228.76793	7.7
275.20126	20.8
314.08694	10.3
346.10925	7.1
346.16986	8.6
347.18542	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22846	9.1
53.61580	9.7
54.35291	8.6
57.38812	10.0
69.33189	47.2
69.33589	22.6
75.94337	9.5
98.23353	11.4
116.23962	9.8
134.70085	10.0
187.25349	10.9
187.71773	12.5
263.43903	12.2
303.79419	10.4
315.06854	58.5
347.07434	80.0
347.09509	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	347.0741
Annotation	Cassipourine
Peak:m/z	Relative Intensity
61.20034	6.8
70.06140	6.8
71.05739	9.2
76.01169	7.1
79.20408	6.5
82.45594	8.0
177.41669	8.6
228.38737	6.9
255.76247	7.5
290.35767	7.8
315.07053	51.8
324.08902	9.3
347.07455	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.7
67.05505	0.7
69.03424	1.3
69.73846	2.5
70.99854	1.0
72.55490	0.6
81.03434	1.0
82.99822	4.1
85.06541	1.0
98.97572	1.8
101.00876	25.1
102.00945	1.1
113.00866	3.2
113.03456	1.0
115.02447	1.3
116.98605	0.7
119.01923	27.1
131.01906	6.9
131.05559	0.7
133.03493	1.5
136.06166	2.2
137.00832	0.9
137.02936	1.8
143.01895	85.4
143.05515	1.7
144.02025	5.0
145.03467	2.4
155.01888	4.9
155.05592	0.9
157.03493	1.6
159.01389	0.8
161.02956	100.0
162.03101	6.0
166.08647	0.8
167.05618	1.1
173.02933	5.9
173.06618	1.7
179.04022	1.9
183.05003	0.7
184.04555	1.6
185.02931	1.1
185.06572	7.8
186.07625	0.8
197.01132	0.7
197.06639	6.0
199.08197	1.8
203.04008	43.8
204.04205	3.9
209.06584	2.3
215.07675	2.0
217.08812	0.6
221.05026	7.4
221.06851	0.6
223.04865	1.0
227.07692	4.6
239.07651	2.2
245.05135	0.8
245.08620	0.8
257.08694	2.9
263.06082	1.6
269.08807	0.9
275.09750	2.0
287.09772	20.8
288.10004	1.3
305.10782	8.0
315.06744	0.9
347.07693	1.8
347.12027	21.1
348.12277	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1238
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
54.31382	0.5
55.01794	4.7
55.02077	1.4
56.96392	0.6
67.05422	0.8
69.05320	0.6
69.07001	0.9
69.98508	0.9
77.35493	0.5
82.06500	0.8
85.06462	1.8
92.04920	0.8
93.38454	0.6
94.06457	0.6
95.04902	1.0
97.06461	0.8
104.04920	0.7
108.04400	1.3
110.05969	1.5
114.09047	0.6
122.05961	1.0
127.07456	1.2
130.06470	0.8
134.05887	1.9
138.05438	1.2
143.07141	0.6
144.07993	1.2
146.05956	1.6
148.03888	0.8
148.07407	0.8
152.03326	2.4
156.08029	1.4
157.07533	1.0
158.05902	1.8
158.09630	0.9
160.03835	2.1
160.07477	0.8
161.04581	1.3
162.05396	2.1
165.06964	0.8
167.07205	1.0
168.06638	1.2
168.07988	1.4
169.07489	1.6
170.08224	1.2
170.09560	1.4
171.09073	1.6
172.07515	1.4
172.11139	0.7
176.07019	0.7
178.04958	4.3
181.07547	1.0
182.09589	1.1
183.09079	1.7
184.06195	1.5
184.07603	1.5
184.09775	1.1
185.07124	3.0
185.10695	1.8
186.09058	1.6
187.04990	5.1
188.03325	0.8
195.09142	1.7
196.07585	1.0
197.07014	2.7
197.10616	1.3
198.07779	2.7
198.09343	1.1
199.08649	9.3
199.12314	0.6
200.07082	1.1
200.09149	1.3
200.10806	1.1
201.06570	5.7
201.10213	3.1
205.05986	0.8
209.07001	1.3
209.10666	1.8
210.09042	1.8
211.08589	3.4
212.09337	2.5
213.06604	11.9
213.10185	10.5
214.10663	0.9
215.08110	1.4
215.11687	1.4
222.07721	1.4
223.06183	0.6
223.08496	1.8
224.06927	1.0
225.10233	1.3
227.08163	11.7
227.11636	5.0
228.06577	0.9
228.10167	1.8
229.09674	5.3
231.07657	4.5
237.06429	0.9
237.10107	4.0
238.04784	0.8
238.08725	2.9
238.10661	0.6
239.08080	2.9
239.11731	1.6
240.10355	0.9
241.05945	1.3
241.09706	11.1
243.07544	1.0
243.11186	1.0
245.09169	1.7
250.07286	0.7
251.08110	1.4
254.06943	0.8
255.07590	14.7
255.11206	9.2
257.09180	2.8
257.12701	2.0
259.07159	1.6
259.10733	4.7
264.08948	0.6
265.09720	5.2
266.07993	1.9
267.07645	3.8
267.10114	0.6
268.09570	0.9
269.09161	12.0
269.12732	2.6
270.09641	0.7
273.08643	7.2
273.11816	1.1
275.10379	1.4
283.07660	1.1
283.10745	29.4
284.11169	2.6
285.08871	0.7
287.10220	4.0
293.09216	9.2
301.11868	4.8
301.15103	1.2
311.10242	55.0
312.10742	4.5
315.13361	5.0
319.12936	2.8
329.11301	100.0
330.11630	8.2
347.12366	97.3
347.15738	2.6
348.12689	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	347.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.7
63.26885	0.5
69.28506	2.9
70.44951	0.4
84.48267	0.4
94.06557	0.7
103.93528	0.6
106.06524	0.4
108.04462	0.9
110.06038	0.7
122.06046	0.6
134.06030	0.6
138.05464	1.1
150.05540	0.6
152.03435	1.2
156.08031	0.7
157.07640	0.7
158.05978	0.6
158.09683	0.5
160.03970	1.6
160.07506	0.5
161.04718	0.6
162.05486	1.2
164.59581	0.4
167.07304	0.8
168.06635	0.7
168.08092	0.8
170.08295	0.8
170.09659	0.8
171.09175	1.1
172.07565	0.8
176.07025	1.3
178.04990	2.9
181.07576	0.5
182.09651	1.0
183.09154	1.2
184.06239	0.9
184.07683	0.9
184.11304	0.5
185.07077	2.6
185.10707	1.0
186.07794	0.7
187.05005	3.2
187.08693	0.7
190.04843	0.5
195.09193	0.8
196.07564	0.6
197.07106	1.8
198.07851	1.4
198.09392	0.6
199.08664	5.5
200.07213	0.6
200.09097	0.6
200.10783	0.6
201.06595	4.0
201.10260	2.2
205.06084	0.9
209.07068	0.7
209.10715	1.6
210.09129	2.0
211.08617	2.9
211.12265	0.7
212.10883	0.7
213.06612	7.9
213.10196	6.1
214.07025	0.7
215.08183	1.0
219.07648	0.6
222.07724	0.8
223.08646	1.0
225.06532	1.1
227.04662	0.8
227.08139	8.6
227.11694	3.9
228.06596	0.6
228.08389	0.9
228.10338	1.1
229.09756	4.2
229.13275	0.5
231.07599	4.1
237.06606	0.6
237.10252	3.6
238.08620	2.4
238.10686	0.6
239.08200	2.0
239.11725	1.1
241.06018	0.9
241.09692	6.2
243.07657	0.6
243.11227	0.8
245.09233	1.5
251.08168	1.4
255.07643	12.4
255.11247	7.6
256.12006	0.6
257.09210	2.4
257.12833	1.7
259.07135	1.5
259.10693	1.1
265.09674	4.5
265.75186	0.6
266.08005	0.9
267.07693	3.1
267.10861	0.5
268.09628	0.5
269.09216	8.6
270.09702	0.8
273.08707	5.4
273.11902	0.9
277.06015	0.5
283.10751	23.2
284.11337	1.1
285.09122	0.6
285.12277	0.8
287.10211	3.5
293.09137	7.7
301.11777	5.2
311.10236	45.8
312.10751	2.6
319.12997	2.6
329.11292	76.1
330.11612	5.8
347.12387	100.0
347.16428	5.5
348.12753	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	347.1313
Annotation	Nordercitin
Peak:m/z	Relative Intensity
55.01867	0.6
55.52980	0.4
69.07060	0.8
69.31945	1.1
69.32358	2.0
70.65635	0.5
76.60161	0.5
79.05495	1.0
85.02906	1.0
85.62265	0.5
90.72110	0.5
91.05492	3.7
92.05829	0.6
93.07066	1.0
94.04192	0.7
95.04976	0.8
98.23353	1.0
107.04960	0.7
119.04937	2.9
121.06535	3.8
122.03664	1.5
122.25691	0.5
123.04424	0.5
124.05193	0.5
131.08580	1.4
134.03609	0.9
135.04411	2.2
136.06183	1.3
137.05980	17.1
138.06357	0.7
140.07053	1.0
147.04410	4.2
148.04750	3.0
149.04915	1.5
149.06012	4.7
150.05176	1.0
150.06784	3.4
151.03944	1.0
151.07542	1.9
153.07011	1.9
161.06038	0.7
162.06767	1.2
163.03876	0.8
165.05461	1.3
165.06941	0.5
166.05841	1.3
168.06117	0.4
169.06364	0.5
175.03973	1.2
178.02609	1.2
179.07062	0.6
181.04965	1.5
181.06508	1.8
185.07939	1.5
186.11290	0.9
192.79535	0.5
193.04970	4.9
193.70926	0.5
196.05116	0.5
211.07596	1.0
224.04945	0.6
227.87819	0.5
287.11179	1.2
297.07593	1.8
299.09149	6.7
311.09265	0.7
317.10291	1.1
329.10233	3.3
347.13138	100.0
347.16357	3.7
348.13501	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	347.1313
Annotation	Nordercitin
Peak:m/z	Relative Intensity
55.46560	0.5
67.35953	0.5
69.03419	1.5
71.29081	1.1
79.92610	0.6
85.02898	2.1
97.02905	0.7
111.62373	0.6
167.06839	2.0
167.10590	0.6
185.04236	3.2
185.07854	12.1
186.07695	1.0
203.05302	5.6
265.85153	0.6
285.13116	4.5
300.02750	0.6
301.12570	18.4
347.13107	100.0
347.16772	12.0
348.13483	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	347.1677
Annotation	Gly Arg Asp
Peak:m/z	Relative Intensity
55.05503	0.3
67.05488	0.4
69.03419	0.4
79.05466	0.5
81.07064	0.5
83.04968	0.4
85.02920	0.5
91.05474	0.9
93.07056	0.7
95.08566	0.3
99.04478	0.3
105.07021	0.4
107.08590	0.3
121.10102	0.5
129.66982	0.3
131.08597	0.6
135.08055	0.3
137.05978	0.5
177.12593	0.3
178.04997	0.5
185.11508	1.7
224.89249	0.3
264.31720	0.3
273.09155	0.3
309.53720	0.3
329.11209	0.7
336.46301	0.3
347.16745	100.0
348.17123	7.9
348.22485	1.0
358.57306	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.3
56.96559	4.3
61.29191	1.2
62.55973	1.0
67.05492	3.6
71.30730	1.6
72.82160	1.2
79.05520	3.2
81.07052	3.9
91.05498	2.7
93.07051	3.2
95.04935	2.5
95.08624	1.7
97.06545	2.0
105.07023	3.5
107.08591	2.5
109.10174	2.2
121.06514	3.2
121.10141	2.2
131.08580	2.4
133.06462	1.7
133.10152	1.5
143.08554	2.1
145.10153	1.9
151.07608	1.1
157.10146	1.3
173.09550	1.3
187.07339	1.7
207.13696	1.1
329.14059	2.4
329.17538	4.2
347.18369	100.0
348.18591	7.8
365.16483	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	347.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69407	0.5
55.05508	0.7
55.63507	0.4
56.05030	1.3
57.07064	1.2
58.06609	0.6
63.67085	0.4
64.32243	0.4
67.05498	0.6
69.35844	3.1
71.08630	0.7
73.96538	0.4
74.06079	1.0
79.05510	0.6
81.07049	0.5
82.76707	0.4
88.07630	5.6
89.07966	1.1
91.05480	0.7
93.07028	0.7
95.04975	0.6
95.08598	0.7
100.41409	0.4
107.08599	0.6
109.06543	0.4
118.08618	0.7
119.08576	1.3
121.10144	0.5
139.29042	0.4
157.61421	0.4
161.13281	0.4
183.88165	0.4
193.04979	0.5
197.17816	0.5
235.13002	0.8
239.96797	0.4
249.14487	0.5
284.29651	0.6
285.29657	0.7
289.93753	0.5
298.31192	1.1
299.31369	2.5
346.33218	4.3
347.21918	100.0
347.33438	13.4
348.22226	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	347.2191
Annotation	Cortexolone
Peak:m/z	Relative Intensity
62.07005	0.5
67.05518	0.8
69.07054	1.1
70.38094	1.2
70.38426	0.9
79.05470	0.9
88.07619	1.7
91.05462	0.9
105.07000	1.0
109.06483	1.0
119.08571	1.0
119.24506	0.6
123.08030	0.8
135.08118	0.7
147.08218	0.7
191.14330	1.3
235.12971	1.3
249.14525	1.7
265.14139	1.2
285.29568	0.7
299.31485	0.8
343.94873	0.6
346.33026	1.9
347.21899	100.0
347.33264	3.5
348.22192	6.3
353.26236	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17791	4.6
56.05021	4.3
65.03935	21.8
67.94203	3.9
69.03439	10.7
69.07055	5.1
69.57553	17.0
69.57959	7.7
81.87112	4.3
84.96033	5.5
85.02917	18.5
93.03407	25.1
97.02901	10.8
98.97597	14.4
105.13937	4.3
110.03651	6.6
111.04438	32.1
116.98662	4.5
125.05972	33.4
128.98579	5.4
136.06204	9.4
139.36816	4.3
140.07079	5.9
145.04968	7.7
151.03908	22.9
169.04958	100.0
172.04333	4.7
317.12057	20.2
348.13589	12.2
349.08978	6.6
349.14548	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	349.0531
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25371	16.9
69.25776	22.4
79.54681	6.3
96.81548	5.7
106.47545	6.6
106.58002	6.9
126.03977	5.7
158.65414	6.7
270.37845	8.1
270.47006	6.5
298.10733	6.9
298.32568	7.3
312.74036	8.7
319.35391	6.8
349.05203	100.0
349.09094	22.3
369.05991	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	349.053
Annotation	CCRIS 4079
Peak:m/z	Relative Intensity
59.15118	3.9
67.18515	3.7
69.10854	29.0
84.29375	3.7
151.08694	4.9
250.99911	4.5
317.06396	12.4
349.05228	100.0
349.09070	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0891
Annotation	Pibocin B
Peak:m/z	Relative Intensity
62.73797	0.5
70.08954	0.6
70.09290	1.4
71.04990	0.4
79.81905	0.5
81.07038	1.6
84.99676	0.5
85.02920	1.4
97.41351	0.5
107.69674	0.5
119.04952	0.5
123.11665	0.6
147.04413	1.8
151.11092	0.8
169.12274	1.5
185.04216	1.4
187.03598	2.6
244.40501	0.5
247.04524	1.8
265.05640	1.1
283.06601	0.6
307.06760	1.2
346.46185	0.5
349.08932	100.0
350.09052	6.9
367.08853	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0893
Annotation	Pibocin B
Peak:m/z	Relative Intensity
69.63818	14.0
69.64230	9.3
76.30626	4.2
88.31820	4.3
93.14304	4.2
270.53690	4.6
317.06293	20.8
349.04794	7.5
349.08829	100.0
350.09338	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	349.0895
Annotation	Pibocin B
Peak:m/z	Relative Intensity
69.70063	26.1
79.28695	6.4
82.96778	6.7
93.67123	6.3
98.97602	10.1
99.16058	6.5
107.65929	7.3
126.85288	6.3
157.01726	7.0
190.66212	7.3
197.01302	6.6
289.09665	15.0
302.25720	7.6
317.06284	51.9
349.08948	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	19.5
67.05515	16.2
69.03410	11.3
70.20710	24.3
70.21045	20.2
79.05498	45.2
81.07058	32.3
83.05007	14.5
91.05473	57.3
93.07055	36.6
95.05001	17.1
98.22723	18.4
105.07033	100.0
107.08617	21.7
109.06546	17.8
119.08576	58.2
121.10140	36.4
129.06967	24.4
131.08545	86.8
133.10146	41.0
137.09607	15.9
145.10138	12.6
147.11726	28.9
149.09738	18.0
157.10185	19.3
159.04318	12.1
163.11252	25.7
169.12329	12.3
175.11108	55.9
181.12270	11.7
187.03946	44.4
193.12263	37.0
195.13406	12.7
229.83142	12.0
265.40936	13.6
349.14078	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	349.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03675	2.4
70.69359	2.3
73.47079	2.5
80.05017	4.3
83.97778	2.7
85.02894	6.9
95.08639	3.4
96.08152	3.6
111.04469	2.5
123.08059	2.8
124.07590	18.1
152.07062	100.0
153.07414	3.0
161.04962	3.2
170.48952	2.6
187.02808	10.7
205.03813	15.0
221.04158	2.8
229.03853	8.6
247.04913	5.0
269.12964	2.8
349.09027	40.5
349.13766	5.6
350.09393	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	349.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88969	1.9
56.96568	4.2
58.60307	1.9
60.80388	2.0
69.03433	2.5
69.52035	9.9
69.52314	3.4
71.04996	2.2
75.32661	1.8
79.05475	2.0
80.05025	6.1
81.03415	2.1
81.07063	3.6
85.02905	5.3
93.07072	2.0
107.07381	3.6
124.07592	18.9
132.26135	2.1
142.33052	1.9
152.07056	100.0
152.08228	5.0
153.07469	2.9
161.04922	2.3
171.06592	2.0
187.02788	8.5
205.03874	9.1
211.71812	1.9
229.03889	6.6
331.08963	2.5
349.08902	14.9
349.13657	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	349.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.8
55.01870	10.2
55.05511	24.5
56.96569	17.3
57.03439	20.9
57.07056	4.0
57.21664	2.7
67.05180	4.0
67.05507	42.3
69.03428	3.5
69.07064	36.4
71.05013	6.1
71.28834	4.3
74.81169	2.6
76.86071	3.0
79.05499	58.7
81.03410	3.2
81.07064	53.8
81.15910	2.9
83.04980	11.1
83.08618	10.9
91.05476	42.3
93.07050	51.2
95.04965	16.8
95.08611	33.4
96.51623	3.6
97.06535	13.2
97.10165	4.5
105.07027	46.0
107.04936	14.7
107.08593	34.2
109.06535	18.7
109.10172	14.6
111.08086	4.9
117.07028	13.7
119.08576	31.2
121.06509	16.8
121.10134	19.6
123.08081	8.3
123.11664	3.6
129.06952	4.9
131.08583	32.7
133.06491	7.2
133.10152	29.9
135.08122	7.8
135.11723	7.9
137.09592	8.0
141.06972	5.7
143.08620	5.4
145.06544	3.5
145.10095	25.5
147.08025	4.0
147.11671	18.4
149.09593	9.3
149.13263	5.8
151.11172	6.3
157.10150	10.0
159.08064	3.5
159.11688	14.9
161.09613	5.1
161.13269	6.7
163.11154	15.2
165.12782	4.2
169.10152	4.1
171.11789	4.1
173.09637	3.4
173.13275	9.3
179.10576	3.0
179.14247	2.9
183.11725	3.2
191.14365	6.6
197.13243	4.3
199.06548	3.8
201.12775	4.8
207.13867	4.2
213.08058	8.7
215.18030	3.3
219.13788	4.4
229.07458	11.1
231.09039	8.4
239.17914	5.2
247.08345	3.6
247.20596	5.0
257.19043	21.4
269.10657	5.3
275.20053	100.0
276.20523	7.1
293.21021	7.4
300.44391	3.1
305.86588	3.6
331.15808	4.5
349.16998	13.0
349.20673	2.8
349.23788	39.7
350.24011	5.2
367.17804	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	349.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	8.5
55.05495	25.8
56.96568	89.8
57.03428	10.4
67.05494	43.5
69.07045	26.0
70.64166	16.6
71.95250	11.3
79.05479	51.4
81.07061	54.5
83.08601	11.4
85.35764	8.0
91.05482	45.7
93.07045	38.9
95.04967	12.3
95.08600	32.3
97.06519	13.0
98.98454	11.3
105.07043	28.7
107.04935	17.6
107.08588	59.6
109.06481	13.3
109.10164	20.2
117.06956	13.7
119.08596	19.3
121.10129	28.4
125.09631	15.1
128.98578	9.6
131.08571	21.2
133.10205	31.5
135.11682	10.7
145.10155	18.1
147.11684	19.7
149.13263	16.1
155.00963	14.8
159.11693	10.2
171.11925	14.0
177.12801	16.1
183.03108	9.2
185.04942	13.8
189.04312	8.1
199.06383	12.6
203.05923	13.4
213.07980	15.8
217.07478	19.1
219.17519	9.8
225.07993	15.4
229.19435	10.7
231.09062	16.9
239.09637	14.7
243.09036	11.0
245.10629	9.7
249.08028	9.1
251.09569	13.2
255.09019	20.2
267.09113	44.5
269.10620	100.0
273.10114	15.6
275.19965	14.0
285.10202	47.8
287.11664	33.3
292.11932	10.0
323.99054	9.8
331.15878	15.1
348.33435	10.4
349.16718	22.4
349.23749	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.1
55.05526	1.1
57.03450	0.8
67.05503	3.3
67.35336	0.7
69.07064	1.1
70.06585	1.8
79.05502	3.9
79.66476	0.7
81.07073	4.7
83.08627	0.9
91.05468	2.1
93.07047	2.5
95.08606	1.8
95.63973	0.8
97.06505	1.3
98.23355	2.1
105.07046	3.2
107.04937	1.3
107.08611	2.4
109.06554	0.9
119.08591	2.2
121.10145	1.0
123.08041	1.2
131.08577	1.7
133.10136	1.3
137.05734	3.4
145.10155	1.7
147.11661	1.3
149.09521	0.7
149.13181	0.8
159.11697	0.7
173.13182	0.7
221.11472	4.5
235.13062	1.8
243.25169	1.0
275.20041	2.0
287.27786	1.6
348.31210	1.1
349.19876	100.0
349.31342	5.4
350.20120	5.8
365.37970	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1985
Annotation	(plusmn)-JWH 073 N-(3-hydroxybutyl) metabolite-d5
Peak:m/z	Relative Intensity
53.03951	0.5
55.01868	1.2
55.05506	2.2
57.03426	1.6
58.50824	0.4
67.05505	4.4
68.67233	0.4
69.07062	2.3
71.04205	0.5
71.30549	0.4
73.35268	0.4
79.05492	3.6
81.07061	4.6
81.30442	0.5
81.36984	0.4
83.04948	0.7
83.08622	1.0
85.06556	0.5
91.05476	4.6
93.07027	3.6
95.04955	0.8
95.08614	2.5
97.06518	1.8
97.10166	0.5
105.07027	4.9
107.04931	1.0
107.08592	2.3
109.06550	1.0
109.10171	1.0
111.04199	0.8
111.08104	0.6
117.07020	1.2
119.08548	2.2
121.10129	1.4
122.79253	0.4
131.08575	2.5
133.10118	2.2
135.11684	0.9
137.05771	1.2
143.08528	0.7
145.10146	3.0
147.11671	1.9
149.09602	1.1
159.11691	1.6
161.13339	0.8
171.11687	0.8
173.13297	1.1
183.11725	0.6
221.11589	0.8
225.11021	1.4
250.24080	0.5
257.19025	1.8
261.14612	5.5
275.20099	2.8
284.25952	0.5
331.18948	0.8
349.19843	100.0
349.23529	5.3
350.20154	7.0
350.24057	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.7
55.01879	6.0
55.05512	11.9
57.03435	7.5
65.03934	1.8
67.05508	18.2
69.07065	15.4
71.04994	1.8
71.30215	1.7
79.05022	1.4
79.05495	27.9
81.03426	2.8
81.07059	22.9
82.07354	0.9
83.04992	3.6
83.08619	4.7
85.06559	1.0
91.05484	21.1
93.07047	19.7
95.04972	4.0
95.08614	10.6
97.06535	7.8
97.10175	3.1
103.05458	1.2
105.07031	27.5
107.04941	4.8
107.08602	20.8
109.06516	3.8
109.10197	5.7
109.79359	0.9
111.04205	0.8
111.08121	1.8
117.07020	7.5
118.07639	0.8
119.08585	18.8
121.06527	3.0
121.10155	7.1
123.08052	2.0
123.11719	1.6
125.09653	2.5
128.06256	1.2
129.06989	2.7
129.21095	0.9
131.08575	9.8
133.06487	1.3
133.10120	13.4
135.08087	3.1
135.11685	5.9
137.09624	1.5
141.06972	1.2
143.08592	3.8
145.10132	15.1
147.08031	1.0
147.11708	8.0
149.02370	2.7
149.09636	6.4
149.13260	1.9
155.07181	1.0
155.08556	1.2
157.10136	2.7
159.11697	9.8
161.09647	1.1
161.13280	3.2
163.11093	4.4
169.10175	2.1
171.11711	3.0
173.11913	0.9
173.13281	4.0
175.11133	1.5
175.14760	1.1
177.12794	1.7
179.14355	1.6
183.11707	2.1
185.13089	1.3
187.11246	1.3
187.14844	1.2
189.11267	1.9
191.14348	0.9
197.13229	1.5
219.64612	0.8
225.10973	2.0
229.19501	1.5
239.17993	4.5
247.20551	2.4
257.19046	11.0
258.19189	1.0
261.14606	6.3
273.84283	0.8
273.92480	1.0
275.20056	20.5
276.20413	1.8
280.33722	0.8
313.17865	0.9
331.18970	1.8
349.19861	100.0
349.23798	20.9
350.19989	6.7
350.23621	1.8
350.28772	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02890	0.8
55.05525	1.7
57.03423	1.1
63.20284	0.9
67.05495	3.7
69.07066	3.7
69.53497	5.3
70.94488	0.8
75.68887	0.8
77.39475	0.8
78.50423	0.8
79.05489	5.3
81.07057	5.9
83.04989	1.5
83.08651	1.1
84.28984	1.0
91.05480	4.7
92.49336	0.8
93.07040	4.1
95.04976	1.3
95.08607	3.2
97.06542	1.6
105.07047	3.1
107.08602	3.8
109.10158	1.3
119.08586	3.1
121.10149	1.5
123.08037	1.2
129.07054	1.3
131.08588	2.6
133.10147	3.0
135.11754	1.1
143.08578	1.1
145.10172	1.8
147.11732	1.7
149.09610	1.4
169.28645	0.9
179.14372	2.1
188.51704	0.8
275.20056	3.5
349.23508	100.0
350.23895	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	349.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.2
55.01874	1.3
55.05500	2.5
57.03408	1.5
57.07064	2.9
67.05511	5.0
69.07053	4.0
69.10494	2.7
69.10912	5.7
79.05495	4.9
81.07067	5.8
83.08646	1.3
88.11263	4.5
89.06039	1.2
89.11575	1.3
91.05472	3.5
91.87398	0.9
93.07028	4.4
95.04982	1.1
95.08597	4.0
97.06530	1.9
105.06993	4.6
107.04962	3.8
107.08591	3.8
108.05319	1.7
109.06514	2.4
117.07039	1.4
119.08549	2.8
121.10165	2.2
123.08053	1.6
131.08528	1.4
133.10156	3.0
135.11749	1.2
145.10132	2.1
147.11713	1.6
149.09607	1.3
156.96545	0.9
159.11577	1.6
163.11267	1.0
179.14285	1.7
219.17503	0.9
236.16409	3.7
237.16681	4.7
249.14526	1.3
275.20023	2.8
281.95444	0.9
292.22870	1.3
293.23050	6.4
349.23495	100.0
350.23804	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	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49342	2.9
53.03946	20.8
54.87809	2.4
55.01876	22.0
55.05513	30.5
56.96570	3.2
57.03429	24.1
65.03942	5.8
67.05507	83.4
69.07072	75.7
70.44495	6.6
71.04997	6.1
79.05496	71.1
81.03421	32.2
81.07063	100.0
82.07393	3.9
83.04973	16.2
83.08601	14.6
85.06537	4.9
91.05483	85.8
93.07047	71.2
95.01334	26.8
95.04967	30.3
95.08054	4.2
95.08618	57.9
97.06530	31.6
97.10189	5.4
99.08079	5.7
103.05484	5.0
105.04521	2.8
105.07031	100.0
106.07404	3.3
107.04956	38.3
107.08599	39.3
109.06519	7.5
109.10167	10.2
111.04423	2.7
111.08093	6.1
111.48359	2.9
115.05431	3.4
115.42999	2.2
117.07011	30.4
119.08578	56.3
120.08920	4.3
121.06531	9.1
121.10156	17.2
123.04434	3.4
123.08104	13.4
123.11765	4.2
125.09664	4.2
129.07004	5.8
131.08586	41.6
131.09526	4.4
133.06543	5.4
133.10133	57.6
135.08069	8.0
135.11679	15.9
137.09608	3.2
141.07037	4.4
143.08580	7.1
145.06505	4.9
145.10139	29.1
147.08022	2.8
147.11714	23.9
149.09647	9.8
149.13268	7.0
151.11177	4.2
155.08583	5.3
157.10139	6.4
159.08134	2.8
159.11693	22.1
161.09705	3.7
161.13199	11.9
163.11221	7.1
165.09137	4.6
169.10159	6.2
171.11812	9.1
173.13333	8.6
177.12766	10.9
179.14316	28.0
183.11670	6.3
185.13333	4.3
187.11198	9.7
205.12228	2.6
219.13808	3.5
229.19452	5.1
239.17813	3.5
247.20602	4.8
257.19153	14.4
257.21503	2.9
275.20090	61.0
276.20401	3.5
299.13702	2.7
331.16125	4.2
349.16211	3.3
349.19849	20.7
349.23785	46.7
350.23959	3.1
351.69516	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	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	13.3
55.01871	19.3
55.05516	43.5
57.03438	22.6
57.07063	3.1
61.26580	2.5
63.78189	2.7
65.03957	3.8
67.05507	73.7
69.03436	4.4
69.07066	45.1
69.60114	12.7
71.05002	4.9
72.31920	2.7
79.05493	100.0
81.03419	17.9
81.07056	71.3
81.51311	2.7
83.04971	20.3
83.08611	13.0
91.04892	3.8
91.05477	73.2
92.05814	3.2
93.07045	76.2
95.01341	8.7
95.04974	20.5
95.08599	46.0
97.06522	25.8
97.10173	8.6
99.08076	5.0
103.05517	3.6
105.07021	67.2
107.04958	37.5
107.08596	56.6
109.06503	8.7
109.10155	21.5
109.34223	2.7
111.08087	6.8
115.05453	3.4
117.07014	25.3
119.08576	46.0
121.06501	9.5
121.10135	25.0
121.93845	2.9
123.08055	8.1
123.11720	5.9
125.09631	11.1
129.06975	5.7
131.08578	26.2
133.10129	39.4
135.08060	8.2
135.11716	14.7
137.09607	5.1
141.07004	3.5
143.08585	9.0
145.10118	32.3
147.08014	3.5
147.11687	22.4
149.09633	32.4
149.13268	8.1
157.10138	4.2
159.11691	22.9
161.09715	5.8
161.13264	8.5
163.11217	8.1
163.14870	3.4
169.10117	6.8
171.11708	3.5
173.11777	4.9
173.13275	11.0
174.59709	2.8
177.12756	6.8
179.14313	10.6
183.11748	5.9
187.11150	8.8
197.13304	3.8
205.12379	3.2
215.17926	4.6
229.19453	7.8
239.17943	3.7
257.19064	18.7
275.20099	42.8
276.20462	4.0
349.16669	5.4
349.20120	4.8
349.23709	41.3
350.24127	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	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36381	2.3
53.03953	17.1
55.01870	15.7
55.05511	30.7
55.36121	2.5
56.59104	2.0
56.59430	2.6
57.03432	27.6
57.07076	2.6
59.58494	2.5
65.03938	3.9
67.05507	74.4
69.03435	3.3
69.07070	62.4
71.05009	4.0
72.46152	2.4
77.03962	2.9
79.05151	1.4
79.05495	71.3
81.03419	37.2
81.07057	88.7
83.04986	17.9
83.08607	14.1
85.06562	5.0
91.05482	81.9
92.97097	2.2
93.07045	68.5
95.01321	22.4
95.04960	22.6
95.08605	50.5
95.09164	3.9
96.69037	2.1
97.06538	30.5
97.10172	5.7
99.08032	3.4
101.60299	2.2
103.05525	3.0
105.07032	100.0
106.07364	3.9
107.04951	41.2
107.08593	38.5
109.06509	14.9
109.10162	11.3
111.08080	4.3
113.09629	3.0
115.05480	2.6
117.07017	27.8
119.08598	49.9
121.06537	8.1
121.10160	18.1
123.04428	7.0
123.08090	13.0
124.51186	2.3
125.09657	5.1
129.07007	3.1
131.08565	43.5
133.06480	3.7
133.10132	60.8
134.10507	3.3
135.08066	8.3
135.11693	16.3
137.09642	7.9
139.07515	3.4
141.06993	7.1
143.08585	7.4
145.06499	6.8
145.10117	38.0
147.11681	28.1
149.09596	16.2
149.13287	10.2
151.07585	3.1
151.11212	6.0
155.08549	4.1
157.10138	7.9
159.08005	3.0
159.11685	33.7
161.09604	4.1
161.13290	9.2
163.11201	8.2
165.09047	3.0
169.10150	9.5
171.11722	7.5
173.13339	5.6
177.12790	13.9
179.14291	28.8
183.11693	7.1
183.64149	2.5
185.13275	4.8
187.11229	10.7
195.13799	2.9
197.13245	5.3
201.38788	2.5
205.12273	3.0
211.14796	5.2
229.19502	2.8
229.41885	2.6
239.17978	6.1
247.20578	5.7
251.12503	2.6
257.19025	18.3
257.26764	5.3
275.20053	59.7
276.20285	3.8
349.19870	32.4
349.23755	32.3
349.31451	8.1
350.23901	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	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	23.4
55.01873	17.3
55.05514	31.0
57.03438	21.7
57.07078	4.0
59.04996	1.5
65.03928	5.7
67.05505	79.2
68.05833	2.5
69.03420	4.1
69.07069	70.2
70.07416	1.8
71.04987	4.6
76.65841	1.4
79.05493	68.4
81.03419	31.0
81.07059	100.0
83.04973	14.2
83.08615	13.5
85.06544	5.0
85.10172	1.7
91.05482	84.8
92.05823	2.2
93.07044	65.6
93.07633	3.3
94.07370	2.8
95.01329	22.2
95.04969	24.5
95.08607	65.1
97.06525	28.5
97.10173	5.6
98.22649	3.9
98.73281	1.6
99.08084	2.9
103.05447	2.0
105.04500	2.0
105.07026	95.0
106.07359	2.8
107.04959	41.2
107.08598	37.2
108.08896	1.7
109.06513	16.0
109.10141	16.9
111.04446	3.2
111.08090	6.5
113.09607	3.1
115.05428	3.5
117.07011	30.9
119.04946	2.0
119.08585	48.3
121.06480	8.8
121.10151	15.4
122.10596	1.7
123.04439	5.5
123.08082	13.0
123.11710	5.6
125.09636	4.3
127.08057	1.6
128.06178	1.7
129.07011	5.9
130.07761	1.8
131.04942	1.9
131.08566	38.9
132.08929	2.2
133.06512	3.8
133.10129	57.9
135.08066	6.5
135.11700	16.6
137.09641	6.4
139.07484	2.5
141.06976	2.6
143.08534	8.9
145.06503	9.9
145.10123	28.8
146.10420	1.6
147.11685	24.3
149.09644	10.1
149.13324	8.4
149.14305	1.8
151.11209	4.3
155.08539	2.4
157.10147	5.6
159.08041	3.2
159.11696	26.5
161.09610	3.6
161.13264	9.1
163.11185	8.0
163.14839	3.5
165.12735	1.9
169.10158	7.2
171.11790	6.9
173.13239	7.2
175.11232	2.7
177.12752	10.6
179.14296	29.9
180.14767	2.0
183.11668	4.6
185.13255	3.0
187.11174	9.7
187.14821	2.8
189.12770	2.0
195.13686	2.0
197.13202	3.2
229.19409	2.4
239.17957	4.5
241.14311	1.9
247.20670	4.0
257.18994	11.5
275.20087	59.7
276.20334	3.2
290.73831	1.6
293.21005	2.1
329.18253	1.5
349.23795	34.7
349.27881	2.7
350.24039	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	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	18.3
55.01873	17.4
55.05506	28.0
57.03438	22.5
57.07064	3.7
62.04634	1.7
65.03922	4.0
67.05504	82.4
69.03423	3.7
69.07069	78.4
70.07384	2.4
70.45235	4.7
71.04988	5.6
79.05022	1.9
79.05492	73.2
81.03416	36.5
81.07053	100.0
82.07404	3.3
83.04978	16.0
83.08613	14.5
85.06529	3.0
91.05482	76.9
92.05829	2.3
93.07041	67.8
94.97950	1.8
95.01323	23.4
95.04967	22.6
95.08609	65.6
96.08919	2.5
97.06531	26.7
97.10175	5.0
103.05447	2.7
105.04524	2.6
105.07023	94.9
106.07362	2.5
107.04953	46.4
107.08595	33.1
108.08949	2.1
109.06516	11.5
109.10164	15.9
111.04459	1.8
111.08083	5.6
115.05444	3.1
117.07014	28.4
119.08582	52.7
121.06480	11.0
121.10143	15.4
123.04430	5.9
123.08059	10.6
123.11710	3.6
125.09674	4.0
129.07007	3.4
130.07758	2.4
131.08571	35.8
133.06502	3.3
133.10123	58.4
135.08058	10.1
135.11671	14.7
137.09631	3.0
141.06985	5.7
143.08572	5.9
145.06482	8.2
145.10126	25.0
147.07999	2.4
147.11685	22.8
149.09641	14.9
149.13255	8.9
151.11134	2.6
152.51208	2.1
157.10141	6.2
159.08125	2.9
159.11690	22.5
161.09676	2.8
161.13274	10.2
163.11185	8.2
165.09177	2.4
169.10115	6.3
171.11864	4.6
173.09677	2.1
173.13275	8.2
177.12724	11.8
179.14302	27.4
179.84242	1.9
183.11652	2.8
187.11131	10.8
195.13727	3.1
197.13260	2.7
201.12770	2.0
205.12325	4.5
229.19672	2.4
239.17828	2.8
247.20686	3.3
257.19028	11.0
275.20062	56.6
276.20563	2.6
302.59631	1.9
349.23743	32.6
349.33749	4.1
350.24002	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95586	1.7
53.03942	10.6
55.01872	20.9
55.05238	2.3
55.05512	44.8
57.03435	21.5
57.07080	2.9
65.03935	2.7
67.05505	71.7
69.03422	3.2
69.07069	40.5
71.04990	5.0
71.08649	10.9
79.05495	100.0
81.03419	18.4
81.07056	76.7
82.07376	2.4
83.04980	21.3
83.08621	14.1
85.06535	3.9
90.77746	1.5
91.04906	2.6
91.05482	68.7
93.07043	68.9
94.07391	2.5
95.01355	8.5
95.04977	19.0
95.08604	45.3
96.08975	2.1
97.06531	27.4
97.10175	11.6
99.08087	10.5
103.05507	2.5
105.04492	2.2
105.07024	70.8
107.04956	36.7
107.08594	52.4
109.06535	9.1
109.10150	18.2
111.08087	4.7
115.05466	1.9
117.07017	21.0
119.08583	38.5
121.06519	6.6
121.10127	20.5
123.04384	2.5
123.08061	6.6
123.11738	3.1
125.09624	10.6
129.07048	6.9
131.08562	25.8
133.06499	2.0
133.10120	44.9
135.08037	10.9
135.11671	12.1
137.09586	4.4
137.21222	1.6
141.07011	2.6
143.08574	4.4
145.06471	3.4
145.10121	23.3
147.08070	2.5
147.11682	19.5
149.09608	35.0
149.10728	3.1
149.13272	6.2
150.09996	1.9
151.11172	3.4
153.09138	3.0
155.08594	2.7
157.10158	4.2
159.08031	1.9
159.11681	21.2
161.09625	4.6
161.13240	9.5
163.11188	6.1
163.14844	4.5
164.06984	1.4
169.10133	5.5
169.12233	2.7
171.10243	2.1
171.11813	6.2
173.11855	3.5
173.13271	4.8
177.12727	22.0
178.13098	2.4
179.14314	14.2
183.11641	3.2
185.13304	3.1
187.11235	4.4
187.14717	2.3
189.11186	4.0
191.14368	1.8
197.13287	1.9
200.16327	1.4
201.12857	2.0
205.12259	2.8
209.15387	2.0
212.83623	1.9
219.13774	1.6
219.17465	2.1
229.19543	4.9
233.15411	1.7
239.18100	2.9
247.20503	3.4
257.18933	9.4
258.89539	1.9
275.20068	44.0
276.20505	4.4
343.04074	1.7
349.19696	4.7
349.23718	30.1
349.27713	2.3
349.33994	1.7
350.23282	3.6
350.27277	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	5.3
54.60252	4.6
55.05508	28.2
57.03457	5.5
57.07072	12.9
58.87839	4.8
65.03967	5.2
65.58504	3.9
67.05510	48.4
69.03442	5.4
69.07070	33.4
69.35241	9.5
69.35662	23.7
70.20334	4.1
71.04976	5.0
78.36852	4.1
79.05498	50.8
81.03423	5.0
81.07060	57.5
83.04968	6.5
83.08626	11.3
85.27609	4.4
89.06014	4.7
91.05489	68.2
91.06026	7.9
93.07036	68.6
95.04974	30.5
95.08601	57.4
97.06538	18.9
104.44843	4.6
105.07030	100.0
106.07298	5.1
106.38347	4.6
107.04974	6.9
107.08599	57.5
109.06528	20.8
109.10155	43.5
117.07030	19.4
119.08584	78.0
121.06559	6.9
121.10155	68.5
123.08057	14.2
123.11694	8.1
125.09641	5.2
128.06268	6.0
129.07005	14.7
130.07870	6.9
131.08591	42.0
133.10130	50.8
135.08066	18.8
135.11674	21.9
137.36243	4.6
141.06990	10.4
142.07791	15.7
143.08557	36.0
144.09311	6.1
145.10120	71.9
146.10437	4.9
147.08054	8.9
147.11682	28.1
149.09547	10.9
149.13245	6.5
155.08563	13.2
156.09358	11.8
157.10106	31.3
158.10971	7.4
159.08035	7.7
159.11674	24.4
161.09659	16.2
161.13229	8.8
163.11237	7.3
167.08635	7.1
169.10133	18.1
170.10930	5.7
171.11732	25.3
172.12210	5.8
173.13272	22.0
179.08612	9.0
179.14342	13.0
181.10178	12.6
182.10924	8.1
183.11732	17.2
185.13295	13.6
187.14818	20.9
189.12848	5.1
194.10962	9.3
195.11691	14.0
197.13309	16.1
199.14772	9.8
200.15599	4.9
209.13300	23.0
211.14803	14.3
223.14905	8.4
225.16373	6.6
227.14311	7.2
237.16487	5.9
239.17917	7.0
251.18037	5.4
253.19388	5.8
255.17271	5.5
275.20139	15.2
308.13245	4.5
313.62744	4.4
349.24921	54.4
350.25742	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.9
55.05519	24.5
57.07068	10.1
65.03941	4.2
67.05515	40.7
68.98942	2.9
69.03427	6.3
69.07083	27.4
69.13451	15.2
69.13882	16.5
71.04982	9.0
79.05506	41.3
81.07057	53.2
82.07458	3.2
83.04897	3.2
83.08643	5.1
90.10316	3.3
91.05482	61.6
93.07046	68.6
95.04985	40.1
95.08620	65.0
97.06533	12.3
98.22548	4.4
103.05482	3.9
105.07037	100.0
107.08601	57.1
109.06547	10.0
109.10165	39.5
115.05458	7.9
117.07056	23.0
119.08594	93.5
120.69460	3.7
121.06541	11.2
121.10143	88.2
123.08033	5.4
123.11717	21.2
128.06250	10.8
129.07008	19.8
130.07826	7.8
131.08582	48.4
133.10135	58.2
135.08063	15.5
135.11726	20.0
141.07019	11.5
142.07813	23.6
143.08580	44.2
144.09331	13.1
145.10126	70.6
147.08037	9.8
147.11700	21.8
149.09615	8.4
155.08546	17.9
156.09375	15.9
157.10135	40.3
158.10876	7.3
159.07953	5.0
159.11667	27.0
160.08844	3.4
160.12260	4.0
161.09627	21.7
161.13280	15.7
163.14851	4.3
165.07019	7.7
166.07739	4.3
167.08566	12.1
168.09351	8.8
169.10132	27.7
170.10925	10.4
171.11723	23.0
173.09653	4.5
173.13249	22.9
175.11211	6.3
175.14806	11.8
179.08595	16.6
180.09302	7.9
181.10146	16.5
182.10989	8.3
183.11710	22.7
184.12431	4.7
185.09499	4.5
185.13258	21.7
187.14815	20.7
194.10947	13.5
195.11697	17.7
196.12383	6.4
197.13284	16.5
198.14076	7.0
199.14888	14.4
209.13263	22.1
210.13887	5.7
211.14880	11.1
213.16393	6.3
221.13252	3.8
223.14731	7.0
225.12766	3.8
225.16342	10.5
227.14311	10.1
239.17845	6.8
249.16229	4.3
251.17989	9.0
253.19609	4.6
263.17990	3.7
265.19492	5.8
267.21088	4.2
331.24377	7.0
349.25217	57.0
350.25824	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	349.2736
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03956	0.6
55.01870	1.6
55.05515	6.9
57.03431	1.8
57.07061	1.6
59.05015	0.6
67.05505	9.8
69.07070	13.1
71.04993	1.0
71.08606	0.6
73.06548	1.0
79.05490	7.0
80.48057	0.5
81.03414	0.8
81.07053	11.3
81.07523	0.8
83.04955	1.5
83.08620	5.2
85.06544	1.4
91.05481	6.1
93.07047	7.6
95.04966	1.8
95.08604	9.2
97.06536	3.0
97.10187	1.3
98.23357	2.1
98.51768	0.6
99.08093	0.8
103.05444	0.7
105.07030	6.7
107.04943	0.9
107.08598	6.8
109.06524	13.8
109.10153	5.1
111.08080	2.4
117.07029	1.9
119.08597	5.7
121.06509	0.9
121.10155	5.8
122.07307	0.6
123.08067	67.5
123.11708	2.2
124.08423	1.5
125.09630	1.1
131.08557	2.9
133.10123	4.7
135.08047	5.1
135.11700	2.5
136.08775	0.6
137.09587	3.9
137.13216	0.7
139.11192	0.6
143.08592	1.3
145.10124	3.0
147.11649	3.2
149.09637	2.1
149.13264	1.9
151.11221	0.9
157.10129	1.3
159.11671	2.7
161.13303	1.8
163.11174	1.3
163.14857	0.6
167.14322	0.8
169.10124	0.8
171.11681	1.2
173.13260	1.1
175.14873	1.0
179.14316	15.1
193.15939	0.8
197.13271	0.8
209.13222	0.7
229.38046	0.8
233.15387	1.3
233.18880	0.7
275.20081	3.7
289.25375	1.3
293.21091	18.1
294.21436	0.7
303.26981	0.8
307.22583	0.9
311.71429	0.6
331.26202	3.6
349.27396	100.0
350.27753	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	349.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	4.5
57.03428	0.8
57.07076	41.0
59.04998	0.7
67.05508	6.7
69.03418	0.8
69.07068	5.2
69.45141	1.0
69.45544	3.0
71.04996	1.3
71.08636	24.7
72.04507	0.9
73.06556	3.5
74.07607	0.6
79.05492	6.4
81.07056	9.7
83.04996	0.6
83.08617	3.0
85.10184	21.1
86.10517	0.5
87.04470	1.0
89.06030	100.0
89.40004	0.5
90.06384	1.6
91.05473	9.0
91.07634	0.6
91.37916	0.5
93.07041	10.4
94.07368	0.6
95.04961	3.3
95.08596	6.6
96.24950	0.5
97.06520	1.6
97.10169	2.1
97.20891	0.6
99.11729	2.9
103.05433	0.8
105.07027	13.9
107.04988	0.6
107.07061	6.1
107.08589	7.1
109.06530	2.1
109.10148	5.2
117.07005	2.6
117.09130	0.8
119.06250	0.6
119.08572	10.7
121.06524	1.4
121.10133	10.8
123.08070	1.9
123.11695	1.5
125.09695	0.9
128.06238	1.0
129.07024	1.9
130.08658	1.3
131.08565	6.5
133.08603	30.1
133.10100	5.8
134.08852	0.7
135.08049	1.5
135.11710	2.0
137.09549	0.6
137.34515	0.6
142.07797	2.0
143.08571	4.4
144.09358	0.9
145.10121	6.4
147.11711	2.1
149.09610	1.2
149.13281	0.8
151.09703	3.7
151.10698	0.6
152.92720	0.5
155.08511	1.2
155.17964	1.7
156.09358	0.9
157.10115	5.1
159.08008	0.8
159.11710	2.8
161.09578	2.6
161.13310	1.0
167.08568	0.9
169.10168	1.3
171.11713	2.2
173.13310	2.2
175.11177	0.7
175.14848	1.0
177.11259	4.8
177.12642	0.8
179.08598	1.5
179.10658	0.5
179.14317	1.6
181.10164	1.7
182.10918	0.7
183.11716	1.8
185.09605	0.8
185.13252	1.2
187.14848	2.5
194.10950	1.4
195.12294	15.2
196.12532	1.0
197.13263	1.6
198.14917	1.9
199.11467	0.6
199.14799	1.2
209.13290	2.1
211.14929	1.0
223.14700	0.6
233.13283	0.6
239.17964	0.7
257.19208	0.7
275.20139	1.2
347.70007	0.6
349.15045	0.5
349.25351	3.3
349.29639	2.2
352.61832	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01855	0.6
57.03447	0.7
58.99569	0.7
61.02913	2.3
64.47670	0.5
65.03938	5.8
66.16453	0.5
67.05491	0.7
69.03429	5.2
71.29260	0.7
71.29688	0.7
73.02920	1.2
79.05477	1.0
81.03400	2.4
81.07042	0.8
83.04958	0.7
84.08144	1.7
85.02905	12.2
87.04474	1.6
91.03991	0.7
91.05456	0.7
93.07054	1.7
94.06560	2.6
95.01357	0.5
97.01111	0.6
97.02888	5.6
99.02670	8.3
99.04422	1.2
107.04965	1.1
108.08125	0.7
109.02874	1.9
109.05196	0.6
111.04465	1.7
113.05975	0.7
119.04913	0.9
120.66138	0.6
124.07601	1.0
125.09619	0.7
126.03733	2.2
127.03832	3.1
127.04720	0.7
127.07513	0.6
135.08057	1.0
139.04483	1.1
140.05272	3.9
143.08586	0.6
145.04947	1.7
152.05289	100.0
153.05602	4.4
153.09091	2.2
154.06847	7.9
170.06352	31.7
171.06543	2.8
171.10265	1.0
185.07082	0.7
188.03789	2.0
188.07420	13.3
188.09164	1.6
241.19861	0.8
242.33522	0.6
245.08897	0.7
257.83453	0.6
319.12897	1.1
332.11548	13.5
333.10938	1.9
350.12607	5.8
350.16217	0.8
351.10461	4.8
351.14005	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05517	4.9
55.05497	13.1
55.22321	5.1
58.45438	5.0
59.05006	6.1
67.05511	24.0
69.03424	18.1
69.07063	9.1
71.05000	10.2
71.28796	6.6
79.05499	11.3
81.03432	6.6
81.07047	36.4
83.04974	8.7
83.08621	12.0
84.09545	5.6
85.02895	23.3
91.05476	16.2
93.06577	5.1
93.07063	61.8
95.04973	6.2
95.08602	57.6
97.02884	8.5
97.06535	24.2
97.10193	6.0
105.07015	9.1
107.04943	5.7
107.08605	70.2
108.25874	4.3
109.02929	5.2
109.06504	5.3
109.10164	42.8
110.08950	4.8
119.08616	7.1
123.11703	18.6
127.03928	7.3
133.10191	5.4
133.47560	4.7
135.11700	100.0
137.09590	5.9
141.12738	8.8
143.08714	6.8
146.44978	5.1
147.04523	9.0
153.12755	62.8
158.11786	11.3
171.13828	41.1
188.10706	7.2
198.97757	5.8
234.03395	5.5
340.19434	4.8
351.14285	28.2
351.17926	7.0
369.70673	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	350.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76574	23.5
67.05513	30.6
69.03425	74.9
69.54775	100.0
71.05007	32.9
79.05510	31.0
81.03407	39.1
81.07056	60.7
85.02913	29.5
91.05490	32.9
93.07040	48.3
95.04959	36.3
95.08607	42.6
97.02866	24.6
105.07024	38.0
107.08604	42.8
109.02951	23.0
119.79160	23.7
124.07644	31.6
131.08586	25.7
133.10118	42.1
135.11717	42.4
147.04475	62.7
147.44331	21.3
153.09114	21.2
189.12733	32.0
213.60559	21.0
218.08113	21.9
350.12213	59.5
350.24072	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	350.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	28.8
71.30054	33.1
73.10277	24.7
79.05508	25.9
83.04957	22.8
91.05484	54.5
91.50819	28.3
97.06506	43.8
105.07037	34.1
107.04942	38.7
107.08595	25.9
119.08603	43.7
147.04443	100.0
153.12700	36.3
161.09721	33.8
166.76138	27.7
175.11449	24.0
235.12764	24.6
260.93890	26.7
350.14966	61.6
351.12466	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40968	4.0
56.96571	10.4
69.23409	3.5
69.86939	17.0
91.33449	3.9
98.22536	4.8
98.97585	18.6
110.97594	6.2
116.98635	4.7
128.98636	5.0
219.01807	7.9
237.02867	8.2
291.07663	13.2
309.08582	12.3
319.07483	5.7
351.10492	100.0
352.10205	4.7
373.33386	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	351.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41520	17.7
54.74050	24.4
57.03434	22.8
57.07074	17.4
61.07997	18.5
67.05509	57.3
69.03442	76.6
70.06603	44.6
70.92690	42.6
73.02910	25.0
79.05515	27.1
79.41668	24.2
81.03421	46.1
83.04962	30.7
84.08143	40.6
85.02920	92.6
85.06538	100.0
86.06093	19.3
87.00837	37.9
97.02894	60.8
99.04447	22.7
105.01887	49.3
107.04889	21.5
109.02930	33.7
127.03899	60.1
127.07594	38.5
127.75688	20.8
136.06195	37.3
136.07521	21.1
137.06036	25.8
139.28548	19.9
143.15678	26.1
150.09117	19.2
173.08194	25.3
211.09676	24.5
213.57060	18.8
220.08351	69.1
245.09409	25.7
310.89059	20.4
333.10922	34.7
351.11392	29.2
351.15308	95.2
351.72357	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	351.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.3
55.43389	0.2
65.03923	1.1
67.05515	0.3
69.07084	0.3
70.30800	0.4
70.31133	0.5
71.05000	0.2
72.25249	0.2
79.05520	0.4
81.03428	0.4
81.07059	0.4
84.08210	0.2
91.05482	13.9
92.05855	0.3
93.07034	0.4
95.04970	0.3
95.08589	0.3
103.05485	0.3
105.07004	0.7
107.04972	0.2
109.10165	0.3
111.18446	0.2
118.85969	0.3
119.04945	30.2
119.08573	0.4
120.05281	0.9
124.07618	0.3
130.06525	0.5
132.08084	0.6
137.05840	0.3
141.07121	0.2
144.08061	0.3
146.06029	0.4
147.04407	100.0
148.04744	3.8
159.09198	2.1
176.10512	0.2
177.29187	0.2
188.07048	0.6
215.11789	0.5
259.13336	0.4
351.12839	0.5
351.16986	2.2
351.22351	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59259	0.1
53.91520	0.1
62.29223	0.1
65.03939	1.1
67.05492	0.2
70.46958	0.3
70.47285	0.2
81.07064	0.2
91.05480	14.0
92.05807	0.4
95.19136	0.1
107.04974	0.1
107.08577	0.1
118.03561	0.1
119.04942	29.4
120.05266	0.8
130.06534	0.2
132.08104	0.4
144.08083	0.2
146.06010	0.4
147.04404	100.0
148.04741	3.9
159.09186	2.1
185.07185	0.2
188.07039	0.7
205.09831	0.2
285.41934	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	351.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
55.05511	0.6
57.03426	0.5
62.53670	0.3
65.03941	1.0
67.05504	0.8
69.07062	0.4
71.30791	0.4
79.05486	0.9
81.07040	1.1
91.05478	11.8
91.89992	0.3
93.07023	0.8
95.04950	0.4
95.08585	0.8
97.06503	0.7
105.07063	0.7
107.04893	0.3
107.08591	0.4
108.72273	0.3
109.06560	0.3
109.10182	0.3
115.05464	0.3
119.04942	29.0
119.08582	0.6
120.05281	0.8
121.10172	0.6
123.08085	0.6
125.09433	0.3
126.15350	0.3
131.08578	0.4
133.10123	0.3
135.11711	0.5
146.05940	0.5
147.04404	100.0
148.04727	3.3
159.09160	2.1
159.11566	0.3
163.11255	0.5
167.08476	0.4
188.07085	0.8
220.09053	0.3
259.29395	0.3
265.04990	0.4
323.12631	0.4
351.12314	1.6
351.17169	0.9
351.21683	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02352	0.3
52.78702	0.3
53.03949	0.7
55.01873	7.2
55.05522	1.5
57.03452	1.5
57.07065	1.2
61.02920	0.7
65.03934	0.4
67.05506	3.1
69.03423	1.2
69.07067	4.1
69.16280	1.9
71.01350	1.6
71.04995	3.0
73.02923	1.7
77.49618	0.3
79.05499	3.2
81.03413	2.3
81.07050	4.5
83.04969	0.9
83.08612	0.4
85.02908	0.9
85.06550	0.8
91.05478	17.5
92.05818	0.5
93.07042	1.9
95.04968	1.2
95.08601	2.6
96.73264	0.3
97.02895	5.1
97.06530	10.2
99.04454	1.2
99.08096	0.7
99.83933	0.2
101.02373	0.7
103.03889	0.3
103.05472	0.4
105.07034	0.9
107.08586	0.4
109.02882	0.5
109.06516	1.5
109.10130	0.7
111.08079	3.1
115.05460	0.3
115.07566	1.3
117.07004	1.9
118.04134	0.6
119.08587	0.7
121.10175	0.4
123.04422	1.1
123.08067	2.7
123.11733	0.4
125.06010	2.2
127.03904	2.0
127.07563	5.2
130.97124	0.3
137.09608	1.6
139.07523	2.0
141.09096	1.1
143.07071	0.8
145.06487	0.3
147.08047	100.0
147.09097	5.4
148.08380	4.3
151.07545	4.4
165.09105	4.1
169.08588	7.3
187.09627	0.8
333.16977	1.2
351.17911	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.7
55.01878	9.8
55.05510	20.9
55.06511	2.1
56.96571	5.7
57.03436	7.2
57.07081	7.1
64.38587	2.0
65.03967	2.6
67.05505	62.9
68.28163	2.3
69.03445	3.2
69.07066	27.5
71.04993	4.5
71.08645	6.6
71.30589	3.5
79.05495	64.9
81.07059	66.9
81.07524	3.5
83.04988	5.4
83.08635	5.7
85.06557	4.2
85.41879	2.3
91.05486	66.4
93.07043	92.3
95.04960	21.8
95.08608	46.7
95.09169	3.7
97.06558	9.3
99.08105	8.4
105.07026	67.7
106.07317	3.1
107.08592	57.5
107.09289	3.6
108.08966	2.6
109.06513	51.5
109.07240	2.6
109.10152	17.2
111.08096	4.8
117.07011	15.8
119.08580	69.7
120.08903	3.1
121.06526	9.9
121.10143	38.2
123.08128	6.0
123.11695	3.0
125.09680	3.7
128.06235	2.7
129.07031	9.0
131.08571	29.7
133.10132	54.0
133.11058	3.5
135.08089	8.8
135.11700	34.2
137.09668	8.0
137.97820	2.6
142.07803	2.2
143.08578	12.2
145.10123	25.4
147.08028	3.5
147.11685	48.2
148.12047	3.9
149.09679	8.3
149.13249	23.4
151.11217	4.2
157.10132	10.3
159.11690	18.9
161.09564	2.5
161.13257	34.4
163.11279	8.0
163.14897	6.7
165.12762	44.4
165.14076	3.3
169.10258	2.6
171.11710	21.6
172.12408	2.5
173.09644	3.3
173.13260	13.1
175.11284	3.0
175.14828	22.4
177.12770	3.0
185.13211	16.2
187.14835	5.5
189.12825	4.1
189.16397	2.5
191.14380	5.7
199.14850	7.9
209.13341	2.6
213.16415	4.3
217.19527	6.4
231.21155	8.8
233.15456	3.1
241.19537	32.8
255.09106	2.9
259.20596	90.4
260.20999	4.1
261.22232	6.0
267.09171	4.4
269.10669	4.7
273.10214	2.9
277.21503	5.7
285.10281	3.9
289.21613	47.8
295.19073	3.6
333.17749	2.8
333.24332	6.5
351.19366	10.4
351.25400	100.0
352.25760	9.1
360.33679	2.5
369.19714	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2141
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
53.07913	0.5
53.68477	0.5
55.01872	0.8
55.05500	1.1
57.03445	0.7
58.97410	0.4
67.05497	2.0
67.90485	0.5
69.07076	0.9
71.08649	0.7
74.43061	0.4
79.05486	1.6
81.03425	0.7
81.07056	2.6
83.04982	0.6
83.08581	0.4
91.05477	1.7
93.07041	1.7
95.04966	0.8
95.08604	1.7
97.06519	1.4
98.23376	1.0
105.07050	0.8
107.04910	0.6
107.08595	1.2
109.10147	0.7
111.08089	0.6
117.06955	0.5
119.04915	0.7
119.08595	1.0
121.02864	0.5
121.06548	0.5
121.10123	1.0
133.89224	0.4
147.04393	0.9
149.13252	0.6
161.13234	0.5
169.89986	0.5
202.11145	0.6
218.70102	0.6
236.54478	0.6
267.06543	0.5
277.21655	1.2
321.37592	0.6
333.20169	1.3
351.12866	2.2
351.21405	100.0
352.21744	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	351.2317
Annotation	2-Geranyl-3,5-dihydroxybibenzyl
Peak:m/z	Relative Intensity
53.03939	5.2
55.05508	14.3
57.03407	4.4
57.07069	8.5
59.05010	6.0
63.60211	3.1
67.05508	19.2
69.07077	16.6
71.05000	4.1
71.08652	6.7
79.05507	20.1
81.07047	34.1
82.83704	3.9
83.08622	4.7
85.06534	8.4
91.05479	33.6
93.07040	38.7
95.04978	11.4
95.08619	28.3
97.02879	3.8
97.06509	5.4
98.22536	6.1
99.04462	4.1
99.08102	4.2
103.05440	4.7
105.07037	46.5
107.08596	32.7
109.06519	6.8
109.10149	32.5
111.08068	11.4
117.07031	8.8
119.08582	53.6
121.06591	4.0
121.10138	62.1
123.08079	7.9
123.11701	9.7
128.06197	5.9
129.07004	11.3
131.08565	30.4
133.08315	3.4
133.10130	24.5
135.08037	5.3
135.11697	15.2
137.05991	14.0
141.07024	9.7
142.07793	10.4
143.08551	26.1
144.09366	7.5
144.82613	3.9
145.10114	37.3
147.11694	13.1
149.09589	4.6
151.11261	3.8
155.08572	14.1
156.09340	11.6
157.10133	30.5
158.10837	4.6
159.08044	5.2
159.11679	24.3
161.09569	3.8
161.13255	7.2
163.11240	4.8
167.08565	7.4
168.09367	5.6
169.10097	19.6
171.11685	26.4
173.13229	20.5
175.14836	11.0
179.08624	7.9
180.09309	5.9
181.10130	13.9
182.10907	4.1
183.11676	17.9
185.13268	11.7
186.13879	3.6
187.11212	6.3
187.14809	19.0
193.10065	10.7
194.10947	6.2
195.11687	18.8
197.09631	4.2
197.13248	16.6
199.14828	8.4
207.11732	9.9
209.13205	18.9
210.13857	5.6
211.11224	9.8
211.14815	10.8
220.12476	5.1
221.13376	5.5
222.13728	3.9
223.14819	11.1
225.12758	4.1
229.12247	8.7
233.13367	3.7
235.14783	5.0
237.16411	10.4
239.14182	4.4
239.17998	4.1
249.16351	4.7
252.18529	4.8
257.15262	3.9
265.16058	4.6
265.19513	11.7
275.17886	6.7
291.21033	4.3
305.22699	5.0
323.23587	5.0
333.22049	12.1
351.23050	100.0
352.23544	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.4
53.03939	4.4
55.01862	3.6
55.05511	19.3
57.03439	9.3
57.07068	4.4
59.04988	1.6
65.03938	3.3
67.05505	53.0
69.03436	2.0
69.07065	19.1
70.33141	3.1
71.04988	2.7
71.08614	2.0
75.04476	2.3
77.03943	1.8
79.05491	75.9
80.05822	1.2
81.07056	57.8
82.07395	1.9
83.04971	3.7
83.08605	8.6
85.06545	5.4
91.05480	55.2
92.05810	1.4
93.07043	99.6
94.07362	2.6
95.04971	4.9
95.08605	45.8
96.08936	1.2
97.06536	5.3
97.10178	3.0
99.08096	4.3
105.04522	1.5
105.07030	59.3
106.07384	2.5
107.08591	61.0
108.08906	2.0
109.06543	4.0
109.10152	18.6
111.08078	3.4
113.09666	1.9
117.07024	13.5
119.08580	63.7
120.08939	1.7
121.06477	1.7
121.10140	48.9
122.10475	1.4
123.08092	1.9
123.11707	4.2
125.09608	1.6
129.05522	1.3
129.07001	11.2
131.08556	22.5
133.10126	52.1
134.10454	2.1
135.08069	3.9
135.10658	2.6
135.11690	47.2
136.12091	2.7
137.05963	7.4
137.09641	1.7
137.13322	1.5
142.07834	1.7
143.08571	8.0
145.10123	23.7
147.04381	1.8
147.08031	1.6
147.11682	56.3
148.12035	2.1
149.09618	4.0
149.13254	29.5
150.13593	2.3
151.11200	2.5
157.10123	10.3
159.11684	20.2
161.09624	3.3
161.13252	43.7
162.13625	2.9
163.11209	3.7
163.14810	11.6
165.09277	1.1
171.11676	14.1
172.12068	1.5
173.13245	12.4
175.11232	3.6
175.14810	22.0
175.16235	1.9
177.12759	4.8
177.16344	2.8
181.12372	1.5
185.13246	15.1
187.14842	4.8
189.12744	3.9
189.16486	1.7
191.14235	1.3
195.13759	1.6
199.14807	8.3
201.16394	1.7
203.14322	2.3
211.14928	1.6
213.16440	5.8
215.17909	2.6
217.15953	3.0
217.19536	5.2
224.58539	1.0
226.98488	1.2
231.17493	2.8
231.21016	8.3
235.16884	1.7
241.19493	42.8
242.19855	4.0
243.21211	1.6
259.20566	100.0
260.20850	6.5
277.18179	2.6
277.21603	17.7
302.54303	1.2
333.24271	9.7
334.24405	1.5
351.21472	5.0
351.25305	67.0
352.25708	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.7
53.91865	1.2
55.01864	4.3
55.05241	1.3
55.05511	23.9
57.03440	15.1
57.07067	4.8
65.03944	2.5
66.85593	1.2
67.05507	60.4
68.05840	2.2
69.03416	2.6
69.07068	20.0
69.95885	4.5
69.96227	1.3
71.04981	2.5
71.08634	58.2
79.05495	49.9
79.05833	1.1
79.17879	1.1
79.36938	1.1
81.03424	9.0
81.07056	53.9
82.07398	1.3
83.04980	14.3
83.08621	10.2
85.06518	2.9
91.05486	33.0
92.05825	1.6
93.07046	59.7
95.04974	13.2
95.08607	36.3
96.08929	1.9
96.14342	1.1
97.06532	10.5
97.10170	3.6
99.04409	1.5
99.05017	1.1
99.08092	39.9
105.04465	1.7
105.07027	23.0
107.04948	7.5
107.08599	29.0
109.06532	6.7
109.10157	16.6
111.08073	3.7
112.92787	1.1
113.09633	3.4
117.07027	6.6
119.08582	20.2
121.06521	1.6
121.10143	28.6
122.10417	1.3
123.08105	3.2
123.11707	2.3
125.09666	1.7
127.11160	1.8
129.07040	3.8
131.08559	6.0
133.06505	1.4
133.10126	16.8
135.08005	2.5
135.11691	33.2
136.12057	1.5
137.09647	8.0
141.09102	4.1
143.08572	4.0
145.10164	6.0
147.08044	1.2
147.11681	7.8
149.13246	12.5
151.11192	22.5
153.12697	2.7
157.10153	1.4
159.11731	5.2
161.09651	1.4
161.13248	18.3
163.11195	8.0
163.14835	2.9
165.12762	13.7
167.10719	3.0
170.43098	1.2
171.11755	3.8
173.13257	3.0
175.14803	1.9
177.12817	3.8
179.14311	100.0
180.14691	5.0
185.13268	2.3
189.12775	3.9
191.14287	1.4
195.13797	1.8
199.14841	2.4
203.14319	2.2
207.13776	1.4
221.15390	2.7
235.16985	4.7
241.19583	2.0
245.23885	1.2
259.20483	7.0
277.21616	36.8
277.24576	2.0
278.22009	1.7
289.21637	4.4
351.13370	1.4
351.25336	40.3
352.25571	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	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	2.3
53.03954	4.0
55.01866	6.7
55.05508	22.0
55.14038	2.3
57.03434	6.5
57.07066	4.7
64.02462	2.0
65.03929	3.7
67.05501	57.3
69.03415	2.4
69.07072	22.8
71.04976	5.3
71.08623	7.6
77.03942	2.2
79.05490	63.5
81.07056	67.1
83.04979	5.8
83.08626	7.6
85.06538	4.5
91.05479	57.1
92.05795	2.2
93.07037	80.4
95.04962	14.6
95.08606	42.0
97.06548	12.8
97.10161	3.3
99.08101	7.7
105.07027	64.2
106.07407	2.2
107.08592	48.8
107.09294	3.4
109.06510	35.7
109.10161	21.1
111.08105	3.5
117.07013	16.8
118.07342	2.1
119.08575	65.0
120.08922	2.4
121.06529	9.1
121.10136	30.8
123.08045	4.4
123.11711	4.3
125.09651	2.4
129.06992	9.6
131.08577	25.0
133.10123	57.9
135.08032	4.7
135.11693	32.7
137.09631	5.0
137.13254	2.6
143.08557	13.0
145.10109	21.5
147.11679	50.0
147.12758	3.5
149.09653	4.2
149.13263	20.6
151.11160	2.5
155.08583	2.8
157.10146	10.0
159.11678	20.3
161.09619	2.4
161.13269	34.3
162.13655	2.7
163.11221	7.3
163.14859	6.8
165.12747	33.9
171.11717	14.3
173.13249	12.2
175.11069	2.5
175.14786	20.6
177.12817	3.8
179.14305	3.5
183.11725	3.8
185.13275	15.6
187.14925	2.3
189.12782	3.6
191.14375	7.1
195.11761	2.6
199.14880	5.5
213.16510	4.7
217.19566	6.5
231.17509	3.8
231.21123	8.5
233.15425	2.4
241.19511	30.3
259.20563	89.9
260.21024	6.4
261.22113	4.0
277.21552	10.2
289.21606	33.5
295.19165	3.1
333.24210	4.4
351.25363	100.0
352.25781	8.8
360.98236	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.8
55.00828	2.8
55.01877	4.4
55.05509	27.7
57.03440	12.8
57.07081	7.4
65.03952	4.4
67.05500	64.9
68.05860	3.1
69.03425	3.6
69.07069	22.2
69.35954	16.1
71.04992	7.9
71.08636	10.6
79.05492	77.5
79.45333	2.3
81.03409	5.6
81.07055	76.3
83.04976	2.6
83.08619	10.6
85.06560	9.4
91.05481	66.2
93.07044	94.5
95.04973	11.4
95.08610	47.1
97.06536	8.5
97.10170	4.5
98.23371	3.6
99.08108	7.7
105.07024	67.3
106.07356	4.1
107.04939	4.5
107.08594	62.5
107.09295	4.6
108.08990	2.4
109.06509	4.8
109.10136	21.4
111.08129	4.5
115.05452	3.6
117.07008	15.0
119.08575	66.4
120.08907	3.6
121.10146	52.2
123.08080	5.6
125.09658	3.2
129.07011	7.6
131.08566	26.5
133.10121	55.4
134.10519	3.4
135.08064	3.8
135.11690	44.1
136.12044	2.9
137.09647	4.3
143.08562	12.4
145.10083	24.7
147.10498	3.7
147.11678	58.1
149.09575	5.3
149.13261	30.8
151.11198	4.1
157.10156	14.4
159.11717	20.9
161.09630	5.2
161.13260	39.4
162.13541	3.4
163.11223	5.6
163.14838	10.1
171.11707	18.2
172.12048	3.4
173.13210	16.5
175.11255	5.0
175.14841	24.6
177.12788	6.5
179.14403	4.4
185.13226	18.5
187.14824	6.9
189.12860	3.6
189.16383	3.6
199.14807	11.4
213.16457	6.1
217.19530	3.4
231.17430	5.3
231.21095	10.1
241.19504	36.9
259.20575	100.0
260.20889	7.4
277.21582	23.3
277.26901	2.6
333.24295	5.4
351.25479	53.5
352.25623	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	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.1
55.01881	2.2
55.05271	1.9
55.05513	23.2
57.03442	11.2
57.07067	3.4
65.03935	2.9
67.05505	69.0
68.05846	1.0
69.07069	23.1
71.04979	5.5
71.08634	12.6
72.31503	1.2
75.04484	2.5
77.03935	1.4
79.05495	80.9
80.05862	2.0
81.03421	7.0
81.07059	75.1
82.07388	1.4
83.04974	5.1
83.08614	12.5
84.75050	1.1
85.06552	4.5
85.59577	1.0
91.05485	63.4
92.05822	2.1
93.07046	100.0
94.07349	1.4
95.04975	11.9
95.08607	48.2
97.06533	6.6
97.10160	4.9
98.52432	1.1
98.92334	1.1
99.08087	10.3
101.06051	1.2
103.05464	1.6
105.04540	1.5
105.07034	54.0
106.07333	1.4
107.04965	3.7
107.08598	63.9
108.08942	2.2
109.06496	3.9
109.10155	20.9
111.08081	3.1
113.09629	3.7
115.05476	2.6
117.07011	15.5
119.08582	57.2
120.08884	2.1
121.06461	2.1
121.10148	42.9
122.10494	1.6
123.08065	2.3
123.11751	5.3
125.09646	4.8
128.06203	2.4
129.06987	8.9
131.08569	23.2
133.10130	47.8
134.10493	1.6
135.08038	2.4
135.11697	44.6
136.12067	2.1
137.09619	3.7
137.13293	1.3
142.07791	2.1
143.08577	10.8
145.10127	23.1
146.10428	1.4
147.11693	46.4
147.42276	1.1
148.12044	2.9
149.09642	3.7
149.13260	25.3
151.11153	7.7
157.10143	11.7
159.11687	18.7
161.09627	2.3
161.13264	42.9
162.13638	2.3
163.11188	5.1
163.14839	9.5
164.15179	1.1
165.12807	1.8
171.11674	17.0
173.13255	11.4
175.11128	2.1
175.14835	18.4
177.12819	5.0
177.16367	1.4
179.14302	15.3
180.14615	1.4
185.13266	14.3
187.14810	3.1
189.11241	2.2
189.12753	3.0
189.16510	1.8
191.14406	1.5
195.13809	2.0
196.12367	1.4
199.14845	8.5
203.14288	2.0
213.16312	5.6
215.17960	1.4
217.15974	2.2
217.19540	4.8
221.15344	2.1
231.17427	3.3
231.21028	9.1
235.16977	2.1
241.19524	29.7
242.19881	1.5
259.20581	86.0
260.20950	5.2
277.21585	26.4
333.24319	8.7
351.25314	55.6
352.25574	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	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.7
53.03936	5.0
55.01873	2.2
55.05510	19.4
57.03429	10.6
57.07075	2.9
59.16458	1.6
65.03935	2.0
67.05503	52.7
69.03445	1.8
69.07069	16.3
69.59226	9.2
71.04982	3.3
75.04479	1.8
79.05492	79.0
81.06584	3.7
81.07058	65.0
82.07405	1.9
83.04959	2.8
83.08633	8.6
85.06549	4.5
91.04897	2.7
91.05479	61.7
93.07042	100.0
94.07376	2.9
94.08945	1.8
95.04961	8.5
95.08603	44.8
97.06518	6.1
97.10194	3.3
98.22681	3.2
99.08089	5.0
103.05474	2.6
105.04541	3.3
105.07030	63.6
106.07383	1.8
107.08595	61.9
109.06519	9.3
109.10146	16.7
113.09653	1.8
117.07005	11.0
119.08584	61.1
121.06509	2.4
121.10143	48.3
123.08028	3.6
123.11703	5.2
129.06999	9.1
131.08560	25.8
133.10129	51.3
135.08047	3.1
135.11690	53.7
137.09660	4.9
142.07727	2.0
143.08546	9.2
145.10129	24.8
147.10506	3.0
147.11682	56.7
148.12024	4.2
149.09679	2.2
149.13258	30.2
150.13570	2.4
157.10095	10.8
159.11685	19.1
161.13252	40.1
163.11137	3.8
163.14836	10.4
165.12779	5.1
171.11736	12.8
172.12263	1.8
173.13214	11.7
175.11191	3.2
175.14816	19.6
177.12823	4.3
179.14395	2.9
185.13229	16.2
187.14844	3.9
189.12796	3.3
191.14458	2.2
199.14906	6.9
204.12761	2.2
213.16476	5.2
217.15965	3.1
217.19519	2.8
231.17482	2.8
231.21135	7.2
241.19507	34.6
251.18109	2.4
259.20566	93.0
260.21017	5.1
277.21597	15.2
289.21613	4.4
298.77615	1.8
333.24466	8.9
351.25354	69.6
352.25589	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01698	1.6
53.03949	4.3
55.01849	2.3
55.05513	21.2
57.03434	12.5
57.07067	4.6
59.04993	1.8
64.62471	1.5
65.03931	3.7
67.05505	62.9
69.07066	17.9
69.12328	6.7
69.12750	5.8
69.45135	1.7
71.04981	3.4
71.08646	3.0
77.03922	2.1
79.05496	78.7
81.06587	4.2
81.07056	67.7
82.07386	1.9
83.04973	2.5
83.08607	11.1
85.06534	5.4
91.05482	60.9
92.05795	1.7
93.07043	98.0
94.07380	2.0
95.04956	7.3
95.08609	49.1
97.06525	4.8
97.10172	2.6
99.08081	6.0
101.06054	2.5
105.07030	62.6
107.08595	61.4
108.08912	2.0
109.06532	3.6
109.10158	16.9
111.08138	1.9
111.77070	1.7
113.09625	2.0
117.07005	13.2
119.08578	66.3
121.06519	1.9
121.09303	3.6
121.10149	48.7
123.08054	3.1
123.11708	3.7
129.06998	8.2
131.08577	23.0
132.08958	1.9
133.10135	54.2
135.08051	3.0
135.11696	48.3
137.06013	8.8
137.09634	2.1
137.42619	1.7
143.08574	10.6
145.10114	24.2
147.04350	2.3
147.07930	2.3
147.11684	53.6
148.12004	2.5
149.09630	5.1
149.13264	30.3
151.11226	2.3
153.08899	1.8
157.10062	13.5
159.11699	19.4
161.09633	3.4
161.13264	41.2
162.13628	2.8
163.11191	5.4
163.14793	9.2
171.11713	15.6
173.13234	13.3
175.11243	2.9
175.14838	20.8
177.12775	4.3
179.14296	2.2
185.13264	17.8
187.14844	5.3
189.12715	4.0
199.14803	9.4
203.14343	2.9
207.13654	1.8
213.16405	5.2
215.18166	2.4
217.15891	3.0
217.19522	5.5
221.15451	2.4
231.17514	3.5
231.21083	7.7
241.19504	39.3
259.20563	100.0
260.20859	8.9
277.18045	5.1
277.21625	18.6
333.24265	7.5
351.21326	6.0
351.25299	59.5
352.25580	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	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01881	9.3
55.05515	14.1
56.80315	1.4
57.03425	3.1
57.07072	3.8
67.05508	23.8
67.19187	1.8
69.03413	2.5
69.07075	20.2
71.04997	2.6
71.08622	4.4
71.66734	1.4
72.19650	1.3
75.66301	1.4
79.05503	20.1
81.07059	26.8
83.04982	3.2
83.08616	3.3
85.06566	2.8
91.05478	12.2
93.07050	25.3
94.69193	1.4
95.04974	14.4
95.08611	24.5
97.06539	13.4
97.10210	2.6
98.23423	3.6
99.08110	4.1
105.07037	18.4
107.04921	1.7
107.08598	13.7
109.05782	3.2
109.06520	62.9
109.10170	6.5
110.06815	1.9
117.07029	5.1
119.08592	15.1
121.06523	11.3
121.10131	10.9
123.08088	5.7
123.11700	2.0
129.07004	2.1
131.08557	8.8
133.10124	9.9
135.08061	7.0
135.11696	4.1
137.09625	4.9
143.08557	3.6
145.10147	9.2
146.10393	1.7
147.11682	8.8
149.09624	3.1
149.13283	2.1
157.10115	4.6
159.08066	1.6
159.11719	5.9
161.13274	4.1
163.11224	9.6
165.12755	58.5
166.13062	2.4
169.10205	2.1
171.11783	1.7
173.13313	5.4
175.11272	2.6
175.14824	2.0
177.12709	2.2
179.14224	1.7
185.13280	1.6
187.14922	2.9
188.50110	1.5
191.14293	7.4
205.15970	2.0
221.15376	3.5
229.14359	2.5
233.15398	3.5
237.18570	1.4
241.19577	2.2
243.20967	1.5
259.20508	3.5
261.22028	6.9
271.20670	1.8
289.21634	66.0
290.22116	5.2
295.19092	9.0
307.23019	1.9
333.24359	2.0
351.25372	100.0
352.25735	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.1
55.01881	3.2
55.05511	18.9
57.03436	14.5
57.07068	5.1
59.04999	1.6
65.03947	1.7
67.05505	57.4
68.05860	0.8
69.03432	1.1
69.07067	18.1
71.05006	4.0
71.08632	59.7
72.08971	0.8
73.12140	0.7
79.05494	47.6
81.03410	7.5
81.07056	57.7
82.07367	1.5
83.04980	10.2
83.08611	10.0
85.06561	4.2
91.05480	31.9
93.07043	65.0
94.07377	1.1
95.04971	13.7
95.08605	38.6
96.08935	1.1
97.06540	9.2
97.10159	3.8
98.23393	1.4
99.08091	39.5
101.05993	1.5
105.04497	1.0
105.07030	21.6
106.07332	0.9
107.04938	6.8
107.08595	32.2
108.08952	1.2
109.06503	4.5
109.10156	14.6
111.08099	3.4
113.09631	3.6
117.07009	5.1
119.08573	20.1
121.06522	1.5
121.10145	28.2
121.11030	1.6
122.10455	1.0
123.08084	2.6
123.11717	3.6
125.05985	1.1
125.09626	1.6
127.11185	1.9
129.07024	3.0
130.07748	1.0
131.08556	5.8
133.10121	13.1
135.08066	1.9
135.11691	31.8
136.12029	1.2
137.09622	4.2
137.13287	1.3
139.11185	1.5
141.09093	2.9
142.07790	0.9
143.08530	2.7
145.10155	5.1
147.08028	1.1
147.11687	6.4
149.09636	1.0
149.13252	12.1
151.11180	20.9
153.12743	3.1
157.10159	2.6
159.11716	5.1
161.09615	1.3
161.13260	15.5
163.11165	7.0
163.14842	2.5
165.12799	3.2
167.10696	2.6
171.11707	3.9
173.13200	1.2
175.14824	2.4
177.12733	3.8
179.14308	100.0
180.14685	5.1
181.12155	1.0
185.13290	3.4
187.14969	0.8
189.12762	2.8
195.13922	1.9
199.14888	3.0
202.32674	0.9
207.13678	1.2
221.15344	3.6
224.81644	0.8
231.21080	0.9
235.16905	7.2
241.19583	1.9
259.20560	7.1
277.21625	34.1
278.21921	1.5
332.14755	0.8
351.21542	1.4
351.25391	25.5
352.25760	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.7
55.05511	25.0
57.07055	8.0
67.05507	43.0
67.74529	4.9
69.03423	7.1
69.07071	57.4
70.43464	10.4
70.43826	9.4
71.04993	11.4
71.08666	6.4
72.97716	4.8
79.05492	30.8
81.07061	65.9
83.08614	12.8
88.44192	4.9
91.05479	52.0
93.07050	64.2
95.04956	25.1
95.08611	52.9
97.06538	16.8
97.10177	5.1
105.07037	95.1
107.08592	50.2
109.06522	12.3
109.10151	60.6
117.07027	15.7
119.08585	100.0
121.06511	7.3
121.10139	46.8
123.08047	8.0
123.11708	16.7
127.93850	5.2
129.06975	11.0
131.08580	44.9
133.10132	46.1
135.08044	11.7
135.11697	18.3
137.13264	11.4
142.07793	13.5
143.08557	28.3
145.10121	50.9
147.11697	33.5
148.78696	4.7
149.09627	15.2
149.13197	8.5
155.08540	11.2
157.10129	50.2
159.08124	6.3
159.11684	32.8
161.09619	43.7
161.13341	7.8
169.10112	10.6
171.11700	23.3
173.13298	14.0
175.11217	7.5
175.14874	12.0
175.89905	5.3
177.16512	8.3
179.08505	4.5
181.10211	5.3
183.11684	14.8
185.13264	15.2
194.10942	6.1
197.13261	8.0
199.14894	10.7
203.17920	8.2
208.16895	5.9
209.13336	12.7
211.14810	10.0
239.17888	6.3
245.47041	5.1
255.21063	8.5
351.26767	23.6
353.38751	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	352.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73220	3.1
53.03931	7.3
54.25425	2.3
55.01863	5.9
55.05509	4.7
57.03432	7.8
57.07051	3.3
61.02910	4.9
67.05497	7.8
69.03434	46.5
69.07067	25.5
69.57892	11.9
71.04991	22.5
72.47185	2.5
73.02922	7.4
77.81425	2.6
79.05504	6.0
81.03416	30.1
81.07063	11.3
83.04999	5.0
85.02909	100.0
85.03433	4.7
85.06538	3.2
87.00819	41.3
90.06327	2.5
91.05473	6.5
93.07047	9.2
95.04978	13.4
95.08597	16.1
97.02895	34.1
97.06517	3.0
97.10181	3.4
98.23312	5.8
99.04441	14.1
99.08106	3.5
105.01866	60.5
105.07020	8.3
107.04985	2.8
107.08598	7.0
109.02873	22.7
109.06506	8.0
109.10120	4.1
111.04464	3.5
111.08055	4.1
113.06017	25.4
113.09638	9.3
119.08550	4.1
121.06519	3.7
121.10181	6.3
123.04440	9.0
123.08078	4.5
123.11759	3.3
126.06682	13.4
127.03916	61.9
127.07610	6.4
131.08559	7.1
132.70692	2.4
133.10139	4.9
135.08031	9.6
141.05469	22.6
145.04961	39.5
145.10072	3.1
147.02936	4.0
147.11642	3.6
149.09569	3.3
151.07452	4.2
153.09132	4.9
155.07027	9.5
159.02899	12.4
159.06485	7.1
162.06607	4.3
164.08331	2.9
165.09111	3.1
167.14073	2.8
173.08116	5.9
173.13242	5.8
177.09160	4.3
189.03896	4.9
191.14316	30.0
195.10213	3.7
220.09454	10.7
228.55164	3.0
231.04953	14.4
248.09099	4.6
249.06104	3.8
316.16528	4.9
334.17609	7.6
352.18259	6.3
353.15820	6.4
353.19675	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	352.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.9
55.01879	5.7
57.03438	4.8
61.02921	7.6
67.01881	2.5
67.05508	3.6
68.99801	3.0
69.03426	29.2
69.06689	3.4
69.07068	67.6
70.07398	2.0
70.75558	1.9
71.04998	4.8
71.80801	1.9
73.02927	4.4
76.53308	1.8
79.05505	5.5
81.03411	22.5
81.07059	4.8
85.02903	67.0
86.09717	4.2
87.00823	34.1
91.05485	3.1
93.07091	3.1
95.04952	2.8
95.08592	2.4
97.02889	45.0
99.04430	10.7
100.13914	2.1
104.04962	2.1
105.01865	58.9
105.07026	3.2
106.06562	17.4
107.08551	2.4
108.04476	3.1
109.02880	19.2
109.06512	3.6
117.01876	1.9
124.07671	2.0
127.03916	62.8
128.04256	2.3
129.01833	3.3
131.08549	2.2
133.10101	2.0
143.07358	2.7
144.08122	7.2
145.02998	2.0
145.04955	43.0
145.06691	2.2
150.09128	4.8
155.10678	2.5
159.02913	8.9
162.05435	2.4
163.03865	4.9
172.07558	100.0
173.07999	5.4
189.03899	3.7
190.05000	3.0
190.08681	5.7
213.03914	2.3
231.05022	21.1
249.06111	7.1
352.19815	3.6
353.11816	2.0
353.15817	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	352.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	25.4
67.05502	22.8
69.07057	28.9
70.42992	22.5
70.43342	48.1
79.05492	37.5
81.03405	42.7
81.07073	35.0
83.04969	22.5
91.05482	24.2
92.33406	19.0
93.06477	23.7
93.07024	37.7
97.06535	66.5
99.08101	51.6
132.76050	21.9
133.10202	19.9
257.08102	34.0
285.40128	23.9
353.13687	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23646	2.5
55.05510	6.8
57.03437	2.4
57.07080	34.0
67.05492	13.3
69.07068	7.5
71.08630	33.6
71.28456	3.5
79.05521	6.8
81.03420	3.8
81.07067	12.9
83.08614	4.7
85.10182	25.3
89.06036	100.0
90.06400	2.7
91.05450	5.4
93.07053	7.8
95.08615	13.5
97.06544	3.8
97.10168	3.5
99.11743	3.5
105.07044	5.1
107.07031	4.8
107.08614	8.5
109.06513	2.9
109.10163	7.7
119.08593	3.2
121.10146	7.9
131.08560	4.2
133.08611	29.7
133.10165	4.3
135.11649	4.3
145.10152	3.6
151.09666	4.6
165.12756	3.7
169.15961	2.8
177.11244	9.2
183.13803	8.5
188.00760	3.2
195.12282	35.1
195.13870	4.3
196.12686	3.7
229.21667	3.3
251.23718	5.4
261.22122	3.3
279.23090	3.1
281.72507	2.9
285.51416	3.0
286.18167	2.7
334.27460	4.3
335.27887	22.9
336.28369	3.9
352.32056	3.6
353.24451	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	353.0847
Annotation	7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
Peak:m/z	Relative Intensity
69.03416	7.6
78.25220	2.0
79.53806	2.2
85.02911	13.0
87.62812	2.5
97.02884	6.2
99.04398	2.4
127.03918	9.4
131.08231	2.1
143.01945	8.0
145.04956	3.1
155.01859	2.6
161.03020	5.4
173.03003	2.3
174.04459	2.3
185.03032	3.2
203.03978	3.0
208.99637	2.2
212.62923	2.1
245.05141	10.3
263.06110	4.3
275.99023	2.3
322.28760	2.1
353.08432	100.0
354.08694	5.1
365.09384	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	353.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.01862	1.4
55.05510	2.3
57.03422	0.7
63.15667	0.4
65.30815	0.5
65.31148	0.4
67.05502	1.7
69.03432	7.0
69.07048	0.9
69.23307	3.3
71.04996	1.0
79.05487	2.0
81.03422	8.5
81.07068	2.3
83.01336	0.8
83.04990	2.7
83.08616	0.8
85.02918	1.0
91.05473	1.7
93.07050	2.6
95.04964	1.0
95.08614	1.2
97.02878	1.4
99.04462	1.7
105.07021	1.4
107.04954	1.6
107.08598	1.1
108.08106	0.6
109.02866	3.3
109.06538	1.3
109.10156	0.9
111.08118	0.6
113.05994	0.5
117.07013	0.6
119.08597	1.3
121.10160	1.1
122.06013	0.8
123.08056	0.7
127.03925	2.4
131.08580	0.7
133.10103	0.6
135.11679	1.3
136.07526	0.7
145.10112	1.6
147.11589	0.4
153.12810	0.9
163.11160	3.3
164.07095	2.1
173.09508	1.0
175.10938	11.9
176.11407	0.5
181.12204	0.9
191.10593	0.8
201.03708	26.8
202.04092	0.5
203.05283	2.1
209.11739	1.1
223.47946	0.5
227.12781	0.9
292.86121	0.4
294.91025	0.4
322.35483	0.5
353.15714	100.0
354.16083	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	353.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.2
55.01876	3.4
55.05506	10.0
57.03428	7.7
57.07066	3.1
61.02910	4.5
67.05499	9.6
69.03423	33.3
69.07071	18.0
71.04990	9.6
73.02923	5.4
77.26912	2.3
79.05497	15.9
81.03407	11.0
81.07048	19.7
83.04967	11.0
83.08612	9.5
85.02901	46.5
85.06590	2.5
87.04475	3.6
91.05458	17.4
93.07054	18.6
95.04974	8.7
95.08628	11.8
97.02892	11.9
97.06528	6.0
99.04438	8.8
105.07024	38.6
107.04959	4.6
107.08585	43.5
109.02878	5.9
109.06488	10.4
109.10150	6.6
111.04423	3.2
111.08065	3.8
114.87464	2.5
115.03918	2.8
117.07030	10.3
119.08569	36.2
121.06483	11.6
121.10143	64.3
122.10530	3.8
123.08036	7.2
123.11712	4.7
125.09615	6.3
127.03918	10.8
129.06979	4.8
131.08563	43.2
133.10130	30.8
135.08044	19.5
135.11682	28.8
137.05905	3.1
137.09633	2.9
142.07747	3.6
143.08549	9.3
144.09351	3.4
145.04955	4.9
145.10112	20.9
147.11670	21.3
149.09630	11.6
149.13264	22.2
153.09085	6.4
157.10106	8.0
158.10887	6.5
159.11722	14.0
161.09637	4.5
161.13295	5.5
163.03819	3.4
163.11128	2.8
163.14844	22.6
167.14346	4.5
171.11717	8.9
173.13251	53.1
174.13632	3.3
175.14821	26.6
183.11749	3.3
187.11171	2.8
189.12766	3.4
191.14297	100.0
192.14651	5.6
195.10201	5.1
201.12785	5.2
209.15381	9.2
215.14339	4.6
233.15344	3.0
291.15811	5.8
335.18512	5.0
348.29678	2.7
353.12073	2.6
353.19812	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	353.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49483	0.7
53.03929	1.5
55.01868	0.9
55.05506	1.2
57.03438	1.5
59.24179	0.7
67.05483	2.1
69.03088	1.1
69.03427	16.1
69.06718	0.7
69.07064	13.2
69.81003	1.6
69.81399	1.7
71.01333	1.0
71.04983	1.5
72.34157	0.8
73.02888	1.2
77.13678	0.8
79.05484	2.9
81.03414	2.9
81.07052	4.4
83.04973	2.8
83.08640	0.8
85.02904	15.5
85.06523	1.4
86.16030	0.7
87.04466	1.5
91.05474	3.6
93.07027	3.6
95.04958	1.1
95.08588	5.8
97.02876	3.0
105.07011	2.8
107.08591	10.5
109.02907	0.9
109.06540	3.9
109.07169	0.7
111.08065	6.0
119.08583	6.0
121.06504	1.9
121.10123	6.9
123.08053	5.1
127.03894	3.2
131.08542	8.2
133.10130	7.4
135.08054	15.6
135.11694	3.1
137.09560	0.8
143.08553	1.2
145.04778	0.8
145.10115	2.8
147.11661	3.0
149.09627	5.0
149.13245	1.5
158.10901	3.4
161.09721	0.9
162.10439	0.8
163.11205	1.0
163.14825	3.3
173.13255	18.2
174.13554	1.3
175.14839	1.2
191.14297	100.0
192.14612	6.2
200.46138	0.8
231.27556	0.8
231.29846	0.9
284.98169	0.7
353.19672	9.2
354.19717	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	2.1
55.01865	3.4
55.05511	6.6
57.03447	1.7
57.07066	3.2
67.05515	11.0
69.03419	4.6
69.07070	9.3
69.58996	7.2
71.04990	26.0
79.05493	9.5
81.03394	3.7
81.07067	18.5
83.04956	1.9
83.08629	3.3
85.06534	7.3
91.05483	18.6
93.07041	22.3
95.04970	47.7
95.08610	17.1
97.06522	5.8
97.10188	1.6
99.08073	2.0
103.05463	1.5
105.07030	35.0
107.04986	1.5
107.07867	1.8
107.08596	33.2
109.06523	15.5
109.10156	12.3
111.08082	3.0
115.05451	3.4
116.06281	2.1
117.07012	6.2
119.08586	37.7
121.06501	3.7
121.10141	20.0
123.08074	10.2
123.11677	11.9
125.09605	2.6
127.72028	1.4
128.06232	8.8
129.07018	5.3
130.07770	2.1
131.08572	20.3
133.10133	32.3
133.11072	2.7
135.08049	18.7
135.11691	26.7
137.09602	6.4
141.07021	3.7
142.07788	6.8
143.08543	20.3
145.10121	19.5
147.08058	9.1
147.11694	9.4
149.06024	2.6
149.09619	11.1
151.11183	2.7
153.07071	1.9
154.07773	1.7
155.08524	7.4
156.09293	5.0
157.10138	22.6
158.10631	1.5
159.08055	8.7
159.11687	15.4
161.09625	39.0
161.13264	8.2
163.07553	2.4
163.11183	7.3
165.07024	3.3
165.12794	2.1
167.08531	3.5
168.09317	3.2
169.10095	14.5
170.10863	4.9
171.11668	18.8
173.09662	6.3
173.13277	12.5
175.11186	7.2
175.14809	4.1
177.12737	1.7
179.07152	1.7
179.08543	2.7
180.09354	2.5
181.10109	7.0
182.10939	3.3
183.11676	11.8
184.12288	1.4
185.09691	3.0
185.13254	9.5
187.11166	8.3
187.14812	10.5
189.12787	4.7
189.16370	4.5
191.14284	3.1
193.10112	4.4
194.10896	2.4
195.11693	11.0
195.13254	1.9
196.12375	1.8
197.13252	13.7
199.11147	3.2
199.14883	2.6
201.12727	6.9
203.14278	4.0
205.15877	4.8
206.10921	2.6
207.11700	5.2
208.12462	1.7
209.13295	13.9
210.13936	3.1
211.11162	2.4
211.14830	6.3
213.12804	9.5
213.16362	5.4
215.14304	8.2
217.12141	1.6
217.15938	3.1
221.13269	6.1
222.13902	3.6
223.14873	7.4
225.12773	2.9
225.16269	6.5
227.14311	4.5
227.17947	2.6
229.15990	2.1
231.13904	3.4
235.14819	4.8
237.16377	7.3
239.14502	1.9
239.17783	2.6
241.15970	4.9
249.16431	1.7
251.18057	3.9
253.15919	1.6
253.19467	4.0
253.29286	1.6
253.47745	1.3
255.17426	2.2
257.19009	2.6
261.16464	1.5
263.18018	1.7
265.16071	2.6
265.19513	8.5
269.19040	3.4
271.20581	4.0
277.19543	9.5
279.17432	4.8
283.20477	8.3
291.21112	2.7
293.19232	2.6
293.22702	6.2
295.20590	17.5
309.22055	2.0
311.23721	6.1
317.22763	3.1
335.23685	27.7
336.24036	1.9
353.24747	100.0
354.24979	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	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.11921	0.6
52.30308	0.5
53.03949	2.4
54.90507	0.5
55.01891	0.6
55.05515	14.0
55.25204	0.5
57.03439	5.9
57.07071	5.6
65.03941	3.1
67.05505	93.6
67.73551	0.7
68.05837	0.8
69.07072	13.9
70.30027	0.6
71.04996	1.9
71.08626	1.2
75.04483	1.3
77.03925	0.8
77.54370	0.6
78.54007	0.6
79.05493	43.0
80.05836	0.7
81.03446	0.9
81.07057	100.0
82.07395	2.1
83.04967	1.2
83.08618	6.6
85.06539	2.3
91.05482	21.0
93.07044	54.2
94.07368	2.0
95.04964	2.6
95.08607	72.2
96.08935	3.1
97.06529	3.5
97.10155	2.6
99.08099	2.1
101.23074	0.7
103.05454	0.7
105.07034	16.9
107.08594	36.0
108.08950	1.6
109.06503	1.4
109.10155	36.4
110.10477	1.5
111.08070	1.9
113.09620	1.3
117.07009	9.9
119.08580	13.2
121.10146	28.4
123.08038	1.7
123.11709	18.7
125.09605	1.1
129.07021	0.9
131.08568	18.2
132.08853	1.1
133.10126	12.3
134.10500	0.8
135.04939	0.6
135.11694	23.3
136.12027	1.3
137.09570	1.1
137.13260	6.9
139.11180	1.1
143.08519	1.1
145.10129	14.5
147.11697	8.1
149.09608	1.3
149.13254	17.4
150.13622	0.7
151.11084	0.8
151.14818	1.9
153.12703	1.0
159.11691	12.3
160.12064	0.7
161.13249	7.6
163.11208	0.7
163.14827	10.3
165.12762	1.8
165.16309	0.8
173.13261	16.0
174.13611	0.6
175.14830	2.7
177.12704	0.9
177.16376	3.6
179.14308	1.2
186.69420	0.6
187.13264	0.9
187.14821	8.5
188.15121	0.6
189.16499	0.8
191.14342	0.8
192.03078	0.7
201.16365	2.2
205.15842	1.0
219.17433	0.9
233.22647	4.3
243.21083	16.2
243.23509	1.0
244.21489	1.2
261.22141	71.9
262.22452	4.9
272.44135	0.6
279.23059	5.2
335.25757	6.9
336.25909	1.1
353.26849	16.5
354.26889	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.0
55.05510	16.0
57.03432	4.2
57.07068	4.2
61.89921	0.9
64.28532	1.1
65.03938	3.6
67.05504	98.0
68.05824	2.1
69.07074	14.5
71.04987	2.5
75.04457	1.5
79.05492	50.4
79.07307	1.1
80.05828	1.4
81.07056	100.0
82.07382	1.5
83.05015	1.5
83.08625	8.8
85.06534	1.5
91.05476	24.9
93.07043	63.7
94.07344	2.0
95.04981	2.4
95.08602	70.5
96.08939	2.8
97.06528	5.4
97.10151	3.0
98.23350	2.8
99.08089	1.7
100.91123	0.9
105.07028	21.5
107.08589	44.9
108.08939	1.3
109.06520	2.7
109.10158	35.3
110.27966	1.1
113.09672	1.0
117.07013	10.6
119.08584	17.6
121.10143	35.8
122.10517	1.1
123.11699	18.7
125.09560	1.2
129.06985	1.4
130.07768	1.1
131.08572	21.6
133.10127	13.1
135.11696	28.8
136.12041	1.3
137.09677	1.4
137.13245	7.5
144.09294	1.3
145.10115	14.1
147.10622	1.1
147.11700	11.8
149.09660	1.1
149.13252	18.2
149.32210	0.9
150.13564	1.3
151.11127	1.1
151.14830	1.5
153.12781	1.4
157.10190	1.0
159.11685	17.0
161.13274	10.0
163.11119	1.1
163.14824	12.3
165.12796	1.5
173.13272	16.1
174.13525	1.5
175.14845	3.2
177.16402	3.7
177.17873	1.0
179.14268	1.4
187.14818	8.2
188.58711	1.1
190.01526	0.9
201.16402	2.9
222.53951	1.0
233.22653	4.3
234.22791	1.3
243.21071	17.5
244.21387	1.1
261.22131	81.7
262.22485	6.6
279.23206	2.6
335.25885	5.6
353.26889	20.1
354.26974	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03950	2.9
55.01886	1.1
55.05515	15.6
55.25222	0.6
57.03443	7.0
57.07075	5.7
58.25018	0.5
65.03941	2.9
67.05505	95.5
68.05846	1.3
69.05882	5.3
69.06288	1.1
69.07066	13.1
71.04992	2.3
71.08634	1.6
71.24350	0.8
75.04478	2.0
77.03903	0.6
77.54037	0.6
79.05493	46.9
80.05824	1.1
81.07056	100.0
82.07397	2.7
83.04984	1.2
83.08630	6.7
85.06551	2.5
91.04902	1.0
91.05479	20.3
93.07043	52.8
94.07401	1.9
94.84511	0.6
95.04975	2.7
95.08607	72.3
96.08960	1.8
97.06544	2.8
97.10167	2.8
98.23375	1.2
99.08086	1.7
105.04512	1.2
105.07034	15.3
107.08595	37.8
108.08937	0.8
109.06511	1.5
109.10158	39.2
110.10489	1.7
111.08084	1.9
111.11722	1.1
113.09618	1.4
115.05434	0.8
117.07018	8.1
119.08586	14.6
121.10146	27.4
121.11023	1.6
122.10519	1.0
123.08097	1.4
123.10808	1.1
123.11705	22.8
124.12054	1.2
125.09591	1.1
129.07022	1.0
130.07813	0.9
131.08562	18.6
132.08893	0.8
133.10123	11.6
135.11696	24.7
136.12042	1.4
137.09612	0.9
137.13257	6.9
139.11165	1.4
145.10120	13.0
147.11688	10.8
149.13257	16.7
151.14824	2.6
153.12735	1.8
159.11697	13.9
160.54657	0.7
161.13245	7.7
163.11134	1.0
163.14835	10.3
165.12776	2.2
173.11818	0.6
173.13249	13.7
175.14809	2.7
177.12762	1.0
177.16345	4.3
187.14827	9.0
189.16426	1.1
191.14331	1.2
201.16344	2.5
205.15851	1.5
209.15311	0.7
219.17381	1.1
233.22653	3.8
243.21082	17.7
244.21312	1.3
261.22137	82.2
262.22430	5.6
279.23169	6.6
317.24564	0.8
335.25772	8.1
353.26801	16.2
354.26926	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
55.01872	1.6
55.05511	16.9
57.03434	4.6
57.07069	4.8
65.03947	3.5
67.05509	94.2
68.05853	1.6
69.07068	14.5
70.12828	1.5
71.04953	2.0
71.08615	3.0
71.59614	1.8
76.42661	1.5
79.05495	51.6
81.07059	98.3
82.07394	2.0
82.75428	1.7
83.04979	1.6
83.08610	6.5
85.06582	2.6
91.05487	24.4
93.07050	67.0
94.07398	1.8
95.04967	3.8
95.08609	65.8
97.06528	2.6
97.10180	2.8
99.08118	5.3
105.04539	1.6
105.07040	17.0
107.08598	40.3
109.06541	2.5
109.10161	35.4
111.08078	2.0
117.07018	9.0
119.08582	16.5
121.10146	29.4
123.11728	20.1
131.08565	18.8
133.10133	14.9
135.11705	27.4
137.09711	2.4
137.13226	10.2
145.10135	18.1
147.11707	12.3
149.13245	22.3
151.14876	1.9
159.11729	12.9
161.13251	9.6
163.14806	12.4
164.42297	1.7
173.13266	19.5
175.14803	3.2
177.16365	3.7
187.14832	7.4
201.16354	3.6
213.22835	1.7
233.22687	5.2
243.21083	18.6
261.22137	100.0
262.22467	5.9
279.23276	2.7
286.87204	1.9
291.23209	2.7
335.25766	5.8
336.29114	4.2
353.26895	31.6
354.27145	3.3
354.33444	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	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.89062	1.8
53.03943	3.5
55.01871	3.1
55.05512	18.3
57.03431	6.1
57.07064	6.6
59.01350	1.6
62.50166	1.5
65.03923	1.7
67.05505	87.4
69.07072	19.5
69.69636	8.1
70.06627	1.7
71.05000	4.0
71.08639	4.1
75.04431	1.7
77.03931	1.9
79.05491	50.8
80.36878	1.5
81.03408	2.9
81.07055	100.0
82.07410	2.3
82.91450	1.6
83.05004	1.8
83.08620	10.6
85.06546	6.1
85.10179	3.0
88.07614	3.3
91.05471	25.7
93.07043	66.6
94.07377	2.2
95.04956	4.7
95.08607	76.5
96.08961	3.1
97.06531	25.5
97.10171	4.7
99.08112	4.7
105.07038	22.1
107.08593	35.4
108.08926	2.1
109.06530	2.2
109.09442	3.0
109.10149	26.9
111.08083	3.0
111.11681	1.9
113.09631	2.0
117.06992	9.6
119.08585	16.2
121.10139	29.8
123.08061	2.3
123.11716	13.9
125.09691	1.8
131.08571	24.3
133.10110	12.2
135.11694	25.5
137.13231	6.4
143.08519	1.8
145.10130	16.0
147.11687	10.1
149.13272	20.2
151.14838	3.1
153.12735	2.8
159.11658	11.8
161.13258	9.0
163.14825	14.4
171.11635	1.5
173.13239	15.2
175.14832	2.1
177.16417	6.0
187.14801	10.9
191.14256	2.6
201.08983	2.6
201.16328	3.8
205.15900	2.7
228.11412	2.3
233.22682	6.5
243.21088	27.8
253.15845	2.9
257.15430	6.6
261.22131	73.7
262.22562	3.8
279.23123	2.4
309.18756	2.4
335.25824	2.3
353.21179	16.3
353.26929	19.6
354.27365	2.2
354.33670	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	354.116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85878	0.5
55.01876	0.8
56.96555	0.7
57.03424	1.1
67.05502	1.4
67.62553	0.6
69.03400	0.7
69.13192	5.7
71.04981	1.5
73.02916	1.2
80.05013	2.0
81.03446	0.6
83.04979	0.8
85.02882	1.1
85.06524	1.8
91.05840	1.3
93.07020	0.8
95.04964	1.2
96.08128	2.4
97.06520	1.1
101.02380	4.2
101.06011	1.4
104.92145	0.9
107.07307	0.8
108.08111	2.6
111.08040	0.8
113.05222	1.3
113.06008	26.8
124.07580	13.6
131.07031	7.1
139.07521	2.5
148.07332	0.6
151.98293	0.7
152.07065	44.7
153.07405	1.1
157.08565	3.3
159.09953	0.8
174.05269	88.4
175.05585	2.8
175.09630	1.0
192.06383	0.9
193.04866	0.7
203.05232	7.8
259.43521	0.6
280.06143	0.7
285.01089	1.0
310.12668	1.8
323.09833	0.7
354.11600	100.0
355.11938	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	354.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.7
57.03431	2.5
69.13291	12.0
70.74677	2.0
71.05001	5.5
73.02911	3.2
78.25833	2.4
82.89938	2.1
84.94540	1.9
85.02905	3.8
85.06550	3.8
95.04955	6.5
95.94970	2.0
101.02376	18.3
113.06013	100.0
131.07037	36.2
139.07562	6.2
157.08583	8.2
163.03951	3.0
175.09651	4.4
193.04959	2.2
218.24153	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	354.3365
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
55.05514	10.4
57.07081	13.9
58.02956	2.3
58.06598	18.1
60.04515	3.4
62.40048	1.8
64.63589	1.7
67.05500	6.9
69.07066	19.2
70.02946	6.1
70.06585	8.0
70.61031	3.7
71.04980	2.1
71.08640	8.6
74.06081	3.3
81.07054	18.3
82.31282	1.7
83.04976	2.4
83.08615	15.7
84.08133	7.2
85.10184	3.9
86.06059	4.9
91.05811	3.0
93.07069	2.1
93.73832	1.6
95.08614	17.9
97.10180	9.2
107.08619	2.5
107.92622	1.6
109.10144	9.3
111.11718	6.1
112.07629	2.2
123.11698	5.6
204.29968	1.7
223.34979	1.7
256.17795	1.7
294.31668	3.6
306.31564	4.3
307.29828	2.3
308.33124	3.9
326.34210	6.4
336.32581	17.6
353.66809	1.9
354.33667	100.0
355.07111	2.1
355.33862	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	354.9405
Annotation	Unknow
Peak:m/z	Relative Intensity
67.62802	9.5
71.10770	12.1
98.97587	17.6
99.33710	8.4
112.02312	7.9
116.98622	13.1
141.51089	9.0
153.75760	9.0
171.83565	8.9
180.97861	62.2
196.91832	23.8
198.98901	100.0
210.88873	11.8
228.90080	16.4
246.91127	22.1
290.94522	12.4
344.87717	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	355.1725
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
50.66772	0.5
55.05507	1.0
57.03465	0.6
64.71809	0.6
67.05498	1.0
68.26445	0.5
69.07069	0.8
69.93571	0.5
79.05502	1.7
81.03408	0.7
81.07052	1.4
83.04996	1.2
83.08590	0.9
85.02917	0.7
91.05453	1.5
93.07030	0.7
99.08086	1.1
105.06993	1.4
107.04928	0.9
107.08620	0.9
109.06487	0.6
119.08617	0.6
119.48125	0.6
147.08041	0.7
175.07504	0.7
182.15427	1.0
201.03702	36.9
202.04056	1.0
203.05280	5.2
210.14905	2.0
291.13235	0.9
337.21249	0.9
355.17255	100.0
356.17596	7.6
366.64517	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92652	0.6
54.57441	0.6
58.06603	0.6
67.05494	0.9
69.04136	5.7
79.05475	0.9
80.05019	1.4
81.07038	1.0
82.37974	0.6
91.05448	1.1
93.07046	1.1
95.04983	0.7
95.08580	1.4
97.06519	0.7
105.06998	1.1
107.04942	1.0
111.88161	0.6
121.10201	1.0
124.07194	0.6
137.05956	0.9
139.11151	1.0
144.78192	0.6
145.10146	0.8
152.10629	0.8
153.09041	0.7
161.09544	0.8
165.13928	0.6
165.96095	0.6
177.12495	0.8
180.10168	5.9
201.03699	51.6
202.03938	0.8
203.05254	15.6
203.07005	1.3
208.13239	0.7
219.04771	0.8
246.14900	0.8
264.16049	1.4
355.17252	100.0
356.17612	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	355.173
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
53.03952	0.3
55.01872	0.7
55.05506	0.7
57.03430	0.4
61.66491	0.2
66.99667	0.2
67.05505	1.8
69.03449	0.5
69.07095	1.1
71.01336	0.5
71.29683	0.3
79.05502	1.7
81.03421	1.9
81.07065	1.5
83.05000	1.0
83.08637	0.4
85.02917	0.7
85.06570	0.3
91.05432	1.1
93.07063	0.9
94.02934	1.3
95.04993	1.5
95.08610	1.6
97.06535	2.7
99.04476	0.3
103.05424	0.4
105.07047	1.1
106.84325	0.2
107.04980	0.4
107.08620	0.5
109.02886	0.7
109.06547	0.3
109.10178	0.6
111.08091	0.4
115.05463	0.3
117.07018	0.4
119.08592	0.7
120.08103	0.2
121.06501	0.5
121.10058	0.5
123.04456	0.8
123.08082	0.6
123.11720	0.2
127.03934	0.3
129.07031	0.4
130.06517	0.2
131.08588	0.5
133.06490	0.3
133.10168	0.5
137.05986	0.6
141.09138	0.4
145.10184	0.6
146.06015	0.4
147.04414	0.6
147.08063	0.5
147.11729	0.6
149.09668	0.4
151.07530	0.2
155.08612	0.3
157.06551	0.5
157.10138	0.4
158.95168	0.2
161.05978	0.3
163.11139	0.3
165.07051	0.3
167.08618	0.4
173.06042	0.4
173.09727	0.3
175.11133	0.3
179.08504	0.2
181.06551	0.4
182.31976	0.2
183.08104	0.3
184.08806	0.2
185.05963	0.4
185.09671	0.6
187.07481	0.3
191.10577	0.2
193.10326	0.2
193.12111	1.0
195.07996	0.4
197.06027	0.7
199.07555	0.3
201.05499	0.9
203.05258	3.1
203.07004	0.3
205.06609	0.2
209.09703	0.4
211.07539	0.4
211.11200	0.3
212.08405	0.8
213.05481	0.7
213.09142	0.5
213.12823	0.3
215.07115	0.3
221.09845	0.2
223.07530	0.2
223.11217	0.6
225.09090	0.3
227.10588	0.2
231.06584	0.3
231.47285	0.2
235.07695	0.3
235.13361	0.9
236.08357	0.3
237.09160	0.3
239.10687	0.3
241.08557	0.3
241.12215	2.1
253.08560	0.3
253.12309	0.3
265.12332	0.3
267.10257	0.3
267.13846	0.5
269.11807	0.5
283.13177	0.3
293.11716	0.3
309.11285	0.4
311.12762	1.8
327.12473	0.2
327.16046	0.3
337.14343	0.4
355.17297	100.0
356.17688	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	355.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01870	1.0
55.05512	2.5
57.03463	1.0
63.58273	0.5
67.05499	4.7
69.03430	2.9
69.07057	1.5
69.43859	2.3
71.04984	1.7
71.30665	0.5
79.05489	4.5
81.03418	8.3
81.07057	6.2
83.04969	2.7
83.08621	1.9
85.02904	1.6
85.59245	0.6
91.05461	5.4
93.07031	4.0
95.04969	2.2
95.08592	3.4
97.02906	1.2
97.06516	3.3
99.04464	1.5
103.05485	0.6
105.07044	3.6
107.04948	1.6
107.08595	2.1
109.02874	3.0
109.06546	0.9
109.10154	1.6
110.06043	0.7
111.04433	1.4
111.08070	1.4
117.07024	0.7
119.08555	2.5
121.06487	0.9
121.10137	1.6
123.08071	1.4
127.03918	5.1
129.06993	1.8
131.08577	1.9
133.10118	2.9
135.11691	0.6
137.05988	1.4
143.06950	0.6
147.04404	1.5
147.08061	1.1
147.11670	3.3
149.09590	1.3
153.12741	1.0
154.03632	0.5
157.10147	1.6
163.11134	0.6
165.09071	0.8
165.12794	1.1
166.12282	0.8
175.11143	2.6
177.12518	4.0
193.12241	4.8
201.03711	37.1
201.05235	1.6
203.05275	8.9
203.07011	0.9
211.13306	3.0
213.05530	0.9
213.09113	0.7
213.12622	0.6
241.12268	1.2
311.12662	0.8
352.30725	0.6
355.08450	3.2
355.17288	100.0
355.25848	6.5
356.17633	6.8
356.26501	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1728
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
54.09014	2.2
57.39752	2.2
67.05508	5.5
67.51688	2.4
69.03445	2.7
69.14771	8.7
69.15186	11.4
72.46085	2.1
75.68531	2.4
77.66656	2.6
79.05511	3.5
81.03421	3.7
81.07079	3.4
92.36684	2.3
93.07067	3.4
95.04982	2.7
97.06565	6.3
98.22647	5.6
105.07009	2.4
109.02891	3.1
121.10180	2.5
123.08181	2.4
134.95891	2.6
136.38403	2.2
137.06035	2.9
163.10986	2.4
172.19131	2.4
197.06061	3.6
211.07288	2.5
215.06981	2.3
225.09189	4.4
241.12347	9.0
311.13004	8.0
355.08191	4.2
355.17361	100.0
356.17639	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	355.2455
Annotation	3,3-Difluoro-5alpha-androstan-17beta-yl acetate
Peak:m/z	Relative Intensity
55.01864	0.7
55.05499	0.8
57.07070	0.6
67.05495	2.3
67.05816	0.5
69.07058	2.2
69.73699	2.5
79.05476	1.9
80.69240	0.5
81.03410	0.8
81.07063	2.3
83.04963	0.6
83.08624	0.9
91.05491	0.7
93.07014	0.9
95.04979	1.7
95.08625	1.0
97.06528	6.4
98.68672	0.5
105.07024	1.1
107.08564	0.6
109.02861	0.5
109.10154	1.2
121.10194	0.5
123.08038	0.7
129.07008	0.7
131.08560	0.6
133.10127	0.9
137.18048	0.5
148.39110	0.5
157.10147	0.8
166.53209	0.5
170.51920	0.5
173.06065	0.6
189.09077	0.9
199.07545	0.5
213.05428	0.6
241.12434	0.6
259.09952	0.7
272.78903	0.5
313.14645	0.6
337.17560	1.1
355.15353	3.2
355.24539	100.0
356.24863	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	355.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35196	5.8
55.05510	20.0
64.00899	5.8
67.05506	20.8
69.06635	43.3
69.07074	50.2
72.04508	8.4
73.04752	8.8
79.05492	18.8
81.07050	36.3
83.04988	10.6
83.08617	16.1
91.05449	39.5
93.07042	100.0
95.08617	70.2
97.06548	21.1
105.07054	46.0
105.76034	6.7
107.08599	46.3
109.10165	37.3
109.10826	6.4
117.07072	7.6
119.08583	74.2
120.40202	6.6
121.10155	50.1
123.08090	13.7
123.11732	16.0
131.08589	18.7
133.10098	40.0
135.11710	17.0
136.86726	7.2
137.13283	11.5
139.07533	50.8
141.09167	8.7
143.08542	12.7
145.10147	29.6
147.11722	18.8
149.09624	8.8
149.13319	10.0
154.06175	6.3
157.10170	29.0
159.11749	31.4
161.09631	9.9
161.13240	13.0
171.11766	21.4
173.13312	12.6
175.14854	9.1
177.16425	19.3
183.11664	9.6
185.13307	17.1
189.16438	22.4
197.13261	14.2
201.16409	7.8
211.14839	14.8
227.18074	9.3
236.19456	7.1
267.21176	12.2
355.26398	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	355.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54432	0.8
53.03935	3.0
53.99223	0.8
55.01873	11.8
55.05514	36.1
55.09491	0.9
57.03437	8.8
57.07080	13.2
61.46817	0.9
63.73902	0.8
67.05505	35.4
68.05840	1.1
68.85710	0.7
69.07066	36.5
70.06594	10.9
71.04993	1.7
71.08623	5.9
73.02902	2.3
77.03197	0.7
79.05494	10.0
81.03413	2.0
81.07053	47.5
82.07397	1.6
83.04985	1.5
83.08617	25.5
85.02898	0.8
85.06512	1.0
85.10185	2.3
88.07629	14.1
88.99645	0.8
91.05449	1.8
93.07033	5.8
93.24348	0.8
95.04947	1.3
95.08607	45.4
96.08967	1.4
97.06524	12.0
97.10169	13.1
98.22612	1.5
102.09193	2.6
105.07027	1.9
106.08649	5.7
107.08594	3.7
109.06557	2.1
109.10159	20.9
111.11728	3.8
117.07060	1.0
119.08594	2.5
121.10154	5.2
123.08078	2.4
123.11720	7.7
129.05481	3.3
132.87318	1.0
133.10110	2.7
135.11684	1.8
137.13275	2.6
143.08556	1.0
145.10133	1.0
147.11707	1.2
149.13252	1.5
151.14938	1.7
157.06480	0.9
157.10110	1.7
161.13219	1.0
165.16418	1.4
169.10162	1.0
172.08778	1.0
173.05826	0.7
175.14888	1.2
179.17937	1.0
183.07954	1.3
185.09541	1.4
185.13219	1.0
201.09119	2.8
201.12738	1.5
211.07411	1.1
213.09158	1.4
213.12863	1.0
215.10648	2.0
229.08823	1.3
229.12286	2.6
230.12892	1.5
240.01755	0.8
240.11496	1.3
241.12196	3.4
243.10313	1.0
245.22501	1.1
254.62914	0.9
257.11649	1.4
258.12390	4.8
259.13242	2.4
263.23636	3.2
337.17975	1.4
337.27234	1.9
338.34097	3.7
355.28412	100.0
356.28973	6.1
356.35217	70.1
356.39838	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
53.53028	1.0
55.01875	2.0
55.05515	28.7
57.03429	6.3
57.07075	10.5
58.06583	1.9
58.60122	0.9
61.68830	1.0
65.03937	1.6
67.05505	44.5
69.05279	9.4
69.07069	32.8
70.06599	11.4
71.08640	7.2
74.06062	1.3
79.05495	18.4
81.03422	1.2
81.07053	60.0
83.04990	1.3
83.08150	1.6
83.08620	22.3
85.06533	3.3
85.10181	2.6
88.07632	16.8
91.05460	13.3
93.07043	17.9
93.33348	1.2
94.07372	1.2
95.04969	2.1
95.08609	51.0
96.08949	1.1
97.06538	7.4
97.10169	15.1
99.08083	1.6
102.09171	5.8
105.07050	9.2
106.08662	9.6
107.08602	11.9
109.09455	1.8
109.10157	26.1
111.08089	2.8
111.11705	4.0
113.09650	2.2
117.06988	1.3
117.10156	1.0
119.08593	8.0
121.10146	17.6
123.11714	13.8
131.08624	1.4
133.10141	12.2
135.11690	9.8
137.09589	1.6
137.13254	5.5
139.11172	2.0
147.11711	5.7
149.13245	7.1
151.11172	1.3
151.14818	2.4
161.13254	9.9
163.14832	7.3
165.16365	3.6
175.14856	10.0
177.16495	1.5
179.17918	3.1
181.15854	1.6
189.16367	2.3
201.60004	1.3
217.19481	1.5
245.22624	21.6
246.22874	2.3
263.23709	23.3
264.24155	1.6
265.25293	2.2
270.01035	1.1
280.71616	1.1
337.27448	15.2
338.34119	7.2
355.28482	4.9
355.34030	2.9
356.35223	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	355.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07643	2.1
53.03947	4.4
55.01873	3.8
55.05513	39.3
57.03195	1.7
57.03423	12.1
57.07070	12.8
67.05503	83.9
68.05845	4.1
68.71041	1.8
69.03413	2.8
69.07069	51.0
69.56806	2.0
69.94641	5.0
70.06585	5.8
71.05003	2.3
71.08638	4.8
79.05492	36.8
81.03444	3.7
81.07056	100.0
82.07385	2.2
83.04987	3.8
83.08626	32.5
85.06538	4.4
85.10180	4.1
88.07642	10.9
89.07919	2.2
91.05468	20.7
93.07047	37.6
95.04976	6.1
95.08604	74.7
97.06529	85.3
97.10172	22.9
98.06870	3.1
99.08100	3.0
102.09229	1.9
105.07032	23.5
106.08707	5.1
107.08575	21.3
109.06509	2.2
109.10152	38.6
111.08080	5.7
111.11719	8.0
115.42516	2.1
117.07054	2.4
119.08569	19.5
121.10131	24.5
123.08094	2.4
123.11716	19.5
129.05455	2.5
131.08597	2.8
133.10115	20.5
135.11668	12.2
137.13260	8.3
143.08618	5.0
145.10101	3.4
147.11713	16.7
149.13223	14.4
151.14844	7.6
155.08607	2.8
157.10132	4.6
161.13264	13.4
163.14807	13.5
165.16391	7.4
167.14304	2.6
175.14856	12.3
177.16388	2.4
179.17967	4.0
189.16370	5.0
208.92711	1.9
213.08992	2.7
213.12650	2.3
227.14439	2.3
241.08609	2.4
241.12352	6.2
245.22646	37.8
259.13293	4.6
263.23682	36.3
264.76920	2.1
269.11798	7.5
297.16306	2.4
299.17911	2.4
311.16339	19.4
337.18036	3.1
337.27377	26.7
337.33005	3.2
355.15213	3.3
355.19156	4.4
355.24152	23.2
355.28561	7.9
355.33945	64.0
356.34592	2.8
376.62683	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	355.2843
Annotation	CHEBI:75563
Peak:m/z	Relative Intensity
53.03934	2.8
55.01875	12.0
55.05514	30.6
56.05846	1.0
57.03442	10.7
57.07080	11.2
62.75858	0.6
65.03923	0.7
65.10922	0.6
66.23296	0.7
67.05508	35.9
68.05837	0.6
69.02340	3.2
69.02764	1.9
69.07072	31.2
71.04980	1.7
71.08639	4.8
73.02926	3.6
79.05494	7.3
81.03423	1.9
81.07058	45.3
82.07394	1.3
83.04984	0.7
83.08148	1.2
83.08624	19.3
85.06551	1.4
85.10178	2.3
91.05485	3.9
93.07046	5.8
94.07366	0.6
95.04981	1.5
95.08609	43.5
96.08942	1.9
97.06538	5.2
97.10168	14.1
105.07033	2.6
107.08598	4.2
109.06540	1.4
109.10159	25.7
109.10918	1.3
110.10500	0.6
111.11732	4.5
119.08598	2.6
121.10150	2.5
123.08099	1.2
123.11703	9.0
125.09640	0.6
127.07578	0.8
129.05490	2.7
133.10120	2.4
135.11723	2.1
137.09656	1.2
137.13290	3.9
147.11691	1.1
149.13315	1.6
151.11206	0.9
151.14784	1.6
163.14885	1.0
165.16396	1.0
174.16626	0.6
189.16420	1.2
193.19304	0.8
245.22624	1.7
263.23666	5.4
295.08337	0.8
337.27209	2.1
355.28424	100.0
356.28757	8.9
379.21674	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0745
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18528	1.9
56.96565	26.1
57.03442	7.9
58.61641	2.1
63.11229	1.9
64.90601	1.9
67.05515	3.0
68.66827	2.0
69.03435	7.8
69.71985	6.0
69.72397	4.5
70.06596	6.2
71.05003	4.2
72.08163	2.1
73.04775	4.1
78.64958	1.9
81.03432	4.7
85.02913	7.5
85.05775	2.0
91.05795	6.4
95.04955	2.6
97.02886	7.6
98.97593	11.5
99.04488	2.6
112.04339	4.4
112.05093	72.5
112.05869	3.8
116.98631	6.5
124.99282	2.4
127.03922	2.5
138.52045	1.9
148.07610	4.0
150.05576	2.2
150.06630	28.8
158.74669	2.0
173.81433	1.8
176.06975	5.3
178.09871	2.4
180.03371	11.1
182.04965	2.4
188.08171	5.9
194.08124	23.7
198.04378	7.6
203.05196	2.8
206.09259	58.4
210.04285	5.0
214.03897	8.0
224.10312	100.0
232.04974	5.8
236.02200	3.5
248.01857	2.5
254.03406	26.7
256.04776	4.0
262.15430	2.4
263.15863	5.6
272.04419	9.3
285.01013	2.3
296.04599	2.9
333.06473	2.9
339.12872	3.7
356.03610	3.0
356.07416	88.0
356.13007	17.9
356.19772	2.7
357.12085	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	356.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	5.6
57.07066	3.1
61.02922	3.2
66.34164	1.7
67.05473	2.3
69.03429	8.3
69.07058	3.4
70.06585	2.3
71.05006	3.8
71.29549	1.6
71.29951	2.0
73.02920	2.7
81.03432	3.9
84.04505	2.7
84.08125	2.0
85.02902	16.4
85.10175	3.8
87.04469	4.6
95.04976	2.1
95.08611	33.8
96.04504	4.0
97.02872	4.6
99.04424	2.1
99.05592	1.8
108.04468	10.9
109.02894	3.4
113.09648	19.9
121.02818	3.1
125.02365	4.8
125.44266	1.7
127.03876	2.3
127.06853	1.7
131.10678	100.0
132.11011	4.1
136.03903	1.8
137.06001	5.5
140.07118	2.2
143.37086	1.8
144.99763	1.8
150.05492	2.4
151.03938	2.1
152.55521	1.6
153.01845	3.2
159.27090	1.8
167.03371	1.9
177.11235	10.0
182.08156	5.0
188.10735	2.1
195.02878	2.1
195.06329	5.7
213.03963	3.0
224.12848	2.5
286.40585	1.5
324.09467	3.2
338.12225	1.8
348.00693	1.7
356.17062	19.8
357.11771	5.0
357.15182	85.9
371.09116	1.8
374.62399	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.01874	22.0
61.66162	2.3
65.03943	5.2
67.05495	4.4
69.03439	4.1
69.07046	3.4
75.84393	2.0
79.05489	9.2
80.14665	2.4
81.03409	4.9
81.07034	12.1
83.08622	3.0
85.02921	2.9
90.67085	2.0
91.05503	12.7
93.03410	5.5
93.07037	7.7
94.04170	6.1
95.04961	5.8
95.08601	5.9
97.06548	5.0
97.10188	3.5
103.05454	5.3
105.07015	9.4
107.04913	5.1
109.02911	3.8
109.06527	6.4
111.04456	4.6
112.16686	2.2
115.05440	7.0
117.03371	4.8
117.07046	3.0
119.08569	3.9
121.06484	6.0
121.10145	4.8
122.03632	20.7
123.04400	2.7
125.05983	2.7
131.04935	6.6
131.08534	2.5
133.06506	3.3
133.10121	3.2
135.08043	3.0
137.05974	100.0
138.06349	2.6
143.04865	6.7
144.05679	3.4
145.02823	2.6
145.10086	4.7
146.03558	2.4
147.04372	5.4
149.05998	5.7
151.03926	2.7
153.05443	4.6
155.04898	4.7
156.39622	2.2
159.04417	3.4
160.05215	3.6
161.05962	26.5
162.06721	5.2
163.07545	3.9
165.05460	28.0
165.06985	6.3
171.04372	4.8
172.05171	2.5
175.07550	10.3
177.05455	11.1
178.07805	4.6
179.08508	4.6
181.06502	2.1
185.06046	3.0
187.07620	4.5
189.06990	11.4
190.07738	12.7
191.08554	21.1
200.04576	2.5
202.07780	3.0
203.06989	6.4
205.06464	5.6
206.07227	3.6
207.08087	11.9
208.08850	5.0
215.06967	11.9
217.06462	6.2
218.07286	30.7
219.08047	35.6
220.08722	3.9
221.05913	6.3
222.06693	4.2
223.07541	3.2
224.08289	3.1
229.06496	7.0
230.07193	2.4
231.08058	4.3
233.06013	2.5
233.09581	3.3
234.06743	10.2
235.07510	15.0
236.08237	9.3
237.09012	3.0
240.07718	2.8
245.05931	3.6
246.06786	18.8
247.07509	33.9
248.08217	9.8
249.05469	3.2
249.09090	10.7
250.09857	3.6
251.06973	6.9
251.10655	4.8
253.08482	3.4
257.05923	9.2
258.06302	3.3
259.07559	3.0
261.09088	29.8
262.06226	5.4
263.07037	14.9
264.07800	18.8
265.08499	7.4
266.09512	3.5
267.10178	5.3
273.05685	2.5
274.06131	12.3
275.06955	16.0
276.07770	4.9
277.08603	23.0
278.09225	8.8
279.06970	2.1
279.10126	16.3
289.08557	40.1
290.09335	7.5
290.12881	2.1
291.06424	8.9
292.07175	5.8
293.11536	3.6
294.08896	4.7
295.09521	7.7
306.08780	10.1
307.09644	75.4
308.10068	7.9
309.07742	4.1
309.11108	19.0
311.12683	4.8
321.11197	46.9
322.11465	5.2
324.09912	3.2
327.12244	23.6
339.12222	33.2
340.12405	2.4
357.14539	3.8
357.18338	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	357.133
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
53.03931	1.6
53.56968	1.8
55.01875	18.0
58.61663	1.8
62.77277	1.8
63.41622	1.6
65.03936	4.4
65.12431	1.8
67.05502	4.9
69.03432	3.0
69.07057	1.7
69.46217	10.7
79.05491	6.0
81.03415	2.4
81.07050	8.9
83.38256	2.1
85.88448	2.1
91.05477	10.9
93.03397	5.1
93.07053	4.4
94.04185	8.3
95.04951	4.0
95.08585	2.9
97.02922	2.7
97.06507	2.5
97.10193	2.7
98.22689	4.0
103.05476	6.1
105.07014	7.1
107.04939	4.1
107.08595	4.6
109.06509	4.5
109.10146	2.4
111.04445	6.2
115.05454	7.6
117.03358	5.0
117.06981	2.2
119.04989	2.5
119.08556	2.1
121.06505	3.8
122.03662	16.3
123.89762	1.7
125.05956	6.0
130.04167	2.3
131.04915	5.8
133.06520	2.4
133.10077	2.3
137.05977	100.0
138.06346	2.2
143.04974	4.0
144.05713	3.1
145.02812	2.7
146.03613	7.1
147.04387	5.3
149.05977	3.7
151.03951	4.0
153.05467	4.0
155.04893	4.3
160.05165	2.6
161.05977	24.1
162.06783	4.4
163.07436	2.4
165.05490	33.9
165.06850	3.4
171.04541	2.2
173.05978	2.1
175.07524	7.1
177.05486	14.4
178.07719	2.3
179.08563	5.9
179.10425	1.6
187.07498	6.0
189.05476	2.9
189.07002	13.2
190.07771	12.1
191.08527	15.6
201.07042	2.9
202.07748	3.4
203.07014	8.0
203.08675	4.3
205.06491	6.2
206.07217	4.6
207.08015	12.1
208.08804	8.1
215.06912	9.9
217.06464	5.6
218.07210	20.7
219.08046	31.6
220.08730	6.3
221.05925	6.3
223.07550	2.5
229.06438	10.0
231.08015	4.8
233.09605	4.0
234.06688	8.7
235.07520	18.3
236.08215	9.5
237.09023	3.0
241.21243	2.1
245.05998	2.8
246.06749	24.7
247.07520	35.5
248.08159	7.8
249.05411	3.8
249.09171	9.8
251.07001	5.7
251.10600	5.4
252.07744	3.5
253.08577	2.2
257.05988	6.6
258.06702	4.9
259.07532	4.9
260.08191	2.5
261.09088	35.8
262.06262	6.7
263.06958	17.5
263.41891	1.8
264.07797	19.1
265.05988	2.0
265.08435	8.6
267.10181	4.8
269.08112	2.5
274.06302	13.6
275.06955	17.8
276.07635	4.5
277.08569	24.9
278.09204	8.9
279.10150	15.2
280.10638	3.3
284.10321	2.3
289.08560	44.0
290.09259	8.0
291.06549	7.5
291.09662	1.9
292.07239	7.2
293.08057	3.6
294.08875	7.5
295.09720	5.1
296.10361	2.2
306.08884	10.5
307.09622	93.5
308.10007	9.7
309.07809	3.8
309.11160	16.1
310.11710	2.0
321.11224	57.9
322.11395	5.3
324.09854	2.4
327.12222	19.3
339.12244	35.0
340.12515	2.6
357.14105	2.8
357.18732	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	357.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22875	0.4
56.96540	5.6
64.89400	0.4
69.03426	1.7
69.68114	1.8
70.06594	1.2
73.04747	0.4
74.97617	0.5
81.03410	1.7
84.04464	0.5
84.08130	0.9
85.02898	2.4
97.02889	1.2
98.08455	0.5
98.22675	0.6
98.97579	5.8
99.04442	0.6
110.06059	0.4
110.97534	1.0
116.98616	2.1
127.03907	0.5
128.98578	0.6
134.99669	0.9
138.02351	1.3
143.00122	0.5
156.03310	52.0
157.03465	0.6
158.99681	1.3
161.01245	0.4
161.04474	0.5
162.67169	0.4
164.10555	0.5
168.03310	26.1
170.08118	1.2
172.94359	0.7
174.04379	44.7
175.02895	0.6
175.04663	1.0
177.00711	0.9
186.04375	100.0
187.04710	2.8
190.95473	0.7
192.05412	6.0
201.00726	0.5
204.05432	65.2
205.05812	1.7
209.05977	1.4
216.56270	0.8
219.01730	1.6
222.06554	2.9
225.10498	0.5
227.07043	0.7
228.05412	46.9
229.05722	1.4
232.04849	0.6
232.96458	0.9
237.02794	2.0
246.06487	34.3
247.06784	1.4
250.97557	0.7
267.10052	0.8
269.08047	1.2
279.10156	19.1
280.10489	1.1
289.03412	0.6
292.98737	0.6
297.11197	39.1
298.11520	1.7
315.12302	1.0
321.04639	0.5
357.06580	1.2
357.11700	2.8
357.24905	1.0
358.07806	1.2
376.09021	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
70.92915	0.5
79.05484	0.4
81.07053	0.5
97.06535	1.2
108.83778	0.2
144.71585	0.4
170.09668	0.6
185.04115	0.3
195.13583	0.5
199.77280	0.3
254.78177	0.3
298.90100	0.3
330.02701	0.3
357.18811	100.0
358.14972	0.5
358.19183	6.9
358.47714	0.3
382.95990	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46893	0.6
53.03926	0.5
55.05499	2.2
57.03434	1.3
57.07072	0.5
67.05513	3.4
69.03429	1.5
69.07063	3.7
71.04987	1.2
71.29342	0.5
74.82695	0.7
79.05482	3.6
81.03410	1.0
81.07059	6.2
83.05017	1.1
83.08615	1.0
85.06532	1.1
91.05493	1.5
92.86831	0.5
93.07043	3.6
95.04981	1.3
95.08622	3.4
97.06530	4.0
97.10167	0.8
105.07043	1.7
107.08599	2.3
109.02872	1.6
109.06506	0.7
109.10153	4.0
114.79272	0.6
117.05508	0.8
119.08588	1.5
121.10170	2.8
123.11690	2.9
125.02374	0.8
131.08580	0.9
133.10139	1.5
135.11717	2.3
137.05981	1.7
137.09619	1.7
139.11201	1.7
143.08597	0.6
145.10077	1.1
147.04404	0.8
147.08008	0.8
147.11673	1.0
149.09634	0.7
149.13216	1.0
154.54361	0.5
159.11707	1.0
161.13289	0.9
165.09142	2.3
167.10693	0.7
171.08081	0.5
177.12796	0.6
187.14807	0.9
203.05325	1.2
223.16946	0.8
241.17924	0.9
303.23172	1.1
321.24283	2.7
339.25583	0.9
357.18842	100.0
357.27609	4.0
358.19180	7.7
367.32056	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46893	0.6
53.03926	0.5
55.05499	2.2
57.03434	1.3
57.07072	0.5
67.05513	3.4
69.03429	1.5
69.07063	3.7
71.04987	1.2
71.29342	0.5
74.82695	0.7
79.05482	3.6
81.03410	1.0
81.07059	6.2
83.05017	1.1
83.08615	1.0
85.06532	1.1
91.05493	1.5
92.86831	0.5
93.07043	3.6
95.04981	1.3
95.08622	3.4
97.06530	4.0
97.10167	0.8
105.07043	1.7
107.08599	2.3
109.02872	1.6
109.06506	0.7
109.10153	4.0
114.79272	0.6
117.05508	0.8
119.08588	1.5
121.10170	2.8
123.11690	2.9
125.02374	0.8
131.08580	0.9
133.10139	1.5
135.11717	2.3
137.05981	1.7
137.09619	1.7
139.11201	1.7
143.08597	0.6
145.10077	1.1
147.04404	0.8
147.08008	0.8
147.11673	1.0
149.09634	0.7
149.13216	1.0
154.54361	0.5
159.11707	1.0
161.13289	0.9
165.09142	2.3
167.10693	0.7
171.08081	0.5
177.12796	0.6
187.14807	0.9
203.05325	1.2
223.16946	0.8
241.17924	0.9
303.23172	1.1
321.24283	2.7
339.25583	0.9
357.18842	100.0
357.27609	4.0
358.19180	7.7
367.32056	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2786
Annotation	Nisinic acid
Peak:m/z	Relative Intensity
53.03944	3.4
55.05515	15.7
67.05510	28.5
69.07061	12.0
70.62319	5.1
71.04983	3.0
79.05489	18.8
81.07059	44.8
83.04973	4.6
83.08630	19.6
85.06577	5.5
88.63686	2.0
91.05468	17.5
93.07044	33.1
95.04964	4.4
95.08607	49.7
97.06524	8.6
97.10191	2.5
99.04462	4.7
99.19782	2.1
101.06019	7.2
105.07034	32.6
107.08594	34.8
109.06495	4.3
109.10151	26.5
110.10419	2.2
111.08083	2.2
115.07500	2.6
117.06978	5.6
119.08585	30.7
121.06479	2.3
121.10134	29.6
123.11695	4.4
129.07021	2.6
131.08568	6.8
133.10127	32.0
135.08096	3.2
135.11707	31.5
136.61584	3.3
137.05984	2.7
137.09544	3.5
143.08536	2.8
145.10143	15.1
147.11699	25.9
149.09721	2.4
149.13275	18.5
153.08961	2.2
157.10101	2.9
159.11761	12.3
161.09633	3.7
161.13263	27.8
163.11201	4.7
163.14821	8.8
167.10695	4.0
169.10124	3.5
173.13332	6.3
175.14806	17.9
177.12720	5.4
179.10637	2.8
181.12253	5.5
187.14781	6.6
189.16418	9.1
193.12257	3.9
195.13797	7.6
201.16344	14.8
203.14279	3.1
203.17995	5.6
207.13863	5.5
215.17931	17.5
217.19467	4.9
221.15358	7.6
229.15944	4.4
229.19630	4.2
234.83205	2.3
235.17101	3.3
243.17349	3.0
243.21176	3.0
247.16876	10.9
257.22659	8.3
261.18539	5.5
269.18927	2.5
275.19995	14.0
301.21796	4.0
321.25830	4.8
339.26843	3.9
357.16553	3.3
357.20984	4.3
357.27866	100.0
358.28220	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	357.2998
Annotation	2,3-Dihydroxypropyl oleate
Peak:m/z	Relative Intensity
50.07116	0.8
53.03940	1.9
55.01859	2.9
55.05512	79.8
56.05835	1.8
57.03159	1.6
57.03438	30.5
57.07077	55.5
58.07423	0.8
59.04998	1.7
65.03944	1.1
67.05504	28.1
69.03439	1.2
69.07069	97.9
69.96787	2.9
70.06585	2.1
70.07393	2.4
71.04980	2.8
71.08633	32.2
73.06549	2.5
75.04483	1.3
79.05489	15.9
81.07058	43.6
83.04981	4.7
83.08617	67.7
84.08937	1.4
85.06539	3.4
85.10183	16.8
87.08121	1.1
88.07616	3.7
91.05480	3.0
93.07043	21.6
94.07337	1.1
95.04942	1.0
95.08608	39.8
97.06535	16.5
97.10168	36.9
99.08096	1.6
99.11727	1.0
101.06027	3.6
102.09191	0.9
105.07030	1.6
106.08669	1.3
107.08595	17.3
108.08923	1.1
109.10159	20.5
111.08083	11.6
111.11721	14.3
113.09630	0.9
115.07565	4.0
119.11472	0.7
121.10136	19.1
122.10492	0.9
123.11694	7.1
125.09645	11.6
125.13266	3.9
127.11242	1.1
129.09106	4.1
135.11693	20.9
136.12035	0.9
137.13272	3.0
139.11174	13.2
139.14813	1.0
143.10681	2.3
146.43633	0.7
149.13254	13.8
151.14821	2.4
151.87823	0.9
153.12741	8.8
157.12260	2.4
163.14832	9.9
165.16396	3.1
167.14328	5.4
171.13802	2.0
177.16371	7.3
181.15848	4.2
185.15448	1.7
191.17937	4.7
195.17416	4.5
199.17155	0.8
200.63058	0.9
205.19511	1.3
209.19031	2.1
223.20511	1.1
227.19986	0.8
247.24234	10.6
265.25262	18.3
266.10614	0.8
266.25510	2.0
283.26260	2.7
339.28894	14.7
340.29584	1.0
357.29965	100.0
357.35446	17.1
358.30289	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	357.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.1
55.01858	3.7
55.05512	39.0
57.03431	6.0
57.07076	34.5
58.06593	3.3
65.97015	2.9
67.05508	35.9
69.03416	4.3
69.06730	4.4
69.07071	48.6
70.06583	22.3
71.04987	7.9
71.08626	13.6
79.05487	30.0
81.03426	3.4
81.07053	50.3
83.04974	3.9
83.08619	33.6
84.77950	2.9
85.06535	4.3
85.10169	8.3
88.07626	21.2
91.05472	7.6
93.07042	38.5
95.04944	3.6
95.08608	44.1
97.06522	14.9
97.10169	23.7
102.09218	6.3
105.07023	15.3
106.08674	12.5
107.08590	26.0
109.10139	21.9
111.08082	9.9
111.11724	7.0
117.07017	7.5
119.08592	11.4
121.10142	47.6
121.11000	4.2
123.11685	7.3
125.09598	3.0
125.13268	3.0
131.08580	4.4
131.94189	2.7
133.10168	5.3
135.08066	3.5
135.11687	29.2
137.09651	3.6
139.11189	5.3
142.07736	3.3
143.08534	4.8
145.10115	14.3
147.08003	5.2
147.09225	2.8
149.09598	5.1
149.13260	14.6
151.14784	3.0
153.12788	3.4
163.14836	7.8
165.09123	7.3
165.16411	5.2
167.14394	2.9
177.12674	6.8
177.16389	3.9
221.15404	8.4
222.15733	3.1
247.24196	33.4
265.25302	23.9
277.17926	7.0
318.59909	2.8
339.28915	19.4
339.34695	6.0
340.35446	6.1
357.24387	10.3
357.35556	79.6
358.36774	100.0
376.09879	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	358.09
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96539	1.5
58.39592	1.0
62.00830	1.0
67.05511	2.0
69.03426	4.3
69.13559	6.2
69.13963	2.8
70.06594	1.8
73.02915	1.5
75.01456	1.1
81.03389	1.7
83.04987	1.3
84.08112	1.3
85.02914	5.6
94.93037	4.8
97.02895	3.1
98.97593	2.5
101.00884	3.5
110.06042	5.1
112.89590	2.5
119.01946	4.7
123.32983	1.3
127.03987	1.5
131.01895	3.2
133.03488	1.6
138.05492	9.2
143.01903	6.7
145.03514	2.0
150.05347	1.7
155.01936	2.7
155.70369	1.2
156.06610	3.1
161.02989	10.3
164.93544	5.8
173.02988	7.3
178.04810	6.6
196.03833	2.2
196.05750	1.8
196.09691	3.5
197.02559	1.3
202.89174	1.4
203.03638	1.5
203.05429	11.8
206.94859	1.2
208.72366	1.1
209.03044	1.8
211.04546	2.5
215.03954	2.2
221.05037	3.2
227.03876	2.5
232.96170	4.5
239.03996	1.8
252.90698	2.2
257.01175	1.2
277.57455	1.4
299.06131	11.0
314.12115	2.5
317.07263	5.8
322.10260	2.0
340.92233	3.9
347.41913	1.3
358.10898	100.0
358.93262	9.2
359.06885	28.5
359.13184	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	358.9982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35673	3.5
56.96572	7.0
69.05988	31.9
81.86327	3.8
90.95393	3.6
98.97580	100.0
98.98193	6.2
116.98620	47.5
119.01952	3.7
134.99635	17.0
161.95419	3.4
172.94394	13.3
174.97688	12.4
177.01010	6.6
190.95445	11.7
192.98770	7.6
198.97736	4.9
208.96576	6.4
214.95531	10.2
216.98740	37.7
219.01964	6.1
232.96468	36.1
234.96167	10.9
234.99731	49.7
235.99846	5.5
250.94226	5.8
250.97591	23.9
252.97247	6.3
256.96732	14.2
258.99786	33.2
261.03055	15.6
263.02924	13.3
268.98749	3.7
274.94821	5.7
274.97653	37.5
277.00894	36.2
280.96762	4.7
283.00101	7.0
284.99829	13.0
292.95108	14.0
292.98572	8.1
293.95776	6.0
298.97769	50.6
299.97760	6.4
301.01373	5.1
303.00809	17.5
307.93561	4.6
316.95023	48.3
316.98837	81.2
317.02414	6.7
317.95142	8.2
317.98965	7.8
334.96066	53.4
335.96121	6.8
340.98798	33.2
341.98801	5.9
358.99854	73.5
359.99963	10.7
376.97333	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.065
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	21.0
62.95763	0.6
69.03424	0.7
70.25217	1.8
70.41734	0.6
71.95282	1.0
79.73970	0.6
81.03420	6.2
84.96040	8.9
85.02892	1.1
86.06080	0.7
87.00774	0.7
97.02836	0.7
97.96806	4.8
98.97583	100.0
99.97919	0.7
102.97072	1.0
110.97569	22.7
112.99143	2.5
115.97862	1.9
116.98624	32.5
124.99127	2.0
126.97048	0.8
128.98608	18.1
131.00179	2.6
134.99654	6.6
136.99088	0.7
140.98587	3.8
143.00163	6.9
144.98064	3.4
146.99652	6.4
152.98596	9.7
153.00529	0.7
155.00172	2.3
158.99652	17.5
161.01245	5.1
162.99155	2.6
165.00696	0.7
169.49203	0.6
170.99667	8.2
173.01221	1.9
174.99162	1.1
177.00716	15.4
179.00111	1.2
189.00735	3.9
195.01830	1.0
197.01094	3.5
198.07678	0.7
201.00658	4.2
215.02243	3.5
219.01768	26.4
237.02815	35.2
238.03154	0.8
239.02237	7.2
251.02188	0.9
255.03897	2.1
257.03363	4.4
261.41943	0.7
277.02182	0.8
295.03488	1.8
299.04355	16.5
300.04816	0.7
317.05429	74.5
318.05750	3.4
340.07245	1.3
359.06552	25.7
359.13156	13.0
360.06934	1.1
360.13678	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89200	2.0
56.96560	11.7
57.03424	2.1
67.92544	1.9
69.03413	6.0
69.58209	6.9
81.03439	5.9
84.04494	2.4
84.08126	2.4
84.96059	2.3
85.02907	5.9
86.06111	3.9
96.04482	2.2
97.02865	3.3
98.23286	2.3
98.97588	82.4
99.04440	2.6
109.02876	2.1
110.97586	6.3
116.98625	20.9
127.03931	4.4
128.98628	7.7
134.99675	5.7
137.10686	2.6
145.04942	2.8
146.99643	2.9
151.03856	4.0
155.03780	3.2
158.99629	19.2
170.99710	3.8
177.00706	13.7
180.06581	6.2
182.08121	5.3
189.00777	2.5
189.04422	4.1
195.03291	2.9
197.02142	2.2
197.07870	2.6
198.07741	5.1
213.04378	7.2
219.01721	9.9
220.81918	2.4
231.05566	2.9
237.02773	14.4
257.03278	2.6
315.07526	7.2
317.05475	4.1
333.08630	13.6
359.07175	100.0
359.13068	36.4
360.07611	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	359.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51277	0.8
56.88070	0.7
56.96566	1.3
58.99872	1.0
69.03424	3.7
69.50341	4.5
69.50712	1.7
73.00224	0.9
81.03410	2.6
82.00408	0.8
82.99841	1.8
83.04993	1.4
84.04522	1.1
85.02914	3.3
86.06082	0.9
86.50324	0.7
86.99313	1.0
87.04473	2.6
94.99889	0.9
96.17394	0.7
97.01396	1.9
97.02898	3.9
98.22659	1.2
98.97569	4.1
99.04449	1.2
101.00875	19.8
104.82000	0.8
113.00864	6.2
113.27589	0.8
115.02431	4.8
116.98610	0.9
119.01122	1.7
119.01922	20.1
121.38557	0.9
124.38010	0.8
127.02434	2.9
127.03883	1.0
129.04007	1.5
131.01903	11.3
133.03491	3.5
137.00830	1.6
137.02983	1.3
138.01663	1.1
138.05460	1.0
139.02425	1.5
143.01901	32.7
144.01990	1.7
145.03461	7.5
151.02379	1.0
152.07082	2.0
153.00266	1.1
155.01884	22.1
155.03070	1.6
156.02638	2.9
157.03458	4.5
158.99615	1.3
161.02954	57.2
162.03142	3.7
163.02428	0.9
169.03462	4.6
171.01370	6.0
171.05058	2.5
173.02960	50.5
174.03119	3.7
175.04498	1.2
179.01917	2.4
179.04037	1.1
181.03506	5.1
183.01506	0.9
183.05057	1.7
185.02969	5.9
187.04468	2.4
191.01865	0.8
191.04012	3.5
193.03474	2.9
195.05035	2.2
195.30151	0.9
197.02954	24.9
198.03185	1.5
198.07629	2.0
199.04517	6.6
201.02509	1.6
203.03986	21.1
204.04169	2.0
209.02942	20.1
210.03220	2.0
211.04509	11.7
212.04745	0.9
215.03972	12.8
215.05740	1.1
216.04218	1.5
218.57814	1.4
221.02946	8.8
221.05077	14.9
222.03204	1.1
222.05182	0.9
223.04578	2.3
227.03989	14.3
228.04132	1.4
229.05583	7.1
232.96480	1.0
233.02888	6.2
235.04637	1.0
239.04012	9.8
241.05595	3.9
245.05011	0.9
251.04048	8.9
252.04169	1.6
257.05182	1.8
263.06207	1.8
264.70200	0.9
269.05151	1.1
273.96832	0.9
281.05057	9.3
299.06110	100.0
300.06302	10.6
317.07162	49.5
317.10938	2.0
318.07315	5.0
359.08612	3.6
360.12814	1.9
377.09241	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	359.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00318	0.4
69.03426	1.2
71.21558	1.0
81.03425	0.7
85.02897	2.2
97.02891	0.7
98.97584	0.6
111.04365	0.6
121.02988	0.6
127.03883	0.6
135.04402	1.1
145.02815	1.0
153.05266	0.6
163.03885	8.1
179.06885	1.3
181.05016	2.7
182.07912	0.6
185.04283	0.7
196.33269	0.6
197.07855	8.5
203.05330	1.4
218.98720	0.5
250.75117	0.5
261.31219	0.5
326.52512	0.5
359.07870	3.8
359.12994	100.0
359.16815	60.3
360.13388	5.2
360.17166	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66006	0.5
55.28482	0.5
70.56096	1.1
70.56432	0.7
70.98798	0.4
74.72874	0.5
85.02898	0.8
88.98382	0.4
145.02776	0.6
153.05159	0.6
160.88605	0.5
163.03943	3.4
179.06831	1.4
181.04955	1.7
185.04190	0.7
195.11597	0.6
197.07854	8.3
200.89330	0.6
203.05222	0.7
359.13052	100.0
359.16864	20.1
360.13388	5.9
360.17126	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1699
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
55.01876	7.5
55.05520	14.7
57.03441	10.8
67.05499	23.7
69.03433	32.6
69.07046	6.4
69.20172	36.6
69.20573	11.9
71.04993	12.3
79.05494	11.8
81.03414	17.3
81.07079	11.0
83.04960	12.1
84.04517	10.2
85.02895	20.2
86.06062	17.6
86.09729	9.5
87.04481	19.2
91.05448	15.7
95.04973	13.5
95.08556	7.7
96.04526	14.1
97.02898	15.7
98.74741	6.1
99.04455	6.0
105.07036	10.0
107.08604	7.7
109.06591	8.0
113.06051	9.0
119.04880	6.6
121.06525	6.8
133.02803	6.0
133.10100	6.4
135.11700	6.6
137.05986	18.7
137.09619	8.2
138.06369	6.0
141.01361	6.7
141.06979	13.7
141.65347	6.5
145.10123	8.1
147.04402	12.8
151.03914	8.4
154.08534	10.1
169.06538	11.6
180.06537	18.1
182.08112	11.7
197.06029	21.2
197.11755	32.0
198.07652	12.8
207.06459	8.9
217.05017	9.4
269.04425	10.4
323.09149	8.8
327.14093	23.5
341.15741	18.2
359.16922	100.0
360.17096	8.4
371.68335	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	359.1699
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03947	2.5
55.01859	1.3
55.05512	1.6
57.03427	3.4
61.02914	2.4
67.05508	4.1
69.03432	10.5
70.05141	2.5
70.05536	2.3
70.06577	3.8
71.04976	1.8
73.02897	1.4
79.05470	2.6
81.03415	5.0
81.07055	3.3
83.04990	3.4
84.04510	1.9
85.02904	37.2
86.06049	1.4
86.09708	2.9
87.04478	3.1
90.17602	1.1
91.05477	7.3
93.07041	10.7
95.04974	5.7
95.08640	2.1
96.04487	1.6
97.02885	9.2
99.04478	2.8
105.07030	12.8
107.04961	1.9
107.08595	23.7
109.02876	5.0
109.06506	2.8
109.10162	3.6
114.82697	1.2
119.04957	1.7
119.08562	3.1
121.06483	2.9
127.03899	9.9
131.04901	1.5
131.08585	1.5
133.02838	5.2
133.10139	26.7
135.11691	22.9
137.05995	4.8
137.09615	2.6
145.04953	4.5
151.03957	1.4
151.11206	2.5
161.09604	12.5
175.07681	1.2
179.10670	51.8
180.06622	2.6
180.11096	1.6
182.08131	2.1
193.04977	7.6
197.11728	100.0
198.12044	4.5
253.09622	1.8
309.08664	4.3
327.10080	1.5
341.11075	1.7
359.12134	7.3
359.16754	13.0
377.09064	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2192
Annotation	Bengamide E
Peak:m/z	Relative Intensity
57.07067	0.6
64.44743	0.5
64.45319	0.5
67.05495	1.0
69.62980	0.5
69.63313	1.9
72.08150	1.4
81.07014	0.5
87.04468	0.7
88.07649	0.7
91.05489	1.0
93.07056	0.7
95.04998	0.6
95.08587	0.6
102.09156	0.5
107.08482	0.4
109.06502	0.6
109.10150	0.8
129.09109	1.1
133.10121	0.7
145.10101	0.6
165.12784	0.5
226.40341	0.4
245.11497	1.1
257.26675	0.5
259.13135	0.5
298.31207	0.7
359.21921	100.0
360.22272	9.1
360.34689	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
55.01856	0.7
57.03430	0.7
58.61098	0.6
59.68107	0.5
61.02925	1.4
63.96531	0.5
69.03429	4.0
69.20837	0.5
70.62318	1.1
70.62651	0.8
71.04994	0.5
73.02901	0.9
79.05496	1.0
81.03407	1.1
85.02908	13.0
86.06044	0.6
89.03927	3.5
91.03959	1.0
91.05506	0.7
97.02906	3.7
99.04470	1.0
107.04965	2.1
109.43332	0.6
109.44081	0.6
116.02088	0.5
117.03391	7.8
127.03903	2.2
135.04427	13.9
139.03882	0.8
145.02852	10.7
145.04922	3.0
163.03911	100.0
164.04266	3.0
172.04214	0.7
180.06578	1.4
180.08759	0.7
181.04964	39.0
182.05286	0.8
198.07581	0.9
272.26697	0.6
314.88489	0.8
346.76999	0.6
360.17148	2.6
361.14246	1.0
361.18314	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53906	1.4
53.03949	3.6
54.01015	1.9
54.45652	1.5
55.01867	2.2
56.05028	1.9
57.03432	4.3
60.41354	1.3
61.02929	2.2
68.05038	8.3
69.03434	24.2
69.36379	6.1
70.06604	4.1
71.04979	1.6
79.05482	2.5
81.03436	3.0
81.07026	1.8
84.04515	17.8
85.02906	22.9
86.06073	64.3
87.04472	35.0
88.43974	1.4
91.05468	3.3
93.07060	2.0
95.01387	1.8
95.04981	2.8
95.54381	1.6
96.04501	38.7
96.05106	2.7
96.08160	4.5
97.02899	16.3
98.06057	13.1
98.22654	1.8
106.06555	4.5
108.08122	7.4
109.14555	1.5
109.17738	1.8
110.06038	2.5
112.03986	10.8
114.30167	1.7
115.03938	1.7
116.07081	3.4
122.06026	2.8
124.03977	4.7
124.07613	13.2
125.02373	1.8
126.09133	1.9
127.03931	5.2
134.06003	12.8
136.07588	28.2
137.08377	4.5
137.35583	1.5
138.05498	6.1
145.04985	2.1
147.49669	1.8
152.07072	28.8
154.08636	39.8
158.50546	1.8
162.05464	3.1
163.03903	2.8
164.07112	5.8
168.20673	1.7
180.06564	100.0
181.06926	6.0
182.08145	58.1
183.08817	2.9
198.07617	58.2
198.85477	1.5
199.07991	2.2
200.09290	1.9
221.05092	1.5
257.06586	1.8
314.12308	15.1
317.12216	2.9
342.11865	6.5
360.13248	13.5
361.10742	2.6
361.14703	9.8
365.58548	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	360.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32488	1.0
57.03389	1.0
65.03947	1.2
67.05501	1.3
69.03419	4.6
70.06593	12.1
70.96480	0.9
71.28922	1.4
79.05473	1.3
81.03418	1.2
81.07054	1.2
84.04485	1.6
85.02905	6.0
86.06071	4.6
87.04472	1.8
91.05479	1.2
95.04958	1.7
96.04498	2.5
97.02896	3.0
105.07031	1.4
121.02859	3.3
121.10100	1.7
127.03912	1.2
133.02849	2.4
135.04370	2.6
135.08113	1.1
136.07523	1.5
145.04996	1.7
149.02345	100.0
150.02707	3.4
152.07091	1.8
154.08638	2.8
163.03908	68.1
163.07571	2.1
163.11212	1.5
164.04259	1.7
167.03461	1.5
178.25899	1.0
180.06607	4.3
181.04961	26.7
181.12357	1.3
182.05240	1.2
182.08141	3.3
198.07657	2.3
203.10881	1.2
360.15997	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	41.3
67.05503	89.6
69.07060	45.8
69.12519	93.5
71.04983	69.4
79.05488	88.4
81.07046	56.3
83.08615	23.4
91.05471	46.7
93.07047	83.7
95.04932	11.2
95.08597	30.9
97.06505	19.1
97.10168	17.2
105.07031	19.8
107.08595	38.8
109.06494	14.3
109.10185	75.6
119.08544	22.0
121.10146	65.6
125.09650	21.7
128.95006	10.1
131.08562	20.0
148.87117	10.0
153.12747	47.0
155.10716	21.1
155.18477	10.6
165.05058	9.9
173.11768	100.0
183.87712	10.6
189.11237	15.1
275.20087	38.4
278.91263	11.1
364.14923	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	360.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	32.3
55.05511	35.8
67.05517	67.9
69.07092	31.0
70.06631	37.0
70.24982	100.0
70.30177	28.1
71.04981	32.8
79.05495	78.6
81.07064	75.6
88.90741	31.0
89.87320	27.8
91.05485	66.8
93.07060	85.1
95.08644	45.9
97.06539	51.6
105.07059	51.5
107.08609	37.6
121.10158	33.0
131.08612	45.5
133.10207	40.0
135.08095	27.1
147.11763	34.0
192.24573	28.5
219.95779	28.7
251.74492	28.0
268.29391	32.4
275.19855	51.4
338.37589	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.9
55.05511	8.5
57.07078	2.5
67.05505	5.0
69.07080	3.0
69.29241	3.7
70.06591	37.6
70.51462	0.6
71.08627	3.7
72.08154	100.0
73.08482	1.7
79.05493	2.7
81.07057	5.9
83.08624	0.7
85.06533	0.9
88.07626	0.6
91.05482	1.7
93.07049	5.3
95.04976	6.2
95.08605	5.5
96.08934	0.7
97.06546	2.0
98.03754	0.5
98.06055	23.3
99.08085	2.2
105.07002	3.5
107.08607	4.2
109.06513	7.1
109.10184	2.3
114.09148	0.8
117.07068	0.8
119.08598	1.9
121.06484	1.0
121.10161	1.4
123.08036	1.1
126.09180	2.2
131.08595	1.6
133.10146	2.8
135.08105	1.4
140.10690	6.9
140.25693	0.7
143.08591	0.6
145.10146	1.5
147.11687	1.9
147.71861	0.7
149.13286	1.4
154.12288	2.1
159.11623	1.3
165.12749	32.4
166.13168	1.1
168.13857	1.0
173.13277	2.4
175.11197	1.0
191.14256	1.6
201.12711	1.5
206.15437	1.5
208.16922	5.4
210.14923	1.0
213.12930	0.7
220.17010	0.8
229.19490	1.7
231.06204	0.6
238.18054	4.3
238.20224	0.9
246.18454	3.2
261.14243	0.7
262.21649	18.1
263.21906	1.2
271.20578	2.2
289.21622	1.3
291.23373	0.9
292.23285	0.8
330.27188	0.9
342.27960	2.6
360.28961	25.7
360.38095	0.9
361.19711	1.6
361.23544	12.4
361.29053	3.9
384.10062	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24740	1.0
58.99866	1.1
69.03423	2.7
69.14945	0.9
69.59349	5.0
69.59675	1.6
69.99530	0.9
71.41018	0.9
73.15989	1.1
74.16552	1.0
81.03412	9.0
82.99857	3.7
85.02922	2.2
89.00816	1.2
98.97587	1.9
101.00877	30.0
102.00942	1.0
113.00867	3.5
115.02424	1.2
117.70335	1.0
119.01922	27.8
120.02016	1.5
127.02414	2.5
131.01936	6.1
132.02017	1.1
137.02922	1.4
139.02365	1.8
140.03348	1.2
142.91876	1.2
143.01892	62.8
144.02025	2.5
145.03459	5.9
153.03987	5.0
155.01886	6.1
156.02724	3.3
157.03494	9.0
161.02956	100.0
162.03059	6.8
171.05014	21.9
172.05180	1.2
173.02962	6.6
175.04549	2.3
179.04025	1.1
181.03448	20.7
182.03679	1.1
182.08125	2.1
183.05043	3.3
184.09654	1.4
185.02975	3.0
189.05981	1.5
193.03569	1.3
195.05066	1.1
199.04521	31.3
199.06378	1.8
199.10779	3.2
200.04718	2.1
203.04007	68.8
204.04065	2.4
211.04529	3.2
215.43257	0.9
221.05058	54.1
222.05310	4.6
223.04536	1.6
239.06104	1.1
241.05566	11.9
242.05949	1.2
245.05057	3.8
263.06168	9.2
271.06561	11.9
301.07693	28.0
302.07709	2.5
319.08466	1.1
332.72580	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29203	0.6
52.52543	0.6
55.05497	1.3
56.13068	0.7
57.07069	2.6
66.30769	0.5
67.05499	3.8
69.07051	2.7
71.08620	1.2
72.08150	0.7
72.40411	0.6
73.64184	0.6
74.09715	4.2
77.54916	0.7
79.05486	1.6
81.07045	2.8
82.86151	0.6
83.08595	1.1
88.07651	0.8
91.05462	2.6
93.07048	2.8
95.04971	2.3
95.08614	2.6
97.06478	0.8
99.08080	0.9
105.07031	2.7
107.08591	1.8
109.06496	1.0
109.10123	1.0
119.08565	2.4
121.06533	0.6
121.10166	1.6
129.07100	0.6
131.08575	1.2
133.10106	2.0
134.02295	0.6
135.11708	1.3
145.10155	1.2
147.11646	0.6
149.02327	1.8
149.13307	0.8
157.10063	0.8
159.11650	0.8
165.12769	2.7
169.10077	0.8
171.11696	0.7
173.13277	0.8
184.49419	0.8
186.13751	0.6
187.11154	0.9
193.04999	2.4
217.80281	0.6
229.12300	0.7
246.66971	0.9
247.12930	0.8
252.23224	1.2
256.25912	0.6
330.27219	1.3
343.22586	0.9
361.23514	100.0
361.28568	6.5
361.79193	2.5
362.23828	8.0
362.30688	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.4
55.05502	23.7
57.07081	6.7
65.97713	4.8
67.05512	36.0
68.47459	5.4
69.03448	8.8
69.07069	21.3
69.73385	4.6
71.05018	6.3
71.29480	8.6
73.29553	5.1
79.05495	38.3
80.72417	5.0
81.07061	50.6
82.34758	5.5
83.08590	8.8
85.06555	12.4
91.05479	64.3
93.07047	67.8
95.04968	70.2
95.08604	28.9
97.06521	25.5
105.04443	5.9
105.07030	93.2
107.04916	5.8
107.08591	44.5
109.06537	7.3
109.10146	24.1
110.46983	5.9
112.72205	5.2
115.05452	7.1
117.07015	22.4
119.08569	100.0
119.09354	10.7
119.23658	5.5
121.06483	10.6
121.10131	31.2
128.06216	12.6
129.01814	22.5
129.07011	18.7
131.08563	57.4
133.10127	85.8
134.10414	5.7
135.11667	19.5
141.06995	13.1
142.07797	18.1
143.08592	39.7
144.09338	5.9
145.10123	77.3
147.08073	8.9
147.11708	16.3
149.09631	9.2
155.08542	14.8
156.09285	14.0
157.10121	51.5
158.10878	14.2
159.08020	7.3
159.11690	24.6
161.09618	16.7
169.10091	23.7
170.10915	6.2
171.11693	26.6
173.09674	7.1
173.13306	39.2
175.14874	7.2
181.10062	10.0
183.11678	14.9
185.08086	14.2
185.09613	6.5
185.13234	17.1
187.14771	25.7
192.09416	6.2
193.10156	9.6
194.10872	7.8
195.11719	21.6
196.12564	9.6
197.13298	9.2
199.14812	14.0
209.13237	12.6
211.14771	8.5
221.13266	12.6
223.14902	14.1
245.13306	5.8
259.14935	6.1
265.19360	8.1
360.37390	16.9
361.24976	47.5
376.24976	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	362.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50507	0.9
53.03941	1.4
55.01871	2.8
57.03434	3.9
61.02943	7.0
67.05513	1.1
69.03430	11.6
70.06613	1.4
71.04999	2.4
71.29117	0.9
73.02931	2.9
81.03432	5.1
81.07052	1.5
85.02908	48.9
86.03265	1.6
87.04469	2.2
91.03960	3.4
91.05498	1.9
95.04913	1.6
97.02901	14.0
98.97552	1.2
99.04469	2.7
109.02908	4.0
109.10192	1.1
123.04438	100.0
124.04729	2.0
127.03931	8.5
135.04404	1.4
137.06027	5.0
137.09618	1.4
138.05510	2.6
140.07111	1.0
145.04964	15.2
163.03955	3.3
163.05980	1.2
164.04178	1.6
165.05496	73.0
165.09164	8.5
166.05867	3.0
170.02707	1.8
173.07039	1.3
180.08665	5.3
182.08214	4.2
183.06572	11.8
200.09274	1.8
200.12799	1.5
201.10112	1.2
230.10440	10.5
345.10452	1.4
362.14932	1.6
362.18695	37.2
363.15860	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	362.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.1
55.05517	5.7
56.05041	3.1
56.96560	3.9
57.03432	4.2
59.51016	1.5
61.02920	3.8
67.05510	2.2
69.03435	10.7
70.32864	3.3
70.33255	3.5
70.60415	1.7
70.77292	1.5
73.02924	2.3
74.06050	1.9
80.05029	3.8
81.03425	9.5
82.06592	3.0
83.04991	2.0
84.04507	4.1
85.02907	27.0
86.06083	8.5
87.04469	6.6
91.03941	1.9
91.05479	1.9
93.05761	2.6
94.06565	8.0
96.04485	3.9
97.02887	11.1
98.06111	2.0
98.97598	9.0
99.04481	3.1
106.06571	4.7
108.04455	2.3
108.08111	9.3
109.02855	1.9
110.06053	6.2
110.97583	2.9
114.05568	2.3
116.98641	2.9
124.07601	8.0
127.03922	6.1
130.05013	3.5
134.06064	2.1
136.07581	20.1
138.05515	14.6
138.09128	2.8
140.07094	3.3
143.01939	2.0
145.04965	5.3
152.07111	1.9
154.08626	13.0
156.06554	1.7
156.10223	1.5
156.50775	1.5
158.99670	2.3
160.20955	1.5
164.07066	9.6
165.05473	1.8
166.08727	1.4
170.08122	7.4
173.65741	1.5
177.00787	2.0
182.08127	57.8
184.09703	55.8
200.09181	100.0
201.09523	4.2
219.01796	3.1
220.02037	1.9
232.24237	1.6
237.02919	4.9
303.07431	2.7
321.08606	3.7
362.14398	18.9
363.09720	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76843	0.4
52.30041	0.5
53.03946	0.7
55.01867	1.8
55.05281	0.6
55.05518	9.1
56.05038	0.9
57.03428	0.9
59.05006	0.7
59.69996	0.5
67.05518	2.3
68.05040	0.3
69.03422	0.6
69.07060	1.7
69.28793	1.5
69.29199	1.2
70.06596	0.7
71.04965	0.7
79.05502	3.8
81.03413	2.0
81.07064	3.7
83.04980	2.9
83.08625	4.1
84.04507	0.9
85.02873	0.5
85.06551	0.5
87.04456	0.4
91.05457	1.9
93.07031	2.8
94.04090	0.5
95.04959	0.9
95.08615	1.3
97.02899	1.0
97.06536	1.3
97.10178	3.7
98.22651	0.6
105.07022	1.0
107.04964	0.6
107.08603	2.7
109.06505	0.5
111.04469	0.6
111.08023	0.4
117.07015	0.8
119.03539	1.1
119.08607	0.8
121.10121	0.8
123.08067	0.5
125.09632	1.9
131.08571	0.7
135.05402	0.4
135.11714	1.3
136.06194	62.5
137.04555	0.7
137.06555	0.9
145.10133	1.8
148.06136	1.0
153.12755	1.3
163.11151	2.2
172.06186	4.5
173.06970	7.9
174.06253	0.6
174.07770	11.7
192.08710	0.5
200.05640	2.3
209.11757	0.7
214.07370	0.4
216.08887	0.5
228.08913	0.4
270.17319	0.5
298.13635	0.5
298.16666	2.3
299.10373	0.5
309.08597	0.7
326.16122	25.4
327.09781	0.4
327.16489	2.3
344.17197	16.1
345.10855	1.1
345.17456	0.7
362.18231	100.0
363.11844	1.3
363.18472	7.8
363.22888	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65866	1.0
55.01878	4.9
55.05508	5.8
55.05720	1.1
57.07079	40.8
67.05509	9.9
69.03419	1.1
69.07074	13.4
69.14738	0.9
69.42813	5.9
71.04989	0.9
71.08640	8.4
72.08160	13.5
74.09721	100.0
74.20396	1.2
75.10034	1.4
75.42040	0.9
79.05502	7.8
81.03384	0.9
81.06603	0.9
81.07053	13.6
83.08593	1.7
85.06514	3.8
86.06038	3.3
88.07619	2.0
91.05479	5.5
93.07041	13.2
95.04975	15.6
95.08604	17.6
97.06548	5.2
98.23420	1.6
99.08084	5.3
100.07661	1.2
105.07011	7.7
107.08604	11.9
109.06525	21.4
109.10167	6.7
111.11749	2.0
114.71891	1.1
117.07008	2.2
118.14696	1.1
119.08562	5.8
121.06462	2.7
121.10094	3.9
121.23412	1.1
123.08044	1.7
123.11671	1.0
125.05905	1.1
129.06999	1.3
131.08583	4.9
133.10141	7.6
135.07990	3.5
135.11661	1.9
138.12711	3.7
142.12271	6.4
145.10066	3.2
147.11636	3.8
149.02272	1.1
149.09590	2.3
149.13187	4.1
156.13774	4.1
157.10072	1.2
159.06538	1.0
159.11610	2.3
163.11105	2.1
165.12756	79.9
166.13028	3.2
168.13725	1.5
170.15324	3.5
173.13289	5.1
175.11223	4.6
175.14786	1.4
182.15344	1.2
184.13422	6.6
184.16910	2.4
191.14325	9.4
201.12677	3.4
208.16899	2.2
210.18561	7.0
229.19420	2.3
240.19478	2.3
248.20108	7.2
264.20493	1.4
264.23224	26.1
270.27832	1.3
271.20523	6.6
283.36768	1.2
289.21722	7.6
292.73413	1.0
304.96246	1.1
306.24106	1.7
344.29251	4.4
361.78799	2.8
362.23520	2.3
362.30328	39.7
363.30768	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28481	5.5
62.00934	4.9
63.43339	4.9
69.24738	33.0
69.25121	11.1
87.72450	5.1
100.33070	6.3
123.89658	5.4
151.08597	6.4
165.10210	7.4
340.34140	6.9
363.06848	100.0
364.07095	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23345	0.7
51.36968	0.7
52.44878	0.8
52.84158	0.8
56.96564	27.7
67.11054	0.7
69.61203	0.6
70.15486	0.7
70.60529	1.2
70.60851	1.2
84.96043	7.5
98.97581	100.0
110.97569	23.4
112.99146	5.2
116.98611	22.8
124.99138	2.5
126.97051	1.3
128.98607	15.1
129.02243	3.3
131.00168	2.7
134.99625	3.5
139.00688	3.2
140.98584	2.6
141.02237	2.9
143.00169	5.6
144.98080	1.8
146.99673	4.9
147.03284	1.5
149.01234	1.0
152.98643	1.7
155.00227	1.1
157.01724	6.9
158.99657	36.2
159.03285	19.0
161.00073	0.8
161.01241	3.4
163.81697	0.7
170.99670	5.0
175.02849	3.6
177.00708	23.7
177.04330	8.5
183.03365	1.9
187.02782	2.4
189.00786	3.7
195.01749	1.7
201.00684	4.8
201.04341	9.4
205.03767	1.0
215.06036	0.9
219.01764	51.5
219.05367	2.5
220.02084	1.1
225.04382	1.4
231.05327	1.1
235.02834	0.8
237.02792	46.5
238.03104	1.2
243.05327	5.9
254.26341	0.8
255.03922	2.2
260.04431	0.9
273.06302	0.8
285.06369	0.8
291.07495	1.6
303.07489	70.4
304.07922	3.6
321.08566	78.6
322.09125	4.2
344.10074	1.3
363.09576	14.6
364.09738	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.096
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	31.1
66.11504	0.6
69.03426	1.4
70.08990	0.8
70.09339	2.0
71.95247	1.3
82.31696	0.6
82.48232	0.7
84.96032	8.9
85.02887	1.3
97.02910	1.0
97.96797	1.0
98.97586	100.0
110.97570	29.3
112.99139	7.4
116.98632	23.2
124.99136	2.7
126.97063	1.4
127.00716	0.8
128.98604	18.9
129.02231	4.1
131.00168	3.3
131.39125	0.9
134.99628	3.9
136.99062	1.5
139.00696	4.8
140.98584	3.2
141.02245	3.2
143.00166	5.9
144.98103	2.3
145.01732	1.5
146.99640	4.6
147.03290	1.6
149.01248	1.0
152.98621	1.7
155.00121	1.6
157.01733	10.9
158.99658	32.5
159.03293	24.5
159.04625	1.2
159.99977	0.8
161.01268	5.0
162.99153	1.7
163.02663	1.8
170.99683	7.0
171.03279	0.9
175.02812	4.5
177.00720	24.0
177.04335	10.3
179.02148	0.7
183.03293	2.2
187.02788	1.8
189.00693	5.1
195.01770	1.0
197.04868	0.7
198.81180	0.7
201.00690	7.4
201.04366	10.8
205.03951	1.2
213.04428	1.6
215.05934	1.7
219.01773	50.0
219.05403	2.6
220.02217	2.1
225.04308	1.5
229.03809	1.1
237.02806	49.5
238.03194	1.2
243.05432	5.9
254.03166	1.0
255.03735	1.5
261.06659	1.0
285.06284	1.8
291.07425	1.4
303.07507	75.7
304.07916	3.2
321.08569	88.7
322.08923	4.1
344.10217	1.7
363.09546	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12858	1.1
51.77760	1.1
53.41078	1.1
55.01871	1.5
55.05512	3.7
55.48401	1.1
65.97964	1.1
67.05500	2.8
68.69859	1.1
69.03435	2.7
69.74857	1.1
71.01369	1.5
71.04989	3.0
75.93967	1.1
79.05504	2.7
81.03405	1.3
81.07059	1.3
83.08621	1.9
85.02891	1.4
88.81134	1.0
89.02425	1.4
91.05480	4.2
93.07058	1.9
97.02885	1.1
97.10207	1.5
98.23464	2.7
105.07019	3.1
107.04951	2.3
107.08611	1.8
110.30368	1.1
119.08609	4.4
129.07019	1.7
133.10100	1.6
134.05995	1.6
136.06184	22.6
137.06633	7.4
147.08018	1.7
148.10094	1.2
154.06511	1.3
156.08105	4.1
158.09601	1.2
160.03920	3.2
161.04741	1.9
161.05963	1.4
161.09627	3.3
162.05498	2.8
162.18710	1.2
170.13164	1.1
173.06963	2.6
173.10750	3.0
174.07634	3.4
174.09113	2.7
178.04938	9.7
179.10643	2.1
180.08174	1.7
182.08365	1.4
183.09193	3.2
184.07605	5.6
186.07841	2.4
187.05028	3.9
187.08667	1.2
188.05881	1.3
189.09099	2.5
193.89430	1.1
197.07077	3.2
199.08560	1.4
201.10220	10.8
207.09232	1.5
211.08571	5.6
212.07040	5.3
212.08914	1.4
215.08211	1.2
225.06557	3.4
225.10149	2.9
227.08261	2.1
227.11810	1.8
229.09714	44.0
230.10136	2.8
235.08768	3.3
239.08177	4.8
240.06586	2.6
241.09879	1.2
247.10770	2.0
253.06065	9.5
253.09769	6.4
255.11386	1.8
257.06812	1.0
257.09192	28.3
258.09637	1.9
259.10806	1.7
263.08221	5.0
267.07657	3.4
271.07224	1.9
271.10507	1.5
275.10217	12.4
276.10733	1.2
281.09177	15.6
283.10767	3.9
285.08643	7.5
291.07608	3.1
299.10373	3.2
301.11752	2.5
303.09656	4.8
309.08612	9.7
326.16055	1.9
327.09885	7.2
327.16418	12.0
345.10794	49.9
345.17166	7.5
346.11206	2.1
362.18301	2.3
363.11832	100.0
363.18539	39.5
364.12024	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	363.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
55.05494	0.6
67.05500	1.1
68.05028	1.1
69.03417	1.6
71.01352	3.2
71.04984	0.6
79.05498	0.7
81.03452	0.4
85.02914	0.5
89.02388	1.4
94.06570	0.9
95.04974	1.1
96.04467	1.3
98.06056	1.4
104.04991	0.5
105.07063	0.5
106.06541	1.0
115.05388	0.6
116.05006	0.6
118.06527	0.5
120.08043	0.8
122.06001	0.6
128.06180	0.6
129.06979	2.2
130.06511	1.0
131.06052	0.6
131.08549	0.8
132.08032	0.7
133.05272	0.5
134.06009	4.1
136.06177	0.8
138.05469	1.1
142.06546	0.8
144.08055	1.2
145.07573	0.9
146.05966	0.6
146.09666	1.3
148.03909	1.0
148.07622	0.5
152.03459	0.5
154.06555	0.5
156.08072	5.0
158.06009	0.7
158.08371	1.3
158.09657	1.4
159.05499	1.2
159.09152	2.0
160.03929	4.7
160.07504	1.1
161.04703	2.0
162.05521	3.7
166.06435	0.5
167.07309	1.1
168.06807	0.8
168.08092	1.1
170.05994	0.7
170.09737	0.7
172.07581	0.7
173.07126	1.1
173.10725	4.2
174.04182	0.5
174.05525	0.8
174.09131	1.9
178.04985	9.6
179.05902	0.7
180.08076	1.2
182.09726	0.6
183.09195	3.7
184.07593	7.8
186.05544	0.7
186.07848	1.8
186.09163	1.7
187.05045	5.2
187.08699	1.7
188.05655	0.9
188.07169	1.1
192.02864	0.4
192.06805	0.6
195.09241	1.1
197.07066	2.8
197.10674	0.7
198.09219	1.3
199.08727	1.7
201.06601	1.6
201.10237	15.8
202.08678	1.3
204.10164	0.9
205.06133	1.1
205.09761	1.1
206.08357	0.9
207.09154	2.7
208.07686	1.0
209.10687	0.9
210.07816	1.4
211.08652	6.8
212.07062	5.5
212.09399	1.5
213.06662	1.5
213.10252	1.8
214.07123	0.7
214.08983	0.6
215.08110	1.0
217.07693	1.0
219.07590	2.0
225.06647	5.0
225.10225	5.5
226.08705	0.9
227.08218	1.4
227.11725	1.3
229.09727	52.2
230.08104	1.6
230.10112	2.7
233.05649	0.5
235.08704	4.1
236.07092	0.6
237.10167	0.5
238.08736	0.8
239.08141	7.3
240.06564	2.4
240.08908	1.1
241.06093	0.9
241.09663	1.0
243.07729	1.2
247.10759	3.8
250.07495	0.6
253.06097	12.9
253.09743	9.0
255.07687	1.6
255.11230	2.2
256.08261	0.5
257.09207	37.3
258.07361	0.7
258.09668	2.0
259.07175	1.8
259.10757	1.6
263.08170	6.4
264.09094	0.6
266.08066	2.0
267.07645	4.6
268.08392	0.6
271.07150	2.1
271.10742	1.4
273.12366	0.9
275.10260	17.6
276.10645	0.7
281.09213	23.8
282.09601	1.5
283.07773	0.7
283.10757	5.1
285.08694	10.5
286.09106	0.6
291.07666	3.6
299.10287	3.9
301.11792	3.7
303.09750	5.7
309.08688	12.3
310.09073	1.3
317.11310	1.0
327.09753	11.8
328.10040	1.1
345.10800	54.2
346.11188	3.0
363.11856	100.0
364.12158	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	363.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.4
56.96550	1.5
57.03421	1.6
61.02913	4.3
64.90849	1.0
65.03941	1.9
67.05506	17.3
69.03437	5.6
69.07034	1.2
69.19698	7.3
70.06607	1.5
71.04999	1.4
73.02919	2.3
74.64032	1.2
81.03411	5.0
81.07061	5.5
83.04941	1.4
85.02903	16.6
95.04955	8.8
97.02882	4.0
98.97576	4.4
101.06016	1.2
106.06537	1.1
109.02838	2.0
109.06464	1.7
116.89863	1.0
116.98621	2.8
121.06490	1.2
127.03904	3.6
127.07557	1.4
137.05954	4.8
138.05486	70.8
138.06316	3.4
139.05779	1.5
140.07053	1.3
142.21387	1.2
145.04958	3.7
158.99677	1.4
166.04994	100.0
167.05304	2.5
169.09773	1.5
170.02708	7.6
180.08687	2.1
184.06035	34.2
185.06372	1.4
186.06621	1.2
201.01656	2.9
202.05334	1.7
236.15002	1.4
237.02744	1.8
257.09079	1.5
268.05954	2.7
285.08835	1.6
310.07031	2.0
321.08417	1.7
327.09589	1.2
345.10776	4.4
363.06836	1.9
363.11490	3.9
363.16074	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	363.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
56.96571	0.9
59.58324	0.3
62.20415	0.3
66.37733	0.3
67.05501	1.2
68.33709	0.3
68.79976	0.3
69.03423	0.8
70.91243	0.4
81.03413	0.5
83.04990	0.4
83.47321	0.3
85.02915	1.2
85.06532	0.3
91.05446	0.3
95.04998	0.7
97.02918	0.5
98.97572	2.3
107.33770	0.3
110.97453	0.4
116.98613	0.5
118.64049	0.3
127.03893	0.4
128.98579	0.5
131.22350	0.3
137.05954	0.5
138.05501	3.3
139.52180	0.4
140.07074	0.4
146.99702	0.4
152.07042	0.8
157.01756	0.4
158.99672	0.3
159.03288	0.8
165.04277	0.3
166.05000	4.3
177.00694	0.7
184.06007	1.6
201.04471	0.4
201.10995	5.9
201.12753	0.5
219.01730	0.9
237.02795	1.0
303.07535	1.5
310.07141	0.4
321.08636	2.2
327.09631	0.6
345.10806	1.4
362.40753	0.3
363.16223	100.0
364.16547	5.0
379.96677	0.3
389.76129	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.3
54.52256	1.9
55.05499	1.9
57.50463	1.8
64.16809	2.1
68.14373	2.1
69.03410	6.6
69.07057	7.8
70.06564	2.1
71.05003	1.7
71.29071	3.8
80.05000	4.1
81.02992	2.9
81.03423	35.0
81.07044	2.9
83.04980	2.3
85.02895	13.7
87.00793	3.7
87.04453	2.3
91.05463	3.4
93.06986	2.0
95.04935	8.3
95.06080	2.2
97.02867	5.9
98.97581	6.2
99.04445	3.1
103.04756	1.8
105.01888	3.2
109.02858	3.5
111.59568	2.0
116.98607	3.8
123.04438	14.6
127.03924	9.5
135.04433	3.1
137.05920	2.7
138.05457	3.9
140.07016	5.6
147.04401	2.5
151.03923	2.9
159.02718	2.1
166.05899	2.2
166.08629	3.6
166.85692	1.8
170.02675	6.6
177.05522	2.4
182.08076	2.0
189.03902	2.7
189.05385	2.3
201.10924	7.1
208.06822	2.2
230.05524	4.1
230.10349	2.4
231.10599	6.0
309.80328	2.0
345.10788	4.4
345.14508	2.3
363.11462	5.9
363.16061	100.0
364.11081	3.6
364.16479	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	363.176
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	22.6
69.07077	51.9
70.77582	47.9
80.05048	25.7
80.64449	21.4
81.03417	47.7
81.59542	24.6
85.02914	26.0
87.04481	25.4
91.05488	27.8
115.54900	19.0
123.04456	31.4
140.07063	48.6
141.63773	21.2
144.96425	22.5
145.05049	24.1
151.03918	36.3
166.08665	100.0
222.14058	21.8
230.10416	29.8
231.10762	62.8
313.47470	24.3
363.11612	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	363.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.0
55.01877	3.0
55.05514	18.1
57.03438	6.0
57.07084	24.7
57.18285	2.6
60.01548	2.4
63.44643	2.1
65.03932	6.3
67.05508	100.0
69.07076	14.9
71.08631	13.3
71.28773	3.2
74.69720	2.1
79.05502	17.4
81.03419	9.5
81.07061	63.7
83.04965	8.8
83.08630	9.2
85.06548	47.7
85.10172	6.5
89.06034	29.1
91.05468	17.5
93.07045	35.9
95.04966	3.5
95.08613	57.0
97.06544	4.8
97.10172	3.1
105.07031	20.4
107.08581	18.6
109.06510	2.5
109.10161	29.2
111.08088	3.5
111.11703	3.0
117.06984	4.7
119.08588	11.6
121.06509	3.9
121.10152	14.9
123.04395	4.0
123.11703	14.3
131.08577	10.2
133.08609	7.2
133.10103	11.7
135.11694	11.8
137.13277	8.1
143.08551	3.8
145.10138	7.9
147.11674	6.5
149.09671	3.0
149.13232	8.1
158.39058	2.8
159.11792	4.5
161.13293	6.3
163.14787	3.2
163.47139	2.1
173.13211	5.0
175.14880	2.9
181.04936	2.7
195.12187	7.2
231.96844	2.7
243.21094	3.3
261.22171	14.0
279.23196	19.0
322.91675	2.6
327.27261	3.4
345.27762	6.5
363.15964	3.0
363.25391	5.4
363.28897	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	364.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51343	1.2
53.03959	1.8
55.01877	1.5
55.05507	1.4
56.96565	38.0
57.03441	2.7
61.02927	3.4
67.05508	1.5
69.03429	23.1
69.07064	5.1
70.03738	1.5
70.06601	2.1
70.42281	4.0
71.95311	1.5
73.02917	3.6
73.91779	1.1
81.03420	12.6
82.03768	2.2
83.04960	2.1
84.96052	8.4
85.02900	16.0
85.06568	3.3
86.06066	1.9
87.04467	2.3
91.03963	1.7
97.02883	7.8
98.06067	1.5
98.97583	90.3
99.04455	8.7
99.97914	13.2
101.00895	3.5
103.00668	1.3
109.02923	1.4
110.97575	22.1
111.97915	5.4
112.99120	2.8
113.00882	1.3
113.06023	1.8
116.98624	27.7
117.98991	3.3
119.01923	5.3
120.02150	1.4
121.01656	3.7
124.99145	2.1
127.03920	5.1
127.30533	1.6
128.98611	17.0
129.98923	5.0
131.00201	2.8
131.01918	3.0
132.00494	1.9
134.99655	7.4
139.00667	3.3
140.07068	5.2
140.98579	3.0
141.02252	2.0
142.01733	1.4
143.00171	5.6
143.01907	5.4
144.00471	1.7
144.02089	1.6
144.05261	3.3
144.55373	1.4
144.98074	1.7
145.01680	4.1
145.03546	2.3
145.04907	2.0
146.02083	2.6
146.98582	1.1
146.99643	6.6
147.03314	2.9
147.04358	1.3
152.07031	2.2
152.98526	1.3
153.05798	4.8
155.00186	2.5
155.01883	2.6
157.01656	6.1
158.02136	2.5
158.99658	25.0
159.03290	16.0
159.99979	9.6
160.03694	9.3
161.01268	6.8
161.02942	6.3
161.04584	1.3
161.06673	1.8
162.01653	2.0
162.03008	2.7
162.99173	1.6
163.02687	8.8
164.03102	5.1
168.03732	1.5
170.99681	3.4
171.05020	1.8
172.00017	2.7
173.01369	3.0
173.02945	3.9
175.02811	3.8
176.03128	1.3
176.48485	1.3
177.00711	19.9
177.04326	7.8
178.01089	9.8
178.04727	4.9
180.06499	1.6
181.03435	1.6
183.03242	2.3
183.05034	1.2
184.03587	1.4
184.09732	2.7
185.02905	2.5
185.04356	2.6
185.06593	2.0
186.03241	1.3
187.02855	1.5
188.02933	1.2
189.00746	3.8
190.01065	2.2
190.04810	1.2
195.01682	1.6
195.05086	1.3
197.01248	2.3
197.06717	1.5
199.04500	2.2
201.00728	3.2
201.04324	7.7
202.01068	2.6
202.04655	8.9
202.10793	1.2
203.05516	6.6
205.03818	4.8
206.04178	5.2
208.54762	1.5
210.04407	2.1
213.04225	1.8
215.05843	1.8
219.01791	33.6
219.05190	2.2
220.02106	20.8
221.05157	4.5
222.05276	2.4
223.04924	4.1
224.05176	3.8
225.07903	15.3
225.58125	2.3
226.04314	2.4
227.04146	1.5
228.05594	2.5
233.06662	5.8
237.02818	37.5
238.03154	33.5
239.03139	3.1
242.03423	4.4
243.05470	2.6
244.05760	3.8
245.05054	11.1
254.03523	7.1
255.03922	3.9
256.04272	2.4
257.56635	1.8
260.04468	1.9
261.61108	1.5
263.06155	2.2
266.06250	1.4
267.07547	1.7
272.04492	5.7
274.08594	1.3
276.10114	1.6
287.09689	1.7
292.08029	1.6
296.04352	1.5
301.09094	9.1
303.07483	14.8
304.07840	79.9
305.07886	5.2
305.11111	1.8
314.05469	1.5
321.08578	20.1
322.08887	100.0
323.08878	6.0
333.11591	14.0
338.59662	2.1
340.09973	1.5
345.10095	1.8
364.09982	19.9
365.10461	13.2
365.14279	11.6
374.07504	1.8
382.11127	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	9.5
63.25721	9.9
67.05511	16.9
69.03426	11.3
69.07069	10.9
71.29916	10.8
79.05500	38.6
81.07068	29.3
83.04994	13.0
85.02901	19.9
91.05496	24.5
93.07058	46.0
95.08633	12.8
105.07085	23.2
107.08601	100.0
109.10170	13.8
119.86224	9.8
121.10154	45.8
131.08577	12.5
136.06184	29.2
139.11150	11.7
147.04387	8.9
149.09642	44.2
167.10645	63.6
180.10597	9.0
224.79428	8.6
260.02103	10.0
326.87796	8.4
364.16220	15.5
365.11102	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	364.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09297	5.9
50.91187	6.3
51.02986	5.8
67.05521	7.2
69.10272	58.8
79.05489	34.3
81.03410	11.6
81.07078	7.8
83.04973	7.0
85.02910	15.8
91.05512	13.3
93.07042	14.8
98.22614	10.0
105.07039	15.1
107.04993	7.5
107.08598	100.0
113.85110	7.1
121.10159	35.9
136.06213	19.2
146.06023	9.7
149.09647	37.0
167.10672	39.7
168.11035	8.3
180.08665	7.1
215.54282	7.7
220.54457	8.1
290.05392	7.7
337.88757	8.0
364.12427	9.1
364.16516	19.4
365.11044	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	365.0637
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	64.3
69.03414	5.6
69.07049	6.5
71.04989	3.3
79.43909	2.3
81.03423	16.7
81.07037	2.9
84.96058	10.4
85.02898	6.4
91.05474	3.9
95.04974	3.3
96.04459	2.4
98.97588	48.8
107.08553	4.9
109.02879	2.5
110.97578	19.6
112.99120	2.6
116.98630	23.3
117.84540	2.0
120.08047	3.0
123.04443	5.4
124.99119	3.6
125.09618	2.7
127.03822	3.1
128.98601	20.2
131.00175	5.1
134.99605	7.9
136.06168	8.1
140.07100	11.1
143.00125	7.5
146.99606	9.7
147.04411	3.5
158.99628	4.8
161.01225	11.6
164.02380	2.0
167.10704	2.7
172.04221	5.9
177.00713	5.1
179.02197	3.4
180.06548	2.7
185.04185	3.2
190.10864	14.7
191.00171	3.2
195.03232	9.5
200.07141	2.7
201.00693	4.0
203.05238	5.8
209.01253	4.7
213.04306	9.0
217.09557	4.0
219.01735	17.5
221.01236	5.8
234.13504	19.0
237.02808	31.3
239.02278	37.1
245.09283	3.2
255.03789	4.4
257.03329	20.3
263.02155	3.7
305.03171	2.6
317.03174	3.9
323.04556	3.3
333.10577	6.0
335.04428	3.0
343.51563	1.9
365.05463	100.0
365.16922	4.9
366.05811	9.4
366.10547	2.4
366.17249	6.6
383.06372	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	365.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.9
55.05487	2.5
56.96566	52.3
61.45464	1.7
62.37239	1.8
66.60830	1.7
67.05482	3.9
69.03446	3.8
69.07063	17.5
70.07417	1.8
71.01344	7.9
71.05011	2.5
71.28731	3.5
73.86720	1.9
81.03418	18.1
81.07059	3.8
83.04968	2.5
84.96052	9.2
89.02386	5.5
91.05461	2.3
93.07008	2.4
95.04971	6.3
96.04493	1.7
97.02893	2.1
98.97585	52.2
99.04463	2.2
105.07011	2.1
106.88428	1.8
107.04984	3.2
109.02844	1.9
110.97582	18.1
112.99095	3.4
116.98647	16.6
122.05975	1.8
123.04421	7.2
124.99097	2.5
127.02110	2.0
128.98627	17.0
131.00169	4.4
134.99637	7.4
140.07054	19.2
141.07401	3.9
143.00110	5.5
144.08084	3.0
146.99644	8.0
147.04379	2.9
151.03940	2.4
158.99684	2.7
161.01213	9.2
162.99146	1.9
170.99593	5.0
172.04282	24.7
172.07533	7.1
176.07115	2.7
177.00653	5.3
179.02330	3.1
180.06572	2.5
185.04160	3.5
189.00665	3.7
189.10197	2.7
190.10809	2.5
191.00256	2.2
195.03299	7.2
200.07063	10.0
201.00652	3.4
202.07341	6.2
203.05249	5.4
209.01180	4.4
213.04285	8.8
217.09729	20.8
219.01802	17.7
221.01152	5.7
228.06599	5.9
234.13506	2.6
237.02791	26.9
239.02242	34.0
244.06357	5.0
245.09181	24.3
257.03354	17.0
263.02322	2.7
281.03281	4.6
294.38718	1.6
305.03113	2.4
333.10822	31.6
347.12228	3.0
365.05466	100.0
365.13171	5.8
365.21255	3.1
366.05878	5.7
383.02747	1.7
383.06589	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	365.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60518	0.7
67.69604	0.8
69.63718	3.4
72.08433	0.7
98.23286	0.9
143.01906	0.7
145.03479	0.6
150.40723	0.7
185.04242	26.7
186.04414	0.8
203.05276	47.1
204.05688	1.1
245.05130	2.1
365.10574	100.0
366.11020	5.8
384.18250	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
66.62468	0.7
66.84143	0.6
69.76566	2.4
69.76942	1.2
93.16594	0.5
108.58949	0.6
143.01846	0.7
168.95015	0.6
169.07622	0.5
173.03008	0.8
185.04219	26.0
203.05270	58.2
204.05695	1.3
245.05130	1.4
250.36053	0.5
329.35342	0.7
365.10556	100.0
366.11017	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
66.62477	0.5
69.86256	1.3
74.37172	0.3
98.17102	0.3
98.23282	0.4
107.76674	0.3
133.68674	0.4
185.04214	30.9
186.04494	1.0
203.05269	63.6
204.05612	1.7
209.00247	0.4
341.65042	0.4
360.46732	0.4
365.10544	100.0
366.10913	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	365.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	23.7
71.19616	1.1
74.97601	1.5
75.64371	0.9
84.25276	1.0
84.96039	7.9
86.97568	1.6
97.02881	1.2
98.97585	51.9
110.97569	27.1
112.99113	5.6
115.72022	1.0
116.98631	16.4
124.99143	2.5
126.97053	1.6
128.98615	21.5
129.02199	2.0
131.00175	2.8
134.99655	3.3
135.31648	1.0
140.07013	1.5
140.98616	3.1
141.02242	3.8
143.00162	5.2
144.98128	3.4
146.99692	6.1
147.03270	1.9
152.98604	1.9
158.99660	10.0
159.03281	14.8
161.01221	5.5
161.04861	16.6
162.99113	1.3
170.99634	4.6
177.00688	9.2
177.04346	10.9
179.02318	1.3
179.05910	15.7
185.04196	12.1
189.00658	4.8
189.04396	2.0
195.01820	1.1
197.06998	1.3
201.00691	5.1
201.04239	1.1
203.05302	29.4
207.05444	2.4
215.05907	1.8
219.01764	33.6
221.07028	7.8
227.05907	1.3
231.05421	1.7
237.02806	54.1
239.06017	1.2
245.06973	4.3
255.03902	4.2
257.06985	1.2
258.27393	1.0
262.06277	1.0
263.08063	2.2
305.09067	77.5
306.09448	2.7
323.10126	100.0
324.10513	5.9
346.11636	1.6
365.10681	60.9
366.11148	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	365.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.5
53.03936	9.7
54.21426	2.6
55.01873	16.2
55.05509	20.8
55.36578	2.2
57.03435	5.2
57.07044	3.5
59.04986	2.9
61.02910	6.4
65.03938	4.1
67.05504	17.9
68.99792	11.3
69.03427	99.3
69.07066	16.8
70.42990	6.2
71.04994	28.0
73.02924	3.7
79.05489	34.0
81.03417	38.3
81.07059	25.7
83.01339	7.0
83.04980	11.4
83.08611	3.9
85.02893	16.2
85.06548	3.0
87.00836	26.4
91.05478	53.5
93.03406	2.7
93.07041	44.4
95.01329	3.9
95.04958	21.7
95.08617	18.3
97.02889	43.8
97.06524	6.9
99.04423	5.0
99.08083	4.8
103.05467	4.3
105.01883	5.1
105.07023	70.9
105.11792	2.3
107.04951	41.8
107.08590	39.2
109.02885	5.6
109.06519	15.6
109.10148	26.9
111.04428	4.0
113.06052	2.7
115.03921	19.4
115.05477	9.0
116.06215	4.0
117.01876	5.8
117.07014	27.8
119.04945	15.8
119.07782	3.5
119.08573	44.5
121.02865	2.7
121.06499	28.1
121.10138	29.8
122.48830	2.0
122.49788	2.5
123.04436	13.7
123.08062	11.5
123.11694	5.3
125.05952	2.7
125.09621	5.1
127.03951	4.5
128.06213	9.6
129.01862	4.8
129.06999	14.2
130.07777	9.3
131.04927	6.3
131.08577	37.6
133.02507	2.3
133.06502	16.6
133.10127	28.3
135.04414	16.7
135.08049	28.9
135.11665	17.9
137.05969	9.2
137.09618	7.9
139.03894	5.2
141.06981	5.6
142.07762	7.9
143.08582	19.8
144.09297	5.4
145.06480	21.3
145.10107	39.8
147.08066	27.4
147.11696	23.8
149.05965	8.0
149.09560	11.8
151.07529	5.5
151.11160	10.7
153.07074	3.0
153.09065	11.4
155.08603	13.6
156.09303	6.9
157.06467	8.4
157.10106	21.0
158.07248	6.2
159.02916	12.5
159.08032	22.4
159.11678	24.1
160.08740	4.4
161.06000	4.0
161.09673	13.8
161.13260	11.5
163.07533	24.7
163.11188	12.8
165.12750	8.5
167.08548	3.8
169.10071	9.2
171.08035	21.9
171.11681	8.6
172.08850	6.0
173.09607	38.2
173.13231	5.9
175.07591	15.6
175.11183	28.1
177.09134	9.6
177.11313	4.0
177.12727	32.5
179.10638	3.6
181.08623	2.3
182.10918	6.1
183.08029	6.0
183.11679	5.8
185.09605	4.7
185.13185	3.3
187.07639	4.6
187.11212	19.1
187.14793	4.5
189.09128	17.3
189.12746	29.4
191.06985	6.0
191.10603	15.8
191.14348	3.2
193.12268	6.6
197.13269	9.6
199.11281	6.1
201.03928	7.6
201.09114	6.4
201.12746	18.2
203.10751	3.0
203.14275	3.6
205.08669	2.8
205.12228	37.8
207.13776	3.2
210.10556	3.1
213.12779	4.8
215.14360	19.3
217.12231	8.7
219.13748	12.9
225.12758	14.6
231.13840	6.2
233.15308	24.6
243.13789	70.2
244.14265	3.8
261.14859	100.0
262.15140	5.5
279.15875	11.9
303.15814	8.4
321.17001	13.9
329.13910	3.5
347.14905	31.5
365.11545	3.3
365.15912	72.0
366.16238	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.23
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78931	0.6
55.01865	1.0
55.05503	1.7
57.03438	1.2
67.05503	2.6
69.07066	1.7
79.05484	2.5
81.07050	3.2
83.04990	0.9
85.06567	1.0
85.76968	0.6
91.05478	3.1
93.07037	2.3
95.04941	1.7
95.08598	2.0
97.06536	0.8
105.07037	2.2
105.40372	0.6
107.04952	1.0
107.08605	1.6
109.01863	0.7
109.06523	1.0
109.10165	1.1
113.05978	0.9
117.07047	0.8
119.08575	1.2
121.06480	0.7
121.10158	0.5
131.08598	1.1
133.06505	1.1
133.10104	1.8
135.08051	0.9
145.10130	0.8
151.11162	1.0
161.09592	1.1
168.14586	0.6
195.09883	0.8
205.08420	1.9
228.72902	0.9
235.17598	0.5
255.17451	0.7
273.18494	1.9
291.19464	1.8
339.56525	0.6
347.22058	0.6
365.22980	100.0
366.23343	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2316
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
50.56537	0.8
53.03954	1.6
55.01865	3.1
55.05513	9.3
57.03437	17.3
57.07063	1.6
65.03938	1.0
67.05508	20.8
69.03421	3.6
69.07071	11.2
69.87219	1.5
69.87608	2.2
71.05004	1.8
71.08652	1.1
76.37021	0.8
79.05502	14.4
81.03400	2.2
81.07054	13.8
83.04988	3.0
83.08627	2.7
85.06548	10.4
91.05484	12.3
93.07042	11.5
95.04971	18.1
95.08613	7.9
97.02906	1.5
97.06525	3.9
97.10162	4.4
99.08096	1.0
105.07027	6.8
107.04939	4.5
107.08567	6.6
109.06506	15.4
109.10150	3.9
113.06004	24.1
117.07021	4.6
119.08582	6.9
121.06504	3.1
121.10136	1.8
123.08104	1.0
125.09643	3.0
127.07539	2.4
129.06984	1.6
131.08572	7.4
132.07076	1.1
133.06477	2.0
133.10120	3.9
135.08034	11.4
135.11691	2.3
137.09604	2.5
138.14864	1.0
143.08574	2.1
143.10849	0.9
145.06509	1.3
145.10120	3.5
147.08020	2.4
147.11713	2.5
148.39828	0.9
149.09604	2.5
149.13300	1.3
153.09106	0.9
153.90546	1.1
157.10118	2.0
159.11714	2.0
161.09619	3.2
162.48558	1.0
163.11249	1.3
165.09146	2.5
171.11699	1.8
175.11208	1.9
177.05708	0.9
177.12721	0.9
189.11218	1.4
194.50952	0.9
195.13971	1.0
199.14859	2.3
201.12691	1.2
205.08371	2.0
217.15910	3.2
223.13332	2.6
227.17859	1.1
255.17578	1.2
273.18478	8.8
291.19516	24.4
292.19791	2.0
347.21964	1.1
365.23016	100.0
366.23431	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	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.4
55.01879	22.0
55.05508	37.9
57.03436	29.6
57.07069	3.6
59.10136	2.6
61.73294	3.3
65.03936	4.8
67.05506	100.0
69.03428	9.1
69.07065	26.4
69.82071	13.0
70.06584	3.1
71.04987	8.8
76.59839	2.8
79.05497	71.3
81.03404	15.5
81.07050	92.3
83.04978	24.7
83.08620	13.2
85.06557	6.4
91.05483	90.9
93.07046	73.4
95.04966	27.3
95.08604	37.6
97.02884	4.3
97.06525	19.0
97.10172	3.7
105.07028	77.0
107.04959	29.0
107.08594	62.8
109.06532	18.0
109.10155	44.6
111.04430	6.6
111.08093	9.2
113.05990	4.5
114.83013	2.9
115.05418	4.4
115.62093	2.7
117.07037	22.8
119.08572	29.6
121.06517	13.4
121.10153	27.0
122.41286	3.0
123.04464	5.1
123.08080	13.6
123.11702	10.2
125.05907	3.4
125.09657	3.0
128.06194	4.2
129.06989	10.4
131.08566	33.2
133.06474	21.0
133.10123	82.4
134.10460	5.5
135.08049	34.2
135.11705	12.1
137.05931	4.3
137.09607	10.1
139.07550	8.0
142.07791	3.4
143.08578	12.2
145.06451	5.2
145.10107	16.8
147.08063	7.1
147.11748	11.2
149.09610	29.7
151.11182	40.8
157.10054	5.8
159.08046	10.7
159.11691	5.0
161.09662	17.7
161.13237	4.5
163.11143	5.8
167.10698	3.5
169.10139	4.0
169.12241	4.8
171.11688	8.5
173.09760	3.4
175.11218	10.0
177.09129	12.2
177.12631	2.8
185.13321	4.8
187.11165	3.5
189.12752	5.1
207.11749	2.7
217.15959	3.6
227.17896	3.5
245.18959	15.0
251.12927	4.8
253.14302	22.1
255.17474	3.7
263.20020	9.5
269.13895	6.7
273.18530	42.8
291.19611	39.8
292.19962	3.2
302.29486	4.3
347.22348	5.0
364.33432	11.1
365.10358	6.6
365.23251	60.3
365.27744	4.1
365.33508	13.1
366.23376	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.1
55.01872	6.9
55.05510	28.9
57.03188	1.3
57.03437	11.4
59.04987	1.7
63.12996	0.8
65.03944	1.4
67.04335	0.7
67.05505	32.2
69.03431	14.9
69.07065	45.7
70.07426	1.2
71.04991	2.1
79.05492	28.5
81.03410	5.5
81.07052	24.5
82.45228	0.8
83.05004	4.5
83.08620	11.0
85.77866	0.8
91.05476	16.0
93.07037	21.7
95.04960	7.1
95.08602	12.4
97.02887	15.0
97.06519	3.8
97.10163	17.0
98.23469	1.9
103.03910	1.1
105.07032	13.1
107.04944	5.2
107.08594	17.1
109.06498	3.9
109.10150	10.4
111.08083	2.9
115.05412	1.2
117.07005	6.5
119.04958	1.6
119.08572	11.5
121.06498	3.0
121.10135	5.4
123.08081	3.9
123.11643	1.0
125.09633	13.4
128.06229	1.0
129.06999	2.4
130.07782	1.0
131.08546	7.0
133.06493	1.9
133.10130	6.1
135.08083	4.1
135.11719	2.6
137.09608	3.3
139.81847	0.9
143.08554	2.6
145.10088	5.0
147.08023	6.0
147.11662	3.2
149.09622	1.8
149.13234	2.6
151.94615	1.0
153.09067	1.5
157.10095	2.6
159.08099	1.6
159.11687	3.2
161.09616	2.8
161.13292	0.9
163.11156	1.9
165.09117	1.9
165.45689	1.0
169.12170	0.9
171.10258	1.1
171.11618	1.8
173.11758	1.1
175.11192	2.1
177.12753	2.3
185.13420	0.9
187.39070	0.9
189.11238	6.7
195.13831	2.3
205.12271	2.7
214.46490	1.0
223.13283	34.1
224.13638	1.6
224.19414	0.9
245.19077	2.5
248.55638	0.9
255.17279	1.5
263.19940	1.1
273.18463	13.8
273.28320	1.0
291.19525	100.0
292.19928	6.1
365.23129	66.6
366.23495	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83704	2.0
53.03944	2.9
55.01872	9.0
55.05514	35.6
55.93027	2.0
57.03436	17.2
58.40563	2.0
67.05183	3.8
67.05509	42.2
69.03426	10.6
69.07070	63.2
71.04995	4.7
71.29654	3.2
79.05497	38.2
81.03413	8.0
81.07061	34.7
81.75177	2.1
83.04970	7.0
83.08638	15.9
83.39743	2.2
85.06534	2.3
91.05481	23.9
92.50849	2.2
93.07044	30.1
95.04983	12.1
95.08608	17.1
96.17923	2.5
97.02890	12.5
97.06523	7.5
97.10181	16.6
99.08104	3.9
105.07037	21.0
107.04953	11.8
107.08595	22.7
109.06516	5.7
109.10149	13.3
111.04417	2.8
111.08082	5.2
117.06331	2.2
117.07001	11.0
119.08585	20.2
121.06476	5.6
121.10112	7.4
123.08096	5.6
125.09604	11.6
129.07028	4.1
131.08556	11.0
133.06532	4.9
133.10118	9.4
135.08115	12.0
135.11746	5.4
137.09636	6.3
139.63066	2.1
143.08578	3.6
145.06482	2.9
145.10159	11.8
147.08073	8.1
147.11710	7.4
149.09636	4.8
149.13232	4.2
153.09097	3.1
157.10117	4.2
159.08157	2.4
159.11679	6.9
161.09621	5.3
163.11131	4.3
167.10686	2.7
169.42459	2.1
171.11665	5.0
175.11197	3.9
177.12740	3.6
189.11211	6.5
193.12332	2.6
195.13741	4.0
198.25128	2.5
205.12190	4.2
206.81583	2.5
223.13309	24.2
230.25089	2.5
242.56714	2.6
255.17554	3.8
273.18524	22.6
291.19553	100.0
292.19757	6.2
347.59155	2.8
365.10309	4.6
365.18692	3.7
365.23187	49.4
365.33121	3.4
366.23206	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	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.4
54.44349	1.2
55.01875	7.2
55.05513	29.1
57.03444	9.2
57.07083	2.5
59.04995	2.3
65.03942	2.9
67.05504	32.8
69.03435	16.2
69.07069	50.0
71.05010	1.9
77.03954	1.3
79.05493	23.7
81.03419	4.5
81.07055	23.2
83.04996	5.8
83.08614	8.9
85.06536	1.8
91.05486	19.2
91.06019	1.9
93.07053	20.7
95.04979	13.3
95.08609	14.2
97.02893	15.4
97.06537	5.9
97.10172	12.8
103.05474	2.0
105.07025	20.2
105.07678	1.7
107.04951	6.2
107.08601	18.2
109.06522	5.1
109.10154	12.5
111.08102	1.8
113.18693	1.2
115.05489	1.5
117.07019	9.5
119.04949	1.6
119.08584	17.8
121.06515	3.4
121.10108	9.7
123.08077	5.9
123.11710	2.7
125.09615	10.8
128.06229	1.4
129.07031	3.5
131.08568	10.3
133.06541	2.2
133.10132	8.0
135.08076	4.1
135.11713	5.2
137.09628	2.9
142.07802	1.4
143.08580	5.2
145.10114	8.2
147.08041	4.3
147.11693	4.8
149.09605	2.5
149.13309	3.6
151.11203	2.0
153.09099	3.5
155.08574	2.7
156.09348	1.6
157.10156	8.2
159.11740	5.1
161.09627	4.4
163.11215	2.6
165.09129	3.1
165.15128	1.1
169.10110	2.5
171.11705	4.7
173.09644	2.7
173.13263	2.7
175.11281	2.3
177.12778	4.0
179.08508	1.5
181.10135	2.4
182.10965	1.4
183.11691	2.6
185.09608	1.2
185.13214	2.3
189.11234	7.2
193.10226	1.7
194.10931	1.7
195.11852	2.9
195.13795	2.7
197.13274	3.8
199.11201	1.6
199.14937	1.2
203.05284	2.4
205.12195	3.2
207.11725	4.3
208.12494	1.5
209.13326	2.1
221.13341	2.1
223.11128	1.5
223.13255	23.9
225.12889	2.3
228.82988	1.3
229.52330	1.4
237.16461	1.6
239.14236	1.3
245.19093	2.0
255.17511	1.8
263.20258	2.2
273.18503	10.6
287.18127	1.8
291.19562	100.0
292.19958	7.2
347.23697	2.7
365.10535	5.6
365.23450	31.8
366.23923	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	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.01877	7.8
55.05514	33.4
57.03442	11.9
57.07068	1.0
59.04986	1.2
60.94515	0.9
65.03951	2.0
67.05506	34.5
68.05875	0.9
69.03430	14.4
69.07069	39.3
69.50918	4.5
70.00692	0.7
70.07406	0.9
71.04984	2.1
75.64870	0.8
79.05494	29.9
81.03421	7.2
81.06581	1.5
81.07057	26.3
82.07359	1.1
83.04987	5.9
83.08614	9.3
84.27769	0.8
85.06552	1.0
91.05482	19.1
93.06474	1.4
93.07043	22.6
95.04976	8.6
95.08611	13.0
97.02891	18.9
97.06519	4.8
97.10170	19.9
99.04454	0.8
99.08047	0.9
103.05409	1.1
105.04448	1.0
105.07037	14.3
107.04955	9.1
107.08589	16.5
107.82693	1.0
109.02870	0.8
109.06518	3.6
109.10155	12.3
110.68925	0.8
111.04488	1.0
111.08089	2.0
115.05420	1.3
117.07014	7.8
119.04939	1.8
119.08586	12.8
121.06494	3.7
121.10178	6.0
123.04443	1.2
123.08089	4.9
125.09628	14.4
128.06248	1.1
129.06998	3.6
131.08585	9.0
133.06483	1.7
133.10083	5.0
135.08057	5.6
135.11745	3.1
137.09634	2.8
143.06822	0.9
143.08557	3.7
145.10130	7.4
147.08006	4.9
147.11691	3.6
149.09641	2.3
149.13257	1.6
151.11163	1.7
153.09105	1.8
155.08572	1.2
157.10132	3.5
159.08086	1.2
159.11685	2.3
161.09608	3.2
161.13287	1.0
162.10371	1.3
163.11160	1.0
165.09114	2.4
171.10175	1.1
171.11627	2.7
175.11208	3.0
177.12732	2.6
189.11240	7.6
193.12280	1.4
195.13832	2.4
205.12225	2.9
211.14813	1.1
223.13289	36.1
224.13632	1.4
226.77805	0.9
227.12807	1.3
245.18954	1.4
249.14899	1.0
263.19952	1.0
273.18469	12.3
291.19540	100.0
292.19806	5.6
347.22208	1.3
365.10324	1.5
365.23212	41.9
366.23746	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	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.3
53.03946	5.3
55.01872	10.8
55.05511	39.2
57.03436	14.6
57.07054	1.6
59.05029	1.3
63.16323	0.9
65.03941	3.6
67.05503	58.8
68.05815	1.3
69.03081	1.7
69.03429	17.3
69.07068	46.4
70.06642	1.0
70.30498	0.9
70.30834	2.6
71.04986	4.4
73.58590	1.3
77.03915	1.2
79.05492	48.7
81.03431	8.1
81.07053	48.9
81.83224	1.1
82.07397	1.6
83.04986	11.8
83.08623	11.2
85.06530	2.6
91.05480	42.3
92.05831	1.2
93.07040	36.9
94.07377	1.5
95.01337	1.3
95.04970	14.0
95.08607	24.2
97.02890	19.1
97.06527	6.1
97.10172	17.3
103.05469	1.9
105.07031	31.7
106.07348	1.1
107.04951	14.1
107.08589	30.7
109.06517	7.8
109.10153	20.4
111.04450	1.9
111.08078	5.0
113.05990	1.5
115.05452	2.3
116.06279	1.4
117.07029	13.6
119.04956	1.6
119.08584	21.8
121.06509	8.1
121.10138	11.7
123.04446	1.6
123.08046	6.6
123.11678	4.5
125.09624	14.6
128.06210	2.1
129.06996	7.8
131.08565	13.7
133.06493	7.5
133.10130	26.5
134.10454	2.0
135.08060	11.2
135.11676	7.8
137.05975	1.2
137.09628	4.7
141.06993	1.3
142.07840	1.1
143.08524	5.7
145.06444	1.2
145.10126	10.2
147.08060	8.3
147.11685	4.9
149.09641	10.2
149.13272	2.5
151.11183	15.3
153.09129	2.3
153.12752	1.4
157.10097	5.3
159.08054	3.4
159.11731	5.9
161.09596	8.2
161.13274	1.4
163.07616	1.4
163.11139	5.0
165.09117	3.1
169.10120	1.6
169.12241	2.0
171.11691	4.9
173.11880	1.8
173.13324	3.1
175.11237	5.5
177.09125	4.1
177.12749	2.9
179.10652	1.6
181.10112	1.3
181.12247	1.0
183.11620	1.6
185.13235	2.9
187.14757	1.1
189.11206	7.5
189.12692	1.5
195.11826	1.4
195.13777	2.6
203.14186	1.1
205.12317	3.0
223.13269	31.1
223.15332	2.0
227.12701	1.5
227.17970	3.1
245.19005	3.9
249.14883	2.3
251.12654	1.5
253.14365	3.4
255.17458	2.5
263.20068	4.3
269.13885	2.0
273.18478	25.8
274.18735	1.8
291.19528	100.0
292.19949	6.1
347.22180	2.6
365.10748	2.0
365.23218	62.7
366.23581	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	8.7
54.74443	1.9
55.01870	17.3
55.05511	36.3
57.03430	24.9
57.07077	14.1
59.05001	64.4
65.03927	6.7
65.53413	1.7
67.05506	89.6
67.66774	2.2
68.05832	2.3
69.03428	10.0
69.07069	32.8
69.30433	5.8
69.30859	6.9
71.05002	8.8
75.24506	2.0
77.03906	2.1
79.05019	2.5
79.05492	74.1
81.03414	19.3
81.07056	100.0
83.01373	2.2
83.04984	23.4
83.08623	13.4
85.06543	8.5
91.05479	89.9
92.05799	3.0
93.07045	67.4
95.04968	27.1
95.08604	39.1
97.02879	5.7
97.06529	10.7
97.10149	7.5
98.22672	3.6
99.04490	2.4
99.08069	2.8
103.05535	3.8
105.04551	2.8
105.07027	76.2
107.04951	24.3
107.08588	55.8
108.08888	2.2
109.06511	16.6
109.10162	43.9
111.04447	7.0
111.08095	10.5
113.06014	3.5
115.05454	2.2
115.11213	6.9
116.06245	2.6
117.07012	22.4
117.09135	4.6
119.08584	31.8
121.06471	12.6
121.10154	18.4
123.04430	2.6
123.08034	10.5
123.11713	7.9
125.09663	2.7
127.07585	2.7
128.06204	5.3
129.06989	8.6
131.08560	34.7
133.06503	19.4
133.10123	78.0
134.10507	3.2
135.08025	22.0
135.11638	11.2
136.08392	2.1
137.05940	2.6
137.09622	5.6
139.07533	5.9
142.07814	3.7
143.08554	9.9
145.10143	17.3
147.08061	11.3
147.11676	7.3
149.09612	27.4
149.13275	2.8
151.07623	2.4
151.11169	38.4
153.09073	2.1
157.10097	10.3
159.08052	6.4
159.11676	9.3
161.09637	17.9
161.13301	3.4
163.11195	6.4
165.09123	3.9
167.08496	2.0
169.10124	2.8
169.12212	4.4
171.11685	8.4
171.13156	1.8
173.09718	3.6
173.13223	3.5
173.15445	3.3
175.11177	7.7
177.09113	9.9
177.12648	4.1
179.08488	2.3
179.10692	4.7
181.10083	3.2
183.11594	4.1
185.04343	2.1
185.13316	5.3
187.11177	2.8
189.12737	5.3
195.11705	4.3
195.13750	2.7
197.13354	2.5
199.11151	2.4
201.12756	2.7
205.12241	2.9
207.11807	3.3
207.13805	2.3
209.13367	3.8
215.12836	2.8
217.12238	2.3
223.13295	7.9
227.17876	4.5
245.19003	11.7
251.12790	4.2
253.14383	19.0
255.17407	4.2
263.20197	8.9
269.13846	6.8
273.18494	37.7
274.18661	2.1
291.19534	36.8
297.17661	2.0
347.22379	4.2
365.10641	2.9
365.23312	45.1
366.23590	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	365.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.3
55.01868	14.3
55.05512	25.6
56.17467	3.4
57.03426	12.8
57.07066	12.9
57.50538	3.1
59.04989	4.3
61.02918	10.0
67.05505	44.8
69.03426	37.8
69.07059	26.4
69.24426	4.1
71.01328	6.1
71.04987	22.6
71.19978	4.8
73.02914	12.5
73.28491	3.4
75.33954	3.6
79.05495	30.8
81.03420	13.7
81.07057	58.2
83.04978	12.6
83.08618	16.0
85.02913	45.1
87.04431	4.7
91.05473	43.1
93.07047	54.0
95.04967	9.9
95.08607	100.0
96.08958	4.2
97.02885	17.1
97.06505	13.1
97.10218	4.3
99.04443	11.8
99.08080	4.4
103.03924	14.8
103.05486	3.8
105.07030	67.4
107.04947	6.0
107.08583	50.6
109.06505	12.6
109.10160	33.4
111.04452	11.7
111.08044	5.1
115.03908	6.1
115.05456	5.8
117.07012	17.4
119.08578	76.6
121.06511	8.3
121.10136	45.2
123.04405	4.0
123.08063	13.3
123.11683	18.6
125.09644	5.3
127.03876	9.1
127.11205	4.5
128.06212	7.6
129.05461	4.8
129.06992	13.5
131.08565	38.4
133.06468	7.0
133.10135	41.6
135.08061	15.0
135.11665	17.6
137.09604	16.5
141.06970	4.9
142.07748	10.0
143.08545	28.5
144.09406	4.3
145.04907	4.8
145.06453	4.6
145.10117	46.2
147.04395	7.1
147.08014	12.8
147.11688	38.3
149.09595	9.1
149.13232	10.2
151.11172	4.5
154.12265	6.8
155.08466	7.9
156.09344	6.0
157.10129	42.4
159.08073	7.6
159.11703	58.3
161.09622	10.3
161.13277	24.2
163.07474	4.0
163.11200	4.6
166.07655	4.1
167.08583	5.5
168.13838	7.1
169.10133	12.6
171.08060	5.7
171.11708	35.3
173.09631	6.6
173.13324	26.8
175.11224	9.2
175.14796	12.0
177.09030	5.3
177.12744	5.2
177.16367	5.3
181.10100	7.8
183.11667	15.7
185.13254	17.2
187.11172	8.1
187.14836	26.8
189.12721	12.4
189.16380	37.0
191.14352	4.0
195.11703	10.3
196.13332	8.3
197.13264	12.4
199.11214	4.9
199.14751	10.7
201.12770	8.3
201.16408	27.7
203.14156	3.9
203.17944	21.3
209.13324	3.9
211.14824	4.8
213.12735	8.8
213.16386	16.2
215.14328	7.3
215.17928	15.2
217.15860	4.5
217.19646	6.8
225.12747	9.5
227.17947	12.6
231.17401	7.4
239.17924	6.8
241.15897	10.3
243.13760	6.1
243.17445	6.8
245.19002	14.9
255.52876	4.1
257.19104	5.4
261.14883	4.3
269.18896	6.2
279.15863	6.6
281.18713	6.2
299.19769	5.3
311.20038	10.0
329.21158	31.6
347.22183	36.4
365.18799	5.6
365.23178	78.7
366.23541	10.8
376.61667	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
53.03943	6.4
55.01868	11.4
55.05514	16.5
57.03424	9.4
57.07071	9.2
59.05009	4.8
61.02923	14.9
67.05502	32.9
69.03429	34.3
69.07064	20.3
69.13103	26.8
69.42169	3.8
71.04992	27.5
73.02913	11.2
79.05492	22.4
81.03422	15.7
81.07063	48.7
83.04980	12.1
83.08624	7.0
85.02906	45.3
85.06571	4.1
87.04440	3.4
91.05469	35.2
93.07050	41.2
95.04971	16.0
95.08601	50.6
97.02879	18.7
97.06551	6.6
97.10165	5.5
99.04461	5.0
99.08064	4.7
103.03949	10.5
105.07034	62.9
107.04980	7.4
107.08576	40.5
109.02872	5.7
109.06526	10.4
109.10148	29.0
111.04422	9.7
115.03952	3.8
117.07034	20.8
119.04958	12.5
119.08568	58.4
121.06508	10.6
121.10125	30.3
123.08051	10.1
123.11713	12.4
125.05978	5.9
125.09631	9.8
127.03915	6.2
127.11192	11.2
128.06218	8.0
129.05489	6.9
129.07010	10.8
130.07790	4.9
131.08562	42.0
133.06522	7.0
133.10130	42.9
135.08061	10.4
135.11658	16.2
137.09613	14.6
139.11201	4.9
141.06857	3.7
142.07777	10.4
143.08574	34.3
143.10637	7.7
144.09338	6.1
145.06526	4.6
145.10118	62.9
147.08037	13.5
147.11685	33.7
149.09645	10.8
149.13248	7.3
151.11145	4.0
155.08539	12.5
156.09335	9.8
157.10129	36.6
158.10953	5.4
159.06616	4.8
159.08055	7.3
159.11696	54.6
161.09630	14.3
161.13235	16.5
163.11179	6.1
165.12883	3.6
167.08565	5.2
169.10159	14.1
171.08043	9.8
171.11693	33.9
173.09631	11.6
173.13269	30.3
175.11180	15.8
175.14841	9.6
177.09076	5.1
177.12808	5.6
177.16428	4.8
178.09871	3.5
179.08482	3.9
181.10051	7.4
182.18201	3.6
183.11710	14.0
185.09625	4.6
185.13197	18.4
186.13959	3.8
187.11171	5.4
187.14818	23.1
189.09070	7.2
189.12727	9.3
189.16374	46.6
195.11743	5.2
197.13289	16.3
199.11174	3.6
199.14912	11.5
201.12778	9.4
201.16423	40.3
203.14301	4.6
203.18011	13.6
207.10110	14.2
207.11778	3.8
209.11613	4.0
209.13316	4.6
213.12772	9.8
213.16367	14.4
215.17976	15.2
223.14903	5.5
225.12721	10.7
225.16420	8.2
227.14381	5.7
227.17992	10.6
229.19485	4.4
231.13826	4.3
231.17366	9.6
240.70956	4.2
241.15892	5.5
243.13750	8.1
243.17464	7.4
245.18993	15.3
257.18930	10.5
261.14810	11.1
261.18524	5.3
269.18991	8.4
279.15863	5.0
287.20071	5.1
293.19037	6.1
299.20123	5.6
311.20041	13.1
320.29886	4.0
329.21039	31.8
347.22241	38.3
365.11115	3.9
365.23203	100.0
366.23648	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	365.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.6
55.01876	3.1
55.05514	17.3
57.03440	4.6
57.07070	3.8
59.04991	4.1
65.03948	2.2
65.11633	2.2
67.05505	25.0
69.03428	7.1
69.07074	17.9
69.15266	16.4
71.04981	3.2
72.48195	2.1
76.49377	2.1
79.05494	29.2
81.07054	27.0
83.04992	8.3
83.08620	8.0
85.06533	5.3
91.05473	32.4
93.07046	38.5
95.04966	31.2
95.08607	25.2
97.06541	8.3
97.10167	2.5
98.23404	4.0
100.42638	2.1
103.05478	3.3
105.07034	52.8
107.04987	2.7
107.08601	30.3
109.06528	8.8
109.10152	21.6
111.08053	2.4
115.05447	5.0
117.07011	16.6
119.04966	2.6
119.08580	41.3
121.06540	7.2
121.10150	26.4
123.08070	5.4
123.11729	4.1
125.09654	3.1
128.06235	6.4
129.07001	11.9
131.08589	29.1
133.06516	2.5
133.10124	20.7
135.08020	13.2
135.11743	4.8
137.09656	4.9
141.06996	4.9
142.07782	10.4
143.08559	26.1
144.09308	5.2
145.10121	26.2
147.08069	7.9
147.11713	8.9
149.09659	7.8
149.13228	6.1
153.07068	3.7
155.08575	12.3
156.09364	8.8
157.10129	26.1
158.10860	3.9
159.08049	4.9
159.11690	14.7
161.09612	9.9
161.13225	4.1
163.11244	3.7
165.07045	8.0
166.07759	2.2
167.08562	7.4
167.10686	3.8
168.09349	4.5
169.10118	18.9
170.10893	5.1
171.11653	18.3
173.09692	9.0
173.13260	19.9
175.11212	6.6
179.08574	7.8
180.09351	6.2
181.10117	11.3
182.10971	4.7
183.11731	17.9
184.12486	3.0
185.09717	4.5
185.13304	9.1
187.11172	4.9
187.14815	3.6
189.12834	3.3
191.14363	7.7
192.09367	5.3
193.10144	15.0
194.10861	6.3
195.11664	16.9
196.12418	6.1
197.13271	15.7
199.11252	3.9
199.14873	6.4
201.12778	8.6
203.10817	2.6
205.10156	4.2
206.10980	6.9
207.11676	17.7
208.12482	9.6
209.13226	14.7
211.11230	3.4
211.14825	12.2
213.12782	4.9
215.14346	3.6
216.15096	3.2
217.15869	4.3
218.10716	2.5
219.11755	6.7
220.12456	6.3
221.13251	11.3
222.14084	4.7
223.11221	4.4
223.14958	11.3
225.12788	9.5
225.16495	5.4
227.14391	4.3
231.11787	2.6
232.12416	2.8
233.13275	11.2
234.13985	3.9
235.14732	3.6
237.12785	2.4
237.16402	8.6
239.14296	6.0
239.17995	2.4
241.15860	3.9
245.13435	2.9
247.14903	7.9
248.15550	5.2
249.12627	3.6
249.16449	10.1
250.17247	2.5
251.14606	2.9
251.17908	4.0
253.15952	3.8
255.17403	3.3
258.14047	2.4
259.14670	4.8
263.18005	10.1
264.18704	4.8
265.15875	5.4
265.19687	2.5
267.17502	6.0
269.19104	3.4
273.16272	4.1
273.18811	3.1
277.16068	3.4
277.19702	2.6
281.19077	6.0
282.19983	3.5
288.18790	2.4
288.63083	2.3
291.19849	16.3
297.18710	5.1
305.19403	2.7
309.18408	3.8
337.25385	3.8
347.23672	20.8
365.24762	100.0
366.25131	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.2
55.01874	7.6
55.05514	24.4
57.03444	4.7
57.07065	6.3
59.05015	5.0
67.05506	39.3
69.03431	10.0
69.07069	39.2
71.04991	8.5
79.05488	33.8
81.03413	4.9
81.07059	42.7
83.04968	5.0
83.08617	6.1
85.06557	7.0
89.06048	3.6
91.05476	45.8
93.07038	46.2
95.04973	36.7
95.08604	27.5
97.02859	4.7
97.06535	12.3
97.10167	5.6
103.92210	3.1
105.07034	55.6
107.04958	6.3
107.08600	40.8
109.06529	14.6
109.10159	26.4
115.05489	3.6
117.07031	16.0
119.08585	37.6
121.06516	5.9
121.10131	29.3
123.08048	4.8
125.09632	3.4
128.06216	14.5
129.06996	13.2
130.07777	5.4
131.08557	28.4
133.10118	30.2
135.08081	12.7
135.11705	8.4
137.09622	5.6
139.11256	3.8
141.06985	9.2
142.07803	13.6
143.08585	28.1
144.09326	4.6
145.06529	4.9
145.10103	33.0
147.08035	5.8
147.11691	9.9
149.09633	11.0
151.11211	4.7
155.08582	11.8
156.09358	9.9
157.10136	32.9
159.08049	7.3
159.11688	19.3
161.09625	16.6
161.13177	4.8
165.06967	5.2
166.07765	4.1
167.08565	9.2
167.10789	4.3
168.09315	9.1
169.10124	14.7
169.12341	4.8
170.10899	4.4
171.11649	14.4
172.24033	3.2
173.09628	9.1
173.13239	18.9
175.11227	6.6
175.14810	4.3
179.08502	8.6
180.09268	4.2
181.10115	12.0
182.10866	7.0
183.11725	24.0
184.12421	3.9
185.09554	4.0
185.13277	12.7
187.11137	6.4
187.14777	5.8
189.12730	5.4
191.08598	3.9
191.14349	9.3
192.09343	3.5
193.10121	11.7
194.10938	5.4
195.11729	18.4
196.12466	4.0
197.09642	3.7
197.13191	15.8
199.11172	4.3
199.14853	7.5
201.12807	7.4
206.10927	6.2
207.11758	24.4
208.12439	10.2
209.13232	17.0
209.40883	3.8
211.11247	4.2
211.14775	9.5
213.12691	5.8
215.14264	5.5
219.11656	5.0
220.12508	4.3
221.13245	12.8
222.13983	5.7
223.11198	5.3
223.14900	11.3
224.15651	3.7
225.12775	9.8
225.16451	4.2
229.16119	4.0
231.11662	7.4
233.13237	10.1
235.14871	8.9
237.16368	7.1
239.14426	3.6
243.11783	3.4
244.11948	4.0
247.14919	5.4
248.15630	4.5
249.16379	10.0
251.17700	4.4
263.14481	3.5
263.17905	9.6
267.17407	7.5
269.18936	4.4
273.18777	5.1
277.15863	4.3
277.19458	3.6
281.19049	5.1
289.19397	4.8
291.19675	34.9
297.18552	5.0
309.18472	4.3
329.22717	3.6
337.25513	4.7
347.23572	23.3
365.10666	13.3
365.24768	100.0
366.25125	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	365.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.4
55.01871	4.4
55.05519	22.4
57.03431	6.0
57.07072	7.8
59.04996	6.6
60.97046	3.0
65.03931	3.9
67.05511	41.1
69.03424	13.2
69.07066	31.8
71.04985	5.1
71.28265	3.7
75.05166	3.2
79.05501	33.5
81.03426	4.9
81.07059	42.1
82.40789	3.5
83.04993	7.8
83.08627	11.9
83.97691	3.0
85.06532	6.3
89.06068	3.6
91.05489	41.7
93.07047	52.8
95.04974	32.3
95.08608	30.6
97.02921	8.8
97.06531	9.2
97.10172	11.3
99.90926	3.0
103.05484	3.8
105.07039	56.7
105.07681	5.6
107.08594	42.0
109.06530	15.2
109.10165	20.4
111.08076	4.4
115.05478	6.2
117.07011	19.2
119.08581	56.7
121.06490	10.4
121.10146	31.5
123.08070	10.3
125.09603	4.7
128.06235	5.5
129.07005	11.4
130.07802	3.5
131.08571	33.9
133.06580	4.6
133.10135	36.3
135.08060	12.2
135.11711	10.4
137.09644	7.2
142.07790	11.8
143.08556	29.3
144.09383	6.2
145.10126	34.7
147.08064	8.1
147.11708	11.0
149.09634	13.7
149.13251	5.9
151.11197	3.9
153.07060	3.7
154.07809	3.1
155.08577	13.0
156.09332	9.1
157.10127	38.3
159.08025	7.9
159.11681	16.9
161.09589	15.7
161.13292	5.9
165.07072	5.0
166.07866	4.0
167.08563	12.4
167.10713	5.4
169.10141	21.5
170.10957	5.4
171.11719	21.2
173.09639	11.6
173.13249	17.4
175.11226	12.0
179.08565	5.9
180.09335	6.1
181.10117	10.5
182.10983	8.4
182.12570	3.1
183.11705	30.6
185.09738	3.6
185.13268	12.9
187.11275	4.5
187.14830	5.4
189.12677	5.1
191.14366	7.8
192.09256	5.8
193.10170	15.7
194.10835	9.2
195.11731	14.3
196.12363	7.9
197.13252	11.2
199.14845	4.9
201.12839	7.9
203.05354	3.7
205.10216	5.4
206.10947	9.1
207.11652	19.9
208.12387	7.8
209.10004	3.9
209.13298	21.6
211.14865	11.1
213.12816	4.3
218.10884	3.6
219.11812	5.6
220.12418	3.8
221.13297	15.6
222.14134	5.8
223.11180	5.8
223.13248	8.9
223.15019	5.8
224.15314	3.5
225.12794	7.1
225.16341	4.3
227.14336	4.8
233.13281	7.6
234.13994	4.3
235.14876	10.3
237.16229	9.6
238.16991	3.3
239.14432	3.7
243.11784	7.6
247.14937	5.9
248.15666	5.5
249.16432	7.1
253.15744	4.8
255.17401	4.2
259.14941	4.3
263.14496	3.6
263.17935	9.5
265.15793	4.8
265.19730	3.7
267.17487	5.7
269.18927	3.6
273.18655	8.4
275.14551	3.3
277.15720	5.0
277.19354	3.8
281.19144	8.6
289.19489	5.7
291.19690	33.6
292.20023	4.7
297.18512	4.3
329.22479	4.1
337.25204	4.3
347.23709	34.5
365.10739	10.0
365.24768	100.0
366.25073	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90982	2.5
53.03947	5.8
55.01865	3.3
55.05512	17.7
57.03421	3.5
57.07076	6.3
59.05009	2.6
62.34116	2.8
62.34434	2.3
65.03944	3.4
67.05505	30.1
69.03427	6.0
69.07066	17.7
70.53864	7.4
71.04976	2.9
74.82028	2.4
79.05492	23.1
81.07060	28.5
81.13008	2.4
83.04963	2.5
83.08620	9.3
85.02921	2.9
85.06551	6.3
91.05490	36.3
93.07047	38.1
95.04968	50.3
95.08609	31.0
97.06542	6.2
105.07030	57.7
107.08604	28.4
109.06523	10.2
109.10152	15.8
117.07018	15.7
119.08574	58.3
121.06523	6.3
121.10146	18.0
123.08094	8.8
125.09692	3.0
128.06248	12.0
129.06999	20.1
130.07794	4.5
131.08562	25.9
133.06592	2.6
133.10130	24.3
135.08038	16.5
135.11691	8.7
141.07018	11.2
142.07767	27.3
143.08557	50.2
144.09343	7.5
145.06389	3.3
145.10120	39.1
147.08067	8.1
147.11734	11.1
149.09636	5.6
149.13319	2.6
151.07536	4.2
153.07030	7.8
154.07730	3.5
155.08595	17.0
156.09352	25.0
157.10135	85.2
158.10822	9.3
159.08090	7.6
159.11690	38.0
161.09628	7.3
161.13274	9.5
163.11186	2.9
165.06984	8.3
166.07805	3.4
167.08598	9.5
168.09360	6.3
169.10126	26.9
170.10950	17.3
171.11676	28.0
172.08829	3.3
172.12398	4.0
173.09613	6.7
173.13254	12.7
175.11247	4.8
179.08513	14.3
180.09363	7.6
181.10172	17.8
182.10927	11.8
183.11702	25.5
184.12476	5.0
185.13254	84.1
186.13672	4.4
187.11192	18.1
187.14850	14.1
189.12854	3.9
191.08566	6.1
192.09407	5.1
193.10181	15.7
194.10966	8.9
195.11661	29.5
196.12460	9.6
197.13251	25.6
198.14011	3.0
199.11198	4.7
199.14732	6.1
201.12868	3.1
203.14397	6.5
205.10181	3.7
205.15977	7.5
206.10907	8.4
207.11688	24.4
208.12514	11.8
209.09645	2.7
209.13271	27.2
210.13924	4.8
211.11128	5.2
211.14854	11.7
213.12756	7.8
218.10995	2.8
219.11697	7.4
220.12549	7.6
221.13245	20.4
222.14096	12.0
223.14934	17.4
224.15623	2.9
225.12773	5.4
225.16490	5.3
227.14409	4.7
230.10854	2.7
231.11797	6.3
232.12643	4.7
233.13327	9.8
234.14102	6.3
235.14879	9.8
236.15669	3.8
237.16348	13.1
238.17133	7.1
239.14279	3.6
239.18005	5.0
241.15923	5.8
243.11839	3.9
245.13261	4.5
246.13950	2.6
247.14812	7.3
248.15688	5.4
249.16429	16.1
251.18008	12.7
255.17531	4.2
258.14001	2.9
259.14932	3.1
261.16330	4.9
263.14728	3.4
263.17947	8.7
264.18661	5.1
265.15912	5.0
265.19577	5.5
267.17517	5.5
269.19012	5.9
273.16156	5.1
275.14365	2.8
275.18008	4.0
277.19498	4.7
281.18948	4.9
287.18036	3.2
289.19632	4.8
291.16992	6.4
291.19681	12.0
299.18018	4.6
307.20523	4.0
309.18448	6.4
317.18832	5.9
319.24152	3.4
326.35315	3.2
329.22766	5.2
332.21497	2.9
347.23642	42.4
348.24060	3.7
365.24771	100.0
366.25113	15.5
377.25534	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63607	0.8
54.07731	0.7
54.54979	0.7
56.96568	27.9
56.96850	1.5
60.04513	0.8
60.95844	1.0
69.03434	4.7
71.28487	1.4
71.95259	2.8
74.53095	0.8
81.03407	2.5
84.96045	9.2
85.02895	3.2
97.02910	1.2
98.06066	1.3
98.67068	0.7
98.97585	100.0
99.97898	2.2
100.97183	1.6
100.97987	0.8
101.97196	1.9
102.96867	13.4
106.05032	2.5
110.06081	0.9
110.97572	63.5
111.97915	1.0
112.99142	4.4
116.98622	50.3
117.98937	0.9
119.98202	0.9
120.97910	5.5
125.99782	0.8
126.05513	1.1
126.97038	0.8
128.98610	78.3
129.98912	0.7
131.00172	5.3
134.99670	18.1
136.06198	2.8
138.98926	1.4
140.00191	0.9
140.98579	1.5
143.00180	1.9
144.98131	1.6
146.99657	37.4
147.04414	1.4
149.01224	3.3
149.02289	0.7
152.00192	1.2
153.00670	1.9
154.43237	0.7
154.53641	0.7
156.06512	1.7
158.99660	7.0
161.01192	1.2
161.99278	0.9
162.98985	6.2
165.00717	3.5
168.06664	1.3
170.08136	7.5
170.99673	5.3
174.00926	2.8
177.00711	9.4
178.01059	0.7
180.00395	1.0
181.00047	6.5
182.99673	1.2
185.04250	1.8
186.04591	1.9
186.07628	1.8
189.00722	13.3
192.01929	45.7
193.02213	1.3
194.54834	1.3
199.01059	0.9
201.00708	5.2
201.04201	0.8
203.05296	3.6
203.55458	3.1
204.05670	3.9
204.08746	1.3
207.01768	3.5
210.02995	40.5
219.01819	4.5
220.01378	3.7
221.02008	1.0
223.01068	3.8
228.04150	4.4
231.01846	0.9
233.06931	1.0
234.03003	18.0
237.02849	3.1
238.02515	2.9
241.02194	1.5
246.02994	29.0
248.04495	4.7
249.02802	2.8
252.04022	12.1
264.04037	14.8
266.05573	1.2
275.57458	1.4
279.11060	1.8
280.03635	1.2
282.01709	0.9
282.04974	1.7
284.58020	2.2
303.07593	2.1
306.04919	1.1
307.06726	1.4
321.08517	2.9
324.06137	21.3
324.09460	1.2
325.07791	1.8
342.07205	27.7
343.07385	0.9
366.07172	38.0
366.11026	8.9
366.17712	1.3
367.10443	6.2
367.18234	1.1
384.08237	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	366.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.3
54.84679	6.3
55.01857	11.5
55.05504	10.2
61.02925	8.1
61.72686	6.6
69.03434	45.8
69.23803	15.3
69.24215	31.4
71.04976	10.2
74.71532	5.5
79.05470	10.1
81.03406	43.5
81.07046	27.7
82.06584	38.3
85.02915	100.0
87.00840	46.7
89.57346	7.0
91.03955	6.9
97.02897	78.4
99.04450	20.0
105.01864	86.8
109.02875	34.8
127.03905	85.0
136.29031	6.7
145.04953	50.5
147.04381	9.3
151.11160	7.3
157.59389	7.1
159.02901	22.9
169.12202	32.4
187.13237	7.1
199.09442	12.1
224.12775	24.8
231.04976	16.9
261.15018	7.6
277.07315	13.3
332.06766	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	366.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81236	2.6
53.03946	6.0
55.01863	7.2
55.05506	3.5
57.03427	9.2
61.02911	3.9
67.05505	7.6
69.03432	36.5
71.28763	3.8
73.02920	4.9
79.05493	8.7
81.03421	23.8
81.07063	7.0
85.02903	100.0
87.00827	45.1
87.04458	2.5
91.05490	14.0
93.07065	5.5
93.87708	2.4
94.63867	2.8
95.04958	3.4
95.08624	3.8
97.02904	30.9
97.06519	4.8
99.04439	15.1
105.01866	65.3
105.07061	3.5
107.08596	3.3
109.02875	23.2
109.06495	4.0
119.04962	11.0
119.08578	4.4
127.03925	61.4
130.06503	3.2
130.17325	2.4
131.08611	3.3
141.09087	3.3
145.04990	35.0
147.03273	4.3
147.04413	36.4
157.07619	3.3
159.02869	15.1
169.12201	2.3
175.08777	3.1
203.08127	6.7
209.11543	3.5
221.09315	4.2
231.04973	15.6
295.11813	4.2
348.17825	3.5
349.11847	2.6
366.18271	3.1
366.23029	3.3
367.17410	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	366.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.1
55.01865	4.1
55.05508	3.3
57.03438	4.2
57.07068	3.0
59.05005	13.3
61.02930	8.3
64.62719	1.5
67.05495	9.5
69.03433	22.1
69.07066	10.7
70.76907	1.6
71.04989	30.9
71.29596	2.0
71.29980	1.6
73.02922	2.2
79.05485	13.2
81.02983	1.8
81.03423	7.0
81.07055	82.9
82.06582	17.9
82.07362	1.8
83.04984	7.0
83.08624	2.7
85.02906	44.5
85.06541	7.6
86.09721	1.9
87.04463	8.4
91.05482	5.3
93.07069	7.9
95.04975	5.4
95.08608	5.9
97.02895	12.4
97.06548	19.3
97.10146	2.2
99.04461	5.0
99.08102	6.3
105.07023	6.9
107.08598	21.8
108.04477	2.2
109.02854	2.6
109.06535	10.4
109.10160	29.0
111.08080	3.9
111.11726	4.8
113.05978	3.6
118.47971	2.0
121.06518	1.8
121.10146	5.4
122.02405	2.7
123.08081	4.6
123.10819	2.1
123.11701	33.6
127.03908	7.1
127.07579	2.4
127.11190	8.0
130.06569	2.8
133.10150	6.2
137.06012	2.1
139.11188	15.0
141.12784	1.9
144.07999	2.2
145.04950	10.6
147.04346	1.9
151.11185	54.9
152.11516	3.0
157.12245	14.1
161.09508	2.0
166.53424	1.6
169.08606	2.5
169.12247	100.0
170.12511	3.9
182.04451	2.0
183.04829	2.4
187.09714	3.6
187.13293	55.4
188.13623	2.1
196.06029	2.8
197.06390	1.9
224.12769	14.9
349.14041	2.3
366.21292	3.0
367.13794	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	366.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
53.33978	1.0
55.05497	1.3
60.04521	1.5
67.05501	3.0
69.03426	2.9
69.07059	2.4
69.35079	7.2
71.04985	12.4
73.18812	1.0
79.05499	17.5
81.03437	1.5
81.07055	100.0
81.90749	1.1
82.06595	5.2
82.07390	1.9
83.04988	6.3
83.08649	1.1
85.02910	5.9
85.06526	1.2
87.04501	1.4
91.05493	1.7
93.07051	2.4
94.81893	1.1
95.04925	1.2
95.08599	3.1
96.04498	1.1
97.02907	1.1
97.06530	2.6
105.07012	1.8
107.08551	2.3
109.06493	1.5
109.10137	2.7
119.04975	1.2
123.08086	1.8
123.11700	6.3
124.11998	1.1
125.09617	1.2
136.06242	1.5
139.11176	1.6
147.04422	2.8
151.11180	6.4
169.12236	96.1
170.12627	3.4
186.09111	3.3
187.13327	10.1
198.09039	1.1
199.09454	1.2
208.22127	1.1
221.12900	1.2
224.12856	2.0
349.17368	1.8
367.13586	2.2
367.18423	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46400	1.4
55.01862	1.8
55.05492	3.1
65.03931	1.7
67.05499	4.4
69.07099	2.1
69.14828	9.1
69.15232	2.1
70.41887	1.7
71.04980	5.9
73.59218	1.3
74.88597	1.3
79.05500	3.7
81.03420	3.0
81.07066	12.9
83.08610	3.8
85.02892	5.7
91.05487	20.3
93.07041	8.2
95.04970	2.7
95.08583	7.1
96.02653	1.9
97.02904	2.6
100.10758	1.7
105.07040	1.8
107.08588	3.5
108.04468	3.2
109.06531	2.7
109.10159	5.7
118.42992	1.4
119.04930	30.4
123.11697	4.1
130.06534	6.2
133.10040	2.4
135.11696	5.9
136.06189	1.7
137.13205	1.7
145.04968	2.5
147.04408	100.0
150.55780	1.4
151.11186	4.2
157.07619	6.7
163.05882	1.8
164.10684	1.8
169.12173	4.1
175.08635	3.7
185.07181	1.6
203.08162	12.7
221.09297	3.0
246.69275	1.6
283.09830	1.6
322.28214	1.6
366.11475	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.7
55.05498	1.8
60.75930	1.4
67.05519	3.3
67.18471	1.3
69.03423	4.9
71.02345	3.6
71.05004	12.7
72.15997	1.5
72.85838	1.4
74.85683	1.6
79.05497	18.9
81.03427	2.1
81.07056	100.0
82.06578	5.2
82.07377	2.7
82.15285	1.5
83.04983	12.8
85.02911	7.4
85.06544	2.0
89.67233	1.4
91.05502	8.3
93.07044	4.2
95.04987	3.6
95.08627	5.2
105.07033	2.3
107.04910	2.1
107.08603	4.3
109.06535	2.2
109.10168	5.7
112.12992	1.5
119.04941	10.2
119.08592	3.0
123.08046	4.4
123.11704	3.9
125.05918	1.5
130.06517	2.3
133.10153	3.2
135.08089	2.0
137.02550	1.7
137.09630	2.7
141.09081	2.8
145.10167	2.0
147.04405	31.0
151.07533	8.0
151.11151	2.7
152.05666	3.1
157.10054	3.8
159.07977	2.8
161.09581	2.0
161.94563	1.9
169.08592	5.1
169.12241	86.5
170.12627	4.1
175.08694	3.3
185.09392	1.6
187.09654	7.4
187.11214	3.1
187.13310	1.9
203.08160	5.2
224.12878	3.0
227.14426	2.0
231.42320	2.1
238.56023	1.5
245.15361	2.3
256.40311	1.4
366.14886	1.8
366.19391	2.8
367.13889	1.8
367.17789	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.7
55.01875	12.5
55.05513	27.3
55.28694	1.2
57.03442	15.9
57.07072	2.7
65.03944	3.7
67.05507	60.5
69.02859	6.0
69.03461	8.1
69.06728	2.2
69.07072	28.5
71.04980	5.6
71.08629	2.5
79.05495	45.0
81.03437	4.5
81.07061	100.0
82.07399	2.5
83.04990	8.9
83.08626	15.0
85.06556	5.8
91.04904	1.9
91.05485	42.4
93.07050	43.4
94.07377	1.3
95.04968	10.9
95.08611	39.9
97.06542	15.4
97.10181	6.0
98.23425	1.3
99.08113	3.2
105.07036	45.6
106.07355	1.9
107.04964	9.6
107.08599	26.8
109.06533	14.8
109.10151	18.2
111.04470	1.3
111.08102	6.9
115.05481	1.9
117.07019	11.2
119.08586	33.6
121.06477	6.2
121.10152	19.4
123.08100	6.5
123.11694	9.0
125.09632	6.2
127.07582	1.5
129.07034	4.2
130.07887	1.2
131.08578	15.5
133.09233	0.8
133.10126	22.9
135.08046	9.0
135.11696	10.1
137.09627	7.6
139.11174	1.9
143.08582	3.6
145.10139	14.0
146.10539	1.3
147.04420	1.7
147.08098	1.2
147.11687	22.6
149.09627	12.2
149.13277	6.6
151.07570	1.3
151.11217	3.4
153.09152	1.9
155.08530	1.7
157.10155	4.1
159.11732	11.3
161.09604	1.7
161.13277	5.0
163.11214	11.1
165.12810	6.0
169.10168	1.8
171.10271	2.2
171.11671	2.5
173.09604	1.9
173.11974	1.8
173.13208	6.9
175.11172	3.7
177.09319	1.3
177.12790	4.3
183.11754	2.9
187.11230	1.8
187.14912	1.6
189.11314	3.0
189.12903	1.2
191.14272	2.1
193.12173	2.2
195.13893	2.4
197.13261	1.5
219.17389	1.4
229.19591	3.2
233.19214	1.6
235.16966	1.6
239.17953	4.9
247.20615	6.9
251.20135	2.1
257.18958	6.8
265.21597	2.7
269.17490	3.5
275.20074	54.2
276.20456	3.2
285.16913	1.6
293.21194	8.1
293.24179	1.1
331.22729	1.7
349.23837	14.1
367.24881	30.0
368.25003	1.6
385.10040	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.9
55.01678	1.4
55.01876	16.7
55.05509	31.7
57.03436	18.1
57.07069	2.5
59.04995	3.0
65.03940	3.4
67.05503	63.0
68.05793	1.7
69.03428	8.7
69.07069	23.2
69.92600	5.6
71.04985	5.5
71.08634	2.1
79.05492	50.2
79.64086	1.5
81.03396	3.8
81.07056	100.0
82.07370	1.8
83.04967	5.7
83.08614	13.8
85.06539	5.9
91.05482	43.5
92.05814	1.8
93.07041	45.3
95.04972	13.6
95.08604	38.4
97.06534	13.8
97.10181	2.9
99.08087	5.0
105.07034	49.9
107.04971	10.0
107.08594	31.4
109.06533	13.1
109.10152	22.6
111.04468	1.6
111.08099	5.5
115.02305	1.5
117.06997	9.7
119.04945	2.0
119.08576	39.4
121.06487	6.9
121.10146	18.7
123.08047	7.8
123.11729	9.5
125.09637	4.1
127.07574	1.7
129.06990	5.0
131.08554	18.1
133.10121	25.5
135.08049	7.6
135.11693	9.7
137.09595	5.0
137.13255	2.4
139.11148	2.0
142.07678	2.2
143.08565	5.9
145.06471	2.0
145.10095	15.2
145.22107	1.6
147.08005	2.1
147.11678	22.1
149.09624	13.0
149.13263	8.0
151.07538	1.9
151.11183	6.2
155.08557	3.7
157.10159	4.2
159.11684	12.6
161.09651	3.9
161.13235	5.6
163.11205	8.9
165.09241	1.7
165.12735	4.8
169.10226	3.9
171.11699	5.1
173.09596	3.1
173.13249	6.5
175.11147	2.0
175.14828	2.1
177.12781	4.9
183.11702	2.5
187.11118	1.6
189.16409	1.6
191.14317	1.9
197.13257	3.4
229.19478	5.1
239.18015	4.0
247.20650	8.5
257.18982	7.3
262.82651	2.0
265.21545	2.0
269.17493	3.8
275.20044	63.9
276.20377	5.3
285.16830	2.5
293.21194	9.3
349.23730	14.6
367.24680	53.1
368.24768	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	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98935	0.8
51.02392	0.7
51.55898	0.7
52.09937	0.8
53.03939	1.0
55.01876	5.9
55.05513	21.0
57.03439	7.3
57.07080	2.4
59.05006	2.4
67.05505	22.9
67.05839	1.4
69.03440	2.7
69.07069	25.4
71.05008	2.1
71.08631	26.2
71.09008	1.5
71.29998	1.4
79.05494	16.0
79.05917	1.5
81.03458	2.1
81.07063	24.7
81.07532	1.8
83.04986	4.8
83.08615	6.2
84.38376	0.9
85.06560	2.2
91.05476	10.9
93.07047	13.1
93.07554	1.2
95.04972	6.4
95.08605	12.5
95.98822	0.8
96.08990	1.1
97.06530	5.1
97.10175	6.5
99.04507	1.4
99.08086	17.2
99.08660	1.3
102.24899	0.8
105.07027	9.3
107.04981	3.4
107.08587	12.5
109.06535	3.6
109.10163	9.4
111.04490	1.6
111.08108	2.2
114.66244	0.8
117.07049	4.2
118.06507	0.8
119.04973	0.9
119.08598	7.2
121.06496	3.9
121.09416	0.8
121.10120	4.5
123.04477	1.3
123.08112	2.2
123.11736	2.8
125.06023	0.9
125.09628	5.0
129.07057	1.3
131.08553	4.2
133.10141	8.3
135.08083	3.6
135.11707	4.3
137.05954	1.1
137.09599	2.0
139.11215	2.4
143.08595	1.4
145.10176	3.8
147.08084	0.8
147.11757	3.2
149.09676	2.6
149.13333	3.8
151.02826	0.8
151.11148	5.5
153.09149	1.0
155.08594	1.5
156.09441	1.1
157.10156	2.1
159.11728	2.5
161.09683	1.3
161.13316	0.9
163.11253	2.8
163.14723	0.8
164.12054	1.1
165.09151	0.9
165.12808	2.0
167.10658	4.3
167.14334	1.2
169.10144	1.1
171.11726	1.5
173.09718	1.2
173.13309	1.9
177.12759	4.8
179.10754	1.1
181.10803	1.4
181.12190	6.7
185.13196	0.8
189.11279	2.8
191.14227	1.0
195.11723	1.3
195.13817	1.9
223.20509	1.2
229.19504	1.2
247.20691	2.4
265.21753	1.9
275.20102	11.2
293.21097	100.0
294.21463	6.0
305.21085	6.3
349.23840	3.1
350.27032	2.9
367.24954	42.5
368.25433	3.7
368.31644	2.8
382.09760	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31477	1.5
53.03950	6.2
55.01874	21.9
55.05509	38.8
57.03441	22.7
57.07070	8.4
62.67208	1.5
65.03947	5.5
67.05503	100.0
69.03429	6.7
69.07063	22.3
69.53937	3.8
69.54320	5.0
71.04987	10.5
71.08624	9.8
79.05022	1.6
79.05490	59.6
81.03422	12.6
81.07054	83.7
83.04983	17.0
83.08619	17.1
85.02905	3.7
85.06553	10.2
91.05479	79.2
92.05816	1.9
93.07041	48.3
94.07391	1.7
95.04973	23.7
95.08607	40.4
97.02879	4.0
97.06535	9.7
97.10159	5.6
98.23327	3.4
99.04470	3.1
99.08083	9.6
105.07030	54.8
107.04959	18.3
107.08598	42.0
107.09293	2.8
108.08137	1.9
108.08933	2.7
109.06507	10.6
109.10154	46.9
109.96511	1.6
110.09065	1.7
111.04467	4.7
111.08078	5.5
113.06092	2.1
113.09668	2.1
115.05512	3.3
117.07039	7.4
119.08582	22.4
121.06509	9.2
121.10136	15.6
123.08067	12.6
123.11723	14.3
125.09620	11.6
127.07586	2.3
128.06187	1.7
129.07019	4.9
131.08566	17.0
133.06540	2.1
133.10127	85.0
134.10481	2.1
135.08078	5.8
135.11667	16.8
137.09596	19.8
137.13145	2.2
142.66432	2.1
143.08565	3.1
145.10149	16.9
147.08080	2.2
147.11690	9.2
149.09607	8.2
149.13243	4.0
149.59865	1.7
151.11174	42.9
152.11485	2.1
153.12758	3.0
157.10130	4.3
159.08009	2.2
159.11636	8.4
161.09637	2.3
161.13257	2.7
163.11192	13.5
163.14752	3.6
165.09094	3.5
165.12727	2.4
167.14378	1.9
167.27013	1.8
169.12219	6.5
171.11676	2.7
173.09557	2.5
173.13251	6.1
173.62782	2.1
177.12714	8.9
177.16280	1.8
179.10663	2.5
183.11682	2.6
187.11188	2.7
193.12462	2.1
195.13783	3.8
201.12740	3.0
205.12309	2.5
209.11682	2.5
215.12746	2.4
229.19495	2.5
239.18056	2.3
245.40236	1.8
247.20557	4.1
253.14343	4.8
257.19025	3.4
275.20047	37.6
293.21136	11.2
349.23758	5.9
349.47183	2.0
367.24860	36.1
368.25107	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71231	1.2
53.03954	1.7
54.36771	1.3
55.01870	7.2
55.05515	23.7
57.03440	7.6
57.07064	2.7
59.04988	2.2
65.38068	1.5
65.90633	1.4
67.05501	20.8
69.03413	2.4
69.07070	18.3
71.05002	1.4
71.08238	2.5
71.08633	42.9
79.05495	18.1
81.03418	5.1
81.07063	18.6
83.04977	4.4
83.08612	7.3
85.06549	1.7
91.05479	11.2
93.07042	14.0
95.04974	5.9
95.08611	10.5
97.06525	2.8
97.10184	9.5
98.22654	3.1
99.08095	31.6
100.07648	1.3
105.07015	7.8
107.04955	4.4
107.08599	13.6
109.06536	2.1
109.10158	6.4
111.04446	1.9
111.08083	2.2
117.07017	3.9
119.08581	6.1
121.06516	4.3
121.10151	4.7
123.08140	1.6
123.11702	1.6
125.09653	9.7
129.07021	2.7
131.08592	3.2
133.10156	6.3
135.08075	2.6
135.11639	2.2
137.09587	1.9
139.11221	1.6
143.08560	2.1
145.10133	2.2
145.11122	1.4
147.04410	1.8
147.08073	2.0
147.11685	2.9
149.13266	3.6
151.11212	3.5
157.10110	1.8
159.11694	2.2
161.09610	2.2
161.13254	1.2
164.41734	1.2
165.12845	1.7
167.10701	2.8
171.11678	1.5
173.01990	1.3
173.09813	1.5
173.11827	1.3
177.12790	2.9
189.11230	4.6
195.13795	2.3
197.13336	1.7
205.19531	2.7
275.20126	10.2
280.31458	1.3
293.21100	100.0
294.21457	8.8
344.27142	1.3
367.20862	16.1
367.24893	24.1
368.21185	2.2
368.25253	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	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98935	0.8
51.02392	0.7
51.55898	0.7
52.09937	0.8
53.03939	1.0
55.01876	5.9
55.05513	21.0
57.03439	7.3
57.07080	2.4
59.05006	2.4
67.05505	22.9
67.05839	1.4
69.03440	2.7
69.07069	25.4
71.05008	2.1
71.08631	26.2
71.09008	1.5
71.29998	1.4
79.05494	16.0
79.05917	1.5
81.03458	2.1
81.07063	24.7
81.07532	1.8
83.04986	4.8
83.08615	6.2
84.38376	0.9
85.06560	2.2
91.05476	10.9
93.07047	13.1
93.07554	1.2
95.04972	6.4
95.08605	12.5
95.98822	0.8
96.08990	1.1
97.06530	5.1
97.10175	6.5
99.04507	1.4
99.08086	17.2
99.08660	1.3
102.24899	0.8
105.07027	9.3
107.04981	3.4
107.08587	12.5
109.06535	3.6
109.10163	9.4
111.04490	1.6
111.08108	2.2
114.66244	0.8
117.07049	4.2
118.06507	0.8
119.04973	0.9
119.08598	7.2
121.06496	3.9
121.09416	0.8
121.10120	4.5
123.04477	1.3
123.08112	2.2
123.11736	2.8
125.06023	0.9
125.09628	5.0
129.07057	1.3
131.08553	4.2
133.10141	8.3
135.08083	3.6
135.11707	4.3
137.05954	1.1
137.09599	2.0
139.11215	2.4
143.08595	1.4
145.10176	3.8
147.08084	0.8
147.11757	3.2
149.09676	2.6
149.13333	3.8
151.02826	0.8
151.11148	5.5
153.09149	1.0
155.08594	1.5
156.09441	1.1
157.10156	2.1
159.11728	2.5
161.09683	1.3
161.13316	0.9
163.11253	2.8
163.14723	0.8
164.12054	1.1
165.09151	0.9
165.12808	2.0
167.10658	4.3
167.14334	1.2
169.10144	1.1
171.11726	1.5
173.09718	1.2
173.13309	1.9
177.12759	4.8
179.10754	1.1
181.10803	1.4
181.12190	6.7
185.13196	0.8
189.11279	2.8
191.14227	1.0
195.11723	1.3
195.13817	1.9
223.20509	1.2
229.19504	1.2
247.20691	2.4
265.21753	1.9
275.20102	11.2
293.21097	100.0
294.21463	6.0
305.21085	6.3
349.23840	3.1
350.27032	2.9
367.24954	42.5
368.25433	3.7
368.31644	2.8
382.09760	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.8
53.03942	4.2
55.01867	5.7
55.05510	24.7
57.03442	4.4
57.07071	9.4
59.05001	4.0
65.03934	3.0
65.40794	2.2
66.32018	2.0
67.05504	45.1
67.81251	1.7
69.03439	9.9
69.07068	29.0
70.77314	1.8
71.04988	8.4
71.08622	4.3
77.03923	2.5
79.05494	41.1
81.07058	50.0
83.04974	6.4
83.08621	8.2
85.06535	9.6
86.86313	1.8
90.70518	1.9
91.04905	3.0
91.05478	64.7
93.07047	84.8
93.31974	2.1
93.39542	2.2
95.04972	40.0
95.08601	60.5
97.06529	14.7
97.10172	2.3
99.08114	2.3
101.35448	2.2
103.05463	4.9
105.07030	95.7
107.08593	71.0
109.06525	15.9
109.10153	44.4
110.10603	2.0
111.08073	5.2
115.05459	5.5
116.06236	2.5
117.07005	21.0
119.04959	2.2
119.08581	100.0
121.06512	14.7
121.10137	46.4
123.08080	6.2
123.11709	17.2
124.37240	2.0
125.09616	3.6
128.06216	16.9
129.07004	22.1
130.07780	7.8
131.08575	59.2
133.10132	63.4
135.08026	18.1
135.11696	20.7
137.09621	7.0
141.07001	8.7
142.07765	22.3
143.08559	43.3
144.09314	11.5
145.06494	3.6
145.10120	69.9
146.07283	7.8
147.08063	10.9
147.11688	23.9
148.56296	2.1
149.09607	18.5
149.13214	4.4
151.11214	3.7
153.06953	3.1
155.08557	13.3
156.09358	16.0
157.10127	53.9
158.10782	4.0
159.08066	7.7
159.11687	39.8
160.12524	2.9
161.09630	44.3
161.13287	7.6
162.10161	2.8
163.11182	5.8
165.07031	4.1
167.08609	6.7
168.09294	6.6
169.10127	19.8
170.10861	9.5
171.11685	27.7
172.12399	4.3
173.09636	7.0
173.13246	29.2
175.11174	9.5
175.14824	17.7
179.08598	12.1
180.09326	4.3
181.10159	11.5
182.10881	8.1
183.11711	26.9
184.12450	6.3
185.09630	4.6
185.13252	17.1
186.13870	2.3
187.11226	4.5
187.14847	13.5
189.12769	3.0
193.10182	5.0
194.10951	9.5
195.11740	13.4
196.12439	4.5
197.13252	24.7
199.11185	3.0
199.14806	13.9
200.99280	2.0
201.12773	6.1
201.16411	8.2
207.11758	5.1
208.12430	2.3
209.13263	15.6
210.13994	3.3
211.11179	2.0
211.14799	8.2
212.11867	2.4
213.12759	4.6
213.16298	4.5
215.14272	3.4
217.15849	2.1
221.13219	4.9
223.14865	8.7
224.15541	3.5
225.12675	2.4
225.16391	5.3
227.14340	19.7
233.13431	2.2
235.14844	2.8
237.16383	4.8
239.18004	9.1
241.19482	3.0
245.13303	2.2
249.16396	3.7
251.18010	3.9
255.17503	6.1
257.18964	3.9
265.19626	4.7
267.17316	4.6
293.21307	5.4
331.24094	3.2
349.25143	8.6
367.26306	14.1
368.26685	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	367.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.5
55.01871	5.6
55.05513	42.2
57.07077	13.7
59.04996	14.4
65.03941	5.9
67.05506	60.1
69.03442	8.1
69.07066	33.0
71.04986	8.7
71.29881	6.4
75.27444	4.2
79.05495	43.6
81.07056	63.4
83.04998	6.6
83.08627	17.5
85.06535	45.4
91.05482	61.6
93.07043	83.6
95.04959	35.0
95.08600	63.1
97.06534	13.7
97.10165	6.9
105.04546	4.1
105.07027	100.0
105.07681	8.6
106.07272	4.5
107.08600	66.3
108.78706	3.8
109.06522	17.0
109.10157	42.6
111.08103	9.0
115.05460	8.2
117.07009	24.5
119.08578	88.7
120.08920	6.8
121.06475	9.3
121.10149	54.3
121.10927	6.7
123.08055	5.1
123.11730	15.9
128.06218	14.8
129.06990	20.8
130.07784	6.1
131.08568	53.3
133.10120	64.1
135.08064	19.5
135.11714	22.8
137.09631	11.4
141.06999	6.6
142.07776	21.5
143.08578	41.4
144.09280	8.4
145.10141	64.3
146.07202	4.7
147.08031	9.0
147.11655	22.8
149.09628	18.8
155.08565	14.1
156.09341	13.0
157.10127	38.9
159.11685	33.3
161.09616	38.1
161.13240	8.8
163.11296	5.2
167.08597	5.5
169.10135	19.7
170.10910	7.9
171.11687	23.0
173.09633	5.9
173.13251	28.3
175.11192	10.2
175.14822	16.1
179.08545	6.5
180.09311	5.6
181.10107	10.6
182.10889	5.9
183.11626	21.2
184.12410	6.8
185.09694	6.2
185.13289	12.6
187.14851	12.2
191.14400	5.1
194.10936	10.7
195.11752	8.1
196.12527	9.3
197.13263	19.5
199.14818	8.6
201.12834	4.9
208.12421	4.0
209.13292	16.6
211.14838	9.8
213.12833	6.3
213.16393	8.8
215.14241	4.8
223.14854	6.5
225.16451	6.7
227.14311	16.9
251.17958	4.9
264.14709	4.4
275.20212	6.7
293.21317	8.6
349.25491	6.0
367.26056	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	8.3
55.05513	33.3
57.03452	4.6
57.07082	8.1
59.05000	10.5
62.26095	2.7
65.03955	3.6
67.05505	45.4
69.03427	7.4
69.07074	29.1
71.04998	9.4
76.97823	3.0
79.05495	44.2
81.07060	70.5
83.04977	9.4
83.08606	12.1
85.06549	25.4
89.46801	2.7
91.05482	59.4
93.07047	74.8
95.04973	36.0
95.08604	61.6
97.06532	11.4
97.10165	7.0
98.22526	4.4
99.08092	3.8
103.05482	3.9
105.07030	100.0
107.04913	3.8
107.08598	55.0
109.06512	20.0
109.10161	40.0
111.08085	9.7
112.50019	3.4
115.05473	6.7
116.06231	4.2
117.07026	19.7
119.08574	81.3
121.06505	8.7
121.10143	38.3
123.08073	11.6
123.11712	13.4
125.09628	4.2
128.06212	13.2
129.06990	18.2
130.07761	5.6
131.08559	45.1
133.10136	58.7
135.08054	15.9
135.11690	20.9
137.09628	8.8
141.07014	5.5
142.07800	17.5
143.08548	38.3
143.09523	4.1
144.09319	10.3
145.10129	56.9
146.07268	7.4
147.08066	11.4
147.11696	23.1
149.09636	14.7
149.13297	6.7
155.08565	13.3
156.09340	14.1
157.10115	45.7
158.10878	7.8
159.08080	7.8
159.11699	29.9
160.12502	4.3
161.09586	38.8
161.13342	6.2
163.11174	4.0
167.08597	6.9
168.09341	6.3
169.10141	19.9
170.10890	7.1
171.11699	25.8
172.12338	4.4
172.41852	3.2
173.09702	5.8
173.13252	25.2
175.11226	10.9
175.14877	18.0
179.08598	10.5
180.09331	4.3
181.10172	10.8
182.10938	6.0
183.11713	24.5
184.12450	5.1
185.09697	4.2
185.13254	15.1
186.92137	3.1
187.14812	10.3
194.10844	6.6
195.11731	7.1
196.12494	5.7
197.13246	18.3
199.14807	11.9
201.12758	4.7
209.13307	19.5
211.14787	12.3
213.12762	5.5
213.16467	4.5
215.14491	3.5
223.14882	7.3
225.16295	5.2
227.14293	12.7
237.16302	5.5
239.17924	6.8
241.19588	5.3
251.17982	4.3
255.17374	4.6
265.19293	4.8
275.20163	5.4
281.16312	3.7
334.03665	3.6
367.26398	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	367.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63907	1.8
53.03941	3.6
55.01863	4.7
55.05510	20.7
57.03434	4.2
57.07056	3.2
59.05003	3.6
60.08156	6.6
67.05502	28.7
69.03428	8.8
69.07069	27.1
71.05006	5.5
71.08635	2.2
79.05482	26.3
81.07056	31.9
83.04978	5.5
83.08630	13.8
85.06523	2.5
87.96732	2.1
91.05477	42.8
93.07043	87.3
95.04969	20.7
95.08601	37.6
97.06531	7.3
97.10159	2.8
103.05467	2.9
105.07023	69.0
107.08591	35.0
109.06526	14.0
109.10134	15.4
111.08083	10.1
117.07039	11.3
119.08578	38.2
121.06483	12.0
121.10133	39.3
123.08053	14.4
123.11691	8.1
128.06210	7.2
129.07011	5.6
130.07755	4.5
131.08546	14.6
133.06454	2.7
133.10121	22.3
135.08046	46.7
135.11684	8.7
137.09593	5.4
141.06960	4.4
142.07767	11.0
143.08542	17.2
145.10127	29.6
146.10590	2.6
147.08038	12.4
147.11687	22.3
149.09607	21.6
155.08530	8.4
156.09360	6.5
157.10123	30.7
157.33438	2.6
157.79700	2.1
158.10641	2.7
159.08147	2.4
159.11690	12.5
161.09637	14.8
161.13301	6.7
163.11171	6.8
163.14870	8.6
165.12729	4.4
169.10133	3.9
170.10840	4.5
171.11691	3.8
173.09636	6.3
173.13277	4.7
175.11154	15.4
175.14874	10.3
176.11871	2.2
177.12755	3.2
177.16478	2.7
181.10120	3.3
183.11740	5.1
185.09656	4.2
185.13234	14.8
187.11159	3.3
191.14275	28.3
193.15921	8.3
195.11739	3.3
199.11232	3.3
199.14854	3.1
201.12759	3.7
203.14291	21.3
205.15871	100.0
206.16254	5.3
211.14810	2.9
213.12671	3.2
213.16374	2.6
215.14323	2.9
217.15886	6.1
218.16661	6.1
221.15408	3.0
227.14345	4.3
257.18900	3.1
270.19739	5.9
271.20590	8.7
283.20572	5.4
287.20029	7.7
321.25888	2.4
349.25259	9.1
367.26318	53.0
368.26498	3.9
368.42520	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	368.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.5
57.03425	0.9
61.02921	1.2
61.88997	0.2
67.64605	0.3
69.03432	2.7
70.32977	0.6
71.04995	0.3
81.03419	1.5
82.06596	0.4
85.02911	6.9
85.06532	0.5
91.03951	0.6
96.08099	0.4
97.02900	2.5
98.22614	0.3
98.97594	0.3
99.04453	0.7
99.14120	0.3
109.02812	0.7
110.97563	0.3
127.03892	1.6
132.04454	9.5
145.04965	1.0
160.04007	0.7
162.13994	0.3
178.05003	74.4
179.05382	2.5
189.13895	4.7
189.16855	0.3
206.04500	100.0
207.04839	3.9
368.13388	0.4
368.18683	0.4
369.20142	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
68.75310	0.4
69.45335	2.6
70.62521	0.4
80.05013	15.9
81.05337	0.5
81.84170	0.4
87.04469	10.7
102.03167	1.0
109.02634	50.3
110.02920	1.1
110.54891	0.4
131.50734	0.4
166.08635	18.1
167.08980	0.6
171.10052	0.6
188.06821	100.0
189.07114	2.4
206.07881	0.6
215.72295	0.5
266.08826	0.7
273.69943	0.4
277.80325	0.4
368.13171	15.8
369.13300	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55763	0.4
59.18496	0.4
61.03491	0.5
61.06863	0.5
63.80007	0.5
69.66362	1.9
70.40691	0.4
80.05014	16.7
87.04462	9.9
102.03185	1.9
106.46525	0.4
109.02636	47.8
110.02985	0.8
110.83498	0.4
139.49817	0.4
160.07635	0.6
166.08624	18.4
167.08958	0.7
188.06821	100.0
189.07181	4.0
206.07927	0.6
208.08397	0.5
241.12398	0.4
264.63260	0.5
266.08713	1.2
312.50656	0.4
368.13132	13.7
369.13419	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69259	4.4
53.03938	8.3
54.80447	3.3
55.01888	5.1
55.05520	6.6
57.03453	4.8
60.49187	4.2
62.55073	3.5
67.05514	10.3
68.52008	3.8
68.68175	3.5
69.03439	11.4
69.07073	6.8
69.85380	6.7
69.85770	10.1
70.06613	4.1
71.05013	5.3
79.05531	10.3
80.05028	14.2
81.03424	5.3
81.07061	10.4
83.04994	6.7
85.02923	22.0
87.04480	6.6
91.05487	9.2
93.07045	49.6
95.04996	8.7
97.02912	10.8
107.08607	47.8
109.02660	31.6
109.10146	25.2
111.08096	34.9
117.07030	4.2
121.02889	29.6
125.09653	39.8
135.08073	29.5
136.06122	6.0
137.60211	3.6
151.07622	3.9
153.09109	100.0
153.10309	6.3
162.05559	4.9
166.08681	13.9
170.56348	3.8
171.10164	50.7
187.13414	5.4
188.06815	61.2
188.08224	4.5
189.11278	8.8
190.04984	4.2
251.13544	4.6
312.29959	4.4
368.13104	18.4
368.18112	17.8
369.11108	6.0
369.15164	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	368.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	9.3
55.05497	10.6
57.03428	7.5
62.54610	3.7
67.05502	16.0
69.03423	15.1
69.07063	5.5
69.56083	4.1
71.04995	7.1
76.41557	4.7
79.05498	5.6
81.03438	8.1
81.07061	17.4
83.04965	12.1
83.08634	10.9
85.02905	26.3
91.05481	14.4
93.07037	46.0
95.04993	5.7
97.02893	13.0
99.04435	6.5
105.07044	8.0
107.08596	53.6
109.02725	4.4
109.06519	8.6
109.10165	21.3
111.08080	35.5
115.05448	4.7
125.09604	27.8
131.08643	4.6
135.08046	24.4
153.07890	8.2
153.09097	100.0
160.07611	12.0
166.08611	12.1
169.52808	5.4
171.10181	96.0
188.06927	42.2
189.11208	10.1
201.03770	8.9
203.05199	4.5
206.08112	28.8
223.99791	5.8
267.73959	5.0
368.13254	36.5
368.17255	4.2
369.10919	6.5
369.15192	55.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37423	2.5
53.03954	3.1
55.01865	3.9
55.05510	11.2
57.03426	5.6
59.05013	4.4
61.02939	3.0
63.95409	2.5
67.05506	10.0
69.03445	10.5
69.07061	14.7
71.05006	8.3
71.28732	3.1
73.06554	35.9
79.05516	5.2
81.03421	8.0
81.07056	13.6
83.04990	5.8
83.08622	5.5
85.02907	21.5
85.06545	5.0
91.05511	3.3
93.07064	7.7
95.08628	21.3
97.02912	10.0
97.06522	5.0
101.04951	2.6
105.07054	3.8
105.55570	2.5
107.08598	15.0
109.02882	5.0
109.10149	32.2
111.08087	4.0
113.09666	3.0
119.08569	6.0
123.11708	12.0
127.03923	7.4
135.11707	21.5
138.74637	2.5
140.18457	2.5
141.12769	13.1
148.04733	2.9
153.12738	31.9
162.38307	2.6
163.11201	3.0
171.13805	100.0
171.23337	2.8
172.14084	4.3
189.12733	6.5
207.13843	7.6
222.62155	2.8
368.17288	4.3
369.15244	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05433	0.8
55.01874	2.9
55.05510	8.5
57.07073	2.7
67.05499	7.5
67.36039	0.8
69.03437	5.1
69.07061	6.3
69.76709	4.3
71.04971	1.1
71.08615	1.5
72.04514	100.0
73.04871	1.0
78.99666	0.9
79.05492	9.1
80.86275	0.9
81.07054	11.6
83.04989	3.3
85.06536	2.3
91.05476	8.3
93.07031	18.5
95.04961	6.6
95.08604	5.5
97.02892	14.1
97.06536	3.3
97.10193	5.5
98.23327	1.9
99.08098	2.0
100.07645	1.1
105.07047	6.4
107.05016	1.0
107.08596	5.2
109.06553	2.1
109.10165	2.7
111.04427	8.5
111.08105	1.5
111.11778	1.3
113.05994	2.4
114.09156	10.2
117.06989	1.0
119.08611	4.5
121.06492	8.6
121.10138	14.6
123.04425	28.5
123.11735	2.2
124.04848	1.0
125.05994	1.9
125.09647	1.2
128.10712	6.2
129.07025	2.2
131.08578	14.4
133.06413	1.1
133.10112	3.1
135.08073	4.2
135.11668	1.2
137.06036	1.4
137.09624	1.3
139.11182	3.4
141.07001	1.0
142.12329	1.8
143.08606	2.5
145.10190	2.2
147.08038	4.1
147.11671	1.7
149.09630	15.3
157.10095	1.3
159.08109	1.0
159.11722	1.9
161.09615	1.3
161.13271	5.9
165.09215	1.1
167.10661	18.2
168.11040	1.2
171.11696	2.3
173.09627	1.4
184.16960	65.6
185.17352	2.5
189.12782	3.8
199.11171	1.0
202.18011	89.4
203.18381	3.9
207.13843	1.8
217.12105	1.2
217.74727	1.0
235.13304	4.0
253.14287	12.0
280.15952	2.3
280.19052	44.2
281.19400	2.8
294.21402	2.6
347.32813	1.0
350.26971	1.9
351.23044	1.3
364.32477	1.0
368.13016	1.7
368.28226	5.9
369.24301	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	368.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24129	0.8
51.11411	0.9
53.03934	0.9
55.01871	2.4
55.05516	11.3
55.84715	0.8
56.06341	1.0
57.03431	2.5
57.07069	3.1
58.29951	0.9
62.15380	0.9
67.05501	9.7
68.69425	0.8
69.03426	3.8
69.07066	7.4
71.05007	1.1
71.08635	2.7
71.29080	1.3
71.46322	0.9
72.04518	100.0
73.04874	1.0
79.05495	13.1
81.03417	1.6
81.07058	13.4
83.04977	3.7
83.08629	3.2
85.06514	2.2
91.05479	7.3
92.46239	1.0
93.07042	16.7
95.04989	4.7
95.08614	6.6
97.02892	12.4
97.06528	3.5
97.10168	4.4
99.04452	1.7
99.08090	2.4
100.07622	2.7
105.07041	4.7
107.04953	1.5
107.08576	5.1
108.41690	0.9
109.06544	1.4
109.10164	2.8
111.04462	7.5
111.08071	1.8
113.06000	2.9
114.09151	10.4
119.08575	4.3
121.06512	7.7
121.10144	15.0
123.04401	1.4
123.08125	1.2
123.11742	1.4
125.06002	2.0
125.09666	1.6
128.10689	4.7
131.08582	13.5
132.08824	1.0
133.10150	2.0
135.11684	1.3
137.06058	1.1
139.11189	2.8
142.12296	1.8
145.10086	1.6
147.08055	1.2
147.11703	1.3
149.09639	14.0
149.13307	1.7
150.09929	1.2
150.41013	1.0
151.07512	1.3
151.11176	1.7
155.08559	1.0
159.11693	1.3
161.13287	1.1
167.10672	16.7
168.10988	1.2
184.16963	60.6
185.17310	2.9
189.12636	1.3
202.18024	90.3
203.18411	3.8
269.17538	2.5
276.94495	0.9
277.21634	3.1
280.18924	2.1
299.18857	1.1
368.27963	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	368.9984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70795	1.0
53.84490	1.1
57.83047	1.0
57.84722	1.0
58.06569	1.0
59.14446	1.0
61.83931	1.0
64.22124	1.1
69.69697	1.1
70.21032	3.3
70.21411	1.1
73.30614	1.1
76.46828	1.0
77.31039	1.0
80.05009	1.3
82.06568	3.4
84.08128	4.2
93.14657	1.1
94.06544	2.7
94.93005	5.1
96.08117	4.5
103.09607	1.2
108.08096	4.2
120.08101	5.1
120.96661	2.2
122.09686	1.6
128.84424	1.1
132.08061	2.1
136.94025	24.9
146.09648	2.5
148.93970	2.1
161.10759	7.5
162.95599	3.5
166.95012	1.3
176.97136	2.7
189.13867	90.2
190.95081	9.1
204.96671	8.4
206.94522	1.2
236.14917	12.1
237.15295	1.6
248.95583	4.0
278.99359	1.1
351.00632	1.3
368.13071	2.1
368.99789	100.0
369.11838	4.3
369.20441	5.6
370.00299	3.4
370.10782	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	369.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05081	0.2
55.05500	0.2
56.05029	0.2
56.96567	56.0
57.03455	0.3
60.95863	0.2
67.97894	0.3
67.98217	0.3
68.05035	0.2
69.03430	0.9
69.07085	0.4
69.20203	1.7
70.06613	1.0
71.73564	0.2
71.95280	1.0
72.96046	2.6
73.02901	0.3
74.97622	0.7
80.05012	2.4
80.37917	0.2
81.03431	0.5
82.06583	6.5
83.05006	0.3
83.97639	2.0
84.08147	4.8
84.08624	0.4
84.96044	0.2
85.02901	1.4
91.05500	0.3
92.04984	0.2
94.06564	3.2
96.08132	9.7
97.02895	0.8
97.99200	0.4
98.97585	0.4
101.98734	0.3
102.96877	0.3
106.06555	0.6
108.08122	5.7
109.02903	0.3
109.08928	0.3
110.07196	0.3
110.09716	1.1
116.98615	0.3
118.06561	0.5
120.08107	4.6
121.08422	0.3
122.09672	3.8
127.03893	0.3
130.06633	0.2
131.07292	0.3
132.04471	0.3
132.08083	2.0
132.97870	0.3
134.09663	0.9
144.08051	0.3
144.96828	0.8
145.04854	0.2
145.66342	0.2
146.09637	4.2
148.11240	0.2
149.02769	0.4
152.05731	0.2
158.26398	0.2
158.99756	0.3
160.11224	0.8
161.10748	7.8
162.05417	0.3
162.97842	0.4
163.00584	0.4
165.02193	1.0
166.08675	0.3
167.03787	0.8
167.05348	0.2
167.09000	0.2
168.00876	0.5
169.01706	0.5
172.11253	0.3
173.10727	0.2
174.11632	0.3
176.02336	0.5
176.03838	7.5
177.02267	0.5
177.04106	0.3
178.05325	5.8
179.00143	0.3
179.05362	2.1
181.01782	1.6
183.03319	3.5
183.04936	0.4
185.01207	0.5
186.02304	0.4
187.02797	0.3
187.12244	0.3
188.13083	0.3
189.13867	100.0
190.01752	0.9
190.14221	3.7
192.03308	1.3
194.04892	4.0
195.03281	0.2
196.06473	4.7
197.01212	0.8
199.02856	0.3
201.04330	4.3
202.92253	0.2
203.05231	0.3
204.03320	3.9
205.00441	0.3
205.03729	0.3
206.04539	2.1
207.04842	3.6
208.02811	4.0
210.04396	1.5
211.34729	0.2
215.02155	0.5
219.01817	0.4
219.05330	0.4
222.04385	28.9
223.01453	0.5
223.04724	1.1
226.03865	3.6
237.02788	0.4
240.05434	30.3
241.02159	0.5
241.05769	1.1
242.05983	0.2
245.05948	0.9
263.06931	0.4
307.42355	0.3
309.08344	0.4
310.04602	0.4
324.08948	0.6
327.09238	0.6
351.10150	2.6
352.10376	0.3
369.10947	22.1
369.20209	8.2
370.11160	2.2
370.18933	0.2
386.28897	0.2
387.12225	3.2
388.12183	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	12.2
57.03422	9.5
61.02927	6.1
65.90155	4.0
67.05505	10.0
69.03430	38.6
69.07067	10.6
71.04999	6.2
71.28825	7.0
71.36332	4.0
73.02923	4.7
74.45609	4.8
79.05487	9.6
81.03411	20.4
81.07050	13.1
83.04990	8.5
84.04503	6.2
85.02896	33.2
86.06062	5.5
89.06006	4.7
91.03954	4.0
91.05487	11.7
93.07051	11.2
95.04970	8.9
95.08592	11.3
97.02886	16.7
97.06541	10.8
99.04463	6.9
105.07020	28.3
107.02892	3.9
107.08621	11.1
109.02894	5.0
109.06525	10.9
115.05479	4.8
119.08601	24.9
121.01099	5.3
121.10122	5.1
127.03901	11.9
130.04971	6.2
133.06506	8.9
133.10150	9.8
135.08115	5.2
135.11707	6.8
136.37662	4.9
137.05998	10.8
138.03758	6.7
145.10179	9.9
147.04375	5.1
147.11687	100.0
149.09579	5.0
151.07532	10.2
151.09663	5.4
161.13232	12.3
171.11739	6.2
177.12758	5.0
189.08925	7.4
189.12717	24.7
191.14369	6.1
192.06561	21.9
202.29428	5.0
204.04834	7.2
207.13860	53.2
207.15718	8.3
250.05302	17.9
267.08005	33.5
295.07587	7.1
307.59457	4.2
333.59109	4.4
351.12363	6.0
369.13535	80.0
369.23602	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	369.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92080	7.8
53.03943	10.1
55.01888	14.0
55.05514	29.7
55.50330	8.1
57.03446	13.9
67.05510	38.7
69.03432	53.6
69.07069	17.3
71.05003	18.4
79.05496	31.4
81.03426	35.3
81.07066	27.3
83.04972	24.1
84.08129	7.8
85.02906	40.6
91.05476	42.7
93.07059	37.4
95.04966	41.2
95.08632	29.2
97.02914	27.3
97.06546	9.9
99.04451	17.1
102.81124	7.9
105.07040	56.7
107.04987	17.7
107.08602	28.0
109.02884	23.4
109.06500	65.7
109.10162	18.5
111.04431	9.7
111.08097	10.2
114.04623	10.4
117.07000	13.9
119.08596	55.9
121.06497	21.0
121.10143	67.7
123.04449	11.0
123.08118	18.3
123.11693	9.8
125.05997	16.8
127.03945	23.7
129.07014	10.6
131.08578	20.8
133.06503	18.7
133.10168	29.1
135.08063	77.8
135.11642	10.1
137.09639	85.1
139.03859	9.6
143.08543	17.2
145.04944	10.0
145.06544	8.8
145.10197	19.5
147.04456	20.9
147.08054	23.7
147.11681	32.0
149.09625	69.5
151.07533	11.3
153.09145	24.9
159.08133	8.6
159.11690	12.0
161.09627	18.8
161.13216	42.1
162.03116	15.4
163.11255	14.4
165.09132	35.4
165.12807	18.4
167.41403	8.3
171.11723	23.3
173.09648	10.8
174.10451	18.3
179.14339	16.4
183.84045	10.3
187.11223	14.1
189.12709	93.0
201.03662	13.7
203.05392	20.1
205.12321	12.7
207.13812	96.1
229.12306	8.7
231.13730	15.7
246.69370	8.8
249.11310	10.1
264.31409	8.2
369.06424	24.2
369.15125	100.0
369.19098	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	369.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07120	3.5
53.03929	12.7
54.10748	3.3
55.01879	9.2
55.05503	14.1
57.03429	3.7
61.02927	3.8
63.64763	3.3
67.05495	12.7
69.03432	100.0
69.07059	7.6
69.34602	22.4
70.06594	5.8
71.04989	7.6
79.05486	20.5
81.03421	64.5
81.07057	20.5
82.06577	6.0
83.04970	12.0
83.08618	12.7
84.08132	3.9
85.02915	24.7
85.06541	4.0
87.04460	3.6
91.05490	25.0
93.07037	12.4
95.04961	9.1
95.08599	15.6
96.08185	4.2
97.02897	18.4
97.06506	6.1
98.22570	4.4
99.00821	12.4
99.04443	13.7
105.07043	25.0
107.04975	8.9
107.08600	16.8
109.02892	37.4
109.06505	4.7
109.10133	7.0
111.04433	3.9
111.08135	5.1
115.05444	4.7
117.07028	4.6
119.08589	18.1
121.06528	8.8
121.10160	5.3
123.08063	31.8
127.03913	31.1
131.08606	7.9
133.06528	20.7
133.10124	42.9
135.08055	5.7
137.05937	5.2
137.09607	7.3
143.08553	9.8
145.06560	3.9
145.10196	4.3
147.08000	9.2
147.11690	8.6
149.09621	7.5
151.07550	37.3
151.11240	5.9
156.09325	4.3
159.08040	6.8
161.09612	21.2
161.13232	13.7
163.11195	7.9
165.12825	4.3
169.10216	4.7
171.11700	6.9
174.10394	12.0
179.10701	12.4
185.09595	4.0
189.09186	19.4
189.12730	49.8
191.14235	6.4
202.81064	3.5
207.10178	8.6
207.13818	57.6
225.11211	17.8
227.14381	6.2
228.51500	4.1
236.16434	4.2
243.13885	12.7
251.14207	4.1
326.19547	8.2
328.21228	7.5
369.15253	18.0
369.19186	8.4
369.23410	6.5
370.22272	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	369.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07120	3.5
53.03929	12.7
54.10748	3.3
55.01879	9.2
55.05503	14.1
57.03429	3.7
61.02927	3.8
63.64763	3.3
67.05495	12.7
69.03432	100.0
69.07059	7.6
69.34602	22.4
70.06594	5.8
71.04989	7.6
79.05486	20.5
81.03421	64.5
81.07057	20.5
82.06577	6.0
83.04970	12.0
83.08618	12.7
84.08132	3.9
85.02915	24.7
85.06541	4.0
87.04460	3.6
91.05490	25.0
93.07037	12.4
95.04961	9.1
95.08599	15.6
96.08185	4.2
97.02897	18.4
97.06506	6.1
98.22570	4.4
99.00821	12.4
99.04443	13.7
105.07043	25.0
107.04975	8.9
107.08600	16.8
109.02892	37.4
109.06505	4.7
109.10133	7.0
111.04433	3.9
111.08135	5.1
115.05444	4.7
117.07028	4.6
119.08589	18.1
121.06528	8.8
121.10160	5.3
123.08063	31.8
127.03913	31.1
131.08606	7.9
133.06528	20.7
133.10124	42.9
135.08055	5.7
137.05937	5.2
137.09607	7.3
143.08553	9.8
145.06560	3.9
145.10196	4.3
147.08000	9.2
147.11690	8.6
149.09621	7.5
151.07550	37.3
151.11240	5.9
156.09325	4.3
159.08040	6.8
161.09612	21.2
161.13232	13.7
163.11195	7.9
165.12825	4.3
169.10216	4.7
171.11700	6.9
174.10394	12.0
179.10701	12.4
185.09595	4.0
189.09186	19.4
189.12730	49.8
191.14235	6.4
202.81064	3.5
207.10178	8.6
207.13818	57.6
225.11211	17.8
227.14381	6.2
228.51500	4.1
236.16434	4.2
243.13885	12.7
251.14207	4.1
326.19547	8.2
328.21228	7.5
369.15253	18.0
369.19186	8.4
369.23410	6.5
370.22272	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	369.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	15.3
55.01863	6.6
55.03656	4.8
55.05505	24.2
57.03434	11.3
67.05491	20.3
69.03429	100.0
69.07066	13.6
71.01336	6.8
71.04967	9.1
71.29779	6.0
79.05483	18.4
81.03416	60.5
81.07044	22.8
83.04968	17.6
83.08620	16.6
84.08145	5.2
85.02893	26.3
90.33689	4.5
91.05477	26.3
93.07024	17.5
95.04972	11.4
95.08607	22.3
97.02892	17.8
97.06523	10.1
99.00834	11.5
99.04454	14.3
100.11258	10.9
103.05519	6.2
105.07037	29.7
107.04946	7.7
107.08587	10.1
109.02874	33.7
109.06537	7.4
110.99915	4.6
111.04500	7.0
111.08089	6.9
116.39336	5.2
117.07018	7.0
119.08594	24.2
121.06484	10.9
121.10160	7.8
123.08057	41.9
127.03915	24.5
131.08568	11.9
133.06476	32.7
133.10126	36.2
135.08040	9.5
135.11649	5.4
135.18414	5.4
137.05951	10.2
137.09599	11.6
143.08536	9.7
147.11702	9.7
149.09673	15.0
151.07521	38.4
151.11205	9.0
156.09331	6.5
161.09637	35.9
161.13318	9.8
163.11130	7.9
171.11659	5.9
174.10429	7.6
179.10649	15.9
189.09088	21.1
189.12712	51.5
191.14343	9.3
207.09961	14.1
207.13789	77.2
225.11182	15.5
236.16324	4.7
243.13843	15.1
254.17366	7.9
326.19693	7.3
328.21158	6.2
346.67856	5.2
369.14716	22.2
369.19022	11.9
370.22290	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.2
53.72533	0.1
55.05502	0.3
56.96550	0.4
68.05029	0.2
69.03427	1.0
70.06571	0.7
70.54168	0.4
79.05508	0.2
80.05018	1.4
81.03408	0.3
82.06581	2.5
84.08144	5.3
85.02911	0.9
85.38956	0.2
87.04416	0.2
91.05465	0.2
94.06574	2.6
96.08134	4.0
97.02885	0.5
98.97569	0.7
101.00872	0.2
101.46973	0.2
106.06539	0.3
108.08104	2.5
109.08898	0.5
110.09717	1.0
110.17030	0.2
110.97585	0.2
116.04855	0.2
116.98508	0.2
118.06538	0.2
119.01867	0.2
120.08108	4.1
122.09676	1.1
122.14583	0.2
127.03903	0.2
130.06487	0.2
131.07286	0.2
132.08098	2.3
134.09694	0.8
143.01854	0.3
144.08049	0.4
146.09634	2.1
156.03146	0.2
160.11191	0.8
161.02953	0.5
161.10748	8.7
162.11026	0.4
165.00090	0.2
165.03667	0.6
172.11244	0.2
173.10629	0.2
174.11577	0.3
181.03423	0.2
188.13068	0.4
189.13864	100.0
190.14203	4.3
199.04517	0.3
203.04036	0.4
207.14909	0.4
219.01711	0.2
221.05017	0.8
228.05209	0.3
234.99048	0.2
237.03113	0.2
237.05779	0.4
237.55841	0.3
241.05547	0.4
271.06577	0.3
309.07626	0.2
333.10251	0.4
369.20190	7.8
370.20520	0.6
382.45914	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.1
55.01867	6.8
55.05514	7.8
57.03440	3.9
57.07069	2.1
67.05505	10.7
69.03429	1.5
69.07079	6.6
71.05006	1.3
71.08657	1.7
79.05491	9.8
81.07057	33.0
83.04990	5.6
83.08611	5.4
85.02917	1.5
91.05493	7.0
93.07049	8.8
95.04989	2.9
95.08621	8.1
97.06543	6.9
97.10169	1.3
98.22636	2.9
98.28067	1.2
105.07024	5.8
107.08601	8.2
109.06519	12.1
109.10154	5.1
111.04458	14.8
111.08092	2.2
119.08566	5.9
121.06543	2.1
121.10162	6.5
121.15874	1.3
123.08064	3.8
123.11723	2.9
125.06017	5.1
125.09613	1.4
129.06981	2.0
131.08591	3.2
133.10127	6.6
135.08063	4.5
135.11703	3.9
137.05978	100.0
137.09558	1.9
137.13274	2.6
138.06339	2.8
142.07881	2.0
143.08604	2.2
145.10130	4.4
147.08064	1.5
147.11655	8.9
149.09624	7.2
151.07544	2.7
151.11218	1.7
155.08505	1.4
157.10167	2.0
161.09612	9.1
161.13242	2.4
163.11223	4.1
165.09158	2.6
165.12842	1.9
171.11699	1.5
175.11176	6.7
176.22435	1.2
179.10741	2.2
189.12776	1.9
193.12241	2.1
199.03972	1.8
203.17929	8.3
204.21237	1.3
213.05687	1.2
213.16447	2.6
221.19067	2.6
225.05489	1.5
229.25055	1.2
231.17436	10.2
241.16013	2.2
249.18504	13.5
253.15227	1.5
271.06030	1.4
277.17993	66.5
277.21048	3.2
278.18372	4.0
295.18979	11.1
337.14252	2.1
351.21780	7.9
369.17117	1.5
369.22769	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	369.2425
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
52.68055	4.0
53.03942	8.7
54.13781	4.2
55.01881	6.4
55.05510	26.1
57.07071	14.2
59.05001	10.5
67.05508	30.6
69.03431	8.6
69.07069	24.4
71.05009	3.7
71.22353	4.2
74.52906	3.3
79.05494	30.2
81.07061	43.5
83.04982	7.9
83.08632	14.1
83.55517	3.4
85.06560	9.9
87.04465	5.1
91.05479	54.3
91.92655	3.7
93.07045	55.6
95.04979	32.8
95.08607	74.5
96.08993	4.7
97.06529	12.1
97.10163	3.7
99.04470	5.8
102.37849	3.9
105.07026	68.1
107.05000	6.6
107.08593	63.5
109.06507	14.3
109.10151	44.8
111.08110	21.8
117.07026	20.4
119.08580	100.0
121.06545	9.3
121.10137	47.6
123.08079	10.2
123.11729	11.4
125.09602	5.0
128.06250	6.3
129.07034	18.5
130.07803	6.3
131.08571	52.1
133.10126	66.8
135.08046	28.8
135.11699	21.8
137.05972	75.7
137.09644	8.5
138.01492	4.4
139.07518	7.8
141.07024	6.3
142.07803	20.2
143.08546	36.0
144.09319	8.9
145.10120	63.2
147.08078	21.8
147.11676	26.9
149.09653	20.3
149.13206	5.1
151.07536	5.9
151.11215	5.0
155.08557	14.9
156.09370	16.8
157.10126	41.5
158.10895	13.2
159.08093	20.7
159.11684	46.2
160.12230	4.4
161.09662	10.5
161.13300	8.3
163.07594	8.8
163.11174	10.7
163.14922	4.5
165.07024	5.8
165.09131	5.3
167.08432	4.8
168.09364	11.7
169.10109	22.4
170.10886	7.2
171.11670	37.8
172.12349	5.8
173.09628	8.1
173.13213	26.0
174.13750	4.6
175.11096	6.4
175.14827	35.2
177.09079	8.6
177.12862	7.3
179.08595	6.8
181.10146	19.2
182.10837	8.9
183.11674	28.0
184.12349	5.8
185.13310	17.0
187.11180	10.8
187.14819	26.1
189.12801	9.6
193.10156	16.3
194.10870	4.5
195.11772	17.5
196.08846	4.1
196.12482	7.9
197.09729	4.5
197.13240	25.5
198.13966	4.8
199.11180	9.2
199.14813	12.9
201.09109	7.2
201.12726	6.1
203.10681	4.9
205.15863	5.9
207.11687	8.7
208.12608	5.6
209.13196	25.9
211.11160	9.4
211.14825	10.5
213.12772	6.5
217.15977	5.2
221.13222	7.5
223.14868	9.5
224.15346	5.3
225.12909	4.9
225.16365	10.5
227.14322	6.2
229.12311	12.7
229.15898	6.4
233.15347	10.1
235.14832	4.9
237.16374	6.6
239.14490	4.8
239.17813	7.3
240.18436	5.3
243.17599	4.1
249.16342	4.1
251.14185	6.0
265.19540	12.2
267.17545	5.4
269.15356	6.1
271.16986	6.1
283.20657	6.5
284.21494	4.5
285.18500	5.7
293.18893	5.1
295.16949	8.6
311.20081	4.4
323.23737	4.8
333.22189	6.4
351.23102	23.4
369.24246	56.0
370.24820	8.2
379.79810	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	369.2424
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
53.03941	5.0
55.01870	5.1
55.05513	15.6
57.03434	5.2
57.07072	7.9
57.29055	3.9
63.89342	3.9
67.05498	30.8
69.03432	9.7
69.07070	22.1
71.04991	14.1
79.05486	29.0
81.07077	28.2
83.04978	9.6
83.08621	7.6
85.02921	4.7
85.06537	23.6
91.05483	32.4
93.07031	33.1
95.04972	100.0
95.08601	32.5
97.06544	20.3
103.05487	5.5
105.07021	46.4
107.08604	35.2
107.24590	4.3
109.06513	21.0
109.10169	28.5
111.08076	9.6
115.05495	5.4
117.07025	17.3
119.08582	47.6
121.06531	11.0
121.10144	30.7
123.08076	16.5
125.05943	5.6
125.09620	6.1
128.06253	11.4
129.06995	7.2
130.07756	5.3
131.08575	40.1
133.10130	37.2
135.08051	24.5
135.11731	8.2
137.09622	9.5
142.07784	11.2
143.08572	30.6
145.06526	4.6
145.10103	38.9
147.08064	20.3
147.11687	16.5
149.09624	20.3
149.13164	5.0
151.07561	8.4
155.08592	12.8
155.10789	5.5
156.09354	12.1
157.10114	30.1
158.10817	5.9
159.08055	10.7
159.11610	21.3
160.08842	4.6
161.09625	38.9
161.13289	8.8
163.11191	7.1
165.07127	6.9
167.08585	7.3
169.10152	18.3
171.11690	24.5
173.09552	21.1
173.13312	10.7
174.10591	5.9
175.11179	11.8
175.14873	7.1
177.09125	6.0
179.08606	6.8
180.09276	7.5
181.10194	10.7
182.10913	5.3
183.11684	24.4
185.09724	9.3
185.13307	15.2
187.14828	6.4
189.12740	17.7
193.10146	8.3
193.12340	5.6
194.10948	5.3
195.11751	15.8
197.09576	5.5
197.13295	16.6
199.11281	12.0
199.14798	6.1
201.12735	7.9
203.14352	25.5
207.11783	9.3
209.13277	18.8
211.11189	8.2
211.14885	9.6
213.12782	13.1
215.10727	5.7
215.14294	5.7
217.85176	4.7
219.11674	4.9
220.12708	5.3
221.13164	7.3
221.15309	9.0
223.14861	8.2
225.16354	12.9
227.14325	8.0
229.15802	5.1
231.13872	8.3
233.13254	7.7
233.15474	10.6
234.14023	5.5
235.14874	9.4
237.12816	7.6
239.14339	5.6
241.15878	9.2
249.16508	5.5
251.14340	6.7
251.17897	11.7
253.15756	7.4
267.10333	5.0
269.15378	14.7
269.19061	6.6
275.17969	9.0
277.15875	5.3
291.21072	6.3
293.19058	12.0
295.16934	10.2
309.22229	8.6
311.20145	10.8
327.23447	5.2
333.22031	9.0
351.23199	37.7
352.23404	5.1
369.24182	71.7
370.24948	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	369.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48360	1.8
55.01858	1.8
55.05510	8.3
57.07071	7.7
59.05016	2.8
67.05506	14.8
68.87640	2.4
69.03442	3.0
69.07063	8.7
71.04998	9.3
79.05492	10.7
81.07071	13.4
83.04998	4.9
83.08619	6.6
85.06533	13.0
91.05479	18.9
93.07050	17.1
95.04970	20.9
95.08598	10.9
97.06550	9.6
105.07023	19.3
107.08596	12.5
109.06516	11.8
109.10196	10.7
111.08096	2.6
113.06009	2.2
117.07034	5.7
119.08589	17.6
121.10103	10.2
123.08092	8.6
123.11720	2.5
123.18275	2.0
125.09603	3.5
128.06244	3.5
129.07008	6.6
131.08560	15.8
133.10146	12.7
135.08035	9.9
135.11705	4.0
137.05995	4.1
137.09630	5.6
141.07022	2.3
142.07787	8.3
143.08615	13.5
145.10110	19.8
147.08049	6.3
147.11699	9.2
149.09648	8.5
151.07578	5.8
151.11194	3.1
155.08559	5.9
155.10678	2.6
156.09357	5.1
157.10152	17.7
158.10931	2.4
159.08098	6.6
159.11696	8.6
161.09648	6.9
161.13188	2.5
163.11191	7.3
165.06944	3.1
167.08600	3.4
168.09341	3.6
169.10147	8.5
171.11679	16.0
173.09610	4.4
173.13281	7.1
175.11214	9.4
179.08600	3.6
179.10664	2.5
181.10143	4.8
182.10927	2.2
183.11665	12.9
184.18510	2.1
185.13347	5.9
187.11206	7.8
189.12758	9.2
193.10059	3.1
193.12143	3.0
194.10905	2.2
195.11690	6.9
196.08817	2.3
197.13274	7.8
199.11272	3.3
199.14833	3.1
201.12791	4.2
203.10632	2.8
203.14273	2.9
207.11665	3.9
207.13698	4.8
208.12610	2.8
209.13252	8.9
209.14998	2.2
211.11267	4.4
211.14835	3.8
213.12669	5.9
215.14334	4.1
220.12448	2.2
221.13481	2.5
223.14728	2.5
225.12567	2.6
229.12286	3.7
233.15440	4.8
235.14737	4.4
237.12608	2.6
239.14229	2.6
241.15868	4.3
251.14320	3.3
251.18013	2.8
253.15889	3.6
255.17459	3.5
267.17480	4.8
269.18887	2.7
275.17920	3.4
285.18536	2.6
286.19208	3.5
289.18106	2.8
293.18954	5.1
311.20139	5.8
345.45090	2.3
351.23215	15.3
369.25848	100.0
369.31680	33.0
370.26727	9.8
390.90112	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	369.2426
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
55.05511	12.2
57.03444	4.8
57.07066	6.4
60.08175	6.0
67.05488	10.0
69.07070	19.1
79.05502	14.5
81.07067	16.1
91.05469	40.9
93.07060	34.9
95.04969	13.6
95.08627	21.7
99.04440	8.9
105.07030	45.5
107.08610	58.5
109.06551	10.8
111.04446	6.8
111.08096	6.5
117.07023	14.0
119.08588	44.7
121.06512	12.6
121.10155	14.3
123.08080	22.0
128.06223	7.8
129.07050	9.9
130.07799	7.4
131.08577	34.4
133.10181	14.1
135.08052	44.0
135.11693	52.5
137.05977	21.7
143.08589	15.0
144.09360	17.3
145.10158	44.5
147.08028	12.5
149.09630	14.4
157.10089	7.9
159.08049	13.9
159.11703	64.7
161.09615	9.6
162.10417	10.0
163.11227	38.5
172.08827	6.7
173.13158	5.9
177.09125	9.1
177.12727	37.4
183.11829	5.9
187.11186	32.2
191.14317	40.8
193.15909	10.1
194.96805	5.1
198.18536	28.0
199.75024	4.9
205.12250	78.1
205.15933	13.6
217.15892	8.9
258.19934	5.6
270.19836	16.4
321.12729	5.2
327.08337	5.7
368.42523	12.0
369.11508	9.0
369.24194	100.0
370.24768	10.8
370.40616	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	369.261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.6
57.53305	0.4
59.05016	0.4
67.01295	0.4
67.05500	1.4
69.07069	0.6
72.98308	0.4
79.05491	1.2
81.07074	1.1
81.91661	0.4
85.06550	1.2
91.05489	1.4
93.07046	1.4
95.04950	2.0
95.08590	0.9
97.06525	0.9
105.07037	1.6
105.14460	0.4
107.08612	1.3
109.06522	0.9
109.10191	0.7
119.08583	1.8
121.10161	0.4
123.08045	0.7
125.09684	0.5
129.07036	0.8
131.08577	1.4
133.10144	1.2
135.08067	0.4
137.09656	0.5
141.07025	0.6
143.08557	1.1
145.10161	2.0
147.08092	0.4
149.09613	0.8
155.08577	0.6
156.09419	0.7
156.49866	0.4
157.10197	0.9
159.11734	0.9
161.09660	0.8
161.13216	0.6
164.89427	0.5
171.11713	1.5
173.09644	0.7
175.11186	0.6
181.10078	0.6
183.11668	0.7
185.09567	0.4
185.13316	0.6
187.11240	0.6
189.12784	1.0
195.11723	0.5
199.14883	0.5
211.14984	0.6
235.14825	0.5
253.15797	0.6
286.19153	0.5
295.22070	0.5
313.22055	0.7
336.48215	0.4
351.23438	0.9
366.70798	0.5
369.26147	100.0
370.26486	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	369.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.1
55.01871	8.9
55.05515	60.2
57.03442	18.4
57.07079	5.4
65.03931	4.9
67.05508	89.6
69.03433	4.5
69.06725	19.0
69.07079	29.6
71.04987	9.8
71.08632	27.7
79.05498	57.8
81.03410	9.8
81.07060	100.0
82.07433	3.2
83.04982	20.0
83.08623	34.9
85.06534	8.6
91.05473	49.4
93.06473	4.8
93.07047	76.1
95.04959	20.7
95.08045	4.8
95.08607	48.6
97.06527	17.8
97.10165	21.6
99.08097	24.3
101.06023	2.6
105.07047	33.8
107.08596	50.1
109.06516	9.9
109.10168	34.1
111.08080	11.4
112.49902	2.8
117.07008	11.8
119.08580	31.9
121.10133	31.1
123.08081	8.4
123.11730	8.8
125.09637	25.6
129.07030	5.5
131.08565	16.1
133.10127	29.7
135.08067	5.7
135.11723	23.4
139.11171	7.9
142.07851	3.3
143.08562	6.0
145.10132	13.0
147.11667	18.0
149.09581	3.5
149.13249	22.5
151.07565	3.2
151.11185	31.5
153.09077	3.1
153.12799	3.9
155.08661	3.0
157.10123	6.1
159.11693	10.8
161.13281	13.4
163.11185	10.6
163.14941	3.6
165.12753	12.2
167.10632	3.7
171.11768	7.2
173.11739	9.7
173.13278	7.0
175.14909	4.6
177.12729	7.1
179.14307	10.7
185.13339	4.6
189.11238	19.0
189.12730	4.3
195.11972	4.0
195.13843	12.8
207.13797	4.7
227.12723	5.7
231.21057	3.2
233.15381	3.9
241.19591	3.5
249.22124	4.2
253.17989	4.5
259.20627	8.3
269.17493	38.1
277.21631	57.1
283.94513	3.0
295.53036	2.8
298.08072	3.0
325.67755	2.8
351.25507	20.4
369.26718	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.09
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06571	2.4
69.29044	13.6
85.02881	4.9
87.76125	2.2
90.05547	2.7
96.08125	3.7
97.44753	2.4
136.93980	6.6
161.03104	2.5
175.21043	2.6
189.13867	23.4
190.02609	12.5
190.14198	39.4
190.95029	18.6
196.96236	2.9
203.05350	2.7
218.19884	2.4
238.15370	3.4
315.38919	2.5
370.00464	12.1
370.08850	100.0
370.20367	5.9
370.99747	8.5
371.09048	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	370.09
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96542	3.1
58.44926	1.9
69.25602	4.4
69.26009	8.7
70.06586	2.0
83.14673	1.9
84.04469	2.7
85.02910	2.3
91.01163	1.9
156.03242	2.3
190.02682	13.0
206.04967	2.4
228.05421	4.6
245.41251	2.0
246.06667	2.5
268.04819	10.0
325.74179	2.3
339.18997	2.7
370.08942	100.0
370.13876	3.2
371.09167	5.9
371.13138	9.6
371.17130	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	371.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.4
55.01865	19.8
55.05510	38.6
57.03431	14.2
67.05504	39.4
69.03429	28.3
69.07076	8.5
71.04981	9.1
79.05491	48.8
81.03410	57.3
81.07072	36.1
83.01328	17.4
83.04973	30.5
83.08612	17.9
84.23928	4.7
85.02901	22.5
87.84329	5.2
91.05463	27.1
93.07040	52.7
95.04972	15.9
95.08611	21.6
97.02889	22.5
97.06509	12.1
99.04436	16.5
100.11272	6.3
105.07022	22.4
107.04970	14.2
107.08582	28.3
109.02876	25.7
109.06511	14.4
109.10128	6.2
111.04473	12.9
111.08070	8.2
117.07013	15.4
119.08558	15.9
121.02840	4.3
121.06532	7.3
121.10136	23.1
123.08051	15.0
125.06013	6.3
127.03887	26.8
129.07030	7.1
131.08516	7.8
133.10118	39.6
135.07994	6.5
135.11693	22.8
137.09631	23.8
145.10124	26.1
146.74947	5.2
147.08066	7.5
149.09644	6.6
155.08574	5.6
157.70047	5.6
163.11162	68.9
173.09589	8.6
181.12219	13.3
190.82016	4.7
191.10715	11.9
191.14253	26.7
209.11713	42.7
227.12720	22.0
246.04137	4.9
332.77484	5.3
353.16177	6.0
371.14517	100.0
372.14783	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	371.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99152	5.8
53.03949	11.7
53.12876	6.1
55.01871	7.1
55.05511	20.3
57.46440	6.0
61.96939	5.7
64.88452	6.6
67.05518	22.2
69.03436	15.6
70.81207	8.5
70.81527	12.3
79.05499	19.6
81.03423	32.8
81.07052	17.9
83.04984	18.7
83.08613	11.4
84.08156	12.0
85.02901	15.2
89.62145	5.8
91.05482	21.7
93.07054	24.9
95.04991	12.3
95.08624	9.5
96.99364	5.7
97.02914	16.2
97.06523	12.9
98.97578	6.9
99.04474	12.2
101.06006	7.1
104.86709	6.1
105.07062	14.0
105.71643	6.4
107.04934	9.2
107.08605	25.4
109.02884	23.8
109.10184	14.7
111.04443	16.5
111.08103	8.5
117.07041	11.7
117.97306	6.4
119.08607	12.2
121.06473	6.8
121.10168	21.8
123.08037	13.8
127.03943	18.2
131.08524	6.1
133.10149	25.1
135.11679	10.6
135.49707	6.5
145.10158	17.4
147.04431	10.5
163.11229	23.7
178.39404	7.0
181.12242	7.0
191.10670	16.2
191.14281	13.1
205.65370	7.3
209.11641	15.0
209.15421	12.3
227.12730	12.1
251.09325	8.5
269.10730	6.9
371.14948	100.0
371.22546	17.2
372.15137	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	371.1679
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
56.96558	0.4
57.03426	0.6
69.03404	0.5
69.22700	2.1
70.06599	1.0
71.04977	0.4
72.08154	0.4
73.04746	0.4
73.45181	0.4
74.88792	0.4
81.03442	0.8
83.05013	0.5
85.02905	0.9
91.05850	0.9
91.61641	0.4
97.02914	0.9
109.02706	0.8
110.32416	0.5
130.04994	0.4
152.07127	0.6
181.12035	0.4
189.07193	0.9
191.10457	3.6
193.11996	0.6
201.03697	1.0
203.05275	23.1
209.04524	1.3
209.07889	0.6
285.00952	0.5
299.10986	0.9
301.12775	0.6
339.19107	0.5
355.07047	0.4
371.12988	5.8
371.16821	100.0
372.12711	0.7
372.17081	6.8
372.21231	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1675
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
63.53563	0.5
67.05495	0.8
69.03424	1.4
70.06572	0.7
71.29653	0.5
79.05495	1.0
81.03394	1.4
84.04504	0.9
85.02911	1.8
93.07052	0.7
95.04969	1.4
95.08620	0.7
97.02888	0.9
107.08597	0.9
121.06592	0.7
121.10109	0.9
130.05020	0.8
130.08667	0.8
135.11624	0.6
140.35968	0.6
142.13983	0.6
149.09521	0.6
158.39276	0.6
162.08391	0.7
165.05527	0.7
182.11783	1.2
191.10542	0.6
193.11996	10.8
201.03735	5.5
203.05273	9.5
209.07843	1.4
267.05252	0.6
285.09552	0.8
313.09192	0.7
313.12582	8.8
353.10483	0.8
371.16742	100.0
372.17093	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	371.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
63.53563	0.5
67.05495	0.8
69.03424	1.4
70.06572	0.7
71.29653	0.5
79.05495	1.0
81.03394	1.4
84.04504	0.9
85.02911	1.8
93.07052	0.7
95.04969	1.4
95.08620	0.7
97.02888	0.9
107.08597	0.9
121.06592	0.7
121.10109	0.9
130.05020	0.8
130.08667	0.8
135.11624	0.6
140.35968	0.6
142.13983	0.6
149.09521	0.6
158.39276	0.6
162.08391	0.7
165.05527	0.7
182.11783	1.2
191.10542	0.6
193.11996	10.8
201.03735	5.5
203.05273	9.5
209.07843	1.4
267.05252	0.6
285.09552	0.8
313.09192	0.7
313.12582	8.8
353.10483	0.8
371.16742	100.0
372.17093	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	371.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.5
53.03943	8.5
55.01874	31.9
55.05514	49.4
57.03440	12.9
57.07066	2.5
59.05005	7.7
65.03931	1.5
67.05507	35.2
69.03430	26.9
69.07072	11.5
69.34197	5.2
69.46968	0.9
69.92638	1.0
71.01350	5.2
71.04653	1.2
71.05001	13.0
73.02901	3.2
77.03913	1.1
79.05494	51.3
81.03419	65.8
81.07058	42.0
82.03750	1.6
83.00847	0.9
83.01344	28.6
83.04985	36.0
83.08618	30.0
83.09113	1.5
85.02908	29.9
85.06548	3.5
91.05479	34.9
93.07046	66.8
95.04965	15.7
95.08606	19.8
97.02286	1.6
97.02892	25.8
97.06541	13.8
97.10168	3.1
99.04459	16.8
99.08078	1.9
103.05451	3.0
105.04470	1.2
105.07027	23.9
107.04961	21.0
107.08603	25.8
109.02885	23.7
109.06524	16.5
109.10137	5.0
110.09983	0.9
111.04443	11.2
111.08073	5.0
111.11743	1.6
115.03907	1.1
115.05429	2.0
117.07018	20.8
119.08583	23.4
121.06512	9.3
121.10148	19.5
122.10413	1.2
123.04440	1.5
123.08067	21.0
125.05991	4.8
125.09620	5.5
127.03917	29.9
128.06201	1.2
129.06995	3.8
130.07809	5.0
131.04924	1.8
131.08575	11.1
133.10149	4.4
135.04385	1.4
135.08043	6.1
135.11694	38.0
136.11984	1.1
137.09627	4.5
138.05460	0.9
139.07532	2.2
143.08548	2.2
145.04980	4.4
145.06480	2.8
145.10124	42.7
146.10466	1.8
147.08055	5.4
147.11700	2.6
149.05940	1.1
149.09619	3.1
149.13124	1.0
151.11118	1.2
153.12740	15.2
154.75645	1.1
155.08530	4.4
161.09425	1.0
163.11183	100.0
164.11543	3.9
165.09134	1.4
173.09634	13.1
181.12253	18.6
191.10654	15.7
191.14331	4.1
195.12177	1.3
209.11732	52.4
210.12035	1.7
227.12775	28.8
228.13208	1.1
235.57413	0.9
281.13858	0.9
311.14792	1.9
353.16000	13.5
371.16364	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	371.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58975	14.9
53.03942	14.9
55.01867	27.2
55.05505	62.8
57.03414	18.5
67.05492	53.6
69.03421	42.7
69.23292	100.0
71.04992	30.0
73.56997	13.3
76.33845	14.2
79.05487	63.3
81.03426	73.3
81.07047	61.6
83.01356	24.2
83.04978	48.8
83.08631	34.5
85.02906	41.2
91.05463	73.7
93.07055	99.2
95.04976	53.0
95.08615	41.5
97.02893	48.6
97.06546	24.1
98.23457	17.0
99.04480	17.1
105.07009	36.3
107.04990	33.4
107.08587	66.6
109.02887	31.3
109.06507	22.8
109.10177	16.6
111.04459	28.4
111.08095	17.1
116.85777	15.7
117.07041	23.5
119.08594	19.6
121.10146	43.8
127.03874	36.1
129.06972	20.5
131.08513	14.5
135.11711	35.7
145.10124	62.6
147.04298	13.7
151.11201	28.8
153.09138	25.8
163.11151	98.6
163.14857	15.4
181.12270	17.2
191.10677	26.6
191.14319	35.1
209.11725	69.4
209.15401	27.7
227.12686	35.7
371.16360	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01646	0.7
53.01142	0.9
53.03940	7.3
54.00541	0.8
55.01872	27.4
55.05513	48.9
55.36982	0.9
55.58947	0.9
56.05860	0.9
57.03433	17.2
57.07071	2.4
59.05005	7.4
61.02915	1.6
65.03946	1.0
66.92435	0.8
67.05505	29.1
69.03430	34.1
69.07066	11.2
69.23428	2.8
69.23857	4.0
71.01366	4.6
71.04999	10.5
73.02901	2.6
77.03938	1.1
79.05491	47.0
80.05823	1.6
81.03418	61.3
81.07056	38.0
82.03748	1.3
83.01341	26.6
83.01805	1.9
83.04986	31.8
83.08617	30.7
83.56403	0.9
85.02902	32.6
85.06541	2.1
86.03247	1.1
90.11440	0.8
91.05475	36.0
93.07044	57.7
94.07390	2.3
95.04969	15.5
95.08611	17.0
95.09167	1.5
97.02893	25.0
97.06538	13.4
97.10151	2.5
98.03204	1.1
99.04454	16.7
99.08133	1.1
99.83933	0.9
101.02348	1.8
103.05483	2.1
105.04531	1.7
105.07030	23.0
106.07375	1.6
107.04349	0.6
107.04961	22.1
107.08598	31.3
108.08935	1.5
109.02877	25.2
109.06511	15.8
109.10138	5.9
111.04449	10.5
111.08086	6.2
113.06047	1.1
115.05454	2.3
116.06265	1.3
117.07017	20.7
118.07381	1.8
119.08584	19.7
120.08966	1.1
121.06508	9.6
121.10139	20.4
123.04449	2.9
123.08068	22.8
125.06010	4.9
125.09641	4.7
127.00504	0.9
127.03915	31.3
128.06282	0.9
129.05478	1.1
129.07018	4.3
130.07770	3.2
131.04884	2.2
131.08569	11.2
133.06499	1.3
133.10121	5.2
135.08083	6.6
135.11690	33.9
136.12003	1.0
137.09645	5.1
137.13191	0.9
138.05466	1.3
139.07561	2.1
143.08612	2.0
145.04991	6.2
145.06491	2.7
145.10124	46.3
146.10472	1.3
147.08078	6.8
147.11665	2.8
149.05890	0.9
149.09625	3.9
151.11153	1.0
153.12741	15.0
155.08556	4.5
161.09570	0.9
163.11180	100.0
164.11530	7.4
165.09070	1.5
173.09612	12.1
181.12239	18.6
181.42331	0.9
191.10667	15.7
191.14259	6.0
192.11096	1.5
195.12103	1.7
209.11717	52.0
210.12044	4.7
227.12781	30.2
228.13087	1.7
311.14713	1.1
353.15985	12.9
371.16806	1.0
392.68597	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2062
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03936	1.9
53.16774	0.8
54.97716	1.1
55.01870	2.1
55.05519	2.6
57.03432	2.5
61.02924	3.4
67.05492	3.0
69.03432	15.2
69.07065	3.4
70.81306	1.0
71.38113	1.3
78.94318	1.1
79.05484	4.5
81.03424	10.6
81.07062	5.9
83.04971	4.2
83.08599	1.9
85.02900	25.4
91.03967	1.5
91.05482	4.5
93.07050	4.1
95.04977	5.8
95.08601	4.1
97.02898	8.0
97.06502	2.3
99.04428	3.3
105.07008	4.5
107.04965	1.5
107.08590	11.4
109.02875	3.4
109.06547	5.9
109.10206	2.3
119.08578	4.2
121.06485	2.7
121.10142	10.1
123.08041	5.9
123.11686	3.9
127.03926	6.1
131.08575	1.9
133.10117	2.9
135.08040	4.8
137.09601	13.1
137.13303	1.2
145.04964	4.7
147.11684	3.4
149.09610	10.9
149.13272	4.9
151.11183	12.0
163.11218	3.1
165.12749	45.2
173.13240	2.3
191.14302	16.7
193.15891	2.0
209.15363	100.0
210.15747	5.4
371.16492	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	371.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03451	20.9
70.84903	49.5
70.95251	25.3
83.04971	24.7
107.08586	28.0
131.48227	25.2
133.10146	100.0
141.17273	25.5
168.69519	25.7
215.02228	22.3
293.80536	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	371.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56015	3.2
53.03935	10.1
55.01870	29.7
55.05511	48.7
57.03448	16.8
59.04982	5.5
67.05505	36.4
69.03419	30.3
69.07077	16.2
69.72902	11.4
71.01366	5.5
71.04985	8.4
79.05488	54.3
80.65755	2.9
81.03417	66.7
81.07052	48.9
83.01341	25.4
83.04976	30.6
83.08626	23.3
85.02901	28.4
88.07624	3.0
91.05469	31.9
93.07043	71.5
95.04976	20.6
95.08613	29.7
97.02873	28.2
97.06541	18.5
97.10145	3.9
98.22639	3.7
99.04469	21.3
105.07011	25.3
107.04963	19.1
107.08579	36.4
108.98404	3.1
109.02880	26.0
109.06511	14.9
109.10181	7.7
111.04440	9.9
111.08057	8.1
117.06994	15.6
119.08566	23.8
121.06520	9.0
121.10153	27.6
123.08069	17.5
125.05998	8.3
125.09615	5.2
127.03930	32.1
130.07765	6.4
131.08551	12.6
133.10124	9.8
135.08022	6.9
135.11688	42.7
137.09613	4.7
143.08548	3.8
145.04959	5.0
145.10130	47.0
147.08029	6.5
147.11700	10.3
149.09630	6.4
153.12724	13.5
155.08653	3.8
163.11176	100.0
164.11519	4.2
165.09033	3.6
173.09570	8.6
181.12225	26.2
182.12573	4.4
191.10666	14.5
191.14301	22.2
191.15750	3.6
195.12157	6.0
201.03709	6.8
203.05089	5.1
209.11691	35.7
227.12753	72.0
262.56741	3.5
351.98203	3.1
353.15924	11.4
371.16736	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2064
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
52.94537	0.9
53.03947	1.6
55.01867	2.7
55.05511	5.5
57.03442	2.6
57.07079	4.1
58.34598	0.8
61.65570	0.8
67.05511	4.8
69.03428	17.6
69.07065	3.9
69.43047	4.3
70.06604	1.3
71.04990	1.4
73.02922	2.0
79.05487	3.3
81.03425	3.2
81.07054	7.2
83.01366	1.1
83.04978	10.9
83.08619	3.2
85.02914	8.2
85.06561	3.4
89.08504	0.9
91.05453	4.3
93.07031	6.0
95.04971	1.7
95.08615	10.0
97.02913	4.1
97.06516	2.4
99.04489	1.4
99.08081	1.8
100.07612	5.1
100.11256	9.2
102.75183	1.0
103.98877	0.9
105.07014	5.4
105.48970	1.0
107.04945	1.8
107.08588	16.9
109.02897	1.7
109.06518	11.3
109.10182	3.4
110.41129	1.2
111.04465	4.7
111.08078	10.7
112.07624	1.1
115.05456	1.0
119.04904	0.9
119.08585	4.2
121.06521	1.8
121.10145	9.8
123.08053	4.4
123.11723	3.6
125.09630	30.1
126.09110	1.2
127.03934	6.0
128.07114	3.9
131.08586	6.3
133.10150	9.0
134.61502	0.9
135.08057	23.4
135.09094	1.2
135.11678	8.0
140.07077	1.3
143.08551	2.2
145.04880	1.0
145.10126	4.2
147.04393	2.1
147.11674	3.8
149.09610	9.7
149.13261	5.9
150.10416	2.5
151.11217	1.4
153.09131	10.3
157.06456	2.1
158.10898	4.0
161.09648	1.6
163.11194	6.5
163.14859	5.2
165.12766	2.5
167.10793	1.5
173.13260	24.5
174.13586	1.0
176.11993	2.9
182.15404	10.0
185.05994	1.7
191.14302	100.0
192.14706	6.1
192.25771	0.8
199.07559	2.5
203.05270	1.8
209.15355	94.4
210.14816	12.9
227.17572	3.3
244.20284	2.2
288.93332	1.0
302.54694	1.1
336.22913	1.2
337.21133	5.5
338.21335	1.2
353.19714	1.7
354.23901	5.3
364.19363	1.0
371.12747	1.6
371.16714	25.2
371.20749	14.4
371.26581	2.7
372.16879	2.7
372.21091	2.6
372.26797	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
62.57938	0.4
67.05493	0.7
69.86198	1.4
69.86604	0.7
94.02930	3.1
98.06052	4.7
98.97598	0.5
107.59507	0.4
110.06039	1.7
119.91991	0.5
124.05743	0.4
126.05523	8.5
128.87901	0.4
138.05518	0.7
162.05400	0.4
170.08128	21.6
171.08490	0.5
178.04750	0.9
192.06308	20.6
193.06627	1.1
203.05289	10.3
204.05629	0.5
210.07414	1.1
300.19775	0.5
342.11688	1.2
372.12650	100.0
373.13013	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	372.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65386	1.7
53.03934	1.8
55.01879	3.6
55.05513	13.7
56.59151	1.7
57.03431	2.8
67.05508	23.4
69.03428	5.4
69.07074	11.8
70.17482	2.7
70.17828	4.7
77.40506	2.1
79.05498	13.2
81.03407	7.0
81.07053	22.0
81.37849	2.3
83.04984	6.6
83.06134	2.1
83.08620	8.5
83.84559	1.9
84.04498	6.8
84.81621	2.0
85.02903	5.1
85.50337	1.8
91.05478	21.8
93.07035	9.5
95.04976	4.2
95.08607	25.0
97.06510	2.7
103.05452	2.2
104.07122	1.7
105.07024	24.8
105.07675	2.3
105.30284	1.9
106.07366	2.2
107.04986	3.6
107.08592	23.7
108.08940	2.5
109.06510	2.4
109.10167	18.9
111.04442	5.6
111.08101	4.2
115.94444	1.9
117.07038	6.4
119.08575	99.2
120.08908	3.9
121.06487	2.5
121.10149	5.3
123.08065	22.4
123.11671	1.9
125.09618	3.4
126.12827	2.2
130.05032	5.1
131.08592	3.3
133.10098	14.8
134.10522	1.8
135.11705	2.2
137.05974	22.3
145.10185	2.3
147.07787	1.9
147.11699	4.8
151.07507	8.5
161.20222	1.8
163.11166	4.1
175.14806	46.3
181.12259	3.0
191.10815	2.1
200.52061	2.0
201.05360	3.1
209.11522	2.0
226.14346	2.6
227.12819	5.6
244.15564	4.2
325.10770	2.9
337.10742	2.8
342.10587	3.4
355.18390	2.5
355.25714	3.6
372.17117	13.1
372.25735	10.3
373.18878	12.3
373.26950	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	372.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.05512	5.2
57.07081	8.0
58.19706	0.8
60.04271	1.0
60.04529	13.5
66.86154	0.8
67.05492	3.4
69.07069	8.6
70.06590	2.6
71.08631	4.9
78.01114	3.5
81.07060	8.3
83.08613	3.5
84.04515	1.2
84.08132	1.1
85.10153	2.3
87.04475	4.8
89.01587	0.9
91.05779	1.0
95.08609	6.1
97.10164	3.3
98.22653	2.3
109.10128	2.4
123.11717	2.0
129.97929	0.9
188.89108	1.0
209.33076	1.0
268.30014	6.2
316.20694	0.9
330.29221	15.1
331.29797	0.9
372.30270	100.0
373.30643	9.7
374.63757	0.9
390.60068	0.8
395.88113	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1105
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
56.59575	0.5
57.22845	0.6
59.04993	0.9
69.01505	6.3
69.03430	1.3
70.06593	1.7
73.02918	0.6
81.66580	0.6
85.02888	0.8
86.06049	1.0
95.04969	0.5
97.02911	0.8
101.06035	3.6
108.08145	0.7
124.41831	0.6
125.05758	2.0
136.07574	1.7
137.05885	0.7
152.07120	0.8
154.08664	1.4
158.99734	0.5
185.04300	0.6
191.60468	0.6
193.14584	0.7
196.09705	1.5
227.05164	2.8
248.41815	0.7
269.09952	0.9
271.04181	2.4
287.10992	9.1
311.10913	1.6
329.12070	46.2
330.12363	2.1
368.90710	0.6
373.11029	100.0
373.14548	4.1
374.11191	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.7
59.05024	1.0
59.63832	0.6
69.62572	1.4
69.62959	1.5
69.81229	0.6
70.06601	1.4
70.84068	0.6
81.03416	1.7
91.05778	0.6
91.58917	0.6
95.06025	0.6
97.02888	1.0
98.97547	0.7
101.05996	1.8
108.08107	0.8
125.05779	1.4
185.04208	1.0
211.05777	1.6
211.14511	1.1
227.05296	2.2
271.04282	1.3
275.11108	1.1
287.11029	7.8
299.10544	0.7
311.11053	1.4
314.12079	0.7
329.12061	40.3
330.12363	2.2
353.92612	0.6
359.90997	0.7
373.10983	100.0
373.14651	6.8
374.11313	5.9
374.14645	0.6
394.25629	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24613	0.6
55.05515	0.7
67.05503	1.5
68.05035	0.6
70.56036	1.1
70.56389	1.3
79.05463	1.6
80.05014	0.8
81.03423	1.5
81.07053	1.4
83.04958	0.8
84.04505	5.1
85.02922	1.7
86.06104	0.7
87.04436	0.9
89.17008	0.6
89.51222	0.5
91.05474	4.8
93.07028	2.3
94.04198	1.3
94.06573	0.9
95.04971	1.4
96.04504	1.0
102.05537	0.8
103.05450	0.9
105.07014	1.3
107.04982	1.1
115.05444	1.1
117.07034	0.7
119.04960	2.8
121.06512	1.2
121.10149	1.0
122.03646	3.0
123.04427	0.7
124.03948	0.7
130.04993	5.6
131.04929	1.1
131.08582	1.0
133.89084	0.6
135.04433	1.1
135.07951	0.7
137.05971	23.7
138.06352	0.8
142.05031	1.0
143.04912	1.2
145.02832	1.4
145.06485	2.2
147.04407	3.9
149.06027	1.2
149.09581	0.8
150.06750	1.6
151.03957	0.8
158.03648	1.6
159.04425	0.8
160.05215	1.0
161.05994	2.3
162.06793	1.5
165.07033	0.8
173.06027	4.0
175.03979	0.7
177.05495	1.6
179.06937	0.7
184.13342	2.5
186.03165	1.9
187.03897	1.1
189.05446	0.9
190.07759	0.6
193.11958	1.2
194.07307	0.8
201.05446	16.7
202.05727	1.1
202.14342	6.7
203.07010	1.1
204.04178	1.3
205.06485	2.3
207.06523	1.3
214.02412	0.7
219.06499	3.7
221.06023	1.4
222.06750	1.5
223.07567	1.0
231.06532	1.0
233.05899	1.2
234.06714	0.8
239.07071	0.7
243.11377	1.4
244.12077	4.6
245.12958	1.5
248.12967	1.1
249.05516	0.7
249.08987	0.8
250.06248	1.4
250.14507	0.9
251.06789	1.1
253.08574	0.8
254.43654	0.6
262.06424	0.8
265.08594	2.3
266.13876	2.4
267.06424	1.1
271.10843	0.8
276.12369	1.9
277.08563	1.5
282.40067	0.7
283.09741	0.8
292.07187	1.1
292.15607	1.0
293.07986	3.4
294.08865	0.9
305.08020	1.2
307.09647	3.6
309.11087	1.2
311.13687	0.8
323.09253	1.3
325.10721	6.4
329.16959	0.9
337.10400	1.6
339.13248	0.8
355.11624	2.2
355.18518	0.7
357.14343	4.2
373.18307	100.0
374.17645	11.6
389.36063	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75218	1.1
53.03942	1.6
55.01884	1.8
55.05513	8.8
55.46952	1.2
56.05849	1.3
57.03422	1.9
65.03938	1.9
67.05507	2.5
69.03394	1.8
69.07051	1.2
70.06583	2.4
71.28650	1.7
77.46146	1.2
79.05496	2.5
81.03406	1.8
81.07035	1.9
82.06611	1.1
83.04984	17.0
83.08626	1.1
83.91213	1.1
84.04497	1.7
85.02914	2.5
85.06569	1.6
86.06064	1.5
91.05482	7.0
93.03395	1.5
93.07027	1.9
94.04239	1.4
95.04963	2.6
97.06531	2.0
100.07602	2.7
100.11254	5.9
101.11585	2.1
101.74982	1.2
105.07043	2.5
107.04971	3.0
107.08589	1.1
109.06520	3.7
111.04473	6.9
112.04810	1.5
115.05450	5.4
116.61055	1.2
117.07011	2.5
119.04933	6.4
121.10115	2.1
122.03628	1.7
124.05275	1.4
128.07062	3.2
128.70155	1.2
129.62773	1.1
130.04175	2.6
133.06471	1.4
135.04433	3.9
137.05984	22.2
140.07159	1.3
141.03664	1.2
143.04875	2.2
145.06511	5.1
147.04483	5.7
149.02353	5.4
149.05998	2.1
150.06787	3.6
151.03893	4.8
158.03659	6.5
160.05197	1.6
161.06015	1.5
162.06709	1.4
164.07097	1.4
165.09113	1.2
173.05991	14.7
175.03931	3.7
175.07527	2.1
177.05492	1.9
179.03407	55.9
180.03712	2.0
182.15463	5.5
183.15802	6.5
186.03178	5.8
194.07298	2.6
195.06657	1.3
201.05470	88.3
202.05859	4.1
205.06544	5.1
206.07251	1.7
207.08018	1.7
210.14856	6.8
211.07584	2.5
211.15227	8.7
212.12836	3.4
219.06552	7.7
221.06076	2.2
222.06796	5.2
223.07472	1.6
225.09085	1.2
229.16319	1.9
233.06032	4.9
234.06752	4.8
235.07466	2.0
236.23898	1.2
237.09161	5.3
239.46031	1.2
246.18953	1.5
249.05598	1.6
249.09190	1.2
250.06288	4.6
251.06819	2.7
261.05652	2.2
263.07242	1.8
264.07809	1.6
265.08658	9.1
277.08780	1.9
278.05585	1.6
292.07275	4.1
293.08087	11.3
297.11313	3.6
305.08041	2.7
307.09567	8.4
310.08475	1.8
325.10718	23.2
329.15805	9.3
330.15836	1.2
337.10922	2.2
338.21500	5.8
343.11658	1.8
355.11816	4.3
355.24057	2.6
356.22504	4.0
373.14169	3.7
373.18344	100.0
374.18680	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	373.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.0
55.05505	7.3
56.88112	0.9
57.03424	1.7
58.06599	0.7
65.03923	1.1
67.05491	2.7
68.05057	1.0
68.33540	0.9
69.03423	1.5
79.05487	2.3
79.35200	0.8
81.03417	2.3
81.07056	2.6
83.04979	11.5
84.04507	3.3
85.02899	2.6
86.09655	1.3
90.32978	0.8
91.05479	5.9
93.03391	1.5
93.07047	1.5
95.04936	1.1
95.08585	1.3
100.07602	2.3
100.11256	3.4
101.11555	1.1
102.04644	1.0
103.05443	2.2
105.03344	1.5
105.07009	2.3
107.04952	1.8
107.08572	1.1
109.06530	0.9
111.04424	4.7
115.05463	3.5
117.07002	2.0
119.04956	8.4
121.02874	1.0
121.13594	1.1
122.03646	2.0
124.05190	1.9
130.04143	3.1
130.05011	1.8
131.05028	1.0
133.02835	1.9
135.04399	2.4
137.05966	26.1
139.03883	1.2
140.07056	1.3
143.04912	2.7
145.02855	0.9
145.06479	5.8
145.10100	0.9
147.04433	7.2
149.02342	1.8
149.05963	2.2
150.06754	4.1
151.03877	2.1
151.07568	1.1
158.03609	7.1
159.04413	1.5
160.05119	1.2
161.05952	1.8
162.06749	2.4
165.07108	0.9
173.05988	15.6
175.03912	4.6
175.07573	2.0
177.05533	2.1
177.06915	1.7
179.03400	15.3
179.06985	1.7
182.15407	3.5
183.15695	2.9
186.03140	4.6
189.05470	2.2
194.07198	2.5
198.09186	1.4
201.05461	100.0
202.05746	4.2
202.14293	1.4
203.05328	2.1
205.06491	7.6
206.07268	2.6
207.06444	1.4
210.14883	2.1
210.59517	0.9
211.04047	1.2
211.07605	1.1
211.15225	3.5
217.06477	1.4
219.06412	8.9
221.06024	2.3
222.06709	4.0
223.07376	1.9
228.18102	1.0
229.16377	1.6
231.06462	2.3
233.05945	5.8
234.06683	3.7
237.09023	4.8
245.06042	1.3
247.07610	1.2
248.08275	1.3
249.05458	1.9
249.09160	2.0
250.06265	5.5
251.07056	2.1
261.05475	1.5
262.06174	2.2
263.06949	1.2
265.08582	11.5
266.09277	2.8
273.05499	1.2
277.08585	3.0
278.05661	2.8
279.06586	1.8
281.08063	0.9
282.08878	1.3
290.05670	2.0
292.07278	5.7
293.08023	11.2
294.08716	2.0
297.11108	4.4
305.08066	3.4
307.06354	1.7
307.09604	11.9
310.08435	1.6
322.08389	1.3
325.06680	1.5
325.10638	28.8
326.10977	2.1
329.15704	3.0
337.10696	2.6
338.21484	4.0
355.11737	5.9
373.18271	78.3
374.18561	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	373.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
53.07845	0.4
57.03427	1.0
57.29090	0.4
67.05506	0.9
69.03431	0.7
75.04478	0.6
79.05514	0.6
81.03417	1.1
81.07047	1.0
83.04946	0.7
84.04505	3.0
85.02914	1.6
87.04474	0.7
89.03939	0.5
91.05468	2.2
93.07074	1.0
95.04967	0.6
95.08608	0.7
95.56039	0.5
96.04478	0.5
97.02905	0.6
97.24704	0.4
98.23458	0.9
105.07016	0.8
107.04929	0.6
108.08107	0.6
109.06519	0.4
112.03919	0.5
115.05467	0.9
116.14083	0.5
119.04893	0.9
119.08556	0.6
119.20438	0.4
120.08138	0.7
121.10152	0.5
122.03648	0.9
127.03931	0.6
130.05029	2.2
131.08588	0.7
135.04353	0.5
136.07588	3.0
137.05972	9.4
138.09157	3.1
145.02827	0.7
145.06458	1.3
147.04440	1.1
148.11266	0.7
149.06010	0.6
149.09694	0.5
153.32236	0.5
158.03619	0.6
160.05161	0.5
161.06007	0.8
162.06790	0.5
165.90820	0.4
166.12306	0.9
173.05998	1.3
176.10739	1.2
177.05551	1.3
184.13335	1.2
186.03104	0.5
193.12109	0.7
194.11771	1.4
201.05472	6.5
202.05899	0.5
202.14438	2.9
205.06476	0.8
207.06544	1.2
211.12947	0.5
212.12820	10.2
212.48239	0.6
219.06456	1.1
221.05905	0.6
233.06009	0.8
234.06804	0.6
237.09171	0.6
241.08534	0.5
244.12033	1.1
250.06378	0.6
253.08626	0.6
265.08517	1.2
266.13980	0.9
276.12354	0.6
277.08539	0.6
281.08029	0.5
293.08069	0.9
297.11621	0.8
305.08191	0.7
307.09692	1.6
310.08374	0.7
323.09052	0.7
325.10751	2.9
329.15768	3.2
337.10767	0.8
357.14420	0.6
373.18347	100.0
374.18527	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	373.1831
Annotation	17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate
Peak:m/z	Relative Intensity
56.92152	0.3
57.78874	0.3
70.95602	0.6
73.48870	0.3
81.17784	0.3
103.95017	0.3
137.05934	0.6
148.80891	0.3
173.06047	0.4
197.97125	0.3
201.05495	1.3
201.36360	0.3
211.13028	0.8
325.10574	0.6
373.18307	100.0
374.13748	0.4
374.18674	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	373.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79624	0.7
69.51875	3.8
70.72787	0.8
84.23447	0.8
90.12909	0.7
98.22679	1.0
117.03452	1.2
145.02873	2.6
149.95512	0.8
160.19389	0.8
177.05484	6.8
193.12053	3.5
195.06570	2.2
195.13574	25.0
199.55534	0.8
201.03723	25.9
202.03998	0.8
203.05269	10.1
211.09462	1.8
373.14572	8.6
373.18430	100.0
374.18814	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	373.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
66.33858	0.6
69.11880	2.9
85.02912	1.2
85.32986	0.5
99.28717	0.6
102.37270	0.6
104.18380	0.5
117.03339	1.6
131.82315	0.6
137.05978	0.5
145.02844	2.2
149.05942	0.6
154.66414	0.5
157.17635	0.5
177.05493	6.9
193.12090	2.6
194.12346	0.6
195.06580	2.9
195.13576	17.5
196.13924	1.2
201.03717	19.0
202.04079	0.8
203.05276	11.4
203.07056	1.0
373.18359	100.0
374.18668	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
55.05514	0.9
57.03437	0.6
67.05502	1.0
69.03429	0.8
69.22301	1.1
69.22729	1.4
70.06595	0.5
79.05505	0.9
81.03411	0.8
83.04982	1.4
84.04513	2.5
85.02908	1.1
86.06075	0.4
91.05473	1.6
91.48454	0.3
92.60672	0.4
93.07035	0.7
95.04971	0.7
95.08639	0.4
95.66151	0.4
96.04481	0.4
97.02889	0.5
105.07039	0.7
107.04963	0.4
107.08585	0.6
109.10143	0.6
114.05512	0.6
115.05489	0.4
117.03366	0.4
119.04985	0.4
119.08569	0.4
121.06542	0.4
121.10182	0.6
122.03645	0.5
122.06001	0.4
123.08101	0.5
124.07571	0.4
125.05962	0.4
129.07036	0.4
130.05019	1.2
131.08582	0.5
133.06474	0.5
135.04427	0.6
136.07523	0.8
136.97681	0.3
137.06000	5.8
138.09137	1.0
145.02901	0.9
145.06531	0.4
145.10078	0.5
147.04468	0.8
149.06042	0.6
149.09625	0.5
151.03854	0.4
161.05995	0.5
162.06837	0.4
165.06970	0.4
173.06056	0.7
176.10825	0.5
177.05478	2.7
184.13312	1.2
189.05576	0.5
193.09703	0.5
193.12082	0.8
195.06575	1.4
200.12836	0.4
201.05470	4.0
202.14389	3.1
203.05287	1.1
207.06561	0.4
209.11778	0.6
211.09470	0.6
211.13133	0.5
212.12813	2.7
219.06609	0.6
221.06073	0.4
232.06845	0.4
244.11942	0.3
245.13297	0.3
245.70082	0.3
248.12924	0.7
250.06410	0.4
250.14525	0.5
265.08463	0.5
266.13959	1.2
276.12317	0.7
277.08676	0.5
293.08017	0.7
294.13385	0.4
307.09708	0.9
325.10788	1.8
329.15714	4.0
330.15500	0.6
337.11136	0.5
355.11630	0.5
355.18835	0.5
362.42642	0.4
373.18356	100.0
374.18610	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	373.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01595	4.1
55.01880	6.6
55.05509	16.1
67.05502	33.6
69.03423	12.7
69.07050	16.0
71.01365	9.8
79.05470	15.8
81.03438	7.7
81.07049	20.4
83.04965	13.8
83.08617	7.0
85.02901	14.6
91.05467	8.8
91.69324	4.4
93.07029	12.0
95.04975	41.7
95.08614	25.9
97.06518	34.7
105.07016	7.1
107.08592	12.7
109.02885	6.1
109.06529	9.4
109.10153	30.7
110.10431	4.6
111.08087	15.1
112.53731	4.1
119.08612	22.9
119.09686	4.4
121.10178	11.1
123.08070	11.6
123.11675	8.1
131.04909	4.8
133.10112	14.2
135.11693	15.3
137.09622	33.3
147.11723	5.4
161.06064	4.4
167.08636	5.7
173.06047	6.3
175.14851	18.8
176.05821	5.5
185.06006	5.2
193.15855	28.6
195.08066	5.4
199.07571	6.6
201.05556	4.3
201.09146	6.6
211.07623	4.6
211.16943	100.0
212.17320	8.5
213.09027	5.5
241.08583	6.2
241.12274	13.9
244.12152	7.1
259.09692	6.5
265.12170	5.1
267.13962	4.9
311.12869	13.4
353.51004	4.9
355.15353	31.0
357.14355	6.3
373.17291	38.2
374.17078	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	373.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
53.88322	0.3
55.01872	1.1
55.05519	1.7
56.05024	1.0
57.03440	1.6
57.07069	0.3
59.04988	0.5
63.55976	0.3
65.03958	0.4
67.05506	16.4
69.03428	1.3
69.07075	2.0
69.12767	2.4
70.06598	0.4
71.04995	0.4
71.06104	0.4
79.05497	6.8
81.03419	1.3
81.07059	14.2
82.07395	0.3
83.04972	1.1
83.06107	1.5
83.08603	1.6
85.02911	0.5
85.06546	0.9
91.05479	2.7
93.07059	2.7
95.04986	1.4
95.08609	12.7
96.08955	0.5
97.06554	1.7
98.23380	0.5
99.08095	0.5
105.06384	0.6
105.07034	7.2
107.04961	1.3
107.08588	2.7
109.06527	1.3
109.10155	16.9
110.10507	0.5
111.04430	0.4
117.06989	0.7
119.08572	2.4
121.10119	1.7
123.08071	19.2
123.11686	1.6
124.08413	0.8
125.05970	0.4
126.12801	0.9
127.07572	0.5
127.11198	2.5
131.08611	1.5
133.06497	1.6
133.10109	2.1
135.08058	0.7
135.11665	0.9
136.11206	0.5
137.05974	1.2
137.09624	0.4
141.09097	1.4
144.13864	0.8
145.10141	1.0
147.11755	0.7
149.09692	0.6
149.13359	0.5
151.07545	8.2
151.11197	1.2
152.10713	0.8
153.13881	1.1
159.11729	0.7
161.09639	0.7
161.13261	0.6
165.09070	0.4
169.08627	0.9
171.14941	0.7
173.13301	0.6
179.10693	0.5
184.09705	0.6
187.09708	1.0
193.12366	0.4
205.12241	0.4
215.17921	0.4
225.08801	0.3
229.19508	0.6
239.17992	0.4
251.20067	0.3
257.19028	0.4
275.20029	1.1
293.21024	1.6
295.23831	0.4
299.10452	0.3
301.12833	1.4
311.22232	1.3
311.26834	0.5
313.24823	0.6
337.24881	0.4
341.15738	0.7
355.25949	3.7
373.18414	8.8
373.26959	100.0
374.17554	0.4
374.27313	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	374.0847
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	2.0
57.18784	1.3
61.02912	2.4
69.03426	4.0
70.06585	2.9
81.03413	3.1
82.06557	2.8
84.08138	1.8
85.02908	7.3
94.06568	29.8
96.08131	6.0
97.02905	4.6
98.97568	5.4
101.00899	9.6
101.05977	3.6
108.08096	4.2
113.00851	4.6
115.02415	4.3
116.98623	2.1
119.01934	17.6
127.02439	3.1
127.03917	4.3
131.01921	20.3
133.03456	4.4
136.07597	2.1
137.02962	1.9
142.21773	1.6
143.01903	10.5
145.03464	17.8
147.01390	2.0
149.02928	2.3
150.31958	1.7
151.02344	1.7
151.12225	1.9
152.07082	23.6
154.08664	2.9
154.92686	1.5
155.01955	12.2
156.02670	6.2
156.54152	1.7
157.03442	12.4
159.01317	2.6
161.02954	14.8
163.04568	3.8
169.03465	7.1
171.05014	5.8
173.02956	18.1
175.04538	3.2
177.00700	3.1
181.03455	4.8
183.05034	4.5
185.03001	4.1
187.04529	4.3
191.03993	1.7
193.03539	2.2
195.11279	7.5
197.02951	3.7
197.12854	6.2
199.04520	4.1
201.02461	2.7
203.03944	9.9
209.02995	2.4
211.04509	6.5
213.02409	1.7
221.05055	43.1
223.04550	5.5
231.03415	1.8
237.02748	4.7
241.05531	8.0
245.05136	1.9
257.05029	4.0
259.06641	30.2
267.03558	1.7
271.06570	15.7
274.12927	3.3
285.04504	7.4
289.07620	3.5
303.05692	3.5
326.93320	1.8
333.06763	20.5
351.07773	1.9
374.08444	100.0
375.07938	6.9
375.17587	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	374.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.6
55.01854	0.9
56.96575	1.8
59.34285	0.7
60.54558	0.7
61.02928	2.2
63.02395	0.7
69.03432	4.5
70.06609	1.0
70.26897	2.5
71.04995	1.3
72.08172	0.9
73.02936	0.9
81.03423	2.4
85.02907	14.7
85.03379	1.4
87.04470	1.1
89.03914	4.8
89.82444	0.7
90.86228	0.9
91.03945	1.2
91.05474	0.9
97.02898	6.2
98.97601	1.6
107.04931	0.8
109.02893	1.8
110.97555	0.8
117.03394	14.8
127.03915	5.2
134.03621	1.2
135.04424	1.8
139.06468	0.8
144.04793	1.9
145.02850	41.1
145.04965	4.0
146.03169	1.2
149.06001	8.3
153.05505	0.8
162.03139	1.1
163.03940	4.1
177.05481	100.0
178.05867	3.8
180.08714	1.2
195.06548	40.8
196.06891	1.4
199.65744	0.8
212.09618	1.7
213.04272	3.8
213.11005	0.9
231.05411	8.8
240.22240	0.8
243.11444	0.8
244.11993	0.8
255.05339	4.9
273.06476	2.7
343.10138	1.0
374.14780	9.5
375.09839	6.6
375.16568	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	374.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18964	1.0
57.03442	1.2
61.02924	2.6
64.62909	1.0
69.03432	4.9
69.19908	7.8
81.03420	1.9
85.02909	15.1
89.03924	4.3
90.73805	1.0
97.02891	4.3
98.22625	2.2
117.03381	15.6
127.03910	3.0
134.03691	1.5
145.02840	42.0
145.04939	3.5
145.66966	1.1
146.03198	2.9
149.05939	9.2
162.03197	1.2
163.03899	3.9
177.05467	100.0
178.05812	4.0
180.08662	1.1
194.21410	1.1
195.06528	49.4
196.06950	1.5
289.17386	1.2
306.36041	1.2
333.69165	1.1
374.18619	2.2
375.19812	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	374.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.7
55.01881	1.8
55.05513	1.6
56.50904	0.7
57.03394	0.9
59.05003	40.3
68.05025	2.4
69.03433	15.4
69.40980	0.8
69.52078	4.8
69.55884	1.0
70.06593	3.2
71.01363	1.2
71.04991	1.6
73.02930	1.0
79.05506	1.7
80.05032	0.9
81.03416	3.3
81.07056	2.0
84.04517	9.6
85.02901	3.9
85.06540	9.1
86.06072	25.2
87.04480	4.9
91.05476	3.0
93.05811	1.3
94.06540	2.0
95.01353	1.6
95.04971	1.1
96.04515	6.4
96.08134	3.1
97.02898	11.5
98.06061	7.5
99.04489	0.9
101.06022	100.0
102.06364	2.0
106.06592	1.1
108.04509	0.9
108.08118	21.7
110.05999	1.2
112.03927	1.1
115.03960	1.1
117.06553	0.8
122.06043	1.5
124.03967	3.0
124.07595	9.9
125.02378	1.9
126.09200	0.9
127.03929	2.0
130.08652	1.3
134.06035	3.2
136.07582	38.4
137.08424	4.4
138.09171	4.3
145.02878	1.1
152.07063	13.3
154.08640	31.2
155.08920	1.1
162.05548	1.9
164.07100	8.7
165.07797	1.7
166.08647	2.0
168.10225	6.5
175.03908	1.0
177.05466	2.6
180.06560	16.2
180.66356	0.9
180.67973	1.0
182.08134	16.7
184.09543	1.3
194.08133	13.0
196.07877	1.9
196.09694	39.6
197.10463	3.6
198.07576	1.9
212.09181	21.8
214.10829	3.5
230.73590	1.0
243.22131	0.9
257.06488	1.6
277.25034	1.1
296.11288	2.1
314.12363	18.1
315.12643	1.7
324.10880	1.1
328.13855	1.1
342.11804	12.0
343.12137	1.0
346.14984	1.1
374.14618	8.0
375.16190	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.7
54.05696	5.9
55.01867	12.1
55.05508	49.5
57.03433	22.1
57.07057	17.4
67.05499	100.0
69.07074	48.6
69.83775	26.2
71.04992	41.1
71.08627	53.5
76.15764	8.1
79.05495	72.9
81.03408	14.5
81.07058	64.5
83.04959	15.1
83.08619	20.0
85.06565	7.5
91.05486	77.1
91.06012	10.9
93.07038	62.6
95.04984	21.5
95.08592	36.1
97.06539	13.7
97.10188	15.7
98.23307	7.3
99.08092	38.8
105.07029	51.1
105.08514	6.5
107.08597	34.2
109.10148	36.6
115.05501	7.6
116.76007	7.3
117.07004	53.2
119.08604	42.8
121.06540	10.0
121.10153	27.3
125.09654	12.1
128.06219	16.8
129.05519	10.9
129.07013	54.3
131.08565	50.2
133.10115	27.7
135.08026	14.3
135.11736	10.3
136.33282	6.5
141.07010	18.4
141.12766	17.3
142.07767	10.5
143.08553	45.2
145.10149	45.1
147.08093	12.3
147.11667	12.9
148.31320	6.9
149.09608	11.8
155.08533	17.0
157.10123	27.1
159.11681	24.8
161.09631	16.5
167.08585	10.4
169.10170	35.9
171.11745	13.3
173.09550	8.3
173.11748	65.7
173.13182	11.2
175.01811	7.0
176.93935	7.3
177.09073	7.7
177.12704	10.1
181.10057	8.7
183.11685	12.9
185.09680	15.6
185.13301	25.2
187.11253	14.6
187.13290	30.0
195.11737	9.6
199.11295	8.2
199.14818	25.6
203.12738	11.8
203.14531	7.4
209.13287	15.2
213.12820	8.1
239.17934	14.2
241.17763	7.4
255.21162	7.5
265.19592	23.3
275.20035	17.3
283.20483	35.8
301.21573	30.5
369.16019	7.6
374.19882	12.5
374.26505	23.5
374.31931	11.3
375.25320	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	374.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	57.2
57.03444	29.4
59.84984	13.3
64.28413	15.6
67.05528	98.6
69.07065	62.6
70.44551	16.0
71.04991	81.4
75.04475	15.7
79.05495	63.2
81.07066	100.0
83.08620	22.0
91.05492	54.8
93.07044	46.7
95.04958	27.2
95.08611	66.5
97.06502	19.1
97.10193	24.2
98.23432	31.5
98.68783	14.6
105.07039	59.5
107.08603	68.3
109.10152	54.8
109.54199	16.6
110.10546	16.5
117.07009	40.1
119.08584	37.0
121.10152	30.9
125.09715	21.6
129.06993	18.2
131.08514	26.9
133.10168	25.8
159.11601	18.2
171.11588	22.0
173.11742	64.2
173.13115	20.6
177.12787	19.4
185.13242	20.6
187.13295	29.6
187.75085	14.3
228.78702	18.8
241.17949	22.1
245.63567	15.7
251.83543	15.3
275.20010	25.8
374.25925	47.0
374.32489	26.1
375.21945	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	375.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41319	0.7
56.96302	1.3
56.96566	18.8
69.03419	1.3
70.66472	1.1
71.95260	1.7
81.03429	1.2
84.96037	9.0
85.01387	0.6
85.02903	2.0
86.99352	1.2
90.32632	0.6
91.18503	0.7
94.06573	9.5
97.02888	2.5
98.97588	100.0
99.97923	0.8
101.00876	5.9
109.02893	1.6
110.96821	1.3
110.97576	19.9
112.99129	2.2
113.00878	7.1
115.02432	2.8
116.98629	32.5
117.99049	1.0
119.01923	7.8
124.99131	2.2
126.97046	1.6
127.02449	2.0
127.03914	1.0
128.98610	14.4
131.00223	0.9
131.01912	12.4
133.03470	1.9
134.99696	4.5
135.02313	0.7
139.02397	1.2
140.98628	4.1
143.00200	3.7
143.01895	7.0
144.98116	2.9
145.03471	7.0
145.71968	0.8
146.99637	4.7
147.01404	0.8
149.03026	1.1
152.07054	6.5
152.98605	11.6
155.00096	1.0
155.01907	6.3
156.02652	1.9
157.03503	4.4
158.99658	35.4
159.01353	3.4
160.00114	1.3
161.01216	3.7
161.02957	6.8
163.04553	1.2
167.01944	1.6
168.98024	0.9
169.03496	4.3
170.99667	24.8
171.05002	1.7
173.01469	1.2
173.02965	8.9
174.99025	0.8
175.04544	1.1
177.00716	34.5
179.01991	1.4
181.03514	2.3
183.01503	0.8
183.04965	1.0
185.01376	1.2
185.02963	3.8
186.99112	1.4
187.04520	1.7
189.00740	13.2
189.02477	0.9
191.02032	1.2
193.01906	0.9
193.03526	1.3
194.99683	2.3
195.01711	2.1
195.11369	3.3
195.12889	0.7
197.01329	1.6
197.02979	3.0
199.04601	2.3
200.02435	0.8
201.00926	3.4
201.02296	3.7
203.04021	6.8
205.03491	1.1
207.01752	1.2
209.02986	4.0
211.04582	2.0
213.00731	9.4
213.02559	1.4
215.02217	1.1
215.04095	1.3
219.01773	38.0
220.02191	1.3
221.05072	15.2
222.05179	1.5
223.04614	1.1
225.02609	1.0
227.04099	1.0
231.01801	2.8
237.00856	1.8
237.02818	42.9
238.03082	1.3
241.05594	2.5
245.05061	1.9
249.00748	2.3
255.01764	2.6
255.03876	2.7
257.05243	5.6
259.06625	8.3
260.06854	1.1
267.01666	1.4
271.06607	5.5
273.02814	0.8
279.03824	1.0
285.04727	6.8
289.07605	1.1
297.02911	1.9
303.05582	1.4
315.03772	24.6
316.03848	1.1
333.04761	40.2
334.05469	2.4
356.06107	0.8
375.07950	3.4
375.17603	2.0
393.07034	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	1.6
68.98264	1.6
69.03420	4.5
77.00912	1.8
81.03419	3.1
82.06615	1.4
82.99818	3.1
85.02923	6.3
86.99345	1.6
94.06553	17.1
94.07018	1.4
96.08127	2.4
97.01355	1.9
97.02885	6.6
98.22612	2.4
98.97572	7.4
101.00879	21.9
105.00352	2.5
109.01435	1.4
109.02892	2.1
110.97572	1.8
113.00863	12.8
114.00976	1.3
115.02422	9.7
116.98628	3.6
119.01928	38.4
127.02433	6.2
129.04030	1.6
131.01915	41.4
133.03484	13.0
137.00854	2.0
137.02977	3.6
139.02383	3.9
143.01892	23.9
145.03459	39.1
146.03595	2.7
147.01408	3.8
147.05058	2.1
149.02982	3.8
152.07059	7.7
153.03954	3.0
155.01880	25.8
156.02780	10.7
157.03481	28.5
158.99707	1.9
159.01393	6.3
161.02969	27.7
162.03014	1.4
163.04546	5.3
165.03984	2.0
167.02013	3.9
169.03465	13.9
170.99609	2.0
171.05023	9.8
172.05211	1.4
173.02960	42.5
174.03217	2.5
175.04555	6.0
177.00734	2.5
177.02399	2.5
181.03474	9.9
183.05046	8.1
185.02957	11.9
187.04510	9.0
189.00743	2.9
191.03928	1.7
193.03450	5.5
195.05017	3.3
195.11278	5.5
196.09837	1.4
197.02969	6.1
199.04501	12.9
201.02499	6.4
201.06119	3.8
203.03996	28.9
204.04276	1.9
205.03458	4.6
209.02957	4.7
211.04507	11.9
213.02463	4.5
213.06084	4.0
215.03999	4.2
219.01674	4.0
221.05058	100.0
222.05272	7.1
223.04506	8.7
225.02525	3.5
229.05585	2.6
231.03630	2.3
237.02687	8.0
239.04037	1.4
241.05539	20.1
242.05789	1.7
243.03554	1.5
245.05080	5.2
255.03589	3.3
257.05057	7.4
259.06644	86.1
260.06885	8.3
271.06625	46.6
272.06827	3.2
282.08261	2.8
285.04596	12.6
287.26349	1.4
289.07678	10.5
293.66492	1.5
297.04651	1.7
303.05658	6.6
315.06015	7.1
328.98459	1.4
333.06760	48.9
334.06998	3.5
334.69986	1.6
375.07520	13.9
375.17679	10.9
376.07925	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	2.7
58.99876	1.7
61.02918	1.5
68.98301	3.0
69.03427	3.5
70.99867	2.6
81.03423	4.5
82.99856	2.6
84.96043	1.8
85.02901	4.3
86.99313	2.1
92.64368	1.2
94.06561	7.8
94.99840	2.1
97.01405	1.7
97.02903	7.2
98.11630	1.4
98.97588	11.3
101.00883	24.4
102.00927	1.2
105.00372	2.1
109.01437	1.2
109.02858	3.2
110.97581	3.8
113.00864	17.2
115.02442	12.5
116.98625	4.6
119.01930	38.5
119.02780	2.0
120.01931	1.5
127.02406	9.7
127.03918	1.9
129.03957	2.4
131.01912	39.8
133.03491	11.8
136.51129	1.2
137.02969	2.7
138.01648	3.2
139.02399	5.9
143.01907	26.0
144.01996	2.7
145.03482	38.9
146.03607	3.1
147.01338	1.9
149.02992	2.4
151.02368	1.8
152.07066	8.5
153.03986	3.0
155.01898	32.3
156.02759	10.6
157.03502	29.5
158.99664	5.4
159.01411	7.9
159.05032	2.5
161.01648	2.3
161.02963	30.7
163.04570	3.5
165.04022	1.6
167.01912	5.1
169.03471	18.8
170.99669	4.3
171.05034	13.6
173.02965	38.7
174.03215	2.6
174.11800	1.4
175.04524	6.5
177.00758	5.2
177.02449	3.8
181.03468	10.7
183.05037	6.9
185.02953	12.2
187.04533	10.7
189.00690	2.7
193.03482	5.9
195.01433	1.3
195.05153	2.0
195.11246	3.2
197.02968	6.4
199.04544	13.6
201.02466	4.2
201.06099	3.3
203.04013	30.7
204.04137	1.8
205.03519	5.3
205.51199	1.4
209.02975	4.3
211.04503	10.2
213.02435	4.1
213.06152	2.9
213.12357	2.0
215.04076	2.5
216.06297	1.4
219.01697	7.5
221.05070	100.0
222.05222	7.3
223.04523	8.5
225.02542	2.2
227.03963	2.0
229.05577	2.1
231.03566	1.7
237.02646	12.7
239.03973	2.2
239.06194	3.2
241.05608	18.6
242.05591	2.4
243.03433	1.5
244.06737	1.8
245.05113	3.9
253.05563	2.9
255.03638	2.7
257.05167	8.9
259.06641	79.5
260.06781	9.0
271.06622	40.2
272.06851	3.4
285.04626	15.3
286.04984	2.2
289.07581	9.1
290.07559	1.6
303.05429	3.7
315.05533	5.7
333.06772	50.9
334.06894	4.6
357.20648	1.3
375.07275	9.4
375.14011	1.7
375.17783	6.8
376.08130	2.1
390.96725	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39253	2.9
55.05516	10.1
56.96558	20.7
57.03449	3.8
59.94120	3.0
61.02920	7.1
68.05009	4.7
69.03419	17.9
69.53555	12.0
70.06596	4.9
71.04972	5.0
72.08138	19.1
77.14745	3.4
79.05509	8.9
81.03431	11.3
83.04967	3.5
84.08142	11.1
85.02915	25.8
87.04459	3.7
93.05811	6.9
94.06571	13.6
96.04510	10.7
96.08120	5.7
97.02913	14.6
98.23388	3.3
98.97593	19.4
100.07633	12.9
102.00050	3.2
105.07063	4.2
106.06556	4.4
107.04993	6.2
108.08086	5.3
109.02879	10.0
110.06068	6.5
110.09705	7.9
116.98604	6.2
120.04475	7.9
122.06063	4.0
122.09711	5.2
123.04424	3.4
127.03909	61.3
127.04778	4.4
136.07585	7.7
144.06566	5.2
145.04944	4.0
150.09132	29.4
152.07065	21.9
154.08630	6.2
163.06201	3.3
164.07085	5.1
168.10204	39.1
169.05397	10.5
182.08168	4.8
185.09659	3.8
187.02776	3.8
187.06436	19.1
195.03304	7.9
196.09691	76.0
196.11414	5.2
197.12363	2.9
198.11261	50.4
205.03796	6.7
205.07533	3.8
213.04341	61.2
213.11052	17.7
214.10744	59.8
231.05376	91.8
232.05647	4.0
249.06548	7.8
254.07162	3.9
255.05403	65.4
273.06415	30.9
315.07727	4.9
324.61935	3.6
330.15515	4.8
331.13547	7.3
357.15100	4.6
375.10556	99.3
375.16293	100.0
376.11203	7.6
376.16122	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	29.9
56.96562	100.0
65.80738	20.4
67.05499	78.4
69.07085	35.6
70.43887	61.7
71.08639	25.3
79.05496	38.7
81.07065	72.3
85.06548	38.9
85.10133	21.0
91.05489	68.5
93.07047	77.8
95.04973	39.7
95.08620	47.6
100.22141	22.0
105.07047	51.3
107.08608	68.9
108.47223	22.2
109.10167	47.1
111.04474	22.3
117.07044	55.5
119.08603	53.8
121.10165	37.8
129.06967	28.2
131.08565	41.5
135.11705	24.4
141.83089	21.6
143.08615	43.5
145.10132	39.8
146.34305	22.4
155.08611	20.7
157.10115	46.2
169.10121	34.8
173.13237	27.6
185.13162	21.3
209.13264	29.6
234.56612	23.7
270.91779	22.2
275.09625	20.9
283.20587	34.3
287.33374	21.3
291.09195	24.7
293.10474	22.9
309.10330	26.4
334.23056	22.3
375.18695	32.2
375.25909	47.3
376.25815	26.3
393.19830	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	375.2375
Annotation	Manglieside C
Peak:m/z	Relative Intensity
53.03939	5.1
55.01863	6.8
55.05512	23.3
57.03433	13.9
57.07066	5.0
59.04999	5.8
61.02927	16.2
67.05501	12.1
69.03428	46.4
69.07067	52.9
69.25525	12.8
71.04992	12.5
71.08607	2.0
73.02908	6.5
79.05501	7.1
81.03404	14.1
81.07052	36.1
83.04979	10.8
83.08633	11.9
84.04536	2.5
84.06004	1.8
85.02904	99.2
85.06540	30.3
87.04476	7.7
89.53641	1.7
91.03947	3.7
91.05479	5.1
93.07050	19.3
95.04993	2.5
95.08610	48.1
97.02888	36.0
97.06528	12.7
97.10172	12.0
98.22598	3.5
99.04460	7.3
99.08083	31.1
105.07062	1.9
107.04964	2.6
107.08588	30.5
109.02877	13.8
109.06525	2.1
109.10146	18.5
111.08081	5.3
111.11712	7.8
113.09660	8.2
116.57550	1.8
117.05511	2.7
119.08627	3.8
121.10144	45.1
123.11711	6.6
125.09644	8.8
127.03902	19.4
133.10091	2.7
135.11679	19.7
137.13251	25.5
137.22165	1.5
139.11189	12.6
145.04947	14.3
149.13283	5.8
151.14828	7.1
153.12723	10.7
158.50075	1.7
175.11086	1.9
177.16386	100.0
178.16718	6.9
181.37120	1.9
195.17435	44.0
196.17799	3.6
205.06535	2.7
213.18503	40.8
214.18898	4.1
228.68523	1.8
239.09851	1.8
245.12843	1.8
370.24216	1.9
375.12079	7.7
375.16101	8.3
376.12668	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	375.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79111	1.1
53.03935	3.3
54.65384	1.0
55.01876	8.6
55.05511	12.3
57.03437	18.7
57.07065	5.1
61.34866	1.0
64.02068	1.0
65.03917	1.8
67.05505	34.5
69.04012	2.3
69.04426	7.5
69.07079	7.4
70.06599	1.2
71.04984	3.2
71.08633	100.0
72.08941	1.9
73.02913	2.1
79.05495	34.9
81.03419	6.3
81.06586	1.6
81.07057	23.8
83.04974	10.1
83.08628	3.4
85.06554	4.3
91.05482	53.4
92.05843	2.2
93.07045	25.3
95.04971	8.0
95.08602	14.3
97.06530	11.5
99.08093	68.9
100.08443	1.5
103.05452	5.0
105.03386	1.5
105.07027	22.6
106.07339	1.3
107.04968	5.2
107.08582	9.1
109.06518	4.1
109.10162	4.8
111.08142	1.9
115.05457	7.1
117.07021	36.6
119.08585	24.9
119.29846	1.0
120.08897	1.2
121.06509	7.4
121.10157	4.3
123.08065	7.5
127.11185	2.8
128.06221	7.9
129.05556	6.7
129.07010	18.2
131.08563	14.5
133.10130	6.6
135.08057	5.6
135.11664	1.5
137.09663	4.1
139.11150	1.4
141.07002	9.6
141.12691	1.5
142.07761	1.8
143.08565	16.8
144.08945	1.3
145.06516	2.7
145.10130	10.0
147.04364	1.5
147.08043	5.1
147.11694	1.6
149.09595	2.5
151.11191	31.9
152.11479	1.2
153.12730	7.5
154.07832	1.5
155.08559	3.3
157.10123	8.8
159.07977	1.4
159.11699	5.1
161.09627	9.6
161.13184	2.3
165.07079	2.0
165.12781	3.0
167.08618	2.9
167.10703	1.1
169.10126	15.0
171.11731	4.2
173.09602	1.3
173.11841	1.6
173.13228	2.5
175.11121	3.5
175.14812	1.4
177.12767	2.1
179.14304	2.2
181.10103	3.8
183.11734	3.4
185.09639	1.4
185.13281	12.2
187.11198	12.3
191.14307	4.2
195.11800	2.6
199.11128	1.6
199.14790	2.8
201.12779	2.4
201.16266	1.2
203.14302	8.2
205.15796	1.4
209.13095	2.0
211.14662	1.5
217.15880	15.6
221.13098	1.5
235.16898	1.9
239.17961	1.2
256.59763	1.1
283.20547	3.4
301.21640	2.6
329.18369	1.3
375.16660	1.3
375.26126	13.0
375.36545	3.4
376.26001	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	375.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	1.3
53.03938	3.2
55.01878	8.3
55.05513	10.7
57.03158	1.2
57.03434	14.9
57.07071	3.3
57.51769	1.0
65.03928	3.2
67.05502	29.9
69.03458	0.9
69.05068	7.0
69.05467	2.4
69.07069	6.0
71.04985	3.7
71.08632	100.0
72.08967	2.3
73.02914	1.7
77.03930	1.2
79.05492	36.3
81.03418	5.6
81.07060	19.2
83.04987	10.4
83.08608	2.6
85.06532	2.5
91.05479	49.8
92.05797	1.0
93.07040	22.7
94.04198	1.0
94.07387	1.1
95.04968	9.2
95.08614	12.7
97.06533	11.2
99.08094	71.2
103.05441	4.9
105.03356	1.4
105.04520	1.2
105.07025	22.4
107.04960	3.7
107.08582	6.0
109.06512	2.2
109.10126	4.6
111.08096	1.4
111.62244	1.0
115.05441	5.3
116.06253	1.3
117.07011	35.2
118.07352	1.1
119.04921	1.0
119.07784	1.9
119.08582	25.8
120.08850	1.0
121.05109	0.9
121.06523	7.5
121.10138	4.4
123.08073	6.8
127.11172	4.2
128.06198	7.1
129.05528	7.1
129.06998	15.3
131.08560	12.1
133.06479	2.4
133.10129	5.6
135.08049	4.0
135.11717	2.2
137.09607	2.8
141.06995	9.7
141.12726	2.0
142.07845	1.4
143.08554	16.6
145.06371	1.9
145.10143	9.9
147.08060	4.6
149.09648	1.2
151.11188	33.9
152.11507	1.3
153.07079	1.1
153.12787	6.5
154.07806	2.0
155.08556	2.7
157.10147	8.6
159.08102	1.3
159.11742	5.5
161.09602	7.8
161.13315	1.1
165.12738	1.5
167.08545	2.2
167.10619	1.3
169.10130	13.0
170.10619	1.0
171.10194	1.0
171.11742	1.7
173.11795	2.0
173.13202	1.0
175.11192	1.5
177.12724	2.2
179.14296	2.1
181.10046	1.6
183.11685	3.1
185.13222	10.3
187.11191	11.1
189.12704	1.7
191.14288	2.0
195.11734	2.4
199.11148	1.4
199.14827	3.6
201.12683	1.9
203.14343	7.8
217.15883	13.3
235.16920	3.4
260.63638	1.0
283.20615	4.2
301.21463	1.0
331.08185	1.0
375.25342	11.9
375.36743	1.5
376.25653	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.7
53.03947	8.1
55.01867	3.8
55.05512	16.3
57.07072	3.5
57.87976	1.7
65.03948	4.8
67.05502	26.8
67.05845	2.7
68.05839	1.9
69.03420	3.1
69.07066	15.3
71.04997	2.6
72.19251	1.4
73.12111	1.5
79.05489	37.8
80.05856	1.8
81.07053	48.9
83.04990	3.8
83.08621	2.0
91.05478	58.6
91.14939	1.5
92.05815	2.2
93.07042	75.6
95.04967	36.5
95.08599	39.1
96.89893	1.4
97.06537	7.9
98.22527	2.6
103.05465	5.2
105.04492	4.5
105.07028	100.0
106.07329	2.8
107.04931	1.7
107.08585	40.7
107.09279	2.4
109.06509	10.3
109.10153	18.9
115.05476	5.2
116.06246	3.0
117.07021	18.4
119.08578	76.6
121.06516	14.9
121.10138	59.9
123.08069	5.9
123.11707	6.0
128.06189	10.3
129.07002	17.6
130.07829	9.6
131.08568	45.3
131.09508	3.1
133.06499	2.5
133.10130	42.3
135.08038	3.2
135.11670	13.3
141.06946	8.2
142.07779	20.1
143.08560	26.8
144.09306	7.5
145.06499	4.0
145.10117	51.2
146.10497	2.6
147.08025	3.0
147.11664	12.8
153.33232	1.8
154.07813	3.4
155.08528	12.1
156.09323	7.4
157.10129	39.3
158.10844	5.0
159.08052	3.8
159.11690	28.5
161.09615	8.9
161.13303	3.8
165.07036	3.5
167.08607	4.5
168.09390	5.3
168.44640	1.5
169.10118	18.3
170.10915	3.2
171.11671	13.8
173.09607	2.2
173.13268	14.6
175.11214	5.1
175.14885	6.9
179.08578	7.2
180.09447	2.0
181.10043	8.1
182.10898	3.3
183.11700	9.4
184.12347	2.4
185.13268	9.5
187.11185	4.3
187.14801	11.8
192.09431	2.6
193.10175	6.7
194.10849	2.3
195.11653	9.1
196.12399	2.1
197.13277	8.9
199.11041	2.3
199.14828	5.5
201.16437	3.3
205.10123	3.6
206.11021	2.7
207.11688	4.6
209.13205	10.5
210.13972	2.2
211.11087	2.1
211.14845	6.1
213.12746	1.8
220.12434	2.0
221.13268	3.5
223.14909	4.9
225.16386	3.7
235.14845	3.7
237.16449	2.0
239.17882	2.5
241.19595	1.8
253.15846	3.3
253.19606	2.9
263.18033	1.5
265.19592	4.1
266.19998	2.1
267.20935	1.6
277.19275	2.7
281.08298	2.0
309.27002	1.6
357.25571	3.3
370.20093	1.7
375.26788	28.1
375.36536	3.8
376.26859	3.9
390.72058	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	10.1
55.05511	15.2
57.07080	3.3
65.03947	4.4
67.05505	23.5
69.07066	13.2
75.37653	2.1
79.05495	40.1
81.07063	45.2
83.04987	3.2
83.08622	6.5
91.05485	48.2
93.07047	63.6
95.04970	33.6
95.08607	36.4
97.06535	8.6
100.19408	1.9
103.05463	4.9
103.74550	1.9
103.91180	1.9
105.04515	2.8
105.07033	100.0
107.04977	2.0
107.08598	37.7
109.06542	11.8
109.10164	25.1
115.05472	6.6
116.06200	2.0
117.07021	19.7
119.08584	72.8
120.08942	2.3
121.06516	15.6
121.10146	58.3
123.08073	5.0
123.11729	2.6
128.06242	8.2
129.07016	14.7
130.07799	6.7
131.08571	41.8
131.09509	3.2
133.06522	2.2
133.07503	2.5
133.10136	34.1
133.11090	3.7
135.08046	3.5
135.11714	12.4
141.06981	8.7
142.07785	13.5
143.08568	28.1
144.09331	7.7
145.10118	47.8
147.08084	2.8
147.11723	17.3
149.13229	2.4
153.07011	2.3
154.07809	3.3
155.08568	10.8
156.09334	10.9
157.10136	40.1
158.10872	4.6
159.08046	2.5
159.11694	24.9
161.09619	10.4
161.13295	4.2
163.11125	2.0
165.06989	4.0
167.08594	4.0
168.09392	5.3
169.10170	13.6
170.10892	3.0
171.11694	14.1
172.12325	2.6
173.09666	3.2
173.13264	13.4
175.11180	3.1
175.14873	7.6
178.07791	2.2
179.08548	6.1
180.09322	3.5
181.10161	9.0
183.11665	11.8
184.12364	3.3
185.13272	9.8
187.11226	5.3
187.14832	9.3
193.10158	5.1
195.11703	13.3
196.12433	2.8
197.13284	13.4
199.11299	3.2
199.14822	7.7
201.16396	3.5
205.09970	2.2
206.10889	3.5
207.11710	7.7
208.12497	3.1
209.13191	9.6
210.14061	2.6
211.14783	7.4
220.12427	2.6
221.13312	4.2
223.14891	5.5
233.13260	3.0
235.14870	2.5
251.17918	3.2
253.19592	2.7
288.18158	2.1
332.86639	2.1
351.74432	2.1
375.16132	2.6
375.26846	25.1
376.26425	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	376.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.0
55.05505	4.7
57.07076	5.0
67.05498	9.4
69.03428	1.0
69.07063	13.0
70.06574	0.7
70.16656	0.6
71.04983	1.4
71.08630	36.9
72.08960	0.8
79.05482	6.8
80.26051	0.6
81.07055	12.5
83.04967	0.9
83.08608	1.9
84.08132	0.7
85.06549	2.6
86.06063	1.8
86.09701	12.3
88.11266	100.0
89.11589	1.2
91.05474	7.3
93.07041	11.4
95.04968	12.0
95.08040	1.4
95.08606	12.5
97.06542	3.9
97.10165	1.5
99.08074	5.1
101.54305	0.7
105.07027	7.4
107.08591	9.4
109.06504	17.5
109.10170	3.9
111.11710	0.8
114.09180	1.0
117.07030	2.3
119.08569	6.4
119.42654	0.7
121.06514	2.8
121.10124	2.6
123.08037	1.6
129.07013	1.4
131.08562	5.1
133.10127	7.2
135.08061	2.5
135.11687	2.1
137.09605	1.5
138.12737	1.2
141.06953	0.8
143.08542	1.5
145.10124	3.7
147.11656	3.2
149.09694	1.5
149.13275	2.4
151.11220	0.9
151.14774	0.7
156.13869	6.2
157.10083	1.2
159.11661	1.6
162.16951	0.6
163.11136	1.7
163.14812	1.2
165.12752	62.8
166.13091	3.4
169.10068	1.1
170.15442	2.9
171.11740	1.7
172.58797	0.7
173.09535	0.9
173.13214	5.7
175.11176	2.6
177.12723	1.3
179.14182	0.9
183.11705	1.0
184.13332	5.4
184.16985	2.3
187.14839	1.8
189.12877	0.8
189.71962	0.7
191.14342	7.1
193.02562	0.8
196.49101	0.8
201.12682	3.8
205.15915	1.2
222.18507	1.8
224.20097	7.2
226.18051	1.3
229.19531	1.9
253.19360	1.0
254.21228	3.1
262.21564	5.2
271.20593	4.9
278.24768	18.9
279.25165	1.6
289.21591	6.5
291.23135	0.8
320.25653	0.8
358.30997	2.7
371.38388	0.7
376.16241	1.2
376.26675	2.1
376.32086	35.0
376.36569	2.2
377.27512	1.4
377.32483	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	377.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85775	0.4
56.96564	7.3
69.47208	0.5
69.72342	1.4
71.95279	1.0
72.08161	1.0
84.96031	0.7
86.49945	0.4
97.02900	0.4
98.97583	100.0
99.97931	1.1
101.00853	0.4
110.93816	0.4
110.97574	8.3
112.99097	0.5
116.98624	31.1
119.01917	0.7
124.99114	0.6
127.00684	0.7
128.98611	5.1
131.00139	0.5
134.99654	5.5
136.99101	16.5
140.00189	0.6
140.98601	0.8
143.00119	0.8
146.99629	0.9
153.00645	0.4
155.00159	38.3
156.00488	1.0
157.01706	0.8
158.99652	23.6
159.99954	0.7
161.01215	0.8
165.10249	3.8
170.99649	0.8
173.01224	21.7
175.02785	0.5
177.00710	22.7
183.11261	0.7
191.02283	1.4
195.01750	1.5
197.01218	54.1
198.01598	1.4
199.02773	1.8
200.02348	0.5
201.00737	1.2
206.57295	0.4
211.02777	0.5
215.02267	32.4
216.02708	0.8
217.03821	1.0
219.01773	13.4
223.93111	0.4
233.03290	1.4
237.02814	6.6
238.03743	0.9
257.03308	10.3
275.06232	0.6
279.03873	3.4
287.04391	0.7
293.05829	0.5
295.93054	0.5
300.42868	0.4
309.52454	0.5
315.89838	0.4
317.05417	7.4
335.06580	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	377.1453
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03923	2.0
53.82013	0.6
55.01864	1.2
57.03439	9.4
59.04993	0.7
61.02923	4.8
66.22987	0.6
69.03429	16.1
69.44176	3.1
71.01350	3.3
71.04990	4.0
73.02896	2.3
74.78938	0.7
75.04475	2.7
81.03422	3.9
99.04465	5.6
117.05435	1.1
137.05821	0.7
145.07585	3.5
147.09248	0.5
159.09244	0.5
170.07121	1.8
172.08693	36.1
173.09015	1.2
190.09779	1.0
198.06648	9.1
200.08203	5.6
203.88190	0.6
215.14656	0.9
216.07677	19.8
218.09192	0.7
224.11858	0.5
243.08762	80.2
244.07118	1.2
244.09091	4.5
257.10223	0.6
259.21399	0.6
270.79132	0.5
288.13824	0.6
292.87512	0.5
317.11136	0.6
359.13477	3.2
377.14539	100.0
378.14868	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	377.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	7.0
67.85548	4.7
69.03445	4.9
69.07055	13.2
70.61588	13.1
79.05497	15.5
83.04971	4.9
91.05457	6.8
97.06532	95.1
104.13762	4.2
107.04967	6.0
107.08559	5.4
117.03368	7.4
133.02914	4.8
135.04420	14.5
145.02831	7.5
159.04507	5.8
161.02333	21.3
163.03917	60.3
171.04460	4.6
173.02333	27.7
215.07047	39.0
259.09650	100.0
260.10123	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	377.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29330	3.1
57.03448	3.8
67.05489	3.5
69.03434	6.7
70.06596	5.2
71.87408	2.9
76.40298	3.6
80.05020	25.9
81.03416	6.1
81.07078	7.9
85.02905	5.4
90.85637	3.7
91.05476	7.9
95.04967	3.1
99.04439	3.6
105.07023	7.2
107.08598	4.9
109.06535	7.1
109.51406	3.6
117.07037	6.0
118.06880	4.1
119.08617	4.4
120.08074	2.9
121.01977	3.0
121.10136	4.1
123.11665	2.9
137.06042	3.7
145.10153	3.6
152.10706	10.4
159.08052	4.0
159.11658	6.2
169.06363	3.1
180.10199	100.0
181.10640	4.7
187.07567	4.8
191.56880	3.6
215.07089	8.1
243.08795	3.8
263.37186	4.0
273.15051	3.6
377.06516	5.8
377.12683	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	377.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.1
53.83987	2.0
55.01879	7.7
55.05514	19.5
56.18419	2.4
57.03435	11.2
57.07080	16.7
61.96903	2.1
65.03951	2.3
67.05508	45.4
69.07074	18.2
69.47971	10.5
71.05001	7.3
71.08640	5.4
75.04457	3.6
79.05497	37.0
81.07056	42.1
83.04990	5.4
83.08604	4.7
85.06557	7.6
85.10177	2.6
87.04481	4.8
91.05485	67.3
93.07051	31.5
95.04981	12.1
95.08611	30.3
97.06541	6.7
98.22729	4.6
98.97628	2.3
99.04508	3.4
103.05492	3.9
105.03420	2.3
105.07033	46.2
106.46424	2.4
107.08579	13.8
109.06542	3.7
109.10181	10.4
111.08087	2.8
115.05478	5.8
117.07022	58.9
119.08574	39.0
121.10146	15.3
123.11749	4.5
128.06236	6.6
129.05504	13.6
129.07004	34.7
130.07803	2.6
131.08572	65.0
133.10127	21.0
135.08086	7.6
135.11729	5.3
137.13290	6.2
141.06978	36.7
142.07808	4.4
143.08563	28.0
145.10114	58.1
147.08022	3.2
147.11748	10.7
149.06023	2.6
149.09637	11.5
149.13300	4.7
155.08556	17.5
157.10136	24.2
158.10658	2.7
159.08055	6.5
159.11697	31.3
161.09662	10.5
161.13335	8.9
163.14873	4.0
168.09436	2.7
169.10117	41.5
170.10556	3.8
171.11693	19.6
173.09656	6.1
173.13298	19.2
175.11243	5.3
175.14926	7.4
177.80559	2.5
182.10880	2.7
183.11679	26.1
185.13341	10.3
187.11197	13.7
187.14799	13.6
189.12782	3.5
189.16470	4.8
197.13216	15.9
199.14870	6.4
201.12733	19.0
201.16402	18.3
205.16013	2.8
211.14816	11.0
213.16449	4.5
215.14409	6.7
215.18048	4.8
225.16402	4.0
239.18007	3.2
241.19650	10.3
243.21083	33.7
244.21521	4.6
256.26495	3.1
257.19092	9.5
257.22662	15.1
267.21094	43.3
268.21384	3.2
285.22125	100.0
286.22504	5.8
303.23178	6.3
377.27005	89.4
378.27399	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	377.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	3.0
55.01870	2.7
55.05517	15.4
57.03434	10.3
57.07074	8.7
62.67658	2.0
65.03932	2.5
67.05509	44.2
69.07075	13.8
71.05003	4.0
71.08648	3.6
79.05493	37.4
81.07055	40.7
83.05011	4.4
83.08611	4.5
85.06534	5.7
85.10183	3.2
91.05482	65.3
91.76714	2.1
93.07047	33.0
95.04963	4.6
95.08600	26.7
97.06548	3.3
97.10172	2.5
101.05994	3.3
103.03876	1.8
103.05449	5.6
105.07037	52.4
107.08585	15.3
109.06541	5.6
109.10161	5.2
114.99843	2.2
115.05460	6.2
117.07018	52.5
119.08577	37.7
121.06528	2.2
121.10149	13.8
123.11726	2.4
128.06245	4.1
129.05476	9.1
129.07011	26.3
130.07820	3.0
131.08569	79.4
133.10135	19.8
135.08057	5.3
135.11682	5.1
141.06999	17.3
142.07736	4.2
143.08557	15.6
145.06483	4.9
145.10138	51.9
147.08058	2.5
147.11702	9.6
149.09647	11.2
149.13222	4.7
153.06892	2.3
154.07735	4.9
155.08528	14.9
157.10110	18.9
159.08054	6.0
159.11700	33.1
160.79568	2.3
161.09621	5.2
161.13281	9.3
163.11180	2.6
169.10144	24.4
171.11707	14.6
173.09631	6.5
173.13249	22.1
175.11201	2.1
175.14787	10.1
181.10391	2.2
183.11688	22.3
185.13301	6.3
187.11195	15.3
187.14812	14.6
189.16415	5.0
191.10542	2.1
197.13309	14.3
199.14789	4.1
201.12759	20.6
201.14301	2.2
201.14642	3.2
201.16359	24.3
203.17982	4.0
211.14851	6.8
213.16420	3.1
215.14368	7.0
215.17949	4.2
217.16058	4.0
219.13739	2.2
225.16330	4.5
239.17941	2.8
241.19553	5.3
243.21118	34.3
244.21666	2.3
247.23514	2.2
257.18973	4.0
257.22748	15.8
267.21057	36.1
268.21494	4.3
285.22128	83.6
286.22488	8.9
303.23181	17.1
314.33478	2.5
359.26056	4.8
371.31516	2.0
377.17551	6.9
377.26886	100.0
377.37253	9.1
378.27100	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	377.2686
Annotation	2-eicosapentaenoyl-glycerol
Peak:m/z	Relative Intensity
53.03946	4.7
55.01870	18.2
55.05507	15.9
57.03431	17.4
57.07071	10.9
58.21690	1.5
65.03928	2.1
66.58191	1.5
67.05507	47.7
69.07067	27.7
71.04990	10.8
71.08634	4.0
73.02925	4.9
75.04476	1.7
79.05487	31.9
81.07056	44.2
83.04992	4.9
83.08613	4.4
85.06557	5.9
87.04465	6.0
87.08109	26.3
91.05476	71.8
93.07037	34.8
95.04964	6.1
95.08607	30.4
96.21272	2.0
97.06524	7.4
97.10129	1.9
99.04456	3.0
103.05482	3.6
105.07025	52.5
105.09155	3.7
107.08597	14.5
109.06548	3.0
109.10163	8.6
115.05463	3.3
117.07014	54.1
119.08578	34.9
121.06525	3.0
121.10118	16.0
123.11710	6.6
128.06247	5.6
129.05487	28.2
129.06981	33.0
130.07832	1.8
131.08566	68.5
132.08908	3.3
132.10339	1.8
133.08630	10.1
133.10110	22.8
135.08005	4.1
135.11699	7.5
137.09685	2.0
137.13228	5.8
138.70294	1.6
141.06985	27.8
142.07800	2.0
143.08569	23.8
145.10117	53.0
146.10454	2.1
147.08038	5.9
147.11694	8.6
149.09613	10.4
149.13286	4.4
154.07831	3.4
155.08517	15.7
157.10118	20.6
159.08057	5.2
159.11694	25.9
161.09630	9.5
161.13252	8.1
163.11208	1.9
163.14806	3.7
165.09212	2.0
167.08586	1.9
169.10130	42.1
171.11714	16.2
173.09619	6.1
173.13281	20.6
173.15350	3.1
175.11182	1.6
175.14847	9.9
175.81941	1.7
181.10216	2.7
182.10921	1.6
183.11723	30.5
183.13284	1.5
185.13220	11.0
187.11211	14.6
187.14812	12.9
189.12756	1.9
189.16467	6.2
191.10683	2.3
197.13307	16.1
199.14777	9.1
201.12807	17.7
201.14561	3.3
201.16438	21.5
203.14372	2.5
203.17946	2.3
205.12277	2.0
211.14833	10.0
213.16399	3.9
215.14352	6.5
215.17953	4.0
217.15912	5.2
225.16411	6.3
229.16057	2.2
239.17961	3.7
241.19495	12.2
243.21065	42.3
244.21458	3.6
257.19009	8.1
257.22565	14.1
267.21039	58.0
267.23798	3.4
280.03870	1.7
283.61456	1.8
285.18872	3.0
285.22122	95.0
286.22458	6.9
303.23132	13.4
359.25833	8.1
377.26865	100.0
378.27179	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	377.2685
Annotation	2-eicosapentaenoyl-glycerol
Peak:m/z	Relative Intensity
53.03941	2.7
55.01870	2.0
55.05512	15.6
56.93937	1.9
57.03428	7.3
57.07073	13.2
58.58775	1.7
60.30278	1.9
60.83832	1.7
65.03943	2.2
67.05508	45.8
69.07072	15.7
71.04969	3.7
71.08643	3.4
73.02920	2.6
79.05495	37.1
81.07060	39.2
83.04987	4.6
83.08598	6.1
85.06533	5.2
85.10151	2.0
91.05483	74.0
93.07042	33.5
95.04985	5.6
95.08601	24.9
97.06544	2.9
98.22540	4.5
103.05463	3.4
105.06307	2.5
105.07027	51.9
107.04973	2.7
107.08600	14.4
109.06434	2.0
109.10157	7.3
115.05468	7.8
116.06232	3.5
117.07018	67.8
119.08591	37.8
121.10151	10.8
123.11720	4.0
128.06241	4.7
129.06999	36.4
130.07759	4.4
131.08572	97.9
132.08878	4.3
133.06583	2.3
133.10138	23.1
135.08084	5.9
135.11713	5.4
141.06992	26.0
142.07732	3.5
143.08551	19.1
145.06485	6.7
145.10127	60.5
146.10565	2.1
147.08070	3.8
147.11676	7.3
149.09610	9.4
149.13243	3.2
154.07784	2.2
155.08531	26.0
156.09251	2.5
157.10129	28.0
159.08060	5.5
159.11708	25.7
161.09627	4.7
161.13284	5.9
163.11137	2.4
167.08638	2.5
168.09384	2.9
169.10130	22.7
171.11707	16.6
173.09622	4.9
173.13251	22.9
175.11214	2.0
175.14865	8.3
183.11684	26.8
184.12129	2.1
185.13243	10.3
187.11205	17.8
187.14789	20.2
189.16408	5.9
197.13242	15.6
199.14838	5.7
201.12764	24.0
201.16382	30.3
202.13126	3.4
203.14275	2.6
203.17918	4.2
211.14777	13.3
213.16426	4.0
215.14334	8.8
217.15822	2.9
225.16455	3.9
229.15907	3.1
239.17879	3.2
241.19572	8.8
243.21083	27.6
257.19000	5.6
257.22665	20.0
258.22989	2.4
267.21051	35.8
268.21460	2.1
268.94214	2.1
285.22122	99.1
286.22501	7.1
303.23166	3.1
359.25726	2.6
377.26871	100.0
378.27228	9.1
385.47787	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	377.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.6
55.01875	12.1
55.05523	13.5
57.03438	19.0
57.07082	6.1
62.72138	2.2
65.03932	4.6
65.88578	2.2
67.05177	4.2
67.05509	50.8
69.07073	17.8
71.08634	100.0
79.05492	52.3
81.03425	3.1
81.07059	38.7
82.07381	2.7
83.04977	11.1
83.08609	3.5
83.67706	2.3
85.06544	6.7
86.09700	2.5
88.11260	14.7
91.05488	40.4
93.07045	41.7
94.07397	2.7
95.04984	17.1
95.08609	26.5
97.06538	20.8
98.23381	4.2
99.07479	5.0
99.08096	74.6
103.05462	3.3
105.04573	3.4
105.07035	52.7
107.04952	2.9
107.08589	16.4
109.06532	8.2
109.10130	12.8
117.07005	22.1
119.08585	31.2
121.06465	2.6
121.10140	20.8
123.08060	6.4
127.11214	5.8
128.06232	4.2
129.05524	7.0
129.06989	10.5
131.08565	32.1
133.10155	12.0
135.08153	2.8
135.11699	7.9
137.09621	4.9
141.07027	5.0
143.08614	12.0
145.10143	29.9
146.10529	2.9
147.08067	3.9
147.11681	8.7
149.13202	3.1
151.11177	10.3
153.12804	3.5
155.08516	4.7
157.10112	5.3
159.11717	11.6
161.09627	3.5
161.13310	7.3
163.11188	9.1
163.14876	2.8
165.12773	10.9
166.13098	8.0
166.18684	2.4
167.10617	2.5
169.10156	9.4
171.11703	57.9
173.13274	7.2
175.14804	2.8
177.12769	3.9
183.11717	6.4
185.01952	2.4
185.13268	8.2
187.14844	20.7
189.12703	13.6
189.16321	5.5
197.13298	4.5
201.16412	8.9
205.15877	20.3
211.14861	3.5
215.14369	3.7
217.15952	3.7
219.17386	21.3
225.20346	2.3
243.21120	3.6
257.22681	3.3
267.21078	10.0
279.25217	3.0
281.45361	2.9
285.22107	6.8
303.23148	4.6
305.90262	2.6
321.98965	2.7
349.27344	2.4
377.26749	20.4
377.32394	6.8
378.27429	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.7
55.01871	59.0
55.05505	16.6
57.03421	4.7
57.07068	10.9
58.06600	2.6
61.93345	2.5
64.67978	3.1
67.05507	54.8
69.03429	3.4
69.07070	29.8
70.06578	11.1
71.04974	3.7
71.08627	4.0
71.28812	3.7
73.46844	2.2
73.91599	2.6
79.05485	29.4
79.89908	2.6
81.03408	8.9
81.07063	43.3
83.04970	9.6
83.08608	7.7
85.06544	39.6
88.07636	12.8
91.05473	44.0
92.05819	4.6
93.07047	29.6
95.04975	14.4
95.08601	29.8
97.06526	100.0
97.10162	4.9
99.08089	4.8
102.09181	10.4
105.03403	39.9
105.07018	48.9
107.04939	14.2
107.08598	16.6
109.06513	6.7
109.10152	11.0
117.06986	14.1
119.08576	36.6
121.10141	15.1
123.08053	5.3
125.09589	5.1
129.07010	3.9
131.08565	23.9
132.20399	3.2
133.10117	26.9
135.08022	5.8
135.11684	7.6
137.09586	3.9
139.07532	4.8
139.11156	4.1
143.08524	5.8
145.10130	18.4
147.11691	10.3
149.05972	51.4
149.09618	12.2
149.13272	3.2
151.11156	3.1
157.10152	7.0
159.11710	12.1
161.13245	6.0
163.11200	8.8
165.09158	4.0
167.08234	2.5
169.10136	6.8
171.11726	4.7
173.13301	8.0
177.12788	6.4
179.14255	13.4
185.13309	3.1
187.11208	3.9
197.13242	3.9
199.73029	2.9
219.17485	3.6
247.20480	6.2
256.26370	39.5
257.18967	5.4
275.20020	65.4
276.20389	6.2
377.26462	10.9
378.30005	45.9
404.55713	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	377.326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82241	0.9
55.05500	3.0
57.07074	96.9
58.07408	1.4
67.05490	2.5
69.07071	6.9
69.43578	3.1
71.08630	80.6
73.06551	1.9
79.05474	1.0
81.07044	2.3
83.08600	2.3
85.10176	47.2
86.10499	1.4
87.04469	1.1
89.06027	100.0
90.06342	1.1
91.05485	1.0
91.07600	0.8
93.07031	1.1
93.77086	0.7
95.04945	1.2
95.08608	1.5
95.20091	0.7
97.10184	2.1
99.11719	4.5
105.00066	1.1
105.07012	1.7
107.07059	8.2
107.08596	1.0
111.11693	2.2
113.13289	5.0
119.01632	1.5
121.10076	1.5
123.11749	0.9
125.13236	1.0
127.14829	2.7
130.08638	2.9
133.08600	41.1
134.08916	1.4
144.05817	0.9
147.11650	1.0
151.09641	7.2
157.10109	1.4
177.11194	8.3
195.12277	36.8
196.12596	1.8
377.18042	0.9
377.25778	1.2
377.32492	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	378.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	6.3
57.07072	3.6
67.05482	1.4
69.03425	1.7
69.07056	1.7
69.64621	2.0
69.65028	5.3
79.05477	1.7
81.07043	3.6
82.24057	1.3
83.04973	4.6
85.02913	2.9
85.06537	3.0
90.65291	1.3
91.05440	1.9
93.07034	4.8
95.08620	6.9
97.02886	2.1
97.06531	6.2
105.07018	3.0
107.08582	8.0
109.06534	3.1
111.04440	54.3
111.05212	2.8
111.08088	2.2
112.04731	1.4
117.07027	1.1
121.06498	1.1
123.08056	1.1
125.05983	14.6
125.69017	1.2
127.07549	1.9
135.08040	8.3
135.11670	11.9
137.13316	1.3
139.07533	1.5
145.10086	9.5
149.19681	1.1
153.12733	3.7
163.11177	15.3
181.12227	100.0
182.12639	6.4
199.13286	40.9
199.15132	1.8
200.13657	1.9
216.07234	1.6
228.17586	1.2
260.09985	2.9
341.86786	1.4
359.83612	1.3
378.13855	1.4
378.18457	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41733	1.0
55.01861	2.0
55.05509	3.5
55.40609	1.1
57.03431	3.2
57.07070	4.0
65.03940	1.1
67.05501	8.7
69.07070	54.6
69.56964	5.7
70.07394	1.7
71.04988	1.6
73.06542	3.9
79.05489	5.3
80.05821	2.1
81.07056	8.1
82.07372	1.4
85.06529	2.0
87.08108	100.0
88.07617	1.2
88.08427	2.0
91.05487	10.3
92.05811	4.2
93.07063	7.5
94.07378	1.3
95.04953	1.6
95.08600	4.6
96.08942	1.5
97.06506	3.2
98.22712	1.6
104.27775	1.3
105.03391	4.3
105.07031	7.6
105.09139	11.6
106.07361	3.7
107.08595	4.3
109.10168	2.1
115.07558	4.9
116.92373	1.0
117.07001	4.8
118.07346	2.7
119.08588	5.4
120.08895	2.8
121.10136	4.8
122.10571	1.2
123.11695	1.2
125.09690	1.3
128.10715	1.8
129.05460	3.8
129.06975	2.0
130.05923	1.2
130.07382	1.3
131.08536	7.4
132.08899	4.2
133.08606	42.2
133.10187	3.3
133.90662	1.0
134.10493	1.3
135.11702	1.2
142.07307	1.2
143.08611	1.5
144.08879	2.1
145.10135	5.8
146.10478	2.8
147.11667	2.0
149.05995	6.5
150.09979	1.4
151.09677	2.0
155.08539	2.3
156.08865	1.4
157.10107	3.4
158.10437	1.4
159.11714	3.5
169.10123	3.3
170.10463	4.0
171.11589	1.7
173.13191	1.9
173.13948	1.3
173.15352	12.0
174.11331	2.0
174.13614	2.9
175.14801	1.7
183.11748	2.6
184.12059	2.6
186.13498	1.4
188.11485	1.2
188.15285	1.3
190.16721	1.2
198.13524	1.5
201.12999	2.4
201.14847	10.5
202.16748	2.3
219.15883	13.7
229.14293	4.2
243.21082	1.6
244.21417	4.0
256.26346	2.8
258.22845	2.0
268.21265	7.1
285.22076	1.6
286.22415	13.5
287.23599	1.4
304.23392	3.1
315.41898	1.3
378.26709	10.8
379.27774	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24793	1.4
53.94860	1.4
56.96567	75.3
57.43618	1.5
60.95863	2.5
69.03428	5.1
69.36039	7.0
69.36454	2.5
69.67210	1.4
70.06592	4.2
71.01292	1.5
73.02915	1.4
77.23823	1.3
81.03419	4.4
83.04989	4.1
84.24658	1.4
84.96046	7.4
85.02908	5.3
87.04514	1.5
90.71355	1.5
97.02892	3.9
98.97585	100.0
99.04474	1.8
102.96889	3.1
110.97575	23.3
112.99131	5.3
116.98633	24.6
120.97937	1.6
124.99129	12.8
127.00649	2.4
127.03899	2.2
128.98616	14.1
131.00143	5.4
134.24094	1.3
134.99615	3.4
139.00648	20.5
140.51746	1.4
140.98576	2.7
143.00163	15.0
143.01862	1.6
144.98094	1.5
145.01767	2.2
146.99649	4.5
147.04442	1.6
152.98572	1.7
155.00111	4.2
157.01729	62.8
158.99641	19.7
160.03860	5.0
161.01230	4.4
162.99089	1.5
169.04460	7.2
170.99660	6.3
173.01227	1.6
173.02972	1.4
175.02792	59.4
175.04347	3.0
176.03146	2.5
177.00710	16.9
181.01709	2.6
185.01274	3.2
189.00688	5.0
190.18431	1.5
193.03896	12.6
199.02792	75.1
200.03278	2.1
201.00735	6.4
203.02344	2.7
203.04060	1.8
211.04781	2.2
215.02223	2.2
217.03836	38.1
219.01759	44.1
223.84424	1.4
229.03891	3.2
237.02803	46.0
238.85876	1.5
241.02051	2.0
241.06509	19.9
241.56573	3.3
255.03857	1.9
259.04852	14.8
260.05087	1.8
275.04459	5.3
277.05878	3.2
279.03839	4.1
289.05814	1.9
293.05475	14.7
301.06064	2.6
319.06982	90.3
320.07339	5.3
335.06598	7.6
337.04642	1.8
337.08044	52.7
338.08426	3.6
379.09189	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	379.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
63.54294	0.3
69.03435	0.8
69.22144	2.8
79.05515	0.5
81.03400	0.5
81.07045	0.6
85.02884	1.0
85.06535	0.5
85.98126	0.4
88.42767	0.3
91.05480	0.7
93.07049	0.8
95.08645	0.4
97.02918	0.5
98.23372	0.6
100.83249	0.4
102.04744	0.4
109.02883	0.4
121.10177	0.4
131.04967	0.4
135.09149	0.4
161.06056	0.4
172.06064	0.4
183.10139	0.5
185.04247	2.8
209.18472	0.4
217.04732	5.8
223.32329	0.4
315.09656	0.4
344.23050	0.4
361.10193	0.6
379.09979	100.0
380.10278	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	379.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.5
59.05003	1.8
67.05510	3.0
68.40706	1.0
69.07041	1.3
71.29959	1.6
79.05502	1.1
81.07075	2.3
91.05475	2.2
93.07067	1.8
95.08601	2.0
107.08588	1.2
109.10169	1.7
119.08588	1.9
121.10202	1.3
122.70158	1.0
131.08604	1.6
133.10132	2.1
159.08102	0.9
159.92831	1.1
286.69101	1.0
309.16998	1.3
379.24539	100.0
380.24951	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	379.263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	6.5
55.05510	10.1
56.53364	4.4
58.31363	5.8
65.03942	8.4
67.05505	28.6
69.03422	11.0
69.07063	19.3
71.04980	6.8
79.05501	23.8
81.07053	32.3
83.04971	5.3
91.05480	37.2
93.07034	48.3
95.04964	100.0
95.08607	33.5
97.06547	7.8
105.07011	54.5
107.04964	6.9
107.08586	82.6
109.06512	14.1
109.10138	14.3
115.53938	4.5
117.07011	17.5
119.08582	29.5
121.06518	13.0
121.10147	18.8
123.08074	6.5
123.11710	10.2
128.06219	8.1
128.53740	4.6
129.06999	13.0
131.08563	31.4
133.10136	34.9
135.08052	11.7
135.11700	90.4
137.09636	5.1
142.07787	10.2
143.08601	26.8
144.09312	9.1
145.06612	5.1
145.10161	31.3
147.08005	4.9
147.11667	15.7
149.09618	8.0
154.07797	8.6
155.08595	7.8
157.10109	27.4
158.07356	5.2
159.08041	12.9
159.11658	38.4
161.09616	17.9
161.13301	7.1
169.10136	15.4
171.11650	7.7
172.08769	8.9
173.09616	45.9
173.13242	10.8
175.11140	16.8
181.10136	9.3
183.11636	9.5
185.13248	37.5
187.11197	73.5
187.14873	26.4
189.12730	5.8
197.13284	9.7
199.14783	7.7
205.15942	7.0
220.13269	5.6
361.25122	17.2
379.26245	53.8
389.86130	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	379.2843
Annotation	1-Arachidonoylglycerol
Peak:m/z	Relative Intensity
50.89767	1.5
53.03943	4.0
53.12289	1.4
54.48693	1.7
55.01863	5.9
55.05514	23.3
57.03438	12.7
57.07079	14.2
65.03944	3.7
67.05506	73.5
69.07063	25.4
69.78208	6.3
71.04993	3.7
71.08624	4.7
75.04475	2.5
78.39041	1.7
79.05494	60.3
81.07059	68.8
83.04971	4.0
83.08614	13.1
85.06548	13.0
85.10162	4.1
87.04474	2.2
91.05482	78.9
93.07042	72.8
93.07633	3.7
95.04971	5.8
95.08607	57.5
96.08959	1.9
97.06540	5.7
97.10153	4.1
99.08111	4.0
101.05969	1.8
103.03968	1.8
105.04535	1.7
105.07032	57.1
107.04990	2.3
107.08598	42.1
108.08905	2.1
109.06547	3.2
109.10162	22.2
111.08089	4.3
111.11768	2.5
113.09640	3.6
115.05482	2.9
117.07014	21.8
119.08584	66.9
120.08905	2.2
121.06538	2.6
121.10139	53.8
122.10480	2.8
123.08095	2.1
123.11706	7.1
125.09621	3.0
128.06270	3.0
128.54156	1.7
129.05499	7.4
129.07002	18.3
131.08557	35.8
133.06531	2.1
133.10127	52.1
134.10472	2.1
135.08076	7.6
135.11708	16.6
137.09621	2.4
137.13260	5.7
142.07809	1.7
143.08551	22.8
145.10115	27.9
146.10492	2.1
147.08078	3.7
147.11684	31.0
149.09579	8.0
149.13303	8.1
151.14812	3.8
155.08568	1.8
156.09241	2.0
157.10107	19.1
159.11685	11.9
161.09669	7.7
161.13249	23.5
163.11237	3.3
163.14853	4.7
169.10097	2.5
171.11702	29.7
173.13257	11.9
175.11162	10.8
175.14816	18.9
177.12689	1.9
177.16394	8.5
179.10600	2.2
183.11755	2.2
185.13266	25.1
186.04453	1.7
187.14899	6.6
189.12744	12.6
189.16386	22.9
191.14388	3.2
191.17941	8.0
193.12352	2.1
199.14793	13.2
201.16423	6.1
203.14336	9.5
203.17952	47.0
204.18277	2.5
205.15910	3.5
205.19516	3.5
207.13873	2.6
213.16403	5.1
215.18021	2.4
217.15967	5.4
219.17621	2.5
221.15453	3.3
223.11334	1.9
227.17867	2.9
231.17534	1.9
241.19612	4.5
243.21126	7.4
245.22633	29.4
246.22980	2.5
259.20645	8.1
259.24197	21.2
269.22650	56.5
270.23056	3.6
271.24417	2.2
287.23682	100.0
288.23984	7.8
294.96384	1.6
305.24722	15.7
309.20782	1.7
361.27374	10.6
379.28473	69.1
380.28857	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	379.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.8
55.01525	1.6
55.01834	1.6
55.05517	13.8
57.03434	6.7
57.07071	3.9
62.67672	1.4
67.05508	35.1
69.07069	12.4
69.70883	1.7
71.05013	3.0
71.08634	21.5
79.05498	31.7
81.03434	3.6
81.07056	35.1
82.07373	1.8
83.04986	5.4
83.08624	6.6
85.06553	3.3
91.05488	15.6
93.07046	34.7
95.04973	8.1
95.08606	32.7
97.06534	3.8
97.10186	2.6
98.22531	2.1
99.08083	13.3
105.07033	11.9
105.91707	1.8
107.08600	26.5
109.06495	3.6
109.10150	14.6
111.08084	1.9
117.07004	2.0
119.08603	12.5
121.10151	21.9
123.08044	1.5
123.11767	2.3
125.09669	2.5
131.08614	4.4
133.10162	7.7
135.11682	14.3
135.24071	1.6
137.09679	1.8
143.08536	2.8
145.10127	5.2
147.11699	6.0
149.13290	5.7
151.11188	4.1
157.10182	2.4
161.13200	2.3
167.10735	2.3
169.10173	2.2
181.10133	2.6
185.13249	2.2
187.14838	1.9
189.16379	4.6
197.09668	3.3
207.17455	100.0
208.17757	4.1
263.19937	2.2
305.24783	9.1
379.15659	2.1
379.23160	1.7
379.28491	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	380.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56310	2.2
53.03943	2.3
55.01870	6.4
55.05502	3.7
57.03445	2.7
67.05504	13.0
69.03429	12.1
70.41135	5.2
73.02928	2.7
79.05498	6.7
81.03406	5.7
81.07056	7.3
81.62704	2.1
85.02895	13.4
91.05489	30.0
93.07035	17.5
93.57355	2.5
95.04990	3.4
95.08611	25.9
97.02902	5.5
97.06573	2.9
98.23382	2.3
99.04443	2.7
101.02369	6.9
105.07055	3.9
107.08570	4.1
109.02871	2.9
109.10169	12.5
119.07779	4.6
119.08582	64.7
123.08070	3.7
127.03905	4.3
136.06183	3.0
137.05988	4.5
137.09618	67.6
138.09987	2.6
145.04950	4.6
145.92342	2.3
147.08051	10.6
149.02325	2.3
152.05646	14.6
155.10602	5.4
165.09142	8.7
175.07550	3.6
183.10178	18.1
201.11223	100.0
202.11565	4.5
236.09850	2.3
254.91197	2.4
262.42648	2.6
362.18240	3.1
380.16153	2.9
381.10077	3.1
400.02670	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	381.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86749	2.3
69.43425	16.0
107.28552	2.5
189.88850	3.8
219.02745	4.2
381.07944	100.0
382.08224	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	381.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.7
56.96568	36.1
58.47524	3.5
58.96155	2.9
60.45361	3.1
60.95847	9.0
67.05504	4.1
69.03431	21.9
69.20702	9.8
69.21128	15.5
70.06605	6.9
70.58327	3.7
74.06092	3.7
81.03405	10.1
83.04955	3.9
84.08163	6.3
84.96028	5.3
85.02905	10.0
87.04462	4.2
97.02877	18.0
98.97584	68.9
99.04452	5.5
102.35766	3.6
102.96868	100.0
104.10743	40.1
110.97542	20.8
112.99144	4.6
113.05984	5.4
114.96830	8.3
115.00692	5.3
116.98643	27.5
119.01923	4.8
120.97900	38.2
126.05539	4.4
127.03946	6.9
128.98587	19.2
132.97842	6.4
133.01733	4.3
133.03470	4.9
134.99655	6.7
136.06187	4.1
138.98929	11.2
139.00761	4.4
140.98430	15.5
143.00121	5.3
145.04973	5.3
146.99620	11.0
157.01715	9.7
158.99506	50.4
159.03233	7.6
161.01225	5.6
161.02824	5.2
162.02705	3.9
162.98990	16.2
170.99605	6.7
173.01181	6.2
173.02867	3.4
174.97549	4.9
175.02809	13.5
177.00566	40.1
177.04327	18.9
178.45224	3.5
179.21446	3.5
180.99942	18.5
182.99648	4.6
189.00728	9.6
192.98790	3.7
193.03773	5.1
195.01608	6.1
195.05371	10.8
199.00945	4.8
200.09164	3.8
201.00557	69.7
203.02007	4.9
208.01503	5.6
219.01686	66.4
220.01987	5.5
221.05067	8.3
223.01132	7.2
223.04727	7.1
225.07860	8.4
225.58009	7.7
233.06796	7.2
237.02831	42.7
239.02911	6.9
241.02122	8.8
243.01831	6.4
243.05225	4.3
245.04964	5.0
249.01366	5.0
249.11868	5.1
250.02440	4.4
261.02765	41.0
261.05743	5.1
279.03815	11.5
283.03345	6.5
293.05295	4.3
295.05795	7.1
309.05334	3.6
321.04730	8.9
321.08673	27.9
322.08829	4.1
337.07156	4.6
339.05862	5.0
339.09558	20.4
340.09872	4.1
349.08942	10.1
361.18814	3.7
381.07162	33.5
381.11481	25.3
382.20590	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	381.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.8
55.01878	3.7
55.05500	2.4
57.03439	6.6
57.07069	1.0
59.04993	1.4
61.02928	11.2
67.05518	4.4
69.03430	30.3
69.07063	3.0
70.32349	1.0
70.32681	1.5
71.01363	1.1
71.04996	3.7
73.02914	5.2
73.40268	0.7
79.05503	4.7
81.03419	11.3
81.07058	24.3
83.01336	1.6
83.08629	1.2
85.02906	64.7
86.03252	1.6
87.04472	6.0
91.03958	4.9
91.05479	5.4
93.07052	8.0
95.08603	8.5
97.02895	23.6
98.57623	0.7
99.04452	6.0
103.05496	1.0
105.07030	41.8
106.07365	1.9
107.08601	8.3
109.02878	9.2
109.06509	1.2
109.10152	4.0
115.05469	0.7
117.07014	7.7
119.08583	17.2
121.10140	5.2
123.11726	0.8
125.50492	0.6
127.03916	16.3
128.06219	1.4
129.06961	3.4
130.07797	2.2
131.08566	25.6
133.10133	8.9
133.44460	0.7
135.11644	1.0
142.07787	2.6
143.08574	5.7
144.09361	7.0
145.04958	11.9
145.10127	41.9
146.10457	1.8
146.94217	0.8
147.11702	8.4
149.13243	0.9
149.18921	0.8
153.01825	1.4
155.08510	0.9
157.10135	10.0
158.10822	2.2
159.11691	90.4
160.11993	5.4
161.13255	57.5
162.13606	2.1
163.11201	1.2
163.14803	2.7
169.10123	1.1
171.11632	3.3
172.12524	1.3
173.11885	1.4
173.13278	16.8
181.10126	0.9
183.11726	1.5
185.13220	1.4
187.11401	0.9
195.11749	1.0
197.13277	1.2
199.14763	6.1
201.16391	100.0
202.16722	6.1
203.14279	1.3
203.17952	11.4
207.11823	0.9
209.13301	0.8
213.16444	1.1
217.15868	1.7
219.17441	66.7
220.17741	4.2
225.16368	1.0
229.15799	1.5
292.80893	0.7
363.21600	2.1
381.22754	9.8
382.23029	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26981	3.1
53.03950	16.5
55.01872	39.2
55.05511	70.7
57.03439	73.4
57.07084	4.0
59.05000	7.8
65.03967	4.3
67.05508	74.1
69.03429	13.2
69.07069	30.1
71.01346	4.1
71.05011	15.7
71.31058	4.3
73.02915	4.3
79.05492	73.6
81.03419	38.9
81.07055	93.9
82.04198	4.3
82.07395	4.0
83.01349	14.8
83.04978	65.9
83.08626	29.2
84.02127	11.9
85.02906	20.0
85.06557	8.8
91.05481	51.0
93.07041	76.6
95.04962	33.9
95.08605	37.8
96.05738	4.5
97.02895	20.6
97.06538	33.3
97.10162	29.5
99.04462	11.8
99.08109	11.0
103.03951	6.7
105.07024	39.4
106.07374	4.4
107.04939	25.8
107.08591	52.4
107.09283	4.2
109.06528	24.9
109.10162	21.4
111.04440	36.2
111.08105	18.5
115.05457	3.7
116.04723	3.7
117.07008	31.8
118.99500	3.3
119.08571	54.0
121.06506	14.0
121.10143	38.9
123.04479	4.1
123.08055	22.8
125.06020	7.7
125.09641	28.9
129.05511	7.3
129.07010	10.8
130.07809	6.9
131.08568	25.1
133.10136	15.0
135.08046	22.0
135.11676	38.3
137.06035	3.2
137.09630	17.4
139.07524	6.4
143.07016	4.2
143.08537	6.9
145.06494	7.3
145.10123	56.2
147.08064	12.3
147.11676	7.4
149.02357	9.5
149.09656	12.0
151.11215	4.7
153.09134	6.4
153.12764	25.0
155.08531	6.4
157.10107	8.1
157.14111	3.2
159.08055	7.7
159.11736	13.2
161.00842	3.4
161.13208	3.9
163.07556	7.8
163.11180	100.0
165.12737	3.3
169.10117	4.2
171.11749	4.1
173.09581	24.4
173.13298	6.4
176.28520	3.1
179.14253	3.5
181.12199	33.0
183.11707	4.4
187.14806	3.5
189.11261	21.9
191.10678	23.4
193.04935	7.2
201.16356	8.8
209.11723	63.6
210.12364	3.0
219.17401	6.1
227.12775	46.3
228.13368	3.8
233.15392	4.6
235.14806	3.3
243.17473	6.2
261.18448	10.7
271.16959	11.7
283.15390	83.2
283.18344	5.5
284.16132	23.5
289.17926	46.2
307.19058	14.4
363.21686	5.6
381.18048	5.2
381.22714	68.0
382.22910	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	382.147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.0
57.03415	0.8
59.04996	0.8
67.05512	0.7
67.67609	0.6
71.29960	1.1
79.05469	0.9
80.05022	16.6
80.05489	1.1
84.55978	0.6
98.81355	0.6
110.06009	1.0
118.16727	0.7
124.49358	0.6
136.11205	2.6
138.05492	3.6
141.88586	0.6
152.10696	10.4
158.09444	1.2
176.10480	11.2
180.10182	43.4
181.10555	1.4
187.01846	0.7
202.08385	63.1
203.05237	6.0
203.08719	3.0
226.03281	0.6
350.62131	0.6
382.14688	100.0
383.15036	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	382.171
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
56.96583	4.4
57.68066	3.5
64.68784	3.4
66.04021	4.2
69.03434	6.1
69.07085	4.8
69.69537	17.1
70.06610	4.0
70.51308	3.8
72.04527	7.0
79.62155	3.5
81.03437	6.0
82.97643	3.7
84.08132	4.8
85.02919	4.1
86.09721	9.2
90.05566	55.7
92.17388	3.9
95.04971	6.2
97.02899	6.0
98.02427	5.5
98.97545	4.0
99.04478	5.6
116.03464	5.6
121.06557	5.0
124.07610	11.2
135.81769	3.9
136.06189	8.0
137.41400	3.3
142.08672	4.6
146.99554	3.8
150.06612	4.4
184.07364	13.2
184.09727	13.7
185.08052	4.6
202.10765	17.9
203.09099	4.2
220.05791	8.1
220.11790	100.0
245.05176	5.1
323.06107	9.8
382.10931	30.7
382.15063	13.0
383.09018	6.3
383.13379	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	5.6
55.01884	5.8
55.05507	6.2
57.03430	3.5
59.05018	3.4
59.44061	3.4
59.46355	3.3
59.46847	3.6
64.62082	3.4
67.05489	9.0
69.03430	25.6
69.07067	20.8
69.99964	8.4
70.00329	7.0
70.06570	5.5
71.04977	6.9
79.05495	10.5
79.18800	4.3
79.49017	3.5
81.03421	6.7
81.07048	32.6
83.04982	12.7
84.04534	4.4
85.02910	19.6
85.06538	4.4
88.17724	3.3
89.55010	3.2
91.05499	8.7
91.66215	3.5
93.07053	15.4
95.04967	15.1
95.08598	12.2
97.02906	7.7
97.06533	4.3
99.04464	10.7
99.08127	3.9
101.02392	8.7
105.07056	5.2
107.05007	4.0
107.08597	24.0
109.02874	7.9
109.06533	11.3
109.10159	5.5
110.07204	5.2
117.06964	4.0
119.04966	4.5
119.08643	4.0
121.06533	4.6
121.10137	29.5
122.83652	3.6
123.04438	7.4
123.11727	17.3
125.05992	9.4
126.73786	5.1
127.03926	10.0
129.05489	4.5
136.06218	6.7
139.11217	14.6
143.07051	15.2
147.04396	4.4
149.09619	15.5
153.12732	12.1
167.10686	100.0
185.11752	16.1
203.11810	12.7
203.13000	5.0
209.29572	4.0
220.11794	5.1
321.16672	4.1
383.12933	35.1
383.17398	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	382.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98653	0.4
56.96567	7.3
58.91746	0.2
69.94764	0.9
71.95268	2.3
72.20477	0.2
73.43345	0.2
85.98001	0.2
98.97586	100.0
99.97923	0.9
111.02587	0.2
111.49520	0.2
116.98625	48.7
117.98995	0.3
134.99666	14.2
140.00185	0.8
153.00719	1.0
158.01277	0.5
181.97356	0.2
183.96118	0.2
216.98744	1.3
232.63133	0.2
234.99751	1.1
240.98653	4.6
241.00923	0.3
241.98691	0.3
258.99771	57.4
259.99942	4.8
261.03113	0.5
274.97690	0.3
277.00821	79.1
278.01007	5.6
279.01233	0.3
282.01318	0.7
283.00009	0.7
284.00067	0.2
295.01794	0.8
300.02390	1.3
301.01004	0.9
341.03482	0.2
359.00974	0.2
382.99960	0.8
386.36121	0.2
392.79523	0.2
401.00998	3.6
402.01147	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	0.4
71.29881	0.3
72.08152	0.3
81.07032	0.5
82.28899	0.3
85.02932	0.7
87.00845	0.3
91.05477	0.7
95.08649	0.3
97.02901	0.5
105.07005	0.4
109.10199	0.4
117.07074	0.4
121.02921	0.4
121.06532	0.4
123.04401	0.3
131.08620	0.4
135.08093	0.3
147.04411	0.4
159.08047	0.3
159.11646	0.4
164.39891	0.3
173.09604	0.4
203.05281	5.2
203.07040	0.4
203.10356	3.2
203.11696	0.4
221.11531	0.7
383.16760	100.0
384.17084	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	383.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	18.5
55.01873	16.3
55.05518	20.4
55.96373	4.3
57.03428	11.2
59.05003	4.7
61.02936	7.8
62.57517	3.9
62.97742	3.8
67.05499	24.5
68.99792	11.0
69.03429	100.0
69.07060	16.8
69.26314	10.3
69.26723	18.7
71.01369	4.7
71.04992	54.1
73.02918	8.2
73.15495	4.2
79.05499	31.8
81.03416	76.3
81.07055	59.1
83.04971	14.4
85.02912	47.9
85.79836	4.4
87.00825	40.8
87.04482	6.2
91.05486	51.4
93.07044	51.5
95.01332	5.9
95.04988	19.7
95.08606	27.4
97.02892	52.4
97.06500	7.2
99.04490	11.8
99.08096	13.3
103.03938	5.7
103.05476	5.8
105.01888	10.0
105.07027	76.4
107.04941	16.5
107.08585	55.1
109.02901	12.5
109.06523	19.4
109.10156	30.7
111.04462	10.2
115.03928	14.6
115.05482	4.0
117.01860	6.1
117.07008	24.8
119.04956	12.5
119.08575	59.3
121.06511	32.8
121.10126	35.1
123.04440	16.1
123.08072	17.3
123.11698	19.7
125.06030	4.7
127.03931	9.0
127.07535	20.9
127.63267	3.9
128.06224	11.7
129.01875	5.6
129.07027	14.2
130.07773	8.9
131.08582	25.2
133.06493	10.3
133.10139	30.1
135.08044	17.8
135.11696	25.8
137.05981	8.3
137.09612	11.4
137.13261	7.9
141.07016	4.3
143.08575	20.9
144.09114	4.5
145.06470	11.2
145.10112	54.3
147.02907	4.8
147.04388	7.2
147.08058	26.4
147.11711	21.0
149.05995	6.6
149.09550	7.7
149.13249	6.0
151.07549	9.3
151.11200	19.3
153.12787	5.7
155.08562	14.5
157.06468	6.0
157.10138	7.9
158.07332	6.2
159.02921	13.4
159.08051	16.2
159.11661	26.2
160.08752	4.3
161.09621	9.4
161.13306	7.6
163.07626	6.2
163.11188	19.0
165.12735	29.0
169.57915	4.2
171.02962	5.4
171.08047	15.5
171.11829	6.0
173.09651	58.6
173.13182	8.4
175.07518	21.1
175.11241	15.5
177.09039	8.5
177.12791	24.8
179.14435	5.4
183.08113	5.1
183.11522	4.5
187.11247	6.9
189.09123	12.8
189.12785	17.5
191.10690	13.9
193.08588	6.5
193.12241	11.6
197.13187	6.3
201.03917	26.7
201.09105	6.6
201.12781	9.2
201.16295	6.3
205.12256	14.8
207.13783	4.7
215.14305	12.8
219.13820	11.0
225.12778	9.6
231.13777	6.5
233.15271	5.1
243.13757	34.9
261.14862	32.2
279.15967	19.2
283.53638	4.9
297.17136	5.1
308.44531	4.4
321.17081	6.4
340.78262	4.2
347.14890	13.1
362.39563	4.2
365.16171	22.3
383.16946	23.8
394.57172	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	383.2041
Annotation	His Ile Asn
Peak:m/z	Relative Intensity
55.05502	1.9
56.90452	0.7
57.07079	0.8
59.04990	1.1
64.22945	0.6
67.05502	4.3
69.07069	3.2
71.03906	0.6
79.05507	2.3
81.07066	2.6
85.06551	1.5
91.05492	2.0
93.07057	2.4
95.05009	0.8
95.08613	2.1
97.06519	1.9
105.07007	1.4
107.08583	1.3
109.10164	2.4
111.11729	2.9
117.06972	1.0
119.08597	1.9
121.10114	1.6
123.08046	0.6
123.11755	0.8
131.08609	1.0
133.10143	0.7
140.33617	0.7
143.08545	1.6
145.10124	1.3
147.08080	1.1
147.11731	1.2
149.09758	0.8
151.07599	0.8
155.08554	1.2
157.10104	0.9
159.11655	0.8
163.11130	0.7
169.10150	0.8
171.08003	0.7
176.15302	0.9
187.11267	0.8
195.11710	1.2
209.13205	0.8
232.27278	0.9
233.15434	0.7
247.78796	0.7
269.13602	13.7
330.19122	0.8
383.20413	100.0
384.12817	0.7
384.20816	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.1
56.30817	0.8
57.07084	1.6
59.05003	2.1
67.05509	8.2
69.03429	1.3
69.07060	3.4
70.06603	1.3
75.28252	1.0
79.05504	3.3
79.12872	1.0
81.07063	4.7
83.05009	1.4
83.08617	1.6
85.06538	2.6
88.24055	1.0
91.05483	3.9
93.07040	5.1
95.04986	1.8
95.08598	4.5
97.06539	2.3
98.23471	2.2
102.36483	0.9
105.07051	4.5
107.08606	3.7
109.06530	1.8
109.10152	5.6
111.08054	1.2
112.18054	0.9
119.08558	2.7
121.10122	1.7
125.17358	0.9
131.08607	2.7
133.10130	3.1
135.08066	1.2
137.05873	1.1
142.07851	1.3
143.08522	2.1
145.10123	2.2
147.11615	1.0
149.02333	1.1
149.09653	1.3
155.08545	1.4
157.10176	2.2
159.08087	1.4
159.11743	1.5
161.09604	1.0
165.09091	1.0
171.11781	1.3
173.11801	1.3
183.11719	1.3
195.11768	2.1
201.12878	1.1
207.11816	1.2
269.13611	26.8
383.20407	100.0
383.27573	9.1
384.20728	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	383.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	9.2
55.01865	19.8
55.05502	28.7
57.03435	24.1
57.07063	7.6
59.05003	6.8
61.02923	14.0
67.05496	44.4
69.03124	4.9
69.03432	43.4
69.07074	28.1
69.42650	19.6
69.43068	7.7
71.01357	5.6
71.04985	42.6
73.02908	17.1
79.05487	44.4
81.03427	29.0
81.07050	97.5
83.04987	12.9
83.08609	15.8
83.52225	4.5
85.02893	44.9
87.04517	4.6
91.05478	42.1
93.07031	73.6
94.07337	4.6
95.04951	23.3
95.08600	100.0
97.02889	24.7
97.06531	23.8
97.10133	8.8
99.04464	10.5
99.08094	6.1
103.03927	10.4
105.07025	74.8
107.04952	12.8
107.08583	63.1
109.06519	16.9
109.10152	61.8
110.10474	4.4
111.04436	10.8
111.08095	7.9
115.03923	14.2
117.07007	14.0
119.08576	82.8
121.06496	18.3
121.10131	58.4
123.04487	6.5
123.08070	19.2
123.11710	44.2
125.09606	15.4
127.03925	8.9
127.11177	18.0
129.07021	8.9
131.08562	34.4
133.04958	14.4
133.06502	6.4
133.10123	54.9
135.08051	12.7
135.11693	45.0
136.32692	4.2
137.05942	8.2
137.09625	26.6
137.13255	5.2
139.07474	5.2
142.07803	11.7
143.08566	20.1
145.10109	47.9
147.08018	9.0
147.11658	52.8
148.12003	4.4
149.09627	12.6
149.13254	16.7
151.07570	5.3
151.11217	21.3
153.12733	7.3
155.08566	6.9
156.09294	9.3
157.10144	39.7
159.08002	8.5
159.11682	59.9
160.12180	5.0
161.09615	9.2
161.13226	27.9
163.11183	14.0
165.09099	3.9
167.08543	6.1
169.10117	13.0
171.11658	28.4
173.09691	5.8
173.13272	18.2
175.11116	9.2
175.14836	11.6
177.12762	11.0
177.16496	5.5
181.10100	6.1
183.11694	16.4
185.09622	5.6
185.13254	12.5
187.11221	8.6
187.14780	12.3
189.12755	6.2
189.16354	11.0
192.09315	5.8
193.15909	7.0
195.11789	5.9
197.09720	4.9
197.13257	9.6
201.12741	10.3
201.16414	14.6
203.17923	26.4
205.15897	5.1
207.11819	5.7
213.12669	8.4
213.16348	5.8
215.14223	4.8
215.17953	5.5
219.17506	11.1
225.12706	8.3
227.17950	10.5
229.15929	4.6
231.17453	8.3
233.18959	21.6
243.13875	6.6
243.17545	7.8
245.19041	13.8
257.18951	6.0
261.14850	8.8
273.18399	5.4
275.20135	4.7
279.15729	7.0
299.20279	5.4
311.19910	10.4
329.21036	18.2
347.22092	12.7
365.23135	17.4
383.16202	5.4
383.19995	8.2
383.24634	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	383.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.4
54.17819	6.3
55.01868	16.4
55.05509	27.5
57.03431	17.8
61.02924	8.1
65.03913	6.7
67.05503	34.9
69.03436	42.5
69.07063	29.8
70.55185	10.8
71.04995	59.3
73.02897	12.8
74.40466	5.9
79.05499	39.8
81.03403	22.2
81.07054	100.0
83.05006	9.5
83.08593	16.5
85.02898	47.4
87.08128	8.7
91.05486	31.6
93.07035	66.2
95.04966	27.2
95.08603	57.5
97.02888	29.0
97.06543	21.8
97.10159	6.6
99.04443	11.8
100.11269	7.6
103.03931	9.0
105.07024	75.4
106.41602	7.8
107.04966	12.5
107.08597	72.0
109.02845	7.9
109.06511	28.5
109.10157	55.6
111.04433	17.5
111.08054	10.5
115.03909	8.0
117.07006	19.8
119.08585	82.2
121.06476	10.5
121.10140	60.5
123.08042	25.7
123.11704	30.8
125.09607	12.5
127.11210	32.7
128.78630	6.3
129.06978	8.8
131.08553	31.2
133.10106	62.0
135.08026	19.3
135.11674	38.5
137.05983	8.7
137.09636	26.4
137.13225	9.2
141.05469	9.2
142.07828	6.7
143.08540	10.9
145.05214	6.9
145.06477	10.4
145.10117	53.4
147.08005	9.7
147.11682	59.6
149.13258	21.6
151.11179	11.4
153.12755	15.3
155.08514	13.1
156.09392	11.6
157.10114	42.9
159.08018	10.7
159.11716	61.0
161.09634	12.6
161.13232	26.2
163.11139	10.8
163.14838	8.6
169.10152	10.3
171.11668	20.0
173.09682	6.7
173.13287	22.2
175.11029	11.3
175.14818	16.5
177.12691	15.4
181.10262	7.3
183.11734	15.1
185.13257	18.3
187.11217	8.2
189.16373	35.5
193.15808	9.6
201.12706	14.4
201.16400	25.3
203.17944	17.8
213.16469	9.2
219.17398	7.1
221.19032	9.8
225.12782	13.3
227.17998	10.8
231.17479	6.4
233.18994	14.5
243.13857	10.6
245.18994	13.4
257.18823	7.2
261.14825	12.7
287.20148	7.5
311.19940	8.6
329.21222	16.3
347.22052	12.8
365.23264	20.1
383.24249	61.5
384.24750	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	383.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30102	5.2
53.03938	6.6
55.01864	14.9
55.05514	34.7
57.03439	14.4
57.07081	6.1
61.02940	6.5
62.21484	4.9
65.03943	7.0
67.05502	49.2
69.03417	51.8
69.07071	37.3
70.89707	11.0
71.04996	43.9
73.02920	11.6
76.43387	6.1
79.05497	47.9
81.03418	34.2
81.07060	100.0
83.04990	15.9
83.08613	15.4
85.02905	40.3
85.06543	9.3
91.05463	44.1
93.07035	63.1
95.04977	29.7
95.08614	77.1
97.02904	19.9
97.06530	29.1
97.10180	8.0
99.04466	8.0
99.08080	7.1
103.03942	14.0
105.07025	67.6
107.04967	10.9
107.08601	69.5
109.06508	15.2
109.10164	58.3
111.04411	10.5
111.08083	8.5
117.06994	16.6
119.04926	10.7
119.08579	92.4
121.06506	12.2
121.10143	53.3
123.04398	12.6
123.08056	17.6
123.11705	27.9
125.09620	16.6
127.03876	5.3
127.07600	7.6
127.11163	10.0
128.06284	7.7
129.05486	6.4
129.07002	8.4
131.08549	28.4
133.04916	7.9
133.06479	8.8
133.10127	54.8
135.08051	12.0
135.11673	48.1
137.05991	6.5
137.09628	21.1
137.13232	7.6
139.07526	8.9
139.11230	6.6
142.07761	8.1
143.08601	15.1
145.10127	44.2
147.04396	42.6
147.07979	7.9
147.11670	48.0
149.02345	6.0
149.09743	7.3
149.13234	13.9
151.11169	7.6
153.12764	9.7
155.08589	7.7
157.10106	27.9
159.08058	8.7
159.11688	51.2
161.09634	18.2
161.13289	22.2
163.11205	9.8
165.09129	6.3
165.12802	8.6
169.10150	10.7
171.11691	24.5
173.13289	15.8
175.11137	7.5
175.14856	13.6
177.12791	7.4
181.10068	8.3
183.11736	10.7
187.14876	14.9
189.12874	6.7
189.16324	18.7
193.12344	5.8
197.13240	10.4
201.12689	15.1
201.16475	11.2
203.17839	11.7
213.16316	8.8
215.14247	6.2
219.13817	7.3
219.17453	7.8
221.18950	8.1
227.17834	8.1
233.18979	15.1
243.13867	6.6
245.19044	12.4
279.15735	6.3
311.20163	8.9
321.01306	5.4
329.20984	9.4
339.08917	6.4
347.22125	17.8
355.11630	8.5
365.23169	12.2
383.16177	18.0
383.20258	16.9
383.24741	28.7
383.28821	7.0
402.18503	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	383.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.5
55.01883	7.8
55.05510	24.3
57.03437	11.0
57.07060	10.5
61.02942	10.5
67.05499	40.0
69.03438	27.0
69.07070	30.3
70.51569	15.0
71.01377	8.4
71.04989	54.3
76.01881	5.8
77.94461	4.8
79.05494	51.2
79.24231	5.5
81.03415	24.9
81.07058	100.0
81.59361	4.7
83.04996	11.4
83.08620	10.9
85.02901	37.4
91.05467	36.5
93.07053	61.3
95.04987	24.6
95.08617	53.4
97.02908	20.2
97.06527	21.8
99.04491	8.1
99.08070	9.1
100.11258	10.2
103.03933	11.0
105.07031	73.3
107.04996	8.9
107.08591	89.1
109.06527	24.3
109.10168	68.0
111.04430	14.1
112.27632	5.1
115.05433	7.3
117.07019	23.5
119.08582	77.0
121.06509	13.5
121.10148	57.5
123.08096	20.6
123.11710	25.4
125.09624	11.8
127.03915	10.6
127.11195	28.6
129.06955	14.0
131.08583	24.9
133.06514	9.6
133.10144	51.7
135.08093	12.6
135.11676	51.8
137.09645	13.6
139.11145	5.8
141.06956	8.3
142.07784	7.8
143.08557	16.6
145.10121	42.4
147.08002	6.8
147.10680	7.9
147.11646	39.2
149.09631	10.5
149.13309	11.3
151.11150	8.9
153.12743	18.6
155.08556	7.5
156.09367	6.5
157.10130	30.5
159.11661	48.6
161.09662	10.1
161.13290	16.2
171.11665	15.6
173.09619	7.0
173.13263	15.6
175.11153	8.3
175.14912	12.8
177.12822	17.4
177.16336	9.3
180.77171	5.2
181.10170	5.5
183.11696	12.1
185.13258	8.5
187.14714	5.6
189.16319	8.9
193.15907	14.2
197.13318	6.4
199.14973	5.1
201.12706	8.4
201.16399	10.5
203.17998	18.3
207.17145	5.2
213.12720	6.6
215.18036	7.6
221.19090	8.8
225.12944	8.5
227.17892	12.1
243.13933	5.3
243.17355	6.8
245.19022	9.5
257.81152	6.6
261.14682	8.3
299.19962	8.8
329.21274	6.3
347.22208	11.2
365.23273	12.5
383.24179	23.7
384.24438	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	383.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.1
55.01872	3.6
55.05507	18.6
57.03452	2.5
57.07074	10.6
59.04993	7.1
65.03939	3.6
67.05504	30.6
68.04034	1.3
69.03429	15.8
69.07062	7.5
71.04982	5.7
77.03930	2.9
78.55833	1.3
79.05058	3.0
79.05486	32.3
81.03413	2.5
81.07056	34.2
83.04978	8.6
83.08607	4.9
83.51118	1.8
85.06539	6.1
91.05476	45.8
93.07042	100.0
94.07387	2.1
95.04967	25.0
95.08607	41.1
96.08953	1.6
97.06512	17.2
103.05466	4.3
105.04515	3.7
105.07026	84.0
107.04932	4.5
107.08596	41.5
108.05737	2.6
109.06527	24.0
109.10146	18.5
111.08079	10.9
115.05457	5.4
117.07005	13.4
119.04939	1.6
119.08576	61.3
120.09395	1.7
120.39466	1.4
121.06516	14.8
121.10135	43.4
123.08064	29.7
123.11691	3.7
125.09618	1.6
125.94746	1.5
128.06215	9.2
129.07014	12.7
129.19647	1.6
130.07756	5.3
131.08568	26.4
133.06480	9.8
133.07397	2.2
133.10120	34.0
133.35313	1.5
133.96396	1.4
134.10547	2.2
135.08057	25.7
135.11679	5.0
136.08467	1.7
137.05966	4.6
137.09605	12.5
141.06992	6.4
142.07765	22.3
143.08560	34.4
144.09326	4.7
145.06468	4.1
145.10107	37.7
146.07271	2.2
147.08061	22.4
147.11670	16.4
148.08803	3.2
149.09608	24.2
151.07532	44.7
152.01889	1.4
153.07037	1.9
153.09100	3.0
155.08534	5.5
156.09378	9.2
157.10120	46.1
158.10616	1.9
159.08060	10.6
159.11690	14.8
160.08771	4.1
161.09616	25.1
161.13246	10.0
162.10068	1.9
163.11157	9.1
165.07036	2.0
165.09111	43.6
166.09471	2.4
167.08530	2.0
169.10121	6.9
170.10887	9.0
170.92358	1.5
171.08058	1.7
171.11644	9.1
173.09641	10.7
173.13255	9.0
174.10410	2.8
175.11189	22.5
175.14798	9.4
177.09105	12.8
179.08598	2.7
181.10088	4.3
181.12198	2.0
182.10880	2.3
183.11665	6.8
185.09573	3.7
185.13240	23.3
186.13684	3.2
187.11212	7.6
187.14760	3.7
189.12753	12.8
191.14368	3.3
193.10092	3.6
194.10863	1.9
195.11707	4.9
197.13313	7.8
199.11273	3.3
199.14812	2.9
201.12695	7.8
201.66986	2.0
203.14308	33.1
204.14648	2.3
206.10896	1.7
207.11858	3.7
207.13814	14.2
209.13280	6.3
209.15370	5.3
211.11153	3.5
211.14848	2.4
213.12692	6.4
215.10609	2.1
215.14235	7.6
219.13768	3.7
221.13396	3.3
221.15343	71.9
222.15752	4.4
225.12764	3.1
227.14314	2.8
229.12238	1.8
231.13849	4.5
233.15335	5.0
234.16084	9.4
241.15923	1.7
243.13805	5.6
253.15924	2.2
255.17593	2.6
267.17603	1.9
269.18869	2.1
271.16995	2.1
274.19354	2.6
281.19098	3.6
286.19266	6.0
287.20093	10.3
299.20032	6.6
300.20844	2.6
303.19476	8.0
309.18390	4.6
327.19403	2.0
347.23837	2.0
365.24619	8.5
366.24899	1.8
383.25778	70.7
384.25967	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	383.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01347	2.1
51.74362	1.9
52.12777	1.8
53.03943	6.5
55.05510	17.2
57.07081	10.5
59.05000	7.2
60.60194	1.8
61.01368	2.1
65.03938	5.5
65.84782	1.9
67.05505	33.8
69.03428	17.4
69.07058	9.0
69.42572	11.5
71.04990	8.1
77.03890	2.7
79.05497	32.0
81.07059	41.3
83.04983	8.1
83.08604	3.7
85.06552	6.6
89.37524	2.2
91.05482	50.5
93.07045	100.0
94.07376	3.1
94.41836	1.8
95.04965	28.0
95.08605	45.8
95.09172	3.9
95.18819	1.9
95.89716	1.9
97.06528	13.2
98.22573	2.9
103.05505	3.3
105.07031	95.6
107.04932	2.5
107.08594	46.4
108.08892	2.2
109.06526	23.0
109.10172	27.5
111.08071	8.3
115.05450	6.1
116.06284	2.7
117.07034	13.9
119.08578	60.6
120.09396	3.7
121.06505	16.1
121.10151	42.2
122.10453	3.3
123.08068	39.5
123.11715	3.0
128.06236	8.4
129.06976	14.2
130.07768	4.5
130.28349	1.9
131.08559	33.8
133.06473	7.2
133.10129	36.1
135.08054	24.2
135.11685	4.4
137.05984	3.4
137.09619	16.9
141.07037	4.0
142.07759	25.2
143.08546	23.3
144.09334	6.4
145.06461	3.5
145.10126	35.4
146.07249	2.3
146.10556	2.3
147.08040	27.1
147.11713	15.1
148.08784	3.9
149.09612	25.6
151.07544	48.4
152.07761	2.1
153.09129	5.5
155.08559	8.5
156.09315	6.5
157.10124	47.8
159.08067	6.6
159.11696	16.0
161.09608	21.6
161.13277	7.7
163.11197	9.7
165.07039	3.5
165.09120	56.1
168.09268	2.4
169.10147	6.4
170.10899	6.7
171.11739	5.6
173.09639	12.7
173.13239	6.1
174.10260	2.9
175.11191	24.3
175.14879	9.4
177.09100	11.3
179.08481	3.1
181.10075	2.9
183.11690	5.8
185.09636	3.8
185.13290	19.3
187.11099	5.5
187.14842	3.6
189.12749	11.1
191.14275	4.9
195.11633	4.4
197.13269	6.0
199.11241	5.1
199.14864	3.2
201.12776	9.0
203.14330	41.9
207.11922	3.8
207.13773	16.4
209.13362	5.2
209.15393	6.1
213.12790	4.0
215.14307	5.1
216.15280	2.7
219.13759	3.7
221.13351	3.7
221.15340	97.5
222.15735	5.7
223.14948	3.0
225.12888	4.8
227.18083	3.0
231.13805	4.1
233.15398	5.6
234.16153	7.9
237.14708	4.5
243.13806	3.6
286.19257	6.4
287.19974	9.2
299.20090	7.6
303.19528	9.5
309.18552	3.2
347.23633	5.6
365.24698	9.8
383.20697	3.2
383.25775	56.5
384.11453	2.4
384.26242	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	383.258
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03941	6.0
55.01880	3.5
55.05518	16.8
57.03425	4.6
57.07080	9.8
59.04994	7.3
65.03954	4.0
67.05506	29.3
69.03429	13.3
69.07063	6.9
70.53970	3.3
71.04993	8.0
79.05491	31.3
81.07059	32.7
83.04982	11.7
83.08629	4.4
85.06547	6.0
91.05482	47.0
91.38277	2.6
93.07045	100.0
95.04974	30.0
95.08611	40.2
96.08929	3.1
97.06526	13.8
103.05434	4.1
105.04517	2.9
105.07030	83.4
106.07358	2.2
107.08591	45.1
108.05684	2.1
109.06533	24.4
109.10147	21.0
111.08089	12.2
113.40015	2.2
115.05472	6.0
116.06248	3.5
117.07007	11.5
119.08572	57.2
120.09412	2.7
121.06514	16.1
121.10139	44.8
123.08072	38.5
128.06195	11.4
129.06985	14.2
130.07780	4.5
131.08574	30.6
133.06523	8.3
133.10115	33.6
135.08043	22.8
135.11694	6.9
137.05928	3.3
137.09624	17.2
138.99304	2.4
139.07463	2.6
141.07014	7.1
142.07776	24.5
143.08553	24.0
144.09331	4.6
145.06439	4.0
145.10112	37.5
146.07324	4.3
147.08064	31.2
147.11702	20.4
148.08798	5.1
149.09625	24.9
151.07549	44.0
152.07947	2.7
153.09149	3.5
155.08565	5.9
156.09319	9.8
157.10124	46.3
157.11281	3.9
158.10590	4.4
159.08073	13.0
159.11685	16.3
160.08780	4.8
161.09610	27.2
161.13301	10.1
163.11194	9.8
165.09134	45.5
169.10162	7.6
170.10896	8.1
171.11703	9.2
173.09572	12.9
173.13287	10.6
175.11191	20.8
175.14786	9.3
177.09108	11.0
179.10663	2.7
181.10141	7.9
181.12231	3.7
183.11731	7.6
185.09689	3.4
185.13242	21.7
187.11224	6.3
187.14803	3.8
189.12714	12.9
191.14355	3.1
193.10120	4.0
194.10970	3.3
195.11714	6.6
197.13300	5.1
199.14709	4.5
201.12779	8.2
203.14323	36.4
204.14734	2.6
207.11911	3.4
207.13789	15.2
209.13303	6.6
209.15363	5.8
213.12802	4.1
215.14342	7.4
219.13843	3.9
221.13313	3.4
221.15353	78.4
222.15697	7.3
223.14742	5.2
225.12811	3.5
225.16434	2.6
227.14368	5.8
229.15878	3.7
231.13818	3.7
233.15439	6.3
234.16112	11.2
269.19244	2.6
281.19061	4.4
282.98022	3.2
286.19232	9.3
287.20020	12.7
291.17264	3.4
299.20248	5.6
303.19547	9.9
309.18506	4.4
365.24759	10.8
366.25119	2.9
383.25763	66.0
384.26114	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	383.258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44251	1.7
51.02369	2.0
52.60505	1.7
53.03942	7.6
55.01856	2.4
55.05510	14.2
55.49301	1.6
57.07077	13.8
57.77676	1.7
59.04995	7.5
65.03938	3.6
67.05506	26.6
69.03429	17.1
69.07069	11.4
69.54996	4.2
69.55392	5.7
71.04993	7.8
79.05492	31.6
81.07059	35.5
83.05002	5.1
85.06532	8.5
91.05482	52.2
93.07043	100.0
94.07354	2.5
95.04966	28.9
95.08604	41.0
97.06535	12.9
103.05480	3.1
105.07032	91.1
106.07379	7.6
107.04954	5.1
107.08598	41.7
108.08957	2.1
109.06526	28.0
109.10161	20.9
111.08089	7.7
115.05441	3.4
116.06238	2.2
117.07018	14.4
119.04972	2.5
119.08585	57.4
120.09354	5.2
121.06518	17.3
121.10146	47.3
122.09673	4.1
123.08058	35.0
128.06183	9.1
129.06990	16.8
130.07773	6.1
131.08572	27.3
133.06496	8.8
133.10127	31.5
135.08057	25.8
135.11729	4.1
137.06000	3.6
137.09628	13.3
141.06952	3.5
142.07799	23.1
143.08574	26.7
144.09375	4.1
145.06456	5.2
145.10121	39.6
146.07220	2.0
146.10481	2.0
147.08041	30.3
147.11659	16.1
149.09610	23.5
150.10313	2.2
151.07547	43.2
152.07799	2.0
153.09114	4.4
155.08575	6.5
156.09341	10.0
157.10121	41.1
159.08070	7.8
159.11693	13.2
160.08820	6.1
161.09613	23.3
161.13225	7.0
163.11177	9.1
163.33867	1.9
165.09113	46.6
168.09367	2.4
169.10107	6.5
170.10867	6.0
171.11705	6.3
173.09647	10.1
173.11894	2.3
173.13295	7.3
175.11198	19.6
175.14787	10.5
177.09122	8.2
181.10117	2.4
182.10878	2.2
183.11702	5.7
185.09541	3.3
185.13216	16.1
187.11172	6.8
187.14828	2.8
189.12711	11.2
191.14343	4.0
192.09372	2.1
194.10875	3.1
195.11630	3.3
196.12354	2.9
197.13399	4.0
199.11192	3.9
199.14769	2.8
201.12733	7.8
203.14308	34.2
207.11929	3.1
207.13799	12.3
209.13292	4.0
209.15346	4.1
211.11113	3.5
211.14806	4.5
213.12764	5.9
215.14273	4.9
217.12344	2.3
218.70775	1.9
219.13809	3.7
221.15355	88.9
222.15718	5.4
223.14894	3.4
225.12921	4.0
225.16417	2.3
227.14325	2.6
229.12152	3.1
233.15440	3.8
234.13969	2.0
234.16200	7.2
237.14824	3.2
243.13715	3.9
263.17920	3.0
269.19095	2.3
271.15149	2.5
274.19275	3.5
281.19159	5.0
285.18442	3.8
286.19257	6.6
287.19983	9.1
299.20068	7.1
303.19449	9.8
309.18396	3.8
327.21460	5.0
347.23535	3.3
365.24823	10.6
383.25784	54.0
384.26074	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	383.258
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
51.92878	2.3
53.03937	7.6
55.01863	4.3
55.05514	17.6
57.07066	12.2
59.05006	8.3
65.03933	4.1
65.70259	2.2
67.05501	32.5
69.03432	16.8
69.06493	18.9
69.07065	11.0
71.04985	7.9
79.05495	29.9
81.03435	3.5
81.07054	38.4
82.03836	2.2
83.04986	7.0
83.08607	3.1
83.12510	2.0
85.06539	9.3
87.26049	2.0
91.05482	53.9
93.07043	100.0
95.04967	30.5
95.08045	3.9
95.08604	41.9
96.74690	2.1
97.06538	16.8
103.05482	3.2
105.04529	3.5
105.07029	92.5
107.08595	46.9
109.06516	30.5
109.10151	11.6
110.17123	2.3
111.08067	11.5
115.05498	2.9
117.07040	13.8
117.07742	2.1
118.74609	2.4
119.04948	2.8
119.08580	52.3
120.09386	3.7
121.06528	19.2
121.10144	50.0
123.08078	34.3
128.06229	10.7
129.07037	13.7
130.07770	4.0
131.08575	27.2
133.06499	10.5
133.10139	32.7
135.08064	24.6
135.11700	7.0
137.06000	3.1
137.09616	12.7
141.06969	5.9
142.07767	23.3
143.08560	26.2
145.06445	4.4
145.10127	41.4
146.07228	3.5
147.08038	28.9
147.11673	20.3
148.08884	3.5
149.09613	26.2
150.10216	2.6
151.07527	50.4
152.07845	3.0
153.09161	5.3
155.08545	8.0
156.09377	9.6
157.10132	46.0
159.08112	8.1
159.11700	20.5
160.08881	4.9
161.09612	27.5
161.13251	9.2
163.11192	8.8
165.09103	46.9
167.08633	2.5
169.10095	5.4
170.10904	7.4
171.11676	11.8
173.09624	9.3
173.13258	8.8
175.11191	23.4
175.14833	11.1
177.09099	10.7
178.09799	2.5
179.08496	3.6
181.10175	2.9
181.12163	3.1
183.11687	6.7
185.13255	25.9
187.11169	9.8
187.14793	3.2
189.12704	13.0
191.14337	4.7
193.10161	4.0
195.11757	6.6
197.13303	6.4
199.11172	2.3
201.12740	10.9
203.14319	35.9
203.16064	3.5
207.12102	3.3
207.13748	12.5
209.13284	3.7
209.15323	5.6
211.11211	2.8
213.12766	3.9
215.14204	5.8
216.15057	3.9
219.13718	5.1
221.15359	81.9
222.15636	7.2
223.14684	3.8
225.12639	2.4
227.14256	7.3
228.70905	2.5
231.13707	3.7
233.15323	6.3
234.16101	9.1
271.16977	3.6
281.19031	4.5
286.19244	5.4
287.20068	10.5
299.19983	5.0
303.19528	9.3
309.18588	4.0
365.24704	10.5
383.11801	3.2
383.25769	70.0
384.26074	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	383.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.7
55.01868	2.6
55.05510	18.0
57.03442	2.4
57.07076	11.4
59.04988	7.4
62.63165	1.9
64.71410	2.0
65.03934	4.6
67.05508	32.7
69.03432	20.2
69.07048	9.3
69.26147	1.8
69.62389	7.0
69.62800	3.9
71.04984	6.7
77.03946	2.0
78.83229	1.7
79.05490	28.4
79.10102	1.8
81.03407	3.1
81.07056	40.0
83.04972	8.1
83.08633	3.0
84.83844	2.2
85.06552	5.9
85.80663	1.9
91.05477	51.2
92.82845	2.3
93.07041	100.0
94.07382	3.1
95.04964	25.5
95.08609	44.3
97.06523	18.8
103.05462	3.8
105.07030	91.8
107.04956	2.6
107.08596	48.3
108.08867	2.4
109.06516	26.9
109.10155	31.4
111.08092	12.2
115.05479	4.9
117.07052	12.8
119.04942	3.2
119.08580	61.7
120.09363	2.0
121.06513	12.8
121.09305	3.2
121.10143	47.7
122.10506	2.1
123.08070	35.2
125.09656	2.5
128.06206	8.8
129.07007	13.5
130.07771	6.7
131.08577	31.6
133.06480	8.1
133.10133	35.8
135.08049	27.1
135.11656	4.6
137.09602	12.8
141.07002	5.3
142.07768	28.0
143.08568	23.7
144.09323	3.1
145.06462	3.8
145.10110	39.8
147.08051	29.8
147.11665	15.4
148.08810	4.1
149.09610	22.3
151.07539	46.0
153.09119	4.7
155.08569	6.7
156.09341	7.4
157.10127	43.7
158.07237	3.0
158.10655	3.2
159.08066	8.9
159.11676	17.0
160.08806	4.8
161.09593	25.7
161.13243	9.9
163.11162	6.6
165.09119	52.7
167.08574	3.1
169.10120	6.1
170.10852	9.6
171.11658	6.8
173.09650	13.1
173.13292	10.7
175.11142	19.8
175.14807	9.6
177.09082	9.7
177.12692	3.6
178.09778	2.5
179.08539	4.2
181.10168	2.4
183.11690	5.6
185.09599	3.4
185.13234	18.0
187.11165	6.1
187.14751	3.7
189.12749	12.3
191.14258	2.6
193.10107	2.3
194.10945	3.5
195.11690	4.9
197.09715	2.1
197.13293	7.2
199.11244	2.8
201.12735	5.8
203.14310	32.6
207.11928	3.3
207.13788	12.9
208.12456	2.0
209.13295	6.3
209.15337	4.7
211.14816	5.4
213.12737	5.3
213.16466	2.7
215.14372	9.5
217.12244	2.4
219.13719	3.1
221.15352	93.7
222.15724	4.7
223.14886	3.5
227.14316	3.7
231.13795	5.9
233.15381	5.7
234.16112	9.3
243.13799	3.3
253.15819	3.0
259.16803	2.5
267.17429	2.3
269.18811	2.1
285.18552	3.0
286.19250	5.7
287.20108	7.5
291.17432	2.9
299.20065	5.9
303.19528	11.7
305.42227	1.9
327.19385	2.3
347.23776	2.4
365.20746	3.4
365.24802	8.1
383.20514	8.2
383.25711	53.0
384.26138	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	383.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15591	0.5
55.05502	1.8
57.07055	1.2
58.69929	0.5
59.04999	1.4
59.39980	0.5
67.05504	4.1
67.80295	0.4
69.02124	4.5
69.07076	1.3
71.08637	1.6
72.08950	0.5
79.05479	1.4
81.07071	1.4
83.08607	0.8
85.06066	0.5
85.06549	1.5
85.10199	0.6
89.06028	3.6
91.05484	1.6
93.07066	2.4
95.04971	0.9
95.08603	1.8
97.06541	1.5
98.22632	1.2
105.07022	1.9
106.08715	0.5
107.08609	1.4
109.10148	3.0
111.50457	0.5
119.08588	2.3
121.10116	1.0
124.92675	0.5
126.78309	0.7
131.08562	0.7
133.08633	0.9
133.10123	0.7
135.08026	0.6
135.11754	0.6
141.07045	0.6
143.08537	0.7
145.10126	1.1
155.08539	0.6
157.10159	1.5
159.11716	0.6
161.09714	0.9
171.11664	0.7
173.11647	0.5
179.08463	0.6
183.11737	0.7
195.11774	0.6
303.30750	0.8
311.20059	0.6
383.27667	100.0
383.80084	0.6
384.28049	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	384.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00234	2.7
56.96555	6.3
70.26012	4.9
70.26357	3.2
79.65372	2.3
96.88055	2.3
97.98523	2.6
98.23364	3.0
98.97585	3.5
125.00018	10.6
138.02242	6.1
156.03282	3.6
204.04237	100.0
205.04631	5.3
206.04849	14.9
208.06445	2.8
208.57991	2.7
210.04398	4.9
224.05942	60.6
234.04430	2.9
242.07001	15.9
252.05498	8.4
264.05417	53.5
282.06503	58.9
324.07492	13.4
384.10052	40.2
385.10403	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	384.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	3.6
58.42205	2.1
60.58367	1.9
70.36582	5.9
72.76250	1.8
106.18161	1.9
125.00038	13.4
138.02286	2.8
156.03413	2.7
204.04242	100.0
205.04581	5.0
206.04944	10.3
208.06358	3.9
210.04437	4.5
224.05966	46.9
225.06117	2.4
234.04439	3.0
242.06944	13.6
252.05479	7.2
264.05432	34.0
282.06509	41.3
309.56393	2.0
324.07626	16.2
334.31082	2.1
335.27579	2.2
384.10095	43.0
385.10388	2.5
385.14954	10.6
385.18771	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	384.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52138	0.4
59.07305	0.4
67.49088	0.5
70.06609	0.6
70.15549	1.5
72.27344	0.4
88.36554	0.4
108.08092	0.6
108.19997	0.4
136.07527	2.0
140.23216	0.5
164.07051	1.6
203.05281	7.1
204.06322	36.8
205.06676	1.5
222.07620	2.1
240.07214	1.0
252.07106	0.5
264.07294	1.2
384.12634	100.0
385.13000	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	384.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07323	1.4
51.15625	1.3
53.03946	7.3
55.01860	8.3
56.24263	1.4
57.00628	1.5
57.03428	7.9
57.07061	3.2
61.02920	9.6
68.99786	2.0
69.03086	2.5
69.03430	33.5
71.04981	6.0
73.02921	5.9
81.03418	26.1
82.06551	1.7
83.01317	2.1
85.02902	100.0
87.00829	48.8
87.04472	2.8
93.07021	2.2
97.02892	36.0
98.03212	1.8
99.04453	13.3
105.01862	66.3
109.02127	1.7
109.02870	30.2
110.06033	3.4
115.03941	1.6
117.01840	2.9
119.10726	4.7
122.06000	2.8
127.03909	69.4
128.04237	1.6
140.07036	3.8
145.04956	32.4
147.02916	2.5
147.04373	3.1
148.04744	4.0
153.05406	3.3
156.06551	1.9
159.02898	13.0
174.50133	1.5
189.03955	2.9
213.03867	4.2
231.04984	19.7
249.06165	4.9
384.16968	3.0
385.18216	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	384.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74092	2.0
55.05508	2.9
57.03443	2.6
58.06610	2.8
60.85867	2.0
61.37554	2.3
64.17894	2.3
66.22474	2.3
69.03429	10.1
69.07046	9.2
69.44228	4.9
69.44637	10.0
70.06596	3.4
71.04993	16.3
72.40924	2.4
79.05482	7.6
81.03410	6.4
81.07055	42.1
81.68738	2.0
83.04976	4.7
84.08176	3.3
85.02897	16.1
91.05495	3.2
93.07051	2.3
95.04964	5.5
95.08637	3.1
97.02906	5.3
97.06516	3.5
98.22671	3.6
99.04459	4.9
99.08101	3.6
105.07018	3.5
107.08595	9.2
109.02821	3.0
109.06548	3.2
109.10159	10.5
111.11745	5.0
122.05995	4.0
123.11717	15.9
127.03918	3.8
136.06134	2.8
139.11179	6.8
147.04445	3.5
149.02304	5.5
149.25226	2.8
151.11168	16.6
157.12320	12.3
169.12257	25.2
182.08199	4.9
187.11610	5.1
187.13300	100.0
188.13588	3.8
203.11794	9.2
204.04182	4.0
204.06592	2.5
204.12106	13.7
222.11240	5.3
222.13370	3.6
223.09435	13.9
224.05812	2.6
264.05368	2.6
286.42786	2.6
341.15884	2.9
366.16113	2.4
384.12213	3.9
384.16409	7.6
384.23785	2.9
385.10013	2.8
385.14645	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.1
55.05494	6.5
57.03429	5.9
58.97777	3.8
61.02941	5.7
61.77744	3.7
66.34608	4.2
67.05508	6.3
69.03438	26.3
69.72379	18.1
70.06588	10.2
71.04993	5.4
79.05502	12.4
79.46342	4.1
80.17469	4.1
81.03406	10.8
81.07050	7.1
83.04984	25.0
84.04523	4.4
85.02914	56.7
91.05485	15.7
93.07040	13.9
95.04970	13.4
95.08604	6.8
95.27417	4.2
97.02899	16.0
97.06545	11.7
98.22647	5.8
99.04442	4.8
103.03951	6.1
105.07043	23.4
106.32791	4.2
107.08575	11.9
109.02890	9.3
109.06517	18.2
117.07023	10.4
119.08590	19.7
121.06522	8.7
121.10190	9.6
123.08060	15.9
125.06012	7.2
127.03909	9.2
129.05518	5.3
135.08058	5.7
136.07602	8.2
145.10120	15.7
147.04393	5.9
147.08064	14.5
148.33025	4.7
149.09694	4.0
155.11816	9.0
159.07961	4.9
159.11720	15.3
161.09682	6.4
163.11191	17.0
165.09138	14.5
167.07016	5.3
167.10744	4.3
178.08551	4.5
187.11211	7.4
195.10130	8.1
203.05217	5.2
205.12256	21.5
206.15428	4.2
208.09772	5.3
223.05702	6.4
223.09514	5.6
223.13242	34.7
245.89600	5.1
247.13354	9.6
274.89651	5.0
367.18008	5.8
385.10934	6.1
385.14639	100.0
385.18661	38.8
386.14575	9.8
386.18903	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	385.2373
Annotation	Mutisicoumaranone D
Peak:m/z	Relative Intensity
52.50521	4.7
55.05514	24.0
57.03438	6.3
57.07072	8.6
59.05017	11.7
65.03953	4.3
67.05492	22.1
69.03430	8.3
69.07063	12.6
71.05007	10.5
71.28700	4.9
71.29077	7.0
74.37418	4.0
79.05490	23.3
81.07047	36.4
82.30846	4.8
83.04997	9.8
83.08627	15.8
85.06551	17.0
91.05480	46.7
93.07045	45.5
95.04974	23.8
95.08612	43.8
97.06554	15.2
99.04475	9.4
102.05375	4.9
102.83864	5.0
105.07024	64.0
107.04944	8.3
107.08601	55.4
109.06519	25.1
109.10166	17.6
109.56176	4.2
111.04478	14.1
111.08085	26.0
113.06042	6.0
117.07009	21.6
119.08590	68.1
121.06527	18.1
121.10147	23.5
123.08080	49.9
123.11724	25.8
125.06015	7.7
125.09594	5.3
128.06219	11.6
129.07021	27.4
130.07784	10.3
131.08575	58.0
133.06512	9.8
133.10155	21.6
135.08023	24.8
135.11696	33.6
137.05981	28.3
137.09615	5.9
141.07005	7.2
142.07803	9.1
143.08543	22.0
144.09364	12.1
145.06505	6.5
145.10132	68.9
147.08049	21.7
147.11717	10.8
149.09576	27.1
151.07549	99.7
151.11269	8.2
156.09343	9.6
157.10201	22.1
158.07330	6.3
159.08105	28.7
159.11737	52.9
161.09644	17.4
162.10368	9.5
163.11169	36.2
165.09135	16.9
169.10158	11.7
171.11621	12.6
172.08847	10.0
173.06052	4.9
173.09627	12.0
173.13309	11.6
175.11145	9.8
177.09120	26.7
177.12717	38.8
179.14496	5.5
181.12236	4.8
183.11655	13.4
187.11201	45.0
189.12746	29.4
191.14421	6.0
193.05016	7.5
193.10237	5.6
197.13290	7.6
199.11252	13.9
203.14334	7.9
205.12267	65.4
207.13869	14.5
209.13432	6.3
209.15364	6.4
217.05020	12.3
217.12328	8.6
221.15335	11.9
233.15350	7.4
241.12093	4.4
241.15858	5.2
286.19250	25.6
299.19934	6.1
329.13647	5.4
340.42813	5.1
366.47339	4.9
367.22711	12.4
385.16470	9.0
385.23663	100.0
386.24072	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	385.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.2
55.01875	6.0
55.05510	13.5
56.15980	1.9
57.03171	2.3
57.03448	2.3
57.07077	6.0
59.05002	3.0
62.42160	1.8
65.03940	3.0
67.05505	25.6
69.01606	13.8
69.03425	7.4
69.07073	11.9
71.04994	3.5
71.08638	10.2
77.42059	2.1
79.05495	22.0
81.07058	28.4
82.00756	2.0
83.04997	4.8
83.08626	6.4
85.06556	11.3
87.04460	2.6
91.05492	20.5
91.76221	2.2
93.07047	24.5
95.04979	13.3
95.08610	24.0
96.05750	4.2
97.02894	14.3
97.06567	10.9
99.08104	9.2
105.07038	16.4
107.04980	3.0
107.08601	12.0
109.06521	22.3
109.10168	9.2
111.04453	17.7
113.05981	3.7
117.07021	3.7
119.08571	11.7
121.06495	16.9
121.10140	14.5
123.04437	13.3
123.08061	10.6
123.11720	4.2
124.05231	3.9
125.05990	4.0
129.07024	5.4
131.08554	20.4
133.10150	5.9
135.08084	6.5
137.05971	5.8
137.09621	6.3
143.08543	2.4
145.10107	5.6
147.08014	3.2
149.09615	11.7
151.11197	7.8
157.10112	3.2
159.11745	3.2
161.13292	4.9
163.11209	7.3
165.12714	20.3
167.10675	3.6
171.11749	2.8
173.09711	2.0
177.09123	2.3
181.12231	100.0
182.12595	4.9
185.13283	3.1
189.12785	3.0
191.14330	3.8
193.12192	2.6
207.13774	3.2
213.12816	2.7
215.14285	3.2
251.16393	2.9
263.16422	2.0
273.86475	2.2
277.21585	4.0
277.39102	2.3
287.20242	2.5
289.21677	14.5
293.21106	6.0
295.19022	2.5
305.21103	16.7
306.21933	2.7
329.13721	2.3
351.25262	55.1
352.25726	4.9
385.23584	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	386.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	2.3
55.01867	2.4
57.03444	33.4
61.02927	11.1
62.79206	1.8
68.66724	2.0
69.03085	2.8
69.03430	30.2
71.01347	4.7
71.04975	2.2
71.14490	2.9
73.02920	63.7
74.42419	2.0
81.03426	9.0
85.02905	100.0
87.04491	2.8
91.03948	7.0
95.04949	8.8
97.02897	50.5
99.04457	6.2
99.57671	2.0
105.07056	2.2
107.05006	2.0
109.02882	12.9
109.27168	1.8
110.03735	1.8
114.89909	1.9
115.03936	29.1
127.03918	32.9
133.04961	8.5
141.29970	1.8
141.33430	1.7
145.04961	50.9
147.04369	4.1
163.06006	30.4
207.09962	3.0
207.13802	3.5
224.12711	2.0
225.07368	7.5
225.10989	29.0
237.13318	3.6
241.07115	4.6
283.45651	1.9
325.16171	5.7
341.15906	2.7
343.13599	6.2
386.14996	12.7
387.16382	90.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	1.8
55.01875	2.6
55.05508	3.3
57.03441	14.8
58.06604	2.8
59.05003	1.9
61.02920	7.6
67.05523	3.0
69.03429	31.3
69.03777	2.6
69.07054	2.0
70.06593	2.1
71.04992	3.6
71.09656	1.7
72.08162	1.7
73.02913	18.3
79.05484	2.7
80.05061	1.8
81.03419	9.3
81.07067	3.1
83.04985	6.8
84.04477	1.8
84.08144	1.7
85.02905	57.3
87.00877	1.9
87.04465	11.7
91.03947	4.5
91.05492	3.8
95.04958	10.5
95.08648	2.5
96.09853	1.5
97.02892	33.6
98.76564	1.6
99.04463	4.8
100.07642	4.0
100.11250	3.9
105.07030	2.0
107.08593	2.5
109.02905	5.8
110.66502	1.4
111.08096	2.1
115.03922	24.8
123.08076	2.3
125.79967	1.5
127.03916	18.3
133.04961	21.5
138.09187	1.7
145.04965	29.9
146.09468	1.5
147.04437	4.1
149.09547	1.4
150.07610	3.7
153.09105	5.0
163.06052	13.5
163.11330	1.9
197.06047	2.3
207.13832	3.1
224.09602	2.6
224.12756	2.1
225.07404	2.8
225.10898	9.2
225.14937	3.0
259.08057	2.9
301.12625	1.9
343.13666	6.0
354.20111	5.5
369.15207	2.0
386.14871	15.3
386.22562	9.4
387.12637	9.1
387.16379	100.0
387.24435	4.0
395.91241	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.201
Annotation	(6R,9R)-Roseoside
Peak:m/z	Relative Intensity
52.54097	17.5
52.84491	19.1
67.05508	21.0
69.03422	29.4
71.29770	24.2
81.03439	29.0
82.50845	17.2
85.02930	24.2
88.38573	18.1
92.71318	16.5
95.08581	93.6
119.08591	22.7
123.08042	50.4
127.04021	21.3
127.57133	18.5
139.53992	18.2
207.13795	100.0
306.67413	20.5
387.16199	79.2
387.24863	70.7
388.16882	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	387.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84682	2.7
57.03431	4.2
69.03432	8.8
70.16735	10.0
81.03410	11.3
81.07065	3.4
85.02903	7.5
86.09750	6.3
87.68880	3.4
93.07049	3.8
95.08570	4.6
97.02898	7.5
98.22778	4.2
107.08572	3.2
109.02869	16.4
110.05711	3.2
119.08591	7.6
123.08034	9.1
127.03932	9.9
137.09532	2.9
147.04417	4.3
163.11343	3.7
189.12663	3.5
196.65224	3.2
207.13817	24.3
225.10968	4.5
257.09430	3.4
258.20020	3.3
259.12988	3.3
387.16034	100.0
387.24033	17.1
388.16138	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	387.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
64.68737	10.3
69.03429	30.1
70.56776	21.5
81.03390	13.6
85.02908	18.2
94.33915	11.2
97.02917	18.1
97.06541	31.2
98.41224	10.3
105.06998	13.7
107.08575	37.7
107.92716	9.2
125.21171	10.2
131.08527	26.6
133.17242	10.4
133.50034	11.2
137.09657	11.5
189.12794	19.6
248.80301	12.2
387.16043	18.6
387.20111	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	387.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	15.3
55.01872	15.6
55.05511	13.0
57.03430	21.4
61.02923	9.3
63.10725	4.8
65.03958	5.3
67.05498	13.0
68.46980	4.2
69.03432	98.8
69.07058	6.4
70.01514	9.1
70.01884	7.9
71.01353	9.3
71.04998	17.5
73.02903	7.4
79.05503	14.8
80.05022	5.8
80.48354	4.1
81.03420	74.0
81.07069	8.1
83.01334	7.0
83.04977	9.0
84.04498	5.0
85.02909	91.4
86.09711	5.3
87.04404	6.6
91.05489	20.4
93.07062	10.8
95.04985	9.1
95.08607	78.7
95.09169	7.1
97.02892	73.1
97.06490	6.6
98.22732	6.9
99.00834	7.6
99.04468	29.3
101.02383	6.1
101.19524	4.8
103.19075	4.5
105.07005	24.3
107.08592	14.0
109.02884	28.0
109.10191	12.7
114.05525	5.1
114.95078	4.7
116.58333	4.7
119.04955	14.4
119.08598	48.9
121.10192	12.5
123.08081	21.7
124.07610	5.7
125.09570	5.1
127.03929	54.3
130.04990	8.8
133.06520	9.6
133.10164	22.7
135.11690	63.0
137.05995	5.3
137.09653	14.9
137.13264	8.3
145.04961	17.1
145.10173	7.0
147.04439	33.3
147.11687	40.6
149.09645	35.5
151.07559	19.3
158.08482	4.7
161.09581	6.4
161.13260	100.0
162.13609	9.8
163.11194	11.2
165.12706	6.9
168.46672	4.9
171.11766	8.8
174.10431	7.9
179.14244	7.0
182.04700	4.4
189.12733	70.7
192.06604	4.8
195.85219	4.8
197.06026	6.0
207.13812	65.3
209.15326	5.6
215.05440	7.6
225.14864	7.7
257.12854	6.5
258.13593	11.0
259.14401	10.3
325.09845	4.7
371.15976	13.8
382.96289	4.6
387.09076	42.6
387.15979	31.3
387.20551	50.1
387.24924	5.7
388.18768	37.6
408.57947	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	387.2011
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
53.03941	11.3
55.01860	8.1
55.36389	8.5
57.03447	20.1
62.48413	8.0
67.05505	14.0
69.03443	64.2
69.03755	12.0
69.80502	36.0
71.01340	10.9
71.04984	10.9
77.39010	7.5
78.72054	7.4
79.05489	10.9
80.05021	18.4
81.03426	51.2
81.07064	7.3
83.01392	8.3
85.02908	48.8
91.05497	10.3
97.00111	7.7
97.02894	55.6
97.06522	7.1
98.22688	10.8
99.04479	19.6
105.07037	15.1
107.08603	14.4
109.02876	23.7
109.06495	10.2
119.08601	14.2
121.10175	9.5
123.08065	21.6
127.03925	34.0
128.16344	7.8
133.10120	10.1
135.08112	10.4
145.04953	10.8
146.53378	8.8
147.11653	14.5
149.09659	12.7
151.07469	10.2
161.13254	7.4
163.11208	18.8
165.67274	9.2
185.18922	7.7
189.12813	11.2
207.13779	77.3
215.05511	7.2
225.14912	24.6
285.25659	7.7
387.09323	24.8
387.16156	12.7
387.20190	100.0
387.24908	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	388.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
70.48463	3.8
84.08129	2.4
98.97598	2.7
102.83969	1.6
190.87778	1.8
200.10106	1.7
388.10059	100.0
389.10294	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	388.124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	21.1
55.01877	14.6
57.03433	9.3
58.64574	2.8
60.09859	2.5
61.02929	9.7
65.03932	3.1
67.05510	6.3
68.99786	6.3
69.03433	52.5
70.03750	3.6
70.06593	4.0
71.01358	3.7
71.05000	12.1
71.06064	3.1
73.02908	16.3
79.05501	4.3
80.05013	16.9
81.03426	63.6
81.07069	3.2
83.01375	2.8
85.02908	100.0
87.00827	47.8
87.04476	3.4
87.54480	2.7
91.03973	4.3
91.05495	16.6
93.07066	3.2
95.04978	12.1
97.02898	75.8
98.06054	5.7
99.04451	29.5
105.01873	49.4
105.07020	4.0
107.04958	3.8
107.08610	5.1
108.04502	9.1
109.02892	40.6
111.04458	3.7
117.01885	6.2
119.04944	28.4
121.02894	5.2
123.04476	4.9
123.08044	2.6
126.05547	7.6
127.03923	89.9
129.01819	4.5
132.21024	2.9
133.25732	2.9
133.45546	2.8
136.12996	2.8
141.15573	2.6
145.04961	40.5
147.03159	3.5
147.04416	98.2
151.03920	5.4
159.02910	25.1
178.06270	2.7
189.66972	2.8
208.14204	3.8
210.11150	3.5
213.04070	4.4
227.08324	3.4
230.06488	3.3
231.05080	14.6
248.07634	3.7
255.07538	4.9
327.09494	3.5
343.09317	2.8
388.23471	6.6
389.09268	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	388.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.7
53.03939	3.3
53.30788	0.6
55.01867	2.6
55.05508	2.3
57.03432	2.1
61.02916	2.0
67.05503	2.8
68.99779	1.0
69.03435	12.0
70.03779	0.6
70.06588	0.7
71.04990	2.1
71.29770	0.7
73.02912	1.6
78.64994	0.6
79.05499	4.4
80.05006	0.6
81.03419	10.2
81.07070	1.6
81.50548	0.5
82.03779	0.7
82.07401	0.9
83.01384	0.5
83.04967	1.0
83.08625	0.8
84.08943	0.6
85.02911	29.3
86.03237	1.1
87.00833	10.3
91.03941	0.7
91.05482	2.8
92.05820	0.9
93.07034	1.6
95.04976	1.6
95.08602	0.7
97.02893	9.4
97.06541	0.9
99.00825	2.2
99.04466	4.8
100.01205	0.8
103.05475	2.6
105.01874	13.0
105.07035	100.0
106.02203	0.6
106.07365	4.7
107.04934	0.8
107.08599	1.2
108.04464	1.0
109.02878	8.5
109.06510	1.1
109.10146	1.0
110.03214	0.9
110.78756	0.6
111.04444	0.9
111.08085	0.7
115.03965	1.0
117.01840	0.6
117.06995	1.0
119.08599	2.7
120.08957	0.7
123.08106	1.0
126.05503	0.9
127.03918	20.4
128.04285	0.7
129.01840	1.6
129.07014	0.7
131.08569	2.2
133.10149	2.8
134.10451	2.0
135.08081	0.7
136.89882	0.6
137.13339	0.6
143.03391	1.5
143.08577	1.5
145.04958	11.5
145.10161	1.1
147.04413	1.5
147.08067	2.5
148.92349	0.6
151.07629	0.6
151.11223	1.0
157.10158	0.7
159.02866	4.2
159.08044	0.9
161.09648	1.0
163.11172	1.1
169.22766	0.6
171.08087	0.7
172.08363	0.6
173.13242	1.2
179.10664	0.9
180.11058	0.6
181.12267	1.0
183.13779	0.7
185.09624	0.8
189.03943	1.7
189.09097	1.5
190.09506	1.6
191.10669	0.8
191.14342	0.9
195.08168	0.6
196.05219	0.7
198.12123	0.7
206.22540	0.7
207.13831	1.2
208.14157	0.8
213.03993	0.9
213.09128	2.1
225.11266	0.9
226.11584	2.3
227.12750	1.7
230.06741	0.8
231.04953	5.0
231.10260	0.9
249.06105	1.5
327.14212	0.6
356.42227	0.6
377.40067	0.6
388.08539	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
53.08320	2.9
55.05506	4.2
61.02921	4.2
62.29434	2.6
67.05490	5.4
69.03428	11.7
69.07063	4.7
69.27554	14.1
71.04984	3.1
79.05493	7.0
81.03422	9.7
81.07059	9.2
83.04949	3.8
85.02908	24.5
87.04472	3.7
89.05484	4.4
89.06031	76.6
91.05473	11.9
93.07038	12.7
95.04964	13.5
95.08585	3.5
97.02895	8.1
97.06563	4.9
98.22640	3.3
99.04433	3.7
102.06767	2.5
105.07020	26.2
107.08588	42.7
109.02920	3.7
109.06528	7.5
109.10156	5.1
117.07024	2.8
119.08546	16.2
121.06484	2.8
121.10127	16.8
122.69969	2.6
123.08074	6.6
127.03894	5.3
128.31935	2.5
129.07025	2.9
131.08539	22.7
133.02846	4.3
133.08615	35.8
133.10120	100.0
134.10512	3.3
135.08061	8.8
135.11719	7.5
143.08414	2.5
145.10144	7.9
147.04440	6.9
147.11685	16.0
149.09732	3.1
149.13290	5.0
153.09029	4.7
158.10918	8.6
169.38649	3.1
171.08104	5.2
171.10193	4.8
171.11598	3.5
173.11829	2.1
173.13249	58.7
174.13565	3.3
175.14812	46.1
175.16222	4.1
177.11227	22.1
191.14317	35.3
193.04916	15.7
199.07591	3.9
207.13829	3.5
209.15404	7.6
217.23709	2.7
218.04880	3.2
226.18103	2.7
227.07025	4.7
227.16437	5.1
243.86957	3.3
327.19843	3.1
370.22086	4.8
371.22614	12.6
388.16681	23.5
388.24698	9.0
389.16422	5.9
389.26407	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	388.233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50209	3.7
53.03938	7.1
54.47923	3.3
55.05501	5.6
57.03434	6.6
67.05507	10.3
69.03434	27.4
69.07071	10.6
70.85532	6.6
71.04981	5.0
73.02910	3.7
77.66805	3.4
79.05485	14.4
80.05009	4.2
81.03424	42.1
81.07048	13.3
83.04977	9.6
84.04493	5.3
84.55724	4.0
85.02898	23.5
91.05484	21.8
92.31600	4.5
93.07041	14.1
95.04960	14.9
95.08624	14.0
97.02893	16.6
99.04417	4.1
105.07034	15.4
107.04992	8.9
107.08591	53.6
108.04523	4.1
109.02859	13.9
109.06550	7.6
115.05437	4.1
119.04964	19.0
119.08569	13.0
121.02904	5.1
121.06588	4.3
121.10135	21.0
123.04417	3.5
123.08063	9.2
123.52189	3.6
127.03920	10.1
128.06241	7.9
129.06996	8.1
130.04970	3.4
131.04916	4.1
131.08572	16.7
133.02840	7.7
133.10129	9.7
135.11693	15.8
137.06001	4.0
137.09660	5.2
140.07014	6.0
143.08557	9.7
145.06532	4.6
145.10121	11.1
147.04411	70.6
147.11639	6.3
149.13284	16.7
153.07011	11.1
157.06473	36.1
158.10928	3.7
163.14825	13.7
164.10728	7.1
165.07063	3.4
168.25087	3.6
169.06514	6.2
171.08089	18.7
173.05803	3.5
173.13258	21.2
178.08694	4.0
181.06532	15.7
182.08186	6.5
185.06001	77.1
187.07574	15.6
191.14317	13.5
193.04976	23.3
199.07568	47.1
227.07037	40.9
227.12540	7.8
245.08165	3.9
253.79790	4.0
255.00641	3.6
276.29105	3.4
291.08694	5.0
302.68814	3.6
345.15277	4.4
371.16693	6.1
371.25467	6.6
388.16232	11.6
389.12366	21.8
389.17709	100.0
389.26120	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	388.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.7
55.01868	3.9
55.05515	6.3
57.03441	3.0
57.07066	2.6
58.02994	2.0
65.03937	2.8
67.05504	7.0
69.03427	20.9
69.07076	4.7
69.83565	9.4
71.04992	5.4
72.27506	2.3
79.05504	6.5
80.05020	12.4
81.02985	3.9
81.03422	48.4
81.07078	6.4
83.04981	6.8
85.02910	12.5
87.04482	2.5
91.05486	26.9
93.07053	6.8
95.04971	14.0
95.08627	3.4
96.55892	2.3
97.02881	11.8
98.03218	2.9
98.06091	3.8
99.04457	9.9
103.05493	4.0
105.03397	2.9
105.07037	16.0
106.57791	2.1
107.04968	6.5
107.08609	8.7
109.02877	3.6
109.06558	2.3
111.04433	4.2
115.05453	5.1
117.07024	7.5
119.04955	29.2
119.08597	13.6
121.02890	5.7
121.10152	12.1
123.04434	5.4
127.03927	9.0
129.07001	5.8
131.04910	4.0
131.08563	16.9
133.02856	5.2
133.06516	2.5
133.10123	7.8
135.08014	4.5
143.04880	2.5
143.08586	7.9
144.09308	3.3
145.10141	9.3
147.04411	100.0
147.11696	11.6
149.13293	7.0
151.03938	16.3
152.06166	2.5
158.10916	10.9
158.93614	2.1
159.04398	3.9
164.10745	2.3
165.05484	2.7
171.04457	3.6
171.08073	4.3
173.13249	17.4
175.14864	7.5
177.05504	7.4
178.06230	5.7
181.06541	3.0
187.15930	2.4
189.05504	4.3
191.14307	81.7
191.16020	4.6
192.14673	5.9
195.06589	2.8
196.07460	4.2
197.05977	2.5
199.07513	7.3
201.05446	2.4
208.14148	2.9
210.11304	4.3
227.07030	10.1
291.08505	2.9
388.23459	6.0
389.12469	7.9
389.17395	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	388.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.7
59.05013	0.6
61.02910	0.6
67.05502	0.8
69.03436	1.4
70.66405	1.4
81.03419	2.4
81.07050	2.0
85.02886	2.0
87.04456	4.0
89.06031	100.0
90.06374	1.9
91.05460	1.4
93.07034	0.8
95.04965	0.9
95.08637	1.2
97.02898	1.3
105.03401	1.1
105.07041	0.7
107.04935	0.6
107.07067	2.1
107.08574	1.4
109.02891	1.1
109.06532	0.8
119.04936	0.9
119.08584	1.8
121.10103	0.8
123.08071	0.8
127.03934	1.0
131.07053	1.2
131.08549	1.1
133.08603	54.7
133.10199	1.6
134.08946	1.5
145.10161	1.0
147.04433	2.4
147.11617	1.0
152.78099	0.6
168.07767	0.6
171.08115	0.9
173.13257	1.2
175.14838	1.7
177.11224	20.8
181.06525	1.2
184.04047	0.6
191.14313	3.9
193.04976	3.5
195.12364	1.1
199.07605	1.8
208.14134	0.6
209.15411	1.7
218.04807	0.8
221.13904	2.1
226.11086	0.9
226.18092	0.7
227.07146	1.1
239.15076	1.0
265.16470	0.9
283.17505	1.8
327.20227	2.6
353.76682	0.7
361.21423	0.7
371.22769	16.4
388.09183	0.8
388.16589	4.1
388.25198	1.5
389.17004	1.6
389.26498	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	16.4
69.03440	12.4
69.07036	4.6
70.06590	18.8
71.28698	7.0
80.05012	10.4
81.03432	8.4
83.05038	4.9
84.04519	5.3
84.08137	10.8
85.02920	13.7
86.09711	5.1
97.02911	4.9
98.97600	30.3
103.32603	4.6
116.98644	13.8
119.01904	10.7
130.05006	4.9
130.09785	21.1
133.03571	5.7
139.00552	4.2
140.10732	4.3
143.01961	6.2
147.04437	7.8
148.11208	8.0
155.01996	4.5
158.99670	5.5
159.03288	5.7
161.03009	6.7
173.01263	5.1
177.00761	7.9
191.02333	6.9
192.10223	5.9
197.06599	5.7
201.04491	6.9
203.03983	5.5
209.09247	8.2
209.12865	10.9
219.01859	10.0
221.05095	7.5
227.07356	5.1
227.10289	14.3
227.13869	21.9
232.01701	4.9
237.02911	12.1
243.05397	9.1
284.83337	5.1
287.09799	8.6
303.07346	9.2
305.10641	7.7
321.08759	8.3
345.08975	6.9
371.18039	5.3
389.08118	100.0
389.19232	26.9
390.08640	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	389.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	6.2
59.99274	1.9
61.44872	1.6
69.03428	7.3
69.57746	4.9
69.58153	8.0
70.10871	2.1
72.08134	2.8
81.03404	6.8
84.08117	2.1
84.96037	4.2
85.02895	6.3
86.09699	3.3
97.02899	4.4
98.97581	26.2
107.04871	2.1
110.97581	6.0
112.44466	1.9
116.98613	10.7
128.98584	4.4
131.00203	4.0
134.99652	2.5
146.99715	4.4
147.04416	2.7
157.01704	2.6
157.06427	2.4
158.99684	8.2
159.03290	2.6
171.08133	3.8
173.01184	3.4
177.00742	6.9
178.10974	2.0
179.11786	7.5
181.09709	16.5
195.11252	6.9
196.12025	4.7
199.07478	4.4
201.04359	3.9
209.08440	1.9
209.12918	3.5
219.01712	12.3
219.05379	2.8
227.13919	47.7
233.66226	1.9
237.02742	16.4
285.89319	2.1
303.07541	10.3
309.08603	2.9
317.05530	8.3
321.08505	20.4
345.08942	8.9
389.08411	54.6
389.13818	19.6
389.18549	100.0
390.08820	3.3
390.18872	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	389.0847
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	7.7
59.64448	1.8
62.69348	2.2
69.03428	3.7
69.24792	12.3
77.24788	2.1
81.03426	4.7
84.96043	3.2
85.02929	3.0
86.09713	3.4
88.39254	2.2
91.05454	1.9
96.79202	1.7
97.02880	3.4
98.97573	19.6
110.97555	3.4
116.98633	9.3
121.65379	2.2
122.52176	1.8
124.41042	2.0
128.98642	3.4
131.00179	3.9
134.42836	1.8
143.00107	2.9
147.04361	2.4
147.58969	1.9
158.99683	7.6
159.03247	3.5
171.08121	4.0
173.01262	2.0
177.00743	9.6
181.06342	2.0
181.09906	2.1
185.06015	4.4
199.07492	4.5
201.04352	2.3
202.78471	2.2
219.01797	12.4
227.07104	2.8
227.13953	4.9
233.03394	2.2
237.02800	12.0
303.07416	22.4
321.08496	22.9
345.08975	7.5
376.78271	2.1
386.95798	2.3
389.08438	55.7
389.17923	100.0
390.09079	3.3
390.18149	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	389.123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.1
55.01857	1.9
55.05495	1.4
57.03430	1.9
57.07063	0.8
65.03927	2.0
67.05507	5.1
69.03427	13.7
69.07067	0.6
70.03742	0.5
70.06591	0.5
71.01322	0.8
71.04998	4.3
71.29887	0.6
73.02899	0.6
79.05470	1.6
80.05009	0.7
81.03417	38.7
81.07040	1.2
82.03750	0.7
83.04993	6.3
84.04498	0.9
84.08128	1.2
85.02903	4.3
91.05482	14.5
93.07040	0.9
95.04968	12.2
95.08587	0.9
97.02886	7.6
97.06512	0.8
99.04448	7.1
103.05458	0.8
103.81868	0.5
105.03341	1.0
105.07043	1.9
107.04939	3.8
107.08615	1.0
107.57724	0.5
109.02877	3.9
111.04443	4.1
113.06007	0.6
115.05467	1.1
117.06995	0.6
119.04943	27.4
119.08571	1.0
120.05244	0.9
121.02864	5.6
121.10165	0.8
123.04427	4.5
123.08064	0.6
127.03915	7.0
128.06218	2.3
129.07051	0.7
131.04924	1.7
132.08385	0.8
133.02841	4.2
133.06459	0.6
135.04439	0.6
137.06029	0.6
141.05464	3.3
141.06955	0.8
143.08575	1.9
145.05023	0.6
147.04404	100.0
148.04738	3.9
149.05991	1.2
151.03891	2.8
152.06261	1.1
153.07039	4.2
157.06453	1.4
159.04427	1.9
161.05927	0.6
163.03870	0.5
165.05502	2.2
165.06906	0.7
169.06480	1.5
170.07240	0.6
171.08000	4.1
177.05504	2.7
181.06454	4.2
184.05154	0.6
185.06035	0.9
189.05516	1.2
193.04977	3.7
197.06035	1.0
199.07536	12.1
209.15402	1.0
213.10291	0.8
225.05556	0.9
227.07008	10.8
245.08163	1.0
255.06923	0.6
291.08649	2.6
371.11847	1.3
389.12570	7.3
389.17572	2.4
389.21472	1.5
390.12277	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
56.96573	1.7
59.10465	0.8
61.63401	0.7
67.05502	1.0
68.67390	0.8
69.03427	3.0
70.55373	1.9
79.05489	1.2
81.03426	7.6
81.07063	1.3
85.02915	2.7
90.82321	0.7
91.05493	2.7
93.07038	0.9
95.04980	3.2
95.08620	1.2
95.89074	0.7
97.02876	2.0
98.97591	2.1
99.04439	1.3
105.07054	1.5
107.04976	1.1
107.08601	2.0
109.02928	0.9
109.06541	1.3
113.28734	0.7
115.07536	1.5
117.87714	0.8
119.04952	4.6
119.08629	0.7
121.02880	0.9
121.10142	2.0
123.04413	0.8
123.08065	2.1
127.00712	1.9
127.03904	0.9
128.06229	1.8
129.06989	2.0
131.04848	0.7
133.02876	1.2
143.08534	0.9
145.01762	2.5
147.04414	14.2
147.08070	2.1
147.11737	0.8
148.04803	1.1
153.07039	1.7
153.09103	1.0
157.06493	7.3
163.02806	2.0
165.05504	1.2
165.09167	1.3
171.08115	2.4
173.13187	0.8
177.05484	1.1
181.06490	1.9
185.05977	9.4
186.06442	0.9
187.07562	1.7
191.14326	0.8
193.04993	2.4
199.07587	4.8
203.07181	0.9
209.11526	2.5
209.15295	1.7
227.07036	4.8
227.09189	1.2
227.12585	1.4
245.08179	0.8
269.10614	6.7
337.53873	0.8
371.25650	0.8
389.18073	100.0
389.26355	8.0
390.18329	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	389.157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.6
55.01867	9.6
55.05515	5.0
57.03426	4.9
60.67188	2.8
67.05494	10.9
69.03153	2.2
69.03436	25.0
69.68675	2.8
71.04987	5.7
79.05470	11.7
81.03415	61.3
81.07045	16.4
83.04977	6.7
84.33712	2.6
85.02915	13.1
85.06561	3.3
91.05476	14.8
93.07049	5.1
95.04946	6.8
95.08592	9.4
97.02895	24.8
98.97569	2.6
99.04482	6.8
101.02373	3.5
103.05481	4.5
105.07017	10.5
107.04930	8.4
107.08557	7.1
109.02867	8.2
109.06512	4.3
119.04939	18.5
119.08578	3.2
121.02866	6.3
121.06505	3.5
121.10115	3.9
123.04401	3.6
123.08056	13.2
125.09615	3.0
127.03894	7.6
128.06187	12.2
129.06964	11.5
130.04921	3.8
131.04915	8.8
131.08534	3.1
133.02826	12.4
133.06474	3.0
135.04411	3.6
143.08594	6.7
144.05698	3.4
147.04405	77.4
147.08015	9.4
148.04739	5.3
149.05980	4.6
151.03967	3.4
151.07567	5.7
152.06171	4.7
153.06946	12.2
157.06482	49.3
159.04358	3.2
165.05394	3.9
165.09091	7.8
169.06465	5.6
171.08067	34.3
173.05881	4.9
177.05418	5.3
178.02603	4.5
181.06451	20.5
183.08167	4.7
185.04370	4.6
185.05959	62.0
186.06435	2.8
187.06082	3.1
187.07469	18.7
193.04990	40.3
197.05896	5.8
199.07547	59.8
200.07867	3.5
203.07159	3.5
215.06795	3.0
225.21333	2.3
227.07034	44.0
227.12589	13.3
245.08174	5.0
258.60217	3.1
371.11334	4.6
371.16611	7.3
371.25262	3.5
389.16187	100.0
389.26303	95.6
390.16052	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	389.1779
Annotation	Asn Gln Gln
Peak:m/z	Relative Intensity
53.03950	0.5
65.75168	0.3
69.03424	0.7
81.03419	1.9
85.02850	0.3
91.05473	0.5
97.02910	0.6
99.04476	0.3
109.02911	0.3
119.04951	1.2
123.04485	0.5
128.06267	0.3
145.01729	0.4
147.04382	3.3
150.56514	0.3
153.07091	0.3
157.06461	1.9
161.14301	0.4
171.08075	0.7
180.86206	0.3
181.06506	1.0
185.05945	3.0
187.07600	0.9
199.07585	1.3
209.11563	0.5
223.15155	0.3
227.07135	1.6
227.12560	1.3
389.17834	100.0
390.18188	7.6
407.51511	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2167
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
53.03941	8.6
55.05498	9.8
55.75771	6.4
57.03436	9.1
67.05500	18.0
69.03413	34.1
69.07056	10.4
71.01333	8.4
71.04992	11.9
71.30006	9.3
74.54903	7.6
79.05486	15.9
81.03413	40.9
81.07053	21.5
83.04987	16.1
83.08571	7.0
85.02912	44.2
89.06029	33.7
90.06336	11.8
91.05481	22.8
93.07028	17.6
95.04958	50.0
95.08610	12.9
96.04492	12.2
97.02892	25.3
97.06524	14.3
98.06028	20.5
99.04427	15.8
105.07043	21.2
107.08566	32.5
108.08896	7.1
109.02853	10.6
109.06508	29.2
109.10134	20.8
119.04892	13.1
119.08599	13.0
120.08879	10.4
121.06496	7.3
121.10073	15.1
123.08082	11.1
126.05495	31.5
127.03921	8.5
129.06934	6.5
133.02832	27.5
133.08569	25.0
133.10130	56.2
134.08936	15.2
134.10480	23.0
137.05978	23.1
145.06442	10.9
147.04419	47.7
147.11687	19.9
153.09100	18.0
154.04889	9.7
164.10670	19.1
165.12872	9.0
171.10144	23.4
173.13252	17.8
174.13618	7.9
176.15222	10.1
178.02611	16.6
178.42819	7.0
182.11786	47.6
191.14299	17.4
193.04933	100.0
194.05214	8.0
196.04239	8.1
199.07617	15.2
209.15361	37.0
210.11191	45.7
227.07016	15.5
227.16422	21.9
228.12286	30.1
314.07431	8.7
344.17328	10.5
389.16888	39.0
389.26419	51.7
390.17624	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	389.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.2
55.01885	1.3
55.05522	1.2
56.96573	0.8
57.03440	2.0
65.03935	0.7
67.05522	1.3
69.03429	6.3
69.07086	1.3
69.92569	2.8
71.01337	0.7
71.04989	1.2
73.39135	0.5
79.05513	2.2
81.03421	12.2
81.03857	1.0
81.07052	2.9
81.77432	0.6
83.04997	1.4
83.08609	0.7
84.08167	0.6
85.02909	4.7
91.05489	4.5
93.07027	3.1
95.04967	7.0
95.08638	2.1
97.02875	3.2
97.06549	2.1
98.22753	0.7
99.04493	1.9
103.05530	1.3
105.07013	2.9
107.04997	2.4
107.08624	2.9
109.02896	1.7
109.06551	3.8
109.10170	1.4
111.04459	0.7
115.05457	0.7
115.07607	2.1
119.04954	5.9
119.08640	2.0
121.02913	2.1
121.06556	1.0
121.10157	4.7
123.04476	2.1
123.08060	3.1
127.03954	2.3
127.16097	0.6
128.06200	2.9
129.06999	3.6
131.04958	1.7
131.08585	1.1
133.02917	1.8
133.06506	1.2
133.10194	2.9
141.07036	0.8
141.09068	0.7
143.08516	0.8
145.01762	1.2
145.06448	1.1
147.04410	22.2
147.08110	2.6
147.11734	1.5
148.04784	0.8
151.07622	0.9
152.06241	0.7
153.07037	2.1
153.09131	2.8
157.06491	12.9
157.07698	0.8
158.07005	1.1
159.11713	0.7
163.02783	1.2
163.14888	0.8
165.05661	0.6
165.09180	2.1
169.06511	1.2
171.08057	4.6
173.09709	0.6
173.13293	1.1
174.13638	1.0
177.05527	1.1
178.02716	0.6
181.06454	4.8
183.08209	0.9
184.05257	0.7
185.05972	20.6
186.06445	1.1
187.07524	4.9
191.14404	2.5
193.05023	1.8
197.06046	1.2
198.06792	1.0
199.07565	9.9
200.08020	0.7
203.07121	1.5
209.11548	1.6
209.15317	4.2
215.07149	1.0
227.07039	9.3
227.08997	0.8
227.12628	2.7
227.16483	2.3
241.08797	0.9
245.08226	1.6
245.10483	0.8
269.10727	1.4
291.08829	0.6
305.33569	0.6
334.13010	0.6
345.15521	1.3
347.11319	1.8
389.17935	100.0
389.26587	11.2
390.18317	7.6
390.26669	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
53.66685	0.4
55.01869	0.8
55.05518	2.5
56.32096	0.4
57.03440	2.2
60.14814	0.4
61.42574	0.4
67.05507	6.1
69.03434	3.0
69.04131	0.4
69.07073	2.6
70.06578	0.5
71.04977	0.6
71.29139	0.6
73.02926	0.6
79.05494	9.1
80.04996	0.8
81.03418	6.5
81.06584	1.0
81.07060	16.6
82.06550	0.6
83.04960	2.1
83.08600	0.9
84.08128	0.6
85.02891	2.2
85.06544	1.7
86.09708	1.9
91.05513	2.9
93.07046	3.2
95.04973	1.5
95.08609	11.3
96.04504	4.1
97.02906	3.6
97.06549	0.9
97.10159	1.7
99.04445	1.2
99.08102	0.7
103.05473	0.8
105.07030	4.6
107.04948	1.3
107.08592	7.4
109.02868	0.6
109.06539	2.2
109.10171	0.7
111.04469	0.4
114.05523	0.7
117.07010	1.0
119.04927	1.9
119.08580	1.6
121.06477	0.7
121.10137	2.1
123.04391	0.6
123.07182	0.8
123.08073	15.2
123.11688	0.5
124.08342	0.5
124.11208	0.8
125.09643	2.8
126.05556	1.0
127.03928	0.9
127.07537	0.6
128.06203	1.3
129.07013	0.8
131.04890	0.7
131.08556	2.3
133.02864	1.3
133.06488	1.4
133.10112	0.9
135.08044	0.8
137.05969	1.6
139.11177	0.8
141.09100	1.6
143.08566	1.3
143.10661	0.9
145.04971	0.5
145.10104	1.0
147.04402	6.0
147.08083	0.7
149.06030	0.6
149.09648	1.7
151.07544	6.3
152.10681	0.7
153.06999	1.1
157.06497	3.9
157.10117	0.8
159.11655	0.7
160.13318	0.6
161.09642	0.8
164.10666	2.9
167.10603	0.8
169.08667	0.8
171.08035	3.5
171.11678	0.9
177.05530	0.7
178.02582	0.5
179.10680	0.5
181.06422	2.7
182.11783	6.4
183.08066	0.5
185.05994	5.4
187.07628	0.8
187.09660	1.1
193.04915	3.6
197.05972	0.8
199.07550	5.2
210.11234	4.3
227.07094	3.4
227.12671	0.8
227.49924	0.4
228.12352	3.1
245.08131	0.6
255.17441	0.7
259.07993	0.5
273.18524	1.5
291.19452	0.9
306.91940	0.6
309.20691	1.3
311.23419	0.7
322.57565	0.5
327.22083	0.7
329.24377	0.8
344.16919	0.6
345.15225	1.9
371.11090	0.5
371.16678	1.2
371.25369	2.8
389.13586	4.1
389.17841	14.0
389.26443	100.0
390.18036	1.6
390.26721	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	389.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34894	0.8
55.05517	1.9
57.07077	6.3
62.21707	0.7
65.03941	1.2
65.98795	0.8
69.07071	10.8
71.08635	9.6
75.75818	0.8
81.07050	1.2
95.08582	1.3
98.22562	2.0
99.00394	0.9
107.08611	1.3
107.25492	1.1
121.02867	4.1
121.10148	0.8
139.45285	0.8
149.02345	100.0
150.02681	4.0
167.03403	10.0
217.56511	0.9
225.06946	0.8
361.14108	0.9
375.16055	1.0
389.13361	1.7
389.18079	5.0
389.31238	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
61.02944	1.2
63.62141	1.1
65.93350	1.0
67.94291	1.0
69.03432	4.5
71.14501	1.5
79.05500	1.8
81.03413	3.9
81.07072	1.6
83.04986	1.3
85.02904	13.3
87.56051	0.9
91.05474	25.4
92.05790	1.1
95.04980	1.1
97.02887	4.2
103.05455	1.8
105.07039	4.2
109.02882	1.3
110.56023	0.9
119.04933	2.2
119.08589	7.6
121.06499	10.8
123.08142	1.5
127.03913	2.5
128.06255	1.3
129.07008	29.6
130.07361	1.8
131.08565	5.2
145.04944	1.5
147.04393	3.5
147.08040	100.0
148.04713	2.3
148.08412	3.5
149.02287	1.0
157.06516	1.7
158.06827	1.8
165.09111	55.2
166.09480	2.5
185.05873	2.4
186.06300	1.9
193.04999	1.2
199.07516	1.3
200.07913	1.8
211.09680	6.9
228.07404	1.4
282.94510	0.9
389.26843	1.4
390.11945	3.8
390.18091	7.4
390.26675	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	390.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81952	1.9
53.85693	2.4
55.29605	1.9
57.03429	3.1
69.03423	6.3
71.14525	3.2
73.02914	2.3
79.05484	4.0
81.03417	7.3
84.04516	2.6
85.02905	11.4
86.77888	2.0
91.03987	3.2
91.05487	24.5
97.02887	7.5
103.05492	2.9
105.07031	4.6
109.02859	2.7
114.44891	1.9
119.04961	3.1
119.08586	7.8
121.06487	8.3
127.03932	2.6
128.08795	1.9
129.07022	31.2
130.07382	2.1
131.08577	5.3
143.52818	2.4
147.04410	7.4
147.08047	100.0
147.67143	2.3
148.04790	4.4
148.08391	3.8
149.02298	2.9
154.22318	2.1
157.06458	2.0
158.06783	3.1
165.09109	58.2
172.08369	3.5
175.07494	2.1
185.05980	4.1
186.06300	8.9
193.04970	6.5
199.07568	2.4
200.07819	3.4
211.09695	6.9
228.07384	2.2
229.08672	2.2
235.25133	2.0
273.56735	2.1
390.12216	4.5
390.17871	23.5
390.26743	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	390.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	28.4
64.37720	9.7
67.05495	19.0
69.03421	18.6
69.07047	12.0
70.89143	19.4
79.05474	37.9
80.97968	11.0
81.03402	16.9
81.07064	12.6
83.04959	13.7
84.66703	9.2
85.02898	16.0
85.28048	8.2
88.27934	9.9
91.05471	84.5
93.07040	45.5
93.73730	9.5
95.04978	13.0
97.02897	13.9
97.06526	35.9
100.11234	17.1
105.07040	70.8
107.04951	11.1
107.08568	14.2
110.44332	9.5
117.06999	10.4
119.08577	78.1
129.06985	23.3
131.04909	22.9
131.08571	41.0
133.10136	100.0
142.07741	12.4
147.11693	53.5
149.02393	10.1
157.10080	18.6
175.11183	84.3
193.12215	64.3
214.51105	9.4
247.18016	11.8
283.77231	12.3
346.16409	29.6
376.12915	17.6
390.14609	37.8
391.15280	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03969	4.9
55.05487	6.1
58.06599	25.7
59.07370	13.2
67.05503	21.7
67.61021	4.8
67.99191	4.7
69.03420	15.5
69.07067	6.9
69.15259	10.5
69.15670	23.7
72.08158	10.9
75.04486	6.8
76.05222	4.4
79.05509	8.1
81.03412	21.0
81.07055	11.5
82.03737	7.6
83.05014	6.7
85.02897	20.8
91.05498	19.1
93.07032	5.6
95.04991	5.8
95.08588	6.8
97.02918	8.1
97.06525	8.4
98.23374	10.0
104.07130	11.2
105.07012	5.5
107.08546	7.4
109.02895	8.8
109.10138	14.0
116.04987	10.6
118.06556	12.8
119.04964	6.4
119.08550	6.3
127.03970	8.0
130.05003	6.2
131.04927	6.1
144.10178	8.1
147.04405	29.1
148.04729	14.8
162.11224	6.2
172.11295	9.0
193.83144	5.6
200.07770	6.8
206.26912	6.4
229.05009	10.9
236.14926	100.0
292.12860	8.7
336.25269	7.7
346.16827	15.9
372.23703	21.2
390.14429	9.7
390.19595	5.8
390.24777	84.2
391.24908	7.5
395.01666	5.8
406.52405	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	390.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03464	22.4
71.05563	30.0
76.92250	19.8
97.06534	52.3
98.94189	20.7
105.07050	61.1
107.08584	29.0
109.68790	21.8
119.08582	100.0
121.93647	22.7
124.81431	22.4
133.10158	28.2
149.02455	30.9
156.06310	22.6
175.14857	48.0
207.79594	28.7
272.35666	23.7
301.90164	29.7
346.16461	41.0
351.36227	25.0
390.14056	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	8.1
58.06596	2.4
59.30919	0.4
64.31695	0.3
64.34756	0.4
69.07055	0.4
69.28122	1.7
69.28522	0.9
70.06591	20.4
71.08633	3.5
72.08159	0.5
84.08129	0.6
85.10139	1.6
85.99539	0.4
88.07631	23.2
89.05979	0.8
92.37225	0.4
93.39099	0.4
98.22648	0.7
102.09177	18.4
114.09163	0.5
132.10248	0.5
149.02345	0.6
199.00594	0.4
240.26778	1.5
252.87442	0.4
257.57681	0.4
284.29468	55.3
285.29749	4.1
349.21832	0.4
372.34772	4.3
390.35754	100.0
391.24814	1.6
391.36093	9.6
391.41141	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88595	0.4
56.96567	20.3
69.03423	1.0
69.67947	2.5
71.95267	1.6
73.67307	0.4
84.96036	7.5
85.02898	0.9
85.66643	0.5
93.26678	0.5
97.02878	0.7
98.97586	100.0
99.97932	1.0
102.97012	0.6
106.98080	0.6
110.97575	14.5
110.98337	1.0
111.87148	0.4
112.99168	1.6
116.98626	27.8
124.99116	6.3
126.97083	0.6
128.98607	10.8
131.00160	1.4
132.10252	0.5
134.99669	5.6
140.98576	1.3
143.00179	8.2
144.98097	1.9
146.99628	2.7
152.05696	0.6
152.98590	4.6
155.00150	0.8
156.98094	1.0
157.01736	1.0
158.99655	32.6
161.01227	4.3
161.02490	0.6
161.02911	0.6
162.99139	1.4
164.54561	0.5
167.00206	1.8
168.98160	0.6
170.99661	11.9
174.99191	1.0
177.00711	23.1
179.02226	0.7
180.98120	0.6
182.99738	1.1
185.01195	7.3
186.99100	1.5
187.02808	0.7
189.00693	6.1
195.01720	1.2
197.01198	3.2
199.02818	0.9
200.02431	0.9
201.00714	3.0
203.02292	3.9
205.00192	1.0
207.01729	0.8
209.01236	1.4
210.99164	0.8
211.02795	0.6
213.00714	7.5
215.02277	2.9
219.01747	13.9
220.01971	0.6
221.01268	0.8
221.05092	0.5
227.02295	4.3
229.00204	3.1
231.01743	3.6
235.01083	0.5
237.02824	14.2
239.02306	2.7
241.00122	0.6
243.01723	0.6
245.03355	1.4
247.01237	1.4
257.03238	1.6
273.02823	0.6
279.03741	0.6
287.04361	1.6
305.05496	1.7
319.06931	0.5
331.03397	3.0
349.04443	12.0
350.05042	0.6
367.05435	4.2
391.05191	2.2
391.10052	0.6
395.87863	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1938
Annotation	Ser Glu Arg
Peak:m/z	Relative Intensity
52.04073	0.3
53.03932	0.3
55.01862	0.3
55.05496	0.4
56.05022	0.4
57.03431	0.4
66.66211	0.3
66.93268	0.3
67.05501	0.5
69.03422	1.1
69.07050	0.3
70.06579	0.6
71.28226	0.4
79.05489	0.9
81.03407	1.3
81.07053	0.7
83.04983	0.5
84.04500	1.9
85.02884	1.0
87.99126	0.3
88.21982	0.3
89.03916	0.4
91.05473	0.6
93.11583	0.3
95.05004	0.4
96.04486	0.7
97.06503	0.3
99.04462	0.8
105.06995	0.5
107.04936	0.6
107.08609	0.4
109.02878	0.3
109.06478	0.4
110.59538	0.2
114.05576	0.3
117.03357	0.3
117.07048	0.4
119.04945	0.4
119.08565	0.4
121.02877	0.4
121.06481	0.3
121.10156	0.6
122.06001	0.3
124.07653	0.3
125.05897	0.4
127.03951	0.3
130.04984	1.3
131.04976	0.3
135.04442	0.6
137.05969	4.0
145.02846	0.9
145.06468	0.4
147.04391	0.6
149.02333	1.9
149.05997	0.4
150.05463	0.4
151.07500	0.3
152.07098	0.3
154.02069	0.3
161.05988	0.9
163.03920	0.6
165.07013	0.4
167.10666	0.4
174.88739	0.3
184.13350	0.4
187.03966	0.4
193.04907	0.3
193.06635	0.3
195.03064	0.3
195.06560	1.2
199.80675	0.3
201.05521	0.3
201.09090	0.4
202.14375	1.6
209.11778	0.6
213.09244	0.3
220.09695	0.4
221.06021	0.5
229.04938	0.6
229.14107	7.4
230.14412	0.6
244.15211	0.4
253.08597	0.9
261.08826	0.5
266.13800	0.7
273.11362	0.7
285.11221	0.8
292.15253	0.5
295.05664	0.4
311.09082	0.5
341.10025	0.4
391.08945	2.7
391.19360	100.0
392.08878	0.4
392.19717	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	391.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87638	2.1
55.01883	3.3
57.42949	2.2
65.03926	3.1
67.05492	3.7
69.07057	3.7
79.05517	4.0
80.05009	4.3
83.04987	5.9
91.05483	4.4
92.05013	4.4
93.05788	5.0
94.06561	3.9
95.04945	2.7
97.06503	4.8
106.91077	2.4
109.10139	3.4
110.06036	7.7
116.65912	2.5
138.05502	69.0
142.15031	2.1
149.02338	6.1
165.67184	2.1
166.12299	2.8
194.11769	100.0
195.12033	4.1
230.11749	2.8
259.09460	2.2
280.12250	2.1
287.17999	2.6
327.76071	2.5
391.12381	4.2
391.17261	69.0
392.17310	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	391.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	7.3
63.65091	5.0
67.05531	7.5
69.07076	8.9
70.50832	4.6
70.82545	9.8
80.05001	21.9
81.03410	9.8
81.07040	8.4
84.27097	5.9
85.02926	6.9
91.05460	9.7
91.55605	4.8
93.20039	5.0
97.06521	20.7
105.07020	6.7
107.08607	6.6
111.04456	4.7
117.06985	5.9
119.08610	5.3
133.06599	5.6
137.05925	5.9
138.05486	15.7
147.04381	9.1
149.02347	20.3
149.09673	6.3
194.11757	100.0
195.11977	10.5
214.29776	5.2
221.90466	5.0
229.05115	10.2
229.14259	6.8
391.14401	10.4
391.19281	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01387	1.9
55.01871	9.0
55.05272	2.5
55.05514	27.8
57.03436	10.0
57.07082	11.0
59.22639	1.3
65.03948	1.5
67.05504	22.0
69.05036	14.2
69.07071	34.6
70.07380	1.6
71.08638	7.5
79.05498	20.8
81.07062	31.5
83.04966	1.4
83.08621	27.6
85.06549	2.0
87.64117	1.3
91.05499	9.5
93.07050	22.3
95.04988	10.8
95.08611	19.9
97.06538	11.9
97.10184	20.6
98.98470	88.1
105.07025	13.6
107.08601	14.8
109.06535	4.5
109.10152	9.6
111.08086	4.7
111.11727	6.1
116.99499	3.1
117.07020	2.1
119.08575	9.3
121.06528	2.5
121.10146	22.5
123.11736	7.9
125.13280	2.1
128.06226	2.9
129.06987	1.9
131.08580	4.6
133.10144	4.4
135.11691	14.1
137.13266	5.3
142.07773	2.7
143.08548	5.6
145.10146	8.1
147.11668	2.6
149.02327	5.9
149.13272	4.4
155.01044	100.0
155.08553	1.7
156.09338	4.1
157.10144	5.7
159.11703	5.1
161.09726	1.5
163.14801	2.9
167.08583	2.2
169.10167	5.3
170.10866	2.9
171.11697	4.5
173.13283	3.0
179.08607	2.6
181.10135	1.6
183.11722	6.3
183.80386	1.3
185.09663	1.7
185.13179	3.5
187.14862	2.6
193.10226	3.6
194.10872	2.1
195.11702	4.5
197.13251	3.3
206.10886	1.8
207.11720	3.0
208.12408	1.9
209.13258	5.7
211.14821	3.4
219.11731	2.3
219.21046	8.6
221.13194	2.2
223.14845	2.8
229.06046	1.8
237.22142	23.0
238.22472	2.4
245.13255	1.7
249.16222	2.3
261.16312	2.4
263.18018	1.8
264.18896	1.9
267.17163	1.8
273.16290	2.3
277.19244	2.7
280.91159	1.3
281.18747	1.7
282.19589	2.3
317.18567	1.4
373.25140	2.8
391.15195	2.5
391.19403	2.7
391.26419	13.2
392.26813	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50538	0.3
55.05508	0.4
67.05518	0.4
68.77959	0.3
69.07082	0.5
70.06603	0.6
71.08641	0.4
78.03438	0.4
79.05504	0.5
80.42720	0.4
81.07066	1.7
91.05474	0.9
93.07019	0.5
93.53366	0.3
95.04938	0.5
95.08633	0.4
98.22633	1.2
102.15043	0.4
105.07030	0.7
105.08321	0.3
107.08589	0.4
109.06524	0.8
115.48750	0.3
119.08585	0.7
121.10178	0.8
138.06168	0.4
143.08565	0.4
145.10132	0.6
149.02335	1.4
157.10147	0.6
166.38597	0.3
182.10989	0.3
214.08972	0.3
329.32556	0.5
391.24539	100.0
392.24918	9.3
392.30176	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
53.67635	0.6
55.05492	2.6
57.07057	1.9
59.04988	0.8
64.98145	0.7
65.03927	0.8
67.05476	3.1
69.03409	1.7
69.07049	1.7
69.61852	3.9
70.06568	0.8
71.04955	1.2
71.08616	1.1
79.05489	5.4
81.03385	0.7
81.07057	8.4
83.04964	0.8
83.08590	1.5
85.06513	0.8
91.05476	7.4
93.06563	0.8
93.07047	9.4
95.04452	0.7
95.04974	8.6
95.08614	3.8
97.06509	0.8
98.22687	1.4
103.05436	0.8
105.06398	1.1
105.07030	14.1
107.08601	4.6
109.06477	2.3
109.10126	2.4
115.05400	1.0
117.07033	4.2
119.08582	8.9
121.06474	3.2
121.10163	4.6
123.11674	1.1
128.06232	1.5
129.06956	3.1
130.07747	1.4
131.08572	4.2
133.10118	3.8
135.08055	1.5
135.11659	1.3
141.06944	2.1
142.07704	2.3
143.08524	6.1
144.09293	1.1
145.10117	7.9
147.08040	1.5
147.11684	2.9
149.02357	4.8
149.09552	1.6
153.06955	0.9
155.08504	2.7
156.09311	2.4
157.10129	6.7
158.10750	0.9
159.08000	2.1
159.11664	2.7
161.09589	1.8
165.06924	1.1
167.08603	1.6
167.10576	0.9
168.09302	1.1
169.10123	4.7
170.10881	1.0
171.11754	3.7
173.09674	0.9
173.13226	1.7
175.11151	1.3
179.08540	2.7
181.10098	3.4
182.10844	1.2
183.11667	4.2
185.09615	1.2
185.13153	2.3
187.10910	0.8
187.14787	1.1
189.12506	0.8
192.09306	1.4
193.10042	2.6
194.10770	2.0
195.11711	4.0
197.13171	2.9
199.11174	1.5
203.08742	0.7
206.10828	1.2
207.11594	3.1
208.12408	1.4
209.13261	3.6
210.13953	1.0
211.11148	1.1
211.14742	1.6
213.12700	1.1
218.10803	1.0
219.11549	1.9
221.09692	0.8
221.13152	2.5
223.11136	1.0
223.14755	1.8
225.12491	1.1
225.16173	0.8
227.14143	1.5
231.11592	1.7
232.12361	1.1
233.13158	1.3
234.13896	1.0
235.14693	2.8
237.16341	1.8
239.14482	0.8
243.11676	1.2
245.13139	1.0
247.14621	1.6
249.16318	1.9
251.14131	1.3
253.15726	0.9
261.16296	1.2
263.17798	0.9
269.18723	0.7
275.17801	0.8
282.19687	1.4
291.17349	0.9
293.18643	1.1
295.20462	1.0
307.20538	1.1
333.21625	0.8
335.20090	1.4
363.24701	1.5
373.25281	4.9
390.35605	1.0
391.24493	100.0
391.35480	2.3
392.24759	8.6
392.30832	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.1
55.05504	10.4
57.07077	5.9
59.04992	3.0
65.03924	3.1
67.05505	22.3
69.03413	3.9
69.07083	11.9
69.54166	13.5
69.82841	1.9
78.22030	2.3
79.05492	27.6
81.07053	36.0
83.04967	6.3
83.08621	4.1
84.23331	2.5
85.06540	4.8
91.05479	41.2
93.07040	42.9
95.04963	41.4
95.08606	19.1
97.06515	9.0
98.23392	2.4
98.49454	2.1
103.05450	3.6
105.07027	69.7
107.05004	2.5
107.08591	27.0
109.06493	14.8
109.10159	10.3
115.05453	7.2
117.07028	15.7
119.04915	3.2
119.08578	57.9
121.06485	11.7
121.10126	23.5
123.08085	5.4
123.11685	2.7
128.06213	15.8
129.06999	14.6
130.07764	8.7
131.08553	25.9
133.06503	4.5
133.10101	18.2
135.08025	7.9
135.11656	4.0
137.06052	2.5
141.06976	6.9
142.07762	21.5
143.08560	28.8
144.09317	5.0
145.06453	3.4
145.10129	42.0
146.10439	3.0
147.08038	10.1
147.11673	9.9
149.02310	9.2
149.09605	5.2
153.06958	4.6
154.07736	4.6
155.08545	18.8
156.09325	10.7
157.10136	38.5
158.10802	2.8
159.08064	8.4
159.11674	18.0
161.09622	6.9
161.13277	3.4
163.11122	2.8
165.07007	7.4
167.08545	11.2
167.10672	3.5
168.09348	7.7
169.10135	23.4
170.10855	5.7
171.07962	3.2
171.11702	17.3
172.08884	2.4
173.09613	7.1
173.13229	12.5
175.11147	4.8
178.07765	3.6
179.08626	14.8
180.09358	5.1
181.10098	19.5
182.10823	8.3
183.11691	16.1
185.09637	4.6
185.13237	7.5
187.11189	5.6
187.14781	3.2
191.08574	5.3
191.14250	3.1
192.09206	4.2
193.10187	11.4
194.10954	11.8
195.11685	14.3
196.12375	5.4
197.09593	4.5
197.13242	15.2
199.11188	8.2
199.14827	4.8
206.10918	7.2
207.11662	16.8
208.12329	5.9
209.09586	3.0
209.13242	20.5
210.13673	2.7
211.11237	5.8
211.14806	7.9
213.12785	6.2
215.08736	2.6
215.14354	5.8
217.10098	4.9
217.16095	2.5
218.10966	3.7
219.11671	8.3
220.12466	6.7
221.13223	13.6
222.13896	3.3
223.11209	5.5
223.14737	11.1
225.12714	4.4
227.14265	3.0
230.10976	3.9
231.11656	6.8
233.13202	10.9
233.15334	6.3
235.14777	12.2
236.15382	2.5
237.16362	5.9
239.14313	3.5
243.11632	3.8
244.12331	2.4
245.13286	6.2
247.14723	9.1
249.16406	12.0
251.14351	5.9
251.17804	4.2
253.16011	2.8
257.13190	4.3
259.14819	5.2
261.16330	4.9
263.17957	6.2
265.19513	3.7
267.17383	5.1
269.13339	2.4
269.19122	3.5
273.16333	4.7
276.15070	2.3
279.17520	4.3
281.19043	4.5
289.19577	2.8
291.17404	5.0
297.18317	5.9
299.17865	3.1
300.18726	2.5
307.20560	2.5
317.18893	3.9
335.20013	8.8
373.25113	14.3
391.26242	100.0
391.35950	7.0
392.26636	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	392.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	0.6
69.03400	0.4
69.84065	1.4
70.06593	2.0
71.04966	0.5
79.05489	0.6
81.07059	0.4
82.02676	1.5
84.04477	1.6
85.02899	0.8
86.09687	0.4
90.55721	0.4
91.05458	0.5
93.06994	0.4
95.08554	0.6
96.04489	0.5
97.02840	0.6
97.21410	0.3
97.69970	0.4
99.04401	0.5
105.17339	0.4
105.48389	0.4
119.04942	0.8
119.08488	0.4
121.10101	0.6
142.04898	0.5
143.93713	0.5
147.04370	1.7
149.02348	0.8
185.04208	1.0
230.07872	100.0
231.08249	5.3
251.96863	0.4
266.13849	0.8
294.13278	0.5
330.15320	1.0
335.22168	0.4
392.13138	31.1
393.13577	3.0
393.20370	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77249	1.1
53.03951	2.9
55.01867	2.8
55.50399	1.1
57.03431	2.5
61.02914	4.5
65.03946	7.9
69.03429	11.2
69.57430	3.3
69.57825	4.0
70.06592	3.2
73.02930	8.2
79.05508	2.5
81.03417	5.6
83.04999	3.6
85.02906	28.9
87.04467	1.5
91.05476	5.6
93.03405	9.9
93.07059	5.5
95.04971	14.9
97.02892	9.3
98.97576	2.2
105.04530	1.5
107.04945	3.9
109.00127	1.3
109.02858	1.9
110.03639	4.2
111.04439	16.2
119.04964	3.0
121.02866	6.5
121.06520	5.8
123.04416	4.2
125.05996	21.1
127.03928	5.4
133.06412	1.4
137.02304	1.9
137.05989	3.7
145.04971	4.3
147.04382	3.9
149.02347	9.3
149.06021	2.7
151.03917	37.7
151.05019	3.1
151.07544	3.9
154.02609	24.7
165.01833	1.8
166.02690	2.2
167.03436	7.4
169.04987	31.9
170.05237	1.4
177.05487	4.7
179.07039	4.0
180.04140	1.2
185.09608	1.3
195.06532	28.2
197.08104	10.6
213.07585	100.0
214.07974	4.3
225.07506	1.3
230.08115	3.9
333.12146	2.0
392.13116	5.2
392.17313	2.2
393.11444	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	392.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	21.3
62.75446	10.3
67.05502	16.3
69.00035	100.0
69.03432	11.2
79.05486	16.6
80.82598	10.0
81.07053	94.6
84.77274	9.2
85.02890	10.8
87.04461	12.5
91.05470	35.2
93.07036	27.4
95.08584	24.3
97.06503	17.1
98.23387	23.8
101.58640	10.1
107.08595	27.1
119.08587	16.7
121.10146	15.6
130.06558	12.6
133.10146	21.6
135.11682	56.3
149.02299	9.7
150.02826	9.0
152.07205	8.6
159.11690	17.9
163.07564	12.7
177.12788	20.2
180.10278	11.0
191.87709	9.7
195.13853	71.3
195.15411	10.8
199.21378	10.1
315.96124	11.0
348.17883	24.0
392.15857	17.3
393.18375	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	392.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	21.3
62.75446	10.3
67.05502	16.3
69.00035	100.0
69.03432	11.2
79.05486	16.6
80.82598	10.0
81.07053	94.6
84.77274	9.2
85.02890	10.8
87.04461	12.5
91.05470	35.2
93.07036	27.4
95.08584	24.3
97.06503	17.1
98.23387	23.8
101.58640	10.1
107.08595	27.1
119.08587	16.7
121.10146	15.6
130.06558	12.6
133.10146	21.6
135.11682	56.3
149.02299	9.7
150.02826	9.0
152.07205	8.6
159.11690	17.9
163.07564	12.7
177.12788	20.2
180.10278	11.0
191.87709	9.7
195.13853	71.3
195.15411	10.8
199.21378	10.1
315.96124	11.0
348.17883	24.0
392.15857	17.3
393.18375	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	393.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.2
55.15871	0.9
55.89469	0.8
57.03431	1.4
61.02922	0.9
67.26737	0.8
68.49382	0.7
69.03437	2.9
69.24265	3.8
69.24671	1.8
70.27921	0.8
72.00498	0.8
81.03415	1.0
83.01347	9.1
85.02903	6.2
86.06066	31.9
96.04469	0.9
97.02900	2.0
98.06057	5.1
109.06971	0.8
111.00804	30.2
112.01152	1.0
112.03971	1.4
127.03948	1.1
140.03441	1.4
140.07057	2.2
145.04961	1.7
168.06548	14.0
168.07890	0.9
178.05008	3.4
196.06056	100.0
197.06354	3.7
214.07112	23.8
215.07570	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1883
Annotation	Met Arg Ser
Peak:m/z	Relative Intensity
66.18401	0.4
67.05495	0.7
69.03421	1.0
69.22513	3.3
71.41544	0.4
72.23205	0.4
79.05492	0.9
81.07047	1.2
82.48337	0.5
83.99213	0.4
85.02911	0.8
86.24905	0.5
89.06016	1.4
93.07002	0.5
95.08607	0.8
97.02881	0.4
97.06509	1.4
103.05475	0.4
105.07046	0.7
107.08575	0.7
109.06414	0.5
118.28053	0.4
119.08630	0.5
126.25856	0.4
133.08621	0.8
133.10182	0.5
136.06189	0.7
142.17984	0.4
147.10260	0.5
205.06345	0.4
231.11279	1.6
393.18793	100.0
394.13950	0.7
394.19138	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	393.24
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01610	1.0
51.16730	1.0
51.73097	1.1
52.25971	1.0
53.03933	2.0
55.05515	8.6
57.03443	7.1
57.07077	36.9
62.76371	1.2
65.03947	1.4
67.05508	19.1
67.05844	1.8
69.07077	11.6
69.98013	2.8
71.08630	28.0
79.05500	6.6
81.07054	23.1
83.08624	12.0
85.06573	1.1
85.10186	15.4
91.05483	5.3
93.07053	9.4
95.04948	5.4
95.08605	27.5
97.06553	1.2
97.10173	5.2
98.98466	72.3
99.11731	1.9
105.07030	9.8
107.08613	4.9
109.10162	12.9
111.11777	1.7
116.99476	2.1
117.07021	2.6
119.08584	7.9
121.06512	2.1
121.10151	3.4
123.11718	6.1
129.07022	2.6
131.08566	5.1
133.10147	4.8
135.11716	3.1
137.13303	2.4
142.07794	2.6
143.08594	2.2
145.06635	1.0
145.10152	5.9
147.11728	1.6
155.01041	100.0
155.08546	1.4
156.01302	1.2
156.09373	1.6
157.10109	3.8
159.11732	3.2
161.09602	1.6
163.11258	1.3
169.10199	2.1
171.11752	1.7
173.13329	1.9
183.11702	1.3
185.09512	1.3
185.13290	1.8
187.11148	1.3
193.14368	1.0
195.11925	1.3
197.13342	1.8
209.13121	1.3
239.23720	8.7
245.29001	1.2
393.27893	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	393.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.9
57.07078	9.0
58.07401	2.1
67.05492	2.5
69.07047	1.8
71.04994	0.6
71.08607	0.6
72.01870	0.6
79.05483	2.4
81.07034	2.8
85.06520	0.8
91.05470	2.2
93.07021	1.2
95.04990	0.9
95.08610	1.1
102.30112	0.6
105.07020	1.3
107.08583	1.8
117.07001	0.7
119.08566	1.5
121.10164	0.9
123.64166	0.5
129.06978	1.1
131.08595	0.8
133.10153	1.2
137.09657	0.6
142.63829	0.7
145.10069	0.9
148.49136	0.5
149.05931	0.6
157.10240	0.6
159.11719	0.7
160.22498	0.5
171.11685	0.7
179.97803	0.6
184.85089	0.7
188.69620	0.5
200.99025	0.5
207.11278	1.1
224.13927	0.7
225.14323	0.9
308.19754	1.5
309.19952	5.4
312.10608	0.7
375.24777	4.6
393.26083	100.0
394.26437	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	393.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.9
57.07078	9.0
58.07401	2.1
67.05492	2.5
69.07047	1.8
71.04994	0.6
71.08607	0.6
72.01870	0.6
79.05483	2.4
81.07034	2.8
85.06520	0.8
91.05470	2.2
93.07021	1.2
95.04990	0.9
95.08610	1.1
102.30112	0.6
105.07020	1.3
107.08583	1.8
117.07001	0.7
119.08566	1.5
121.10164	0.9
123.64166	0.5
129.06978	1.1
131.08595	0.8
133.10153	1.2
137.09657	0.6
142.63829	0.7
145.10069	0.9
148.49136	0.5
149.05931	0.6
157.10240	0.6
159.11719	0.7
160.22498	0.5
171.11685	0.7
179.97803	0.6
184.85089	0.7
188.69620	0.5
200.99025	0.5
207.11278	1.1
224.13927	0.7
225.14323	0.9
308.19754	1.5
309.19952	5.4
312.10608	0.7
375.24777	4.6
393.26083	100.0
394.26437	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	393.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.2
55.01873	15.6
55.05508	23.0
57.03438	17.7
57.05359	4.0
57.07074	4.6
63.93509	2.8
65.03927	5.4
65.55949	3.1
67.05510	63.3
69.03419	9.6
69.07069	45.6
71.04991	5.4
71.08638	54.8
73.02901	4.3
79.05492	41.1
81.03418	8.6
81.07063	46.4
83.04973	18.3
83.08597	6.2
91.05484	100.0
93.07041	42.7
95.04971	23.1
95.08598	28.0
97.06548	19.0
98.98485	6.3
99.04456	5.8
99.08101	42.6
103.03948	4.9
105.07024	48.5
107.04971	10.8
107.08603	20.4
109.06524	10.1
109.10157	9.4
111.04442	7.2
111.08102	4.8
113.06028	4.7
117.07014	21.5
119.08584	90.7
120.08935	4.1
121.06496	16.9
121.10146	12.3
123.08058	3.9
123.11644	4.0
128.06227	5.7
129.05493	8.3
129.07005	7.3
131.08568	14.3
133.06488	4.1
133.10129	70.5
134.10509	3.6
135.08083	9.3
135.11703	10.7
137.09601	17.8
143.08530	18.7
143.32587	3.3
145.06506	3.7
145.10141	10.2
147.08034	8.6
147.11691	5.5
149.09613	10.9
151.11171	15.2
155.01059	6.7
157.10147	11.7
158.10535	3.5
158.47185	3.2
159.11713	7.4
161.09625	35.8
161.13283	5.2
167.10706	10.1
169.10121	11.2
171.11703	10.0
173.11806	4.8
173.13266	6.7
173.59468	3.3
175.11195	7.7
175.14874	5.3
177.12769	7.2
179.10619	17.5
183.11729	4.1
185.13255	8.4
187.11200	15.8
187.14923	5.1
189.12677	4.4
195.11757	4.6
199.14867	3.8
201.12762	3.8
203.14297	4.9
205.15787	4.1
217.15923	7.1
221.15314	6.7
235.16919	4.5
273.22537	4.7
283.20581	4.0
301.21628	32.6
315.51007	3.4
319.22690	10.7
393.26056	87.9
394.26480	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	393.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.2
53.81391	1.8
55.01875	29.7
55.05513	33.2
57.03436	28.7
57.07077	5.3
60.30507	1.7
65.03932	5.0
67.05503	58.4
69.03428	3.9
69.07066	29.7
71.04992	40.1
71.08626	37.9
73.02924	5.4
75.04486	4.7
77.03905	2.3
79.05492	71.9
81.03427	11.0
81.07053	47.0
83.04975	19.7
83.08619	11.4
85.02914	2.7
85.06533	12.4
85.10187	2.3
91.05479	100.0
93.07043	55.2
94.07397	2.5
95.04976	23.3
95.08605	28.9
97.06540	13.8
97.10165	2.9
98.22559	4.4
99.04443	18.0
99.08092	27.9
99.09280	2.0
101.06055	2.3
103.03967	5.1
103.05468	6.1
105.07027	53.5
107.04317	2.3
107.04943	13.1
107.08576	23.9
109.06539	9.0
109.10167	7.6
111.04438	2.5
111.08089	4.1
111.11683	2.5
113.09698	2.6
115.05460	9.9
116.06271	3.2
116.73960	1.8
117.05654	2.6
117.07014	69.8
119.08575	35.4
121.06499	12.0
121.10135	19.1
123.08100	12.1
123.11739	2.2
125.09678	2.1
126.90527	2.0
128.06262	7.8
129.05508	21.0
129.06992	36.2
131.04919	2.1
131.08575	56.1
133.06499	13.0
133.10139	20.5
135.08051	16.1
135.11707	7.0
137.09599	4.1
139.11139	12.2
141.06969	15.6
141.12769	4.7
142.07751	4.4
143.08554	27.2
145.06511	4.8
145.10114	29.3
147.08080	8.4
147.11684	7.7
149.09599	13.8
149.13242	2.9
151.11169	6.9
154.07793	2.9
155.08586	12.4
157.10123	22.8
159.08041	9.5
159.11668	14.5
161.09636	14.0
161.13290	6.6
163.11171	6.1
167.08554	4.6
169.10112	18.1
171.08072	2.5
171.11697	14.4
173.08101	16.4
173.09604	4.9
173.11722	5.1
173.13255	9.8
175.11212	8.0
175.14862	4.7
177.09158	5.2
179.14311	2.2
181.10106	7.0
183.11711	9.8
185.09619	3.6
185.13237	17.7
187.11200	21.3
189.09068	2.8
189.12712	3.0
189.16377	3.5
191.14314	4.7
195.11821	3.6
197.13219	2.5
199.11182	5.5
199.14835	7.9
201.12776	8.6
203.14305	19.2
213.12813	2.7
215.14435	2.8
217.12314	2.3
217.15872	12.7
227.18182	2.4
231.13739	2.5
239.17912	5.5
241.19467	4.8
255.21104	7.0
257.19022	3.6
265.19516	8.7
269.13821	2.7
273.22025	4.7
279.15933	4.3
283.20532	18.8
291.19556	13.0
293.17502	8.7
301.21628	29.9
319.22742	5.7
338.52515	2.2
357.24451	2.7
375.25403	26.9
376.25742	5.8
393.26508	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	7.8
55.01873	36.9
55.05511	35.1
57.03429	33.7
57.07064	12.6
63.92347	4.1
67.05505	63.5
69.03423	5.8
69.07078	44.9
69.29797	4.4
71.04995	52.6
71.08630	44.0
71.29884	6.9
72.08125	5.3
73.02916	6.4
79.05493	71.7
81.03423	8.2
81.07057	51.4
83.04979	17.2
83.08614	13.5
85.06550	14.2
86.69950	4.4
91.05480	100.0
93.07037	50.2
95.04987	28.8
95.08617	37.1
97.06538	16.5
99.04457	25.8
99.08092	37.7
105.07032	65.3
107.04980	13.7
107.08598	23.0
109.06529	12.0
109.10160	12.8
111.11702	5.3
115.05451	9.1
117.07014	70.2
119.08574	46.9
121.06489	22.8
121.10155	19.2
123.08048	11.2
123.11729	5.5
128.06265	7.2
129.05493	27.0
129.06990	30.7
131.08574	49.5
133.06529	9.0
133.10114	27.5
135.08075	19.0
135.11731	9.5
137.09621	6.8
139.11203	25.0
141.06956	27.0
141.12755	16.0
142.07794	5.7
143.08548	36.5
145.06546	5.7
145.10126	33.6
147.08032	14.5
147.11752	14.1
149.09648	9.4
149.13292	6.3
151.11168	9.3
155.08542	15.9
157.10143	31.7
159.08072	7.5
159.11703	17.9
161.09634	17.9
161.13309	12.0
163.11177	7.6
167.08571	9.1
169.10101	35.7
171.08022	9.5
171.11690	18.6
173.08154	28.9
173.09476	6.2
173.11766	12.9
173.13260	11.8
175.11279	8.8
175.14865	7.7
181.10101	7.9
183.11652	15.8
185.13239	26.9
187.11174	26.6
191.14348	6.7
195.10020	6.1
195.11722	6.7
199.11292	5.9
199.14862	7.9
203.14285	27.6
210.18544	7.7
213.16583	5.2
217.15933	14.2
228.19704	10.1
239.18047	11.3
241.19543	6.4
255.21069	6.4
265.19537	16.6
273.22174	9.5
283.20563	29.0
293.17596	6.1
301.21548	38.8
375.25394	30.8
376.25900	9.4
393.26846	33.5
408.01349	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	393.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.2
55.05511	25.1
57.03447	3.0
57.07074	14.9
61.37016	2.6
65.03944	5.3
67.05507	31.2
69.03346	6.5
69.03700	22.2
69.07071	28.5
71.05010	4.4
71.08638	4.3
79.05497	27.2
81.03448	3.1
81.07065	42.5
82.07397	3.2
83.08630	10.0
89.06041	6.4
91.05486	65.9
91.06013	4.9
93.07047	56.3
95.04973	43.3
95.08613	50.3
97.06512	6.8
97.10219	4.3
98.67944	2.6
98.98487	11.2
105.07036	99.5
106.07348	2.9
107.04929	3.1
107.08598	37.2
109.06531	12.4
109.10172	24.4
115.05494	3.9
116.05391	3.6
117.07005	15.6
119.04900	3.5
119.08582	59.7
121.06516	21.4
121.10157	23.9
123.08092	12.7
123.11711	14.7
128.06261	3.9
129.07034	9.2
130.07851	5.5
131.08559	20.5
133.06537	3.8
133.10138	29.7
135.08067	45.9
135.11702	9.5
137.09610	4.9
141.06989	4.8
142.07796	12.4
142.85890	2.7
143.08572	17.1
144.09300	2.9
145.10129	43.6
147.08104	7.5
147.11682	35.1
148.08923	3.5
149.09648	29.1
151.11247	3.6
155.01065	8.4
155.08606	6.8
157.10161	25.0
159.08122	6.0
159.11736	15.4
161.09665	13.5
161.13280	9.1
163.11232	5.0
165.06992	3.5
165.12782	5.5
167.08633	3.9
168.09354	4.1
169.10155	10.1
170.10896	3.8
171.11739	8.7
172.11560	4.6
173.09622	6.3
173.13235	3.8
175.11212	15.4
175.14787	8.1
177.12852	3.0
181.10092	4.8
182.11006	4.1
183.11726	11.4
185.13313	6.0
187.11270	4.2
187.14864	3.8
189.16452	3.4
191.14319	18.5
193.15906	6.7
195.11868	3.2
197.13255	4.0
199.14816	5.5
201.12729	4.5
203.14308	10.9
205.15898	100.0
209.13245	3.4
217.15971	7.6
218.16640	22.0
229.15953	6.1
270.19827	4.4
271.20627	11.8
284.21268	3.5
313.21573	6.7
346.74518	3.4
393.27734	33.8
394.31451	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	393.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.1
55.01876	3.4
55.05518	18.4
57.07090	12.8
65.03961	3.5
67.05504	40.0
69.07071	17.4
71.04996	4.2
71.08635	7.3
79.05495	44.8
81.07059	64.0
82.85971	2.7
83.04980	4.7
83.08614	8.3
83.65568	2.9
85.10137	3.1
89.55499	2.6
91.05484	55.7
93.07046	75.6
95.04970	49.1
95.08610	54.7
95.10035	2.7
97.06527	8.7
98.98459	9.1
103.05457	6.3
105.04552	3.8
105.07035	100.0
107.08599	46.2
109.06545	12.9
109.10141	27.6
113.62469	2.9
115.05492	5.8
117.07012	21.2
119.08576	75.5
121.06509	17.4
121.10143	40.4
123.08147	4.2
123.11713	10.5
128.06239	12.6
129.06999	19.2
130.07823	12.0
131.08574	41.2
133.06480	3.7
133.10136	55.3
133.11076	5.0
135.08028	6.8
135.11713	17.1
137.09601	5.1
141.07011	10.7
142.07797	23.5
143.08578	30.9
144.09373	12.1
145.10129	65.5
147.08138	3.6
147.11722	23.5
149.09604	3.9
153.06955	2.5
155.01056	11.2
155.08553	11.9
156.09335	12.6
157.10143	44.6
158.10870	7.5
159.08070	5.1
159.11678	37.4
161.09619	10.2
161.13280	9.2
163.11171	4.5
165.07069	3.3
167.08572	7.0
168.09372	2.7
169.10121	21.9
170.10901	6.2
171.11707	23.3
172.12415	5.1
173.09589	3.3
173.13252	17.1
175.11189	8.6
175.14799	13.9
179.08635	3.2
181.10153	9.5
182.10915	6.0
183.11674	12.6
185.13268	13.5
187.11195	5.3
187.14821	7.9
193.10141	7.6
194.10910	5.9
195.11758	10.4
196.12444	3.6
197.13269	13.2
199.11307	4.2
199.14821	8.0
201.12781	3.3
201.16408	6.9
206.10991	3.4
207.11719	6.9
208.12560	3.7
209.13269	9.5
210.13887	3.5
211.14824	6.9
213.16463	4.6
221.13255	7.1
222.13927	3.3
223.14833	7.8
225.16350	5.0
235.14828	3.6
237.16420	4.1
251.18086	3.1
265.19400	3.1
307.49884	2.8
375.26736	6.4
393.27878	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	393.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13573	4.0
55.05513	22.4
57.03431	7.7
57.07075	54.3
59.75939	4.1
67.05516	29.0
69.07064	23.9
71.08635	32.8
79.05496	24.4
81.07058	56.2
83.08613	14.8
85.06535	4.9
85.10168	16.6
89.06026	6.4
91.05485	47.1
93.07053	42.0
95.04969	26.8
95.08603	57.7
97.06522	8.6
97.10172	10.4
98.23353	13.2
98.98469	80.2
103.05484	3.8
105.07037	66.0
107.08607	23.8
109.06483	8.4
109.10164	29.7
115.05399	4.1
117.07056	22.1
119.08570	48.3
121.06506	12.5
121.10151	21.3
123.08028	5.3
123.11697	13.3
128.06232	7.8
129.06985	13.5
131.08527	24.3
133.10120	33.2
135.07903	5.0
135.11662	11.9
139.70273	4.0
141.06967	5.1
142.07774	12.6
143.08566	21.3
144.09259	5.1
145.10139	45.1
147.11674	10.8
149.13310	4.8
155.01036	100.0
155.08556	6.6
156.09369	8.3
157.10175	24.1
158.10750	3.9
159.11656	29.4
161.09657	11.2
161.13168	4.8
169.10121	10.1
171.11711	8.8
173.13203	10.5
175.14848	10.8
179.08667	5.6
181.10223	6.6
183.11649	10.3
185.13269	6.4
193.09914	5.5
194.10934	4.3
195.11812	7.9
197.13214	5.9
209.13258	5.4
220.48610	4.5
223.14839	5.6
225.16566	5.7
235.14888	4.8
239.23509	5.1
253.16022	4.2
264.77197	4.6
278.46384	4.3
326.68863	4.2
393.27893	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	394.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.2
55.01851	2.4
55.05503	6.5
55.94949	1.7
56.05031	20.7
57.03429	4.9
60.04522	3.7
61.02921	7.1
63.26383	1.4
67.05517	1.9
68.38606	1.9
69.03429	55.9
69.65457	6.6
70.06601	2.1
71.04982	4.3
73.02924	2.7
73.06526	1.6
74.06075	17.2
79.05482	2.5
80.05015	5.9
81.03413	45.1
81.07043	2.5
82.06570	5.7
83.04970	3.8
84.04515	4.7
85.02897	34.9
86.06086	1.6
87.04469	3.0
91.05479	4.3
92.05003	2.0
93.05788	4.0
94.06562	3.3
95.04970	1.9
96.04487	2.8
96.08137	3.4
97.02898	13.9
97.06532	3.0
99.04465	10.8
102.05537	7.3
106.06567	16.9
108.08112	4.8
109.02893	4.9
110.06042	10.5
110.09687	4.0
111.96410	2.1
112.07603	4.5
116.07083	30.2
119.04908	2.4
120.04477	5.7
124.07576	17.1
126.09163	2.6
126.80257	1.5
127.03879	4.2
130.08644	1.7
134.06046	8.1
134.08122	50.4
136.07602	5.9
138.09108	8.5
140.07050	3.0
141.05415	1.9
144.06525	4.6
145.04932	3.2
147.04422	6.5
152.07063	10.5
154.08646	5.6
166.08640	5.0
170.08109	4.1
170.11772	2.9
172.09692	2.6
179.10629	2.6
184.09683	38.0
191.41455	1.6
196.07867	3.7
196.09676	58.3
197.08194	3.1
197.09976	3.0
197.11795	5.2
198.11246	100.0
199.11522	2.9
200.09097	3.7
214.10741	97.2
215.09195	2.7
215.11073	4.1
216.12291	4.0
232.11795	23.1
291.96921	2.0
358.14771	1.6
362.14301	3.0
376.15924	27.3
377.16595	1.8
393.99863	1.9
394.17142	10.6
395.18115	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	394.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.5
55.01872	6.8
55.05510	8.0
57.03435	9.6
58.53619	1.4
61.02923	7.1
66.46510	1.3
67.05506	5.0
68.99795	2.3
69.03429	38.0
69.07069	43.1
71.04988	4.3
71.30884	1.3
73.02918	5.7
81.03418	24.3
81.07043	2.4
85.02905	100.0
87.00828	44.0
87.04436	2.0
91.03947	2.0
91.05475	3.9
93.07034	2.0
95.04977	1.7
97.02887	35.1
97.06557	3.3
99.04456	13.8
103.03996	1.5
105.01866	75.6
105.07041	2.0
106.02184	1.6
108.04514	1.9
109.02141	1.4
109.02879	26.3
109.10187	1.6
111.04420	1.8
111.11732	5.6
115.03982	2.0
117.01835	2.7
117.07004	1.6
119.04999	1.7
127.03913	68.0
129.01831	2.5
135.08090	3.4
136.31418	1.4
145.04965	36.2
146.53093	1.4
147.02832	1.3
147.04408	3.8
159.02881	11.7
171.02936	2.1
189.03935	3.1
207.04500	1.6
209.11755	2.4
231.04987	16.0
249.06131	6.1
250.06715	1.4
394.18716	2.7
395.20331	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	394.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	6.8
57.03429	4.5
67.05499	7.6
69.03422	12.2
69.07047	8.8
69.07382	34.7
71.04991	21.2
79.05495	9.3
81.03416	18.5
81.07064	10.1
85.02894	25.1
87.00851	6.9
91.05507	28.4
92.05827	9.5
93.07050	9.7
97.02876	9.4
98.23445	4.9
99.04472	5.8
105.01861	7.2
105.07041	8.2
107.04939	5.5
107.08594	8.4
109.02876	5.4
109.06523	8.9
109.57129	4.3
111.08096	13.4
119.04943	37.0
119.08540	7.1
120.05296	16.6
123.04402	5.8
123.08038	4.4
127.03950	15.2
129.09111	15.5
130.05008	4.8
133.10118	10.1
135.09181	6.3
137.05960	11.5
145.04959	12.2
147.04402	100.0
148.04750	65.1
151.11197	11.8
161.09607	11.7
179.10663	75.8
197.11725	44.2
212.95602	3.9
216.08841	4.6
217.09056	7.1
231.05040	5.0
232.09660	15.9
241.09151	6.8
250.14305	5.0
264.91174	5.1
301.11252	6.5
314.37656	4.5
329.61139	4.2
377.14166	6.1
394.14752	23.7
395.17068	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	394.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.4
57.06796	5.1
57.07077	86.0
58.07405	4.3
67.05521	4.1
69.07067	11.2
70.43224	9.0
71.08633	75.6
81.07084	4.3
83.08626	3.5
85.10190	47.9
89.06030	100.0
91.05482	3.9
93.07006	4.1
98.98448	6.4
99.11741	9.0
107.07067	8.6
113.13213	4.4
133.08604	48.0
151.09630	6.0
155.01038	5.1
177.11267	13.3
195.12268	71.6
247.94435	2.9
377.32611	38.3
411.98624	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	395.0742
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	20.8
67.05516	3.2
69.03426	6.5
70.71539	2.2
70.98122	6.7
71.29591	2.2
81.03410	3.2
84.96012	3.4
85.02905	5.2
91.05483	17.9
93.07059	2.3
94.15953	2.3
96.04509	3.3
97.02866	4.0
98.97575	25.1
107.04924	4.4
109.02885	3.8
110.97557	8.8
111.04438	3.4
116.98635	12.1
119.04937	36.8
120.04471	2.9
128.98622	10.9
134.99681	3.1
146.99663	3.3
147.04408	100.0
148.04739	4.8
153.09125	6.1
154.24197	2.7
161.01208	3.7
165.12732	2.8
175.00652	4.3
181.08609	4.7
193.01787	6.7
198.12146	2.8
199.09796	3.6
219.01836	8.7
221.01221	3.4
225.04344	9.3
237.02878	16.2
239.02310	10.7
243.05440	6.3
250.79672	2.7
251.02296	8.8
269.03299	29.8
280.99765	3.7
299.10257	3.5
394.25299	4.7
395.07047	75.2
395.13205	9.1
396.07126	4.6
413.07520	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	395.204
Annotation	Gly Arg Tyr
Peak:m/z	Relative Intensity
58.05080	0.5
59.89637	0.4
67.05508	0.9
69.07053	0.5
69.81432	1.3
69.81828	0.9
71.04998	0.5
79.05462	0.7
81.07030	0.5
82.02884	0.6
83.04966	0.6
85.02908	0.8
91.05479	0.8
93.07061	0.7
95.04979	0.6
98.90304	0.4
119.08638	0.5
120.45719	0.4
123.88349	0.5
124.31216	0.4
133.10097	1.1
141.07024	0.5
147.04373	1.1
149.09622	0.6
157.04947	0.4
157.10271	0.6
163.04005	0.9
203.05203	2.7
233.15329	0.8
299.65891	0.5
377.19299	1.4
395.20392	100.0
396.20825	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	395.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29710	4.8
52.62698	6.0
53.03959	5.7
55.01871	30.4
55.05517	36.1
57.03436	29.7
57.07055	8.4
57.54877	4.7
67.05510	80.7
69.03413	10.3
69.07054	24.1
71.04987	52.6
71.08636	23.6
71.30502	7.3
72.82770	4.9
79.05492	70.3
79.74902	5.7
81.03409	11.0
81.07057	72.5
83.04967	20.8
83.08608	20.1
85.06532	13.5
91.05479	100.0
93.07028	54.5
95.04959	31.7
95.08604	32.6
97.06522	22.7
99.04441	19.9
99.08076	23.3
105.07039	51.6
107.04935	8.2
107.08595	22.3
109.06484	13.9
109.10159	21.8
110.02504	5.2
111.08080	8.4
111.13432	6.1
113.06047	7.3
117.07022	23.1
119.08587	59.3
121.06535	7.6
121.10164	28.6
123.11680	7.6
128.06169	12.0
129.05476	7.4
129.07011	17.3
131.08572	29.1
133.10133	52.7
134.28206	5.4
135.08064	10.8
135.11662	13.0
137.09625	20.2
139.11154	10.9
143.08530	25.0
145.10114	30.6
147.08069	6.3
147.11711	15.2
151.07495	7.3
151.11183	15.6
155.08531	12.6
157.10100	11.8
159.11656	28.4
161.09616	31.0
161.13182	11.9
171.11722	30.6
173.08116	13.9
173.11885	5.4
173.13277	14.0
175.11102	6.9
177.12715	6.8
179.10641	13.1
185.13223	17.1
187.14815	18.0
189.12747	14.9
205.15883	6.1
205.19777	7.0
257.22421	12.4
285.22137	17.6
295.19135	15.6
303.23212	25.5
377.26868	15.1
386.57047	6.9
395.27359	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	396.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.7
53.18021	0.9
55.01871	3.7
55.05509	1.6
57.03442	6.8
59.05007	1.3
61.02929	11.2
69.03428	23.6
69.36794	1.1
69.76295	1.9
69.76679	2.1
70.06590	1.4
71.04996	4.9
73.02911	5.2
79.05483	1.9
81.03420	11.0
81.07061	1.2
83.04991	3.7
83.35702	1.0
84.08189	1.1
85.02911	100.0
86.03255	2.1
87.00840	1.4
87.04479	2.2
91.03974	6.9
91.05514	1.6
93.07076	2.3
97.02898	29.4
98.23310	1.6
99.04442	6.3
101.06015	6.8
103.04037	1.2
108.16346	1.0
109.02898	6.8
115.03962	1.8
119.08567	1.5
123.04428	7.9
125.01587	1.7
127.03924	23.5
135.08070	1.2
136.06207	4.7
145.04964	38.3
146.05244	1.5
147.04453	3.0
153.00990	1.9
163.06058	6.2
171.02097	11.1
180.08659	7.1
181.08585	1.1
198.07825	2.9
199.01572	16.2
199.09692	4.1
200.01941	1.3
200.09361	2.5
216.06628	4.0
217.02615	11.4
217.10826	1.2
218.10535	1.4
221.03108	2.7
234.05534	2.0
234.07635	3.8
234.09724	2.2
353.08392	1.8
396.12521	4.4
396.17468	3.0
397.07050	2.6
397.14929	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	396.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.2
54.62084	2.1
55.01871	3.7
56.17296	1.8
57.03426	6.0
58.04089	1.8
61.02934	13.3
69.03433	20.3
69.51672	3.5
69.52085	6.9
71.04988	4.0
71.61937	1.9
73.02911	5.7
73.30382	1.8
78.38226	1.8
81.03413	9.6
85.02911	100.0
85.68607	1.7
86.09738	2.2
87.04466	3.2
91.03973	5.5
97.02893	27.7
98.22593	3.4
98.97637	1.9
99.04465	5.2
101.06027	3.9
105.88420	1.9
109.02895	10.3
110.44096	1.8
123.04421	8.1
125.01593	2.6
127.03927	25.7
145.04965	52.1
153.01035	3.7
163.06067	5.7
171.02118	10.3
180.08673	9.6
181.08614	2.5
184.07324	3.7
198.05565	2.6
199.01585	18.4
199.09685	2.8
213.07323	3.1
216.06586	3.7
217.02650	13.7
231.10654	2.3
264.13623	2.2
366.85367	2.5
396.09250	3.6
396.17374	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	396.163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.4
55.05515	0.6
60.72961	0.3
65.03941	1.1
67.05499	1.2
68.86956	0.3
69.03436	0.9
69.07060	1.0
71.30085	0.5
71.49277	0.5
72.08192	0.4
79.05500	0.5
80.05014	1.9
81.03412	0.8
81.07071	0.8
82.06573	0.9
83.05000	0.4
83.34041	0.3
83.50349	0.3
85.02906	0.9
92.05005	2.4
93.05793	4.9
93.07058	0.9
94.06569	4.9
97.02914	0.6
97.06534	1.0
105.07043	0.9
106.06567	0.5
107.07354	0.4
107.08594	0.6
108.08146	0.5
110.06046	4.6
111.04451	0.4
119.08608	0.3
120.04469	1.2
121.10148	0.6
124.67921	0.3
127.03947	0.5
134.52910	0.5
138.05505	52.1
139.03902	0.7
139.05884	1.9
145.02859	0.8
147.04420	1.0
148.04710	0.6
148.41211	0.3
149.02448	0.3
150.12770	3.7
152.05589	0.4
160.03702	0.6
166.12305	1.7
170.93150	0.4
172.10989	4.2
177.05434	0.8
190.12039	4.2
194.11772	22.3
195.12105	1.1
201.03740	0.4
203.05290	7.4
216.09966	54.2
217.10323	2.6
232.86072	0.3
234.11012	0.8
235.09567	1.4
294.11945	0.4
352.17276	1.3
378.14929	0.5
396.16281	100.0
397.16660	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	396.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.6
57.03442	0.5
57.72757	0.5
62.17213	0.6
65.03927	1.3
67.05511	1.1
69.03430	2.1
69.07066	1.2
70.06567	0.7
71.28503	0.6
73.02910	0.6
79.05471	0.9
79.26426	0.5
80.03126	0.5
80.04999	1.4
81.03403	1.9
82.03783	0.6
84.35464	0.6
85.02917	1.9
91.05467	2.1
92.04986	2.2
92.05807	1.1
93.03392	0.9
93.05806	3.4
93.07052	0.8
94.06567	3.6
95.04932	0.7
97.02907	0.8
97.06527	2.2
105.07039	1.0
107.08608	1.1
108.08064	0.6
109.02888	1.0
110.06055	3.8
111.04461	1.1
119.04937	2.3
120.04504	1.3
120.05305	2.0
121.10162	0.7
127.03925	0.9
137.46587	0.6
138.05501	40.7
139.03905	1.7
139.05824	1.4
145.02798	0.7
147.04405	8.8
148.04747	7.8
150.12793	4.2
160.03641	0.7
166.12279	1.4
172.10951	5.5
177.05464	1.7
190.12016	3.2
194.11763	20.1
195.12154	0.7
203.05264	6.4
216.09953	45.5
217.10246	1.8
234.11093	0.9
235.09631	3.7
352.17188	1.2
371.20264	0.6
396.16241	100.0
397.16653	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	396.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	12.5
55.05513	17.7
57.07062	31.8
57.45581	11.4
63.13572	12.1
63.41339	10.9
67.05504	24.9
69.07077	100.0
70.61408	13.2
70.61746	30.1
71.08617	14.2
79.05488	14.9
81.07046	19.7
82.95520	12.2
89.06016	31.1
91.05461	18.0
93.07047	19.9
95.08616	27.4
101.80351	10.8
107.26971	11.6
111.11729	97.5
129.12726	72.0
135.08047	14.8
147.04402	24.5
148.04782	18.0
173.67796	12.7
184.13332	30.8
199.16843	15.0
235.98494	11.6
238.17952	30.7
240.74327	14.9
256.19073	72.0
289.85440	16.0
290.08661	12.7
292.75153	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	396.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
55.05515	1.1
57.07066	1.5
65.03937	1.8
66.25706	0.4
67.05505	2.7
69.07084	2.0
69.56016	1.4
69.56419	0.7
71.08636	2.8
79.05482	1.9
81.07063	4.1
83.08617	0.5
85.06540	0.9
91.05482	100.0
92.05816	3.4
93.07031	2.6
95.04966	5.3
95.08610	3.9
97.06521	1.4
99.08103	1.2
105.07021	2.3
106.06555	11.7
106.33334	0.4
107.08575	3.7
108.08119	17.0
108.08875	0.9
109.06518	8.0
109.10160	1.5
117.07008	1.4
119.08585	1.8
121.06514	1.5
121.10163	1.1
122.45126	0.4
129.06993	0.7
131.08562	1.9
133.10152	1.4
135.08054	0.9
137.09689	0.6
143.08542	0.6
145.10120	1.6
147.11710	0.8
155.08531	0.8
157.10115	0.6
159.11681	0.8
161.13260	0.5
165.12759	25.3
166.13101	1.4
169.10088	0.4
171.11749	0.7
172.56003	0.4
173.13272	1.5
175.11177	1.3
176.10687	0.8
179.14322	0.6
183.11722	0.5
191.14330	3.2
201.12727	1.1
204.13879	0.6
218.15361	0.4
242.15367	0.4
244.16966	1.4
271.20569	1.6
282.18591	0.7
289.21631	3.4
298.21664	4.5
299.21841	0.6
305.23557	0.5
378.28024	0.8
379.26657	0.5
382.91296	0.4
396.28970	8.5
396.34424	2.9
397.29312	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	4.8
56.51065	1.7
57.03445	1.9
57.07077	32.4
59.05006	2.9
67.05513	4.1
67.70359	1.6
69.07087	3.1
71.08636	29.4
71.28856	2.1
72.70010	1.8
73.02505	1.7
73.06560	5.6
79.05500	3.0
81.07075	5.3
83.08637	2.6
85.10188	24.8
87.04469	3.7
89.06033	100.0
91.05487	16.6
92.44558	1.7
92.76566	1.8
93.07076	2.8
95.04980	2.6
95.08613	3.6
97.92957	1.8
99.11717	3.1
105.07047	2.2
107.07079	2.3
108.08148	3.5
109.10139	2.6
119.08585	2.8
123.11707	2.0
131.08649	2.0
132.72696	2.1
133.08606	42.2
141.16432	3.7
143.08589	1.9
145.10127	2.4
151.09647	3.3
165.12762	3.2
173.09619	2.0
177.11240	9.5
185.19044	4.0
195.12042	2.0
229.21645	6.0
239.14883	23.5
251.37309	2.3
379.30533	15.1
396.34125	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	397.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30387	0.4
55.05503	0.5
67.05504	1.0
81.07063	0.6
85.12386	0.5
91.05547	0.4
93.07052	0.8
95.08588	0.8
105.07044	0.8
119.08566	0.8
121.10126	0.7
131.08646	0.5
186.99226	0.5
190.57722	0.5
212.30106	0.4
273.58823	0.5
322.59537	0.5
326.60992	0.5
370.51257	0.4
397.29251	100.0
398.29590	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	398.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
65.62087	0.4
69.03423	1.4
69.43688	2.0
81.03436	0.6
85.02907	2.5
96.94167	0.4
97.02917	1.2
99.04478	0.6
127.03931	0.5
158.95551	0.4
210.06099	1.0
218.16373	0.4
236.05475	0.7
236.14925	0.6
247.08298	0.4
254.05177	2.1
272.06100	1.5
398.10538	100.0
399.10849	7.3
399.16110	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06568	0.3
63.64021	0.3
69.03419	0.7
69.49331	1.5
70.06582	1.0
78.65683	0.3
79.05429	0.5
80.04984	0.4
81.03394	0.5
81.07046	0.6
85.02923	0.8
86.09684	0.4
91.64739	0.3
96.04505	0.8
97.02920	0.5
98.22707	0.7
108.04471	0.4
115.07567	0.4
122.09659	0.9
126.75697	0.3
127.03909	0.4
150.09140	5.9
152.07114	0.5
172.07666	0.4
188.07095	0.7
203.05258	8.8
218.07875	15.4
219.08244	0.7
231.87274	0.3
236.08952	4.0
236.14824	0.6
237.07372	1.7
258.11694	0.4
379.43390	0.4
398.14209	100.0
399.14832	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	398.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
54.76440	2.1
57.03440	35.4
61.02927	11.7
65.86754	2.1
69.03431	38.5
69.07079	18.6
70.25271	7.0
71.01374	3.6
73.02508	4.5
73.02919	75.8
73.03318	4.8
79.64323	2.2
81.03426	7.4
85.02905	100.0
87.04482	4.6
87.54511	2.4
91.03969	6.5
97.02892	58.4
99.04446	4.1
103.05471	5.6
109.02869	7.8
111.08108	3.5
115.03929	46.5
115.05952	1.9
127.03917	28.9
131.04929	8.9
133.04958	15.5
144.06604	2.2
145.04968	47.6
146.64154	2.3
163.06044	29.4
163.07420	3.9
223.06026	5.1
241.07028	3.4
249.13374	3.6
253.57750	2.4
259.08173	4.6
273.64413	2.2
295.10287	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	398.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	42.2
61.02930	12.1
67.05505	3.8
69.03427	35.4
69.07064	44.1
70.34280	7.5
71.01366	3.2
73.02915	76.8
81.03400	11.8
85.02905	100.0
87.08088	10.5
91.03938	4.2
93.07024	4.1
95.04933	3.3
95.08603	5.4
97.02889	55.0
97.06535	2.5
99.04437	7.0
99.08077	4.7
102.18899	2.5
107.08547	3.3
109.02885	12.3
111.04427	3.4
111.08071	4.6
115.03924	36.6
123.08018	4.6
127.03909	32.0
131.08643	3.0
133.04959	10.5
135.08006	4.1
145.04958	51.4
146.05386	2.6
153.09050	5.5
154.37027	2.7
163.05995	31.8
165.09070	5.7
183.10333	2.9
186.16989	2.8
195.10085	3.3
201.11234	7.1
213.11237	7.0
223.06029	4.3
231.12296	18.4
237.10934	4.0
237.99168	2.8
241.06973	3.7
255.60460	3.1
259.08185	4.4
365.23184	2.4
375.97787	3.1
383.90097	2.5
398.21347	2.6
399.16119	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	398.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.2
56.96553	0.2
57.03439	4.2
58.06602	10.3
59.07383	4.9
60.08164	3.8
61.02910	0.4
67.35638	0.2
68.05013	0.5
69.03436	1.8
71.28146	0.2
73.02905	1.0
75.04120	0.2
75.04485	2.4
79.91188	0.2
80.05013	2.9
80.94289	0.2
81.03409	0.5
85.02905	2.8
87.04468	3.4
93.05530	0.3
95.06092	7.3
97.02905	0.9
97.98426	0.2
98.97557	0.6
99.04434	0.7
101.06005	0.2
103.03947	0.7
105.05501	0.5
109.02870	0.3
112.99099	0.2
127.03930	0.3
131.01834	0.2
131.07010	1.1
136.06128	0.2
138.05478	0.3
144.10205	0.9
152.06978	0.3
158.99727	0.3
159.06454	0.2
160.09593	0.2
162.11337	0.3
168.03616	0.2
174.10274	8.9
175.10538	0.3
188.99113	0.2
190.64088	0.2
218.09256	0.8
236.14925	100.0
237.15305	3.4
249.06337	0.4
276.94736	0.2
308.09500	0.3
322.15067	0.2
343.86060	0.2
354.16476	0.6
398.20215	10.9
399.20560	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.9761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98656	0.3
56.96564	8.2
64.44580	0.2
69.58862	1.1
70.74186	0.2
71.95267	2.8
93.07656	0.2
98.23361	0.4
98.97581	91.9
99.97895	0.6
112.92284	0.3
116.98618	46.9
117.98940	0.5
130.93291	0.8
134.99655	13.6
140.00182	1.0
153.00731	1.6
154.93259	0.3
158.01254	0.6
169.98883	0.2
170.25970	0.3
171.46352	0.2
172.94350	4.2
177.00850	0.3
190.95372	3.8
197.95175	0.4
208.96432	1.0
214.95395	3.0
221.01634	0.2
230.98468	0.5
232.96458	7.2
233.96748	0.3
234.99792	0.3
240.98938	0.5
250.97523	3.5
256.96420	13.8
257.96796	0.4
258.99777	3.1
259.99796	0.3
261.02988	0.6
274.97491	100.0
275.97861	2.9
277.00818	3.1
278.01047	0.5
283.00168	1.4
290.12250	0.3
292.98553	59.1
293.98917	1.5
294.49310	0.2
297.99048	1.9
298.97787	0.6
301.01016	1.6
302.01126	0.5
303.00891	0.7
310.99597	0.6
316.00183	0.6
316.98889	1.4
317.98355	0.3
357.03784	1.1
374.98572	0.5
398.97781	1.1
416.98785	3.4
417.98914	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
56.96566	42.2
61.12013	0.6
69.03409	1.8
69.59581	1.3
69.59975	1.7
71.95261	2.0
73.02914	0.7
74.97614	1.1
81.03423	1.2
82.06576	7.2
83.04971	0.9
84.08147	0.8
84.96033	13.2
85.02889	2.8
97.02878	3.3
97.96791	0.8
98.97582	100.0
99.97916	1.2
102.97073	1.2
110.97568	20.6
112.99135	3.5
116.98618	46.3
124.07388	0.7
124.99114	2.3
126.97078	1.3
127.03888	0.9
128.98604	21.4
131.00159	5.0
134.99652	16.3
136.06181	3.4
140.00243	1.0
140.98599	3.2
143.00142	13.2
144.98083	3.0
146.99648	11.5
149.01202	3.0
151.00670	1.4
152.00215	1.6
152.07071	2.7
152.98631	1.6
153.00705	1.5
155.00102	0.9
158.99641	8.4
161.01205	23.5
162.99149	2.8
165.00749	1.1
166.01881	0.9
168.06560	1.0
169.01729	1.6
170.01208	1.3
170.99663	4.8
172.94331	1.4
173.01250	0.8
174.99130	1.3
176.98561	1.6
177.00700	12.7
177.02113	1.0
179.02267	5.7
182.99654	1.1
184.02803	1.0
187.02785	1.8
189.00688	5.0
194.99678	10.0
195.01750	2.3
196.00009	1.4
201.00687	8.8
207.01797	2.2
213.00703	55.4
214.01093	1.4
218.99725	2.0
219.01740	37.2
220.02675	1.3
223.02831	0.9
231.01743	30.5
232.96448	1.8
236.02289	1.3
236.14964	2.0
237.00711	2.2
237.02802	47.9
237.15283	0.8
238.03813	8.9
250.09315	1.7
255.01755	4.2
255.04066	2.2
256.02472	0.7
256.04929	3.7
256.96497	2.2
257.57135	0.8
258.09747	3.4
258.99942	0.9
261.03061	1.2
267.01868	1.4
273.02863	2.8
274.97507	17.2
277.00684	1.0
279.01669	2.4
279.04309	1.0
280.04910	4.2
281.03345	2.7
285.02866	1.9
291.01700	7.2
292.98514	10.9
297.02707	2.2
298.06168	1.8
299.04443	2.5
309.02805	1.8
321.02786	2.6
339.03772	14.8
357.04883	22.6
358.05319	1.1
375.05817	4.5
380.06339	1.0
399.06024	37.2
399.12225	4.6
399.17566	5.1
400.05557	1.1
400.10190	4.4
400.15826	1.4
417.07159	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	399.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37832	0.5
51.13540	0.4
55.01864	2.4
55.05500	2.2
55.88364	0.5
56.96554	0.6
57.03416	1.6
58.36625	0.5
65.03934	0.6
67.01862	2.5
67.05492	2.3
68.99790	4.0
69.00844	5.4
69.03442	3.9
69.07054	2.2
71.04991	0.8
79.05507	2.9
81.03412	1.6
81.07067	2.8
82.68554	0.6
83.01353	0.7
83.04995	1.2
84.04495	0.7
85.02893	1.4
91.05479	2.2
93.07043	2.4
94.28464	0.5
95.04945	1.0
95.08613	1.1
96.24377	0.6
97.02897	1.8
97.06536	4.9
97.10133	0.6
98.23354	1.2
101.06017	0.6
103.05522	0.7
105.07043	2.1
107.04975	0.7
107.08600	1.4
109.02892	1.7
109.06524	0.8
109.10142	1.0
111.00809	1.2
111.04431	0.8
115.05462	1.9
117.07051	0.6
119.08587	1.6
121.02863	0.6
121.10128	1.7
123.04411	2.2
123.08098	0.7
123.11728	0.7
127.03927	1.9
128.06194	1.3
129.05446	0.7
129.06990	2.3
130.06421	0.8
131.04895	1.0
131.08588	1.2
133.06538	0.8
133.10135	1.3
135.04422	0.9
135.11690	1.2
137.02353	2.2
139.03886	1.5
141.06924	0.7
143.04924	1.2
143.08569	2.0
143.10664	0.5
145.06462	1.3
145.10139	1.4
147.04454	1.9
147.08000	0.7
151.11221	0.7
152.06160	1.0
153.01831	100.0
153.06995	2.2
153.59547	0.6
154.02141	3.0
155.03439	1.3
155.04883	1.4
155.08537	1.7
157.06552	1.8
157.10156	0.7
159.08032	0.7
159.11723	0.8
160.05177	2.3
161.05994	5.3
163.03914	1.0
165.01868	2.4
166.18481	0.6
169.06459	0.9
171.02933	1.2
171.04352	0.6
171.08081	1.5
173.06010	2.5
175.03835	1.1
175.07526	3.2
176.04613	0.9
177.05420	0.7
179.03439	0.7
181.06474	2.7
183.02856	0.7
183.08051	1.0
184.05133	0.8
187.03911	1.3
187.07532	2.1
188.08357	0.9
189.01834	0.7
189.05492	1.6
189.09030	2.8
195.08165	0.9
197.05919	0.9
199.07530	3.9
200.04736	1.1
201.05539	3.2
201.09074	2.4
203.03329	2.7
203.07082	1.6
205.08594	0.9
209.05933	0.8
211.07555	1.1
213.05475	1.6
215.07062	1.5
216.04175	0.7
217.05037	3.9
217.08614	1.7
219.17365	1.1
223.07556	0.8
227.03529	0.7
227.07019	4.4
228.04153	0.8
229.04977	2.5
229.08598	5.7
231.06534	2.2
232.10526	1.0
237.05545	1.0
237.14903	1.1
240.04147	0.8
241.08604	1.5
243.06606	1.3
245.04430	3.1
245.08124	2.9
250.06227	0.9
251.07016	0.8
253.04944	0.9
255.06525	12.2
256.06897	1.0
257.04620	1.4
261.08862	1.1
262.08881	1.0
269.04504	1.3
269.08081	1.4
270.05212	0.7
271.06018	1.1
273.04050	3.6
273.07623	18.0
278.11029	1.1
279.06580	2.0
281.04596	0.7
282.05276	1.8
285.03842	3.8
291.06696	0.9
295.06131	2.1
297.04169	0.9
297.07568	1.5
298.04721	3.7
299.05563	4.4
299.09021	0.9
301.03448	4.2
302.04181	1.4
303.04865	2.9
306.05325	1.4
307.06171	1.2
307.09784	1.8
309.07623	1.7
311.05527	4.0
311.09149	2.0
312.99744	0.8
313.03491	14.9
313.07193	2.5
314.03918	0.8
315.05099	0.9
315.08603	0.7
317.08307	0.7
319.05878	0.6
321.07776	0.7
323.05536	1.4
324.06366	1.2
325.07043	4.2
325.10718	1.3
326.04291	3.7
327.04993	6.0
327.08533	1.1
334.04608	1.3
335.05502	1.2
335.09122	4.0
337.07178	3.5
338.07574	0.7
339.05014	1.6
339.08774	1.2
340.05765	1.1
342.07288	1.5
343.08206	0.7
348.06235	0.8
351.05014	0.6
353.10306	3.9
355.08118	14.2
356.08487	1.0
363.08664	4.4
381.09686	16.0
382.10159	1.0
399.10788	48.3
399.19269	5.2
400.11200	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	399.1076
Annotation	Piscerisoflavone E
Peak:m/z	Relative Intensity
53.03929	0.5
54.01480	0.4
55.01859	1.6
55.05514	1.0
57.03424	1.4
67.01869	2.3
67.05492	0.9
68.99786	3.5
69.03429	1.2
69.07079	2.2
69.78424	1.8
79.01849	0.5
79.05470	1.5
80.25391	0.4
81.03430	0.5
81.07044	0.9
83.04967	0.8
91.05475	1.1
93.07016	1.0
95.04964	1.2
97.02891	1.5
97.06534	3.1
101.66802	0.4
103.05475	0.5
105.07031	2.2
107.04994	0.5
109.02904	0.6
109.10120	0.5
111.00781	1.8
115.05481	0.9
119.08568	0.5
121.06488	0.7
123.04437	2.0
125.09605	0.6
127.03916	1.0
128.06223	1.0
129.06956	1.1
131.08507	0.7
133.06490	0.9
133.10127	0.7
137.02321	1.3
139.03922	1.8
141.06932	0.9
143.04968	1.3
143.08551	1.3
145.06491	1.2
147.04398	1.7
147.16156	0.5
151.03886	0.5
152.06267	0.5
153.01828	100.0
153.06979	3.6
154.02156	3.9
154.69897	0.4
155.03471	1.0
155.04887	0.9
155.08612	0.8
157.06506	1.2
159.08046	1.1
160.05231	2.1
161.05995	5.2
163.03903	0.9
165.01833	3.4
165.07022	0.5
167.08655	0.5
171.02998	0.7
171.04404	1.1
171.08038	1.5
173.06003	3.0
175.03932	1.1
175.07498	2.5
176.04698	0.8
177.05348	1.3
179.03400	0.9
181.01341	1.1
181.06520	4.1
183.02945	0.8
183.08078	0.8
184.05150	0.8
185.06050	0.8
186.06706	0.8
187.03911	1.1
187.07533	1.7
188.04585	0.7
189.05479	2.1
189.09146	2.5
197.06003	1.0
199.03922	0.9
199.07535	3.7
200.04749	1.4
201.05440	3.2
201.09102	2.5
202.06197	0.5
203.03320	2.8
203.07018	2.0
205.08595	1.0
207.03049	0.8
209.05959	1.2
211.07524	0.6
213.05501	1.7
213.09164	0.5
215.07130	1.9
217.05025	4.1
217.08585	1.9
225.05579	0.6
227.03397	0.7
227.07037	5.0
228.04095	0.6
229.05058	2.9
229.08604	5.2
231.02753	0.5
231.06548	1.9
231.10213	0.6
237.05505	1.3
240.04192	1.0
241.04973	1.1
241.08572	1.1
243.06520	0.7
245.04503	3.0
245.08092	3.1
251.06908	0.8
253.05016	1.3
255.06519	11.3
257.04459	0.9
259.05820	0.7
269.04456	1.2
269.08054	1.6
270.05124	0.9
271.05966	1.1
273.04080	2.7
273.07547	17.6
274.08041	0.7
278.05847	1.1
279.06482	1.1
281.04477	0.8
282.05374	1.5
283.06067	0.6
285.03961	3.5
286.04742	0.5
291.06384	0.5
292.07422	0.6
295.06088	1.7
297.04166	1.0
297.07663	1.1
297.53030	0.6
298.04776	3.4
299.05475	3.4
301.03470	4.6
302.04172	1.5
303.04974	3.4
306.05127	1.1
307.06219	0.9
307.09644	1.7
309.07642	1.7
310.04861	0.9
311.05521	4.0
311.09094	1.2
313.03461	12.4
313.07077	1.3
314.03940	0.9
315.08411	0.8
320.06735	0.9
323.05490	1.7
324.06274	2.1
325.07043	4.1
325.10532	0.8
326.04251	2.7
327.05002	6.5
327.08698	1.6
333.75989	0.5
334.04736	1.8
335.05539	1.1
335.09213	3.5
336.09552	0.6
337.07169	3.5
339.04858	1.6
339.08707	1.2
342.07172	1.5
343.08356	0.6
348.06198	1.2
353.06366	0.8
353.10175	4.6
355.08084	13.0
356.08374	1.3
363.08704	5.3
381.09702	18.6
382.09802	2.2
399.10742	46.5
399.19525	1.3
400.11075	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	399.1073
Annotation	Piscerisoflavone E
Peak:m/z	Relative Intensity
55.01871	1.3
57.03433	0.7
59.08306	0.5
60.05502	0.7
67.01853	2.5
67.05502	0.6
68.99770	4.7
69.03404	1.6
69.07074	0.8
79.05482	1.3
81.03391	0.6
91.05482	0.8
91.16811	0.6
95.08660	0.7
97.02874	1.4
97.06530	1.4
100.11230	0.5
105.07025	1.3
109.56949	0.6
111.00795	3.1
115.05448	1.8
117.07045	0.8
123.04406	2.0
125.02319	1.1
128.06212	1.3
129.06987	1.3
130.06538	2.1
131.08659	0.7
133.06401	0.6
133.10100	0.6
137.02380	0.9
139.03920	1.2
141.06979	1.0
143.04930	0.9
143.08531	1.5
147.04420	1.8
149.05939	0.7
152.06206	0.6
153.01826	100.0
153.06967	3.3
154.02164	3.5
155.03395	0.7
155.08556	1.6
159.08009	0.9
160.05170	2.6
161.05988	5.0
165.01819	2.4
169.06435	1.5
171.03011	1.1
171.04411	0.7
171.08035	1.7
173.06052	3.2
174.06781	0.9
175.03903	0.9
175.07533	2.1
176.04623	0.8
177.05482	1.1
181.06477	3.0
183.02844	0.5
183.07977	1.1
184.05208	0.9
187.03935	0.8
187.07545	2.0
188.06941	0.7
189.05489	1.9
189.09109	3.1
195.02823	0.7
195.08098	0.7
199.07573	3.8
200.04721	0.8
201.05449	3.8
201.09125	1.7
203.03398	3.0
203.06987	1.7
205.08441	0.7
209.05901	0.6
211.07431	0.8
212.04768	0.7
213.05492	1.3
215.07074	1.1
216.04187	0.8
217.04939	2.7
217.08611	2.0
219.09190	2.0
225.05650	0.6
227.03387	0.8
227.07021	4.8
229.05046	1.2
229.08589	6.5
231.06549	2.0
237.05382	0.9
240.04051	0.7
241.08563	1.2
243.06410	1.2
245.08047	3.6
250.06316	0.7
255.06519	11.7
256.06805	0.9
269.08163	1.6
270.05185	1.0
273.04510	1.2
273.07574	19.4
274.04956	0.9
274.08002	1.4
279.06607	1.7
281.04602	1.0
282.05319	1.7
283.06055	1.0
285.04037	2.8
295.06018	1.8
297.03955	1.5
297.07559	1.6
298.04654	3.6
299.05386	1.8
301.03427	1.2
302.04196	1.6
303.05023	1.5
306.05130	1.5
307.05978	0.9
307.09595	2.1
309.07541	1.8
310.04865	1.1
311.05472	4.3
311.08817	1.1
312.05933	0.7
313.03363	4.9
313.06879	1.1
315.08344	0.7
317.07855	0.8
320.06757	0.7
323.05499	2.2
324.06189	2.3
325.06979	2.4
325.10547	0.9
326.04196	1.8
327.05017	6.8
327.08539	1.2
334.04559	1.8
335.05524	1.0
335.09036	4.2
336.09705	0.7
337.07001	3.5
338.07706	0.8
339.04919	1.6
339.08643	1.0
342.07397	0.7
348.06055	0.9
352.05807	0.7
353.10233	5.2
355.08057	11.0
359.41370	0.7
363.08600	6.8
364.08737	0.8
381.09695	17.4
382.10165	1.3
399.10757	31.3
399.19592	1.2
400.10791	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1076
Annotation	Piscerisoflavone E
Peak:m/z	Relative Intensity
55.01861	1.5
55.05503	2.0
57.33453	0.6
59.16434	0.4
60.28360	0.4
67.01852	2.1
68.99789	4.5
69.03416	2.0
69.07065	1.4
69.10630	1.5
69.11057	1.9
76.31888	0.4
79.05479	1.7
81.03411	0.7
83.04984	0.6
85.02897	0.7
91.05469	1.3
95.04982	0.7
97.02889	1.1
97.06525	1.9
98.23375	0.8
103.05482	1.0
105.07031	1.1
107.08586	0.5
109.02895	0.9
111.00821	3.1
115.05441	1.1
117.07029	1.4
121.02808	0.7
121.06406	0.5
123.04430	1.4
125.02368	0.5
127.03899	1.2
128.06235	1.7
129.06981	1.3
129.36768	0.4
130.05011	0.6
130.06544	0.7
131.04932	0.8
131.08568	1.0
133.06468	0.9
137.02312	1.6
139.03899	1.3
141.07019	1.2
143.04913	1.1
143.08574	2.3
145.06454	1.2
147.04420	2.9
149.02356	0.6
149.05974	0.7
152.06210	1.0
153.01826	100.0
153.06976	4.0
154.02176	2.7
155.04892	0.8
155.06073	0.6
155.08575	1.3
157.06473	1.6
159.04395	0.7
159.08031	1.0
160.05167	1.9
161.05963	4.1
163.03922	0.8
163.07671	0.6
165.01846	4.9
165.06990	0.6
167.08565	0.8
168.05745	0.5
169.06435	1.3
171.02925	1.0
171.04364	1.0
171.08035	1.9
173.05991	3.3
173.09665	0.5
174.06694	0.6
175.03922	1.4
175.07570	3.5
177.05490	1.9
178.31447	0.5
179.03406	0.8
179.91823	0.5
181.01331	1.1
181.06448	3.5
182.06975	0.5
183.02885	0.5
183.08060	1.4
184.05234	1.3
185.05975	1.0
186.06705	0.5
187.03940	1.3
187.07495	1.8
188.08394	1.0
189.05481	1.3
189.09129	2.4
191.03403	0.7
195.08017	0.8
197.05942	0.8
199.03932	1.5
199.07549	5.1
200.04724	1.3
201.05464	3.2
201.09082	2.3
203.03450	2.3
203.07027	1.4
205.06645	0.5
205.08585	1.1
207.02985	0.5
209.05986	1.3
211.07567	1.1
213.05423	1.9
213.09036	0.7
215.03326	0.6
215.07037	2.0
217.04932	3.0
217.08626	1.6
219.10246	0.7
227.03596	0.8
227.07016	5.3
229.05008	2.2
229.08586	4.6
230.05823	0.5
230.08818	0.6
231.02832	0.6
231.06573	1.9
237.05424	1.6
240.04205	0.8
241.04922	0.6
241.08630	1.2
242.05649	1.3
243.06480	1.0
245.04474	1.4
245.08104	3.1
250.06300	1.0
251.07002	0.6
253.04947	2.2
255.06532	10.7
256.06876	0.9
263.07092	0.5
265.05026	1.0
265.08350	0.6
267.06381	0.7
269.04434	3.3
269.07935	2.4
270.05136	1.8
271.05930	1.4
271.09549	0.5
273.04025	1.6
273.07553	15.9
274.08173	0.6
279.06412	1.6
281.04416	1.3
282.05286	2.0
283.06067	1.0
285.03970	3.0
286.04504	0.6
289.08624	1.1
291.06534	0.9
292.07260	0.8
295.06061	1.6
296.06619	0.9
297.03970	2.5
297.07550	2.0
298.04764	3.7
299.05447	2.7
301.03439	2.2
302.04233	1.3
303.04764	2.3
306.05383	1.4
307.05994	1.3
307.09637	2.1
309.07504	2.0
310.04877	1.0
311.05505	5.1
311.09052	1.2
313.03519	7.7
313.07138	1.8
315.08615	0.5
317.08054	1.0
319.06161	0.9
321.07587	0.6
323.05478	1.6
324.06287	3.0
325.07089	2.9
325.10712	1.1
326.04056	2.9
327.04999	6.8
327.08545	0.8
334.04761	2.4
335.05405	1.4
335.09113	4.1
337.07211	3.5
339.04968	2.2
339.08548	1.0
340.05548	0.9
340.40161	0.6
341.06567	0.5
342.07489	0.9
348.06381	1.3
352.05859	0.6
353.06577	0.7
353.10233	4.9
355.08112	11.3
356.08679	0.5
363.08640	5.4
366.07208	1.1
381.09674	46.2
382.09961	4.2
399.10736	34.7
399.19733	1.8
400.11093	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1074
Annotation	Piscerisoflavone E
Peak:m/z	Relative Intensity
52.05853	0.4
53.03935	0.5
55.01859	1.4
57.03433	0.5
67.01862	3.0
67.05514	0.5
68.99789	3.8
69.03414	1.9
69.07053	1.2
69.30822	2.2
69.31225	0.8
75.81080	0.4
76.51344	0.4
79.05483	1.3
81.03410	0.5
83.01351	0.6
83.04964	0.6
85.02908	0.8
91.05463	0.8
95.04904	0.5
97.02888	1.3
97.06533	1.2
103.05453	0.4
105.06989	0.5
108.22339	0.4
109.02880	0.7
111.00792	1.7
115.05443	1.6
117.07040	0.5
119.08580	0.6
123.04436	1.9
125.02327	1.0
127.03899	0.8
128.06206	1.1
129.06958	1.5
130.06512	1.4
131.04924	0.8
131.08545	0.6
133.06470	0.7
137.02350	1.4
139.03876	1.7
141.06967	0.7
143.04938	0.7
143.08546	1.8
145.06453	1.0
147.04413	1.0
149.05986	0.5
151.03905	0.4
152.06192	0.6
153.01822	100.0
153.06967	3.8
154.02165	2.8
155.03381	1.3
155.04814	0.5
155.08556	1.5
157.06467	1.8
158.08376	0.6
159.08035	0.7
159.09201	0.7
160.05190	2.2
161.05972	5.5
163.03902	0.8
163.07460	0.5
165.01804	3.0
165.06984	0.5
166.02757	0.5
167.08669	0.5
168.05771	0.5
169.06474	0.8
171.02916	0.7
171.04378	0.7
171.08080	1.5
173.05983	3.4
174.06744	0.7
175.03969	0.7
175.07532	2.5
176.04713	0.6
177.05437	1.2
179.23306	0.4
181.01328	0.8
181.06494	3.3
183.02898	0.9
183.08087	1.0
184.05197	0.8
185.05971	0.8
186.06816	0.7
187.03964	0.9
187.07544	2.4
188.04803	0.5
188.06978	0.8
189.05464	1.2
189.09122	2.4
191.06905	0.6
193.04959	0.5
195.03014	1.0
195.07997	0.8
197.05994	0.7
199.07524	3.8
200.04683	0.6
201.05501	3.9
201.09140	2.4
203.03371	2.9
203.07045	1.4
205.08574	0.9
207.02802	0.6
209.06029	1.0
211.07587	1.0
212.04681	0.9
213.05466	1.3
213.09129	0.8
215.07065	1.9
216.04163	1.0
217.05037	1.9
217.08492	2.2
219.09151	2.4
225.05400	0.4
227.07019	4.4
229.05009	1.8
229.08543	4.9
231.06537	1.5
237.05553	0.9
240.04027	0.7
241.04820	0.5
241.08652	1.1
242.05846	0.7
243.06544	0.6
244.03658	0.5
245.04520	0.6
245.08047	3.5
250.06314	0.6
251.06891	0.9
253.05058	0.8
253.08807	0.6
255.06523	11.4
256.06873	0.6
257.04404	0.8
258.05219	0.6
265.04724	0.5
269.04572	1.0
269.08176	1.4
270.05209	0.8
273.04190	1.3
273.07550	17.4
274.05145	0.5
274.07968	0.9
278.05890	0.7
279.06622	1.4
279.10089	0.5
281.04593	0.6
282.05270	2.3
283.05981	0.6
285.03888	2.3
286.04559	0.7
291.06662	0.7
292.07178	0.6
294.05215	0.5
295.06036	2.0
296.06815	0.9
297.04016	1.2
297.07690	1.7
298.04776	3.6
299.05405	2.2
299.08530	0.5
301.03433	0.7
302.04297	1.0
303.05127	1.6
306.05316	1.6
307.06241	1.0
307.09763	2.0
309.07635	2.0
310.04761	1.1
311.05524	3.8
311.09174	1.2
313.03430	6.5
313.07086	1.8
315.05032	0.6
315.08701	0.8
317.08038	0.9
319.06329	0.5
320.06879	1.2
323.05606	2.2
323.09082	0.7
324.06241	2.6
325.07074	3.3
325.10522	0.8
326.04208	2.2
327.04962	5.9
327.08505	0.7
328.05338	0.5
334.04623	2.2
335.05392	1.3
335.09155	3.1
337.06973	2.6
338.07721	0.6
339.04822	1.0
339.08566	0.9
340.05930	1.1
341.06372	0.6
342.07343	0.9
343.08032	0.8
348.06354	1.2
351.05008	0.7
352.05634	1.0
353.06296	0.7
353.10165	4.2
355.08081	10.4
363.08588	5.5
381.09653	15.3
382.10001	1.0
399.10739	25.0
400.11066	2.2
420.73111	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
53.47756	0.7
55.01879	1.0
57.03439	6.9
58.87274	0.7
61.02924	2.7
67.05494	0.7
69.03436	9.7
70.06582	1.1
70.59053	1.4
70.59402	0.8
71.05007	2.1
73.02922	2.2
75.04470	1.0
81.03419	4.6
82.79116	0.8
85.02909	22.7
86.09702	1.4
87.04451	1.4
91.03981	1.4
91.05490	1.1
97.02896	9.3
99.04471	2.8
103.03976	3.0
103.05473	47.9
104.05783	0.8
105.07037	0.9
109.02883	3.2
110.02182	0.7
117.05490	1.1
121.02876	1.1
127.03957	5.8
129.05527	0.8
130.04080	0.9
131.04935	100.0
131.16525	0.8
132.05261	3.2
133.06551	1.1
135.01088	0.7
145.04977	3.3
145.06395	1.0
146.06018	0.8
147.04436	1.2
147.06532	0.7
148.05199	14.1
160.05281	1.0
161.06020	3.9
162.06683	1.4
163.07547	50.4
164.07930	1.4
175.07683	0.7
184.07356	3.1
187.07614	0.9
201.09148	1.9
219.10255	0.9
230.93929	0.8
237.07515	1.0
237.11201	1.9
241.21623	0.8
335.05469	1.0
381.06082	1.8
399.12683	0.8
399.16260	7.5
399.20129	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54113	2.0
53.03961	4.2
55.01884	4.1
55.05522	20.0
57.03441	37.4
67.05517	15.1
68.99786	5.0
69.03437	5.5
69.07081	9.5
71.04990	4.6
71.30071	3.7
79.05498	19.3
81.03438	10.0
81.07064	23.7
83.04982	4.8
83.08631	7.2
84.04510	3.6
85.02914	4.1
85.06538	3.6
91.05482	21.2
93.07059	23.5
95.04998	8.4
95.08631	11.7
97.06550	14.9
99.04501	7.2
105.07063	16.7
107.04967	19.0
107.08603	15.4
109.02898	6.0
109.10192	9.8
110.01328	2.1
111.04475	3.7
111.08087	3.8
111.75272	2.4
115.05463	2.8
117.05505	5.2
117.07057	7.1
119.04975	2.6
119.08586	12.3
121.06512	16.1
121.10145	9.9
122.06097	2.6
123.04425	2.2
123.08080	5.9
125.09663	6.1
126.09185	3.6
127.03956	9.5
128.06235	4.5
129.05531	3.4
129.07045	4.4
130.04990	2.4
131.08592	8.8
133.06490	11.8
133.10129	9.3
135.08173	2.8
135.11716	3.7
137.02313	2.7
137.05942	2.7
137.09637	5.7
139.11177	3.0
142.26183	2.2
143.08578	5.6
145.06500	5.3
145.10173	6.8
147.04419	10.7
147.08076	9.2
147.11678	3.9
149.09630	3.4
149.13298	3.9
151.11101	2.5
152.35690	2.4
153.01836	56.1
153.07033	2.8
154.02238	2.5
155.10675	2.6
157.10149	3.9
159.08075	3.1
159.11729	5.1
161.06093	3.2
163.11264	4.1
165.01881	6.5
165.09081	2.1
167.99959	2.2
169.10202	2.8
173.09642	3.6
173.13264	2.9
175.03833	3.3
175.11197	2.7
184.05219	2.4
187.03941	3.1
195.13847	4.2
199.03996	5.3
199.07706	4.7
201.05405	3.6
201.09171	2.8
203.03409	4.1
213.14859	2.8
213.42577	2.5
215.07135	5.2
217.05049	3.3
219.17387	3.2
227.07056	6.4
229.04953	2.4
240.10286	2.4
241.14407	4.1
245.04529	6.2
245.13829	12.2
247.09776	2.5
249.14952	2.7
252.07974	2.4
255.06587	8.6
259.15448	16.0
267.15958	10.3
269.04495	9.6
270.05011	5.2
271.05975	3.9
271.17194	3.7
273.03976	5.3
274.47076	2.2
285.04010	4.6
297.04190	3.9
298.04517	3.6
299.05453	5.0
301.03525	7.9
302.04175	2.9
303.05103	6.2
307.09732	2.9
311.05606	5.5
313.03403	22.1
317.21136	3.5
325.07187	2.6
326.04147	5.4
327.04895	6.8
327.08682	2.2
327.19638	3.6
335.09082	3.2
339.05005	8.3
345.20605	14.3
353.10208	3.9
355.08154	44.9
356.08594	3.7
363.21689	5.0
366.07578	3.0
378.24573	2.7
381.09711	100.0
382.10117	11.5
382.14639	1.9
399.10782	66.3
399.19614	8.9
400.11102	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	399.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76868	1.1
53.03941	2.1
55.01868	1.4
55.05514	5.1
57.03428	2.8
57.07081	1.1
59.04991	1.2
61.02928	2.1
62.23106	1.0
65.03934	1.1
67.05503	6.6
69.03424	7.7
69.07063	5.0
70.55761	2.1
71.04988	10.9
76.85348	1.0
79.05489	8.4
81.03400	4.5
81.07055	16.9
83.04967	2.2
83.08615	1.7
85.02904	13.6
91.05476	11.9
93.07033	11.7
95.04971	3.9
95.08605	10.9
97.02911	5.3
97.06538	4.3
99.04453	1.7
99.08069	1.9
105.07027	35.4
105.93403	0.9
106.07355	1.6
107.08597	13.1
109.02886	1.6
109.06538	3.0
109.10144	10.5
111.04440	1.8
111.08054	1.9
115.05405	1.5
117.07002	4.8
119.08592	11.5
121.06563	1.5
121.10136	12.3
123.08064	1.2
123.11711	2.7
125.09604	8.1
127.03911	3.7
127.07541	1.1
127.11179	12.0
129.07018	1.7
131.08586	10.1
133.10127	59.0
134.10500	2.8
135.08081	3.2
135.11719	2.8
137.09616	8.5
139.11209	1.6
143.08574	1.6
143.10693	0.9
145.05000	1.5
145.10136	11.0
147.08115	1.5
147.11679	6.4
149.09615	3.2
149.13271	2.7
151.11212	3.5
153.09039	1.2
155.10664	5.8
156.96191	0.9
157.10091	3.1
159.11687	10.6
161.09555	1.1
161.13274	3.9
163.11201	3.2
173.13268	3.2
175.11249	2.6
177.12743	1.3
185.13277	1.3
186.13931	1.0
187.07591	1.0
201.05579	1.1
201.16357	13.0
219.17358	8.0
237.18564	2.3
295.18634	1.6
309.21869	1.0
313.19858	9.3
325.11032	1.1
337.19833	15.5
345.20569	1.5
346.65588	1.1
355.08145	8.1
355.20895	19.0
381.22900	2.2
399.19891	100.0
400.20276	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	400.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82478	1.0
63.00789	1.0
69.15508	7.8
85.65070	1.0
91.07488	1.1
93.36850	1.0
97.02832	0.9
99.98676	1.1
105.22445	1.1
146.30763	1.0
152.06978	1.6
171.91333	1.0
185.02846	1.1
203.05176	2.4
219.02550	2.1
220.03610	3.6
220.05693	2.2
236.14742	2.4
237.15114	1.8
238.05492	1.8
238.15457	1.7
245.04977	2.1
257.06964	1.1
266.87723	1.2
280.06644	1.6
297.32159	1.1
382.11212	8.1
400.09857	100.0
401.10358	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	400.1006
Annotation	Prolinalin B
Peak:m/z	Relative Intensity
56.96555	0.7
61.65698	0.6
69.38414	0.7
70.29088	2.0
116.98589	0.7
117.99102	0.6
136.06212	3.9
142.01788	1.3
184.02823	0.7
194.04924	1.0
220.03716	3.5
238.03868	16.1
239.04193	1.4
256.04968	8.0
268.10425	0.9
280.04904	10.0
298.05756	0.8
340.07111	2.4
400.09998	100.0
401.10287	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	400.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78022	0.6
56.96556	4.6
59.37228	0.5
67.05511	0.6
69.03437	1.6
71.28546	0.8
76.55467	0.5
81.03429	0.9
82.06576	2.8
84.08154	0.7
84.96036	0.9
85.02890	1.6
97.02877	2.0
98.97588	8.7
101.00906	1.7
108.04235	0.6
110.97563	3.0
116.98650	3.7
119.01933	1.8
127.02402	0.7
128.98621	3.2
131.01950	2.7
133.03482	1.0
134.06012	0.7
136.06160	2.9
136.93130	0.7
139.00769	0.7
143.00192	1.3
143.01930	1.9
143.05640	0.8
145.01717	0.6
145.03452	1.6
146.99583	1.0
147.01422	1.1
147.03287	0.5
147.66840	0.5
152.07079	2.1
154.03555	0.6
154.94182	0.9
155.01910	2.3
156.06477	0.7
157.03522	0.9
158.99658	2.1
159.03304	2.7
161.01233	0.7
161.02997	2.1
161.06555	0.6
166.03470	0.8
167.05615	0.6
168.05115	0.8
168.08589	0.6
170.02983	2.7
170.99678	0.6
171.05032	0.8
172.95247	1.3
173.02980	1.7
173.06633	1.2
174.01965	0.8
174.05190	1.0
177.00723	1.3
177.04382	1.3
180.05075	6.5
180.06548	1.4
180.37758	0.6
181.07016	0.5
184.04559	8.8
185.06607	4.4
185.08163	0.7
188.04053	4.8
189.02521	1.6
192.05090	2.4
194.06642	2.2
196.08229	0.7
197.06589	4.3
197.67065	0.5
198.03061	2.4
198.06065	4.6
199.08180	1.2
199.98598	0.7
200.98232	0.6
202.03726	0.7
202.05644	11.5
203.03867	1.1
203.05542	1.3
203.07570	0.6
207.03540	0.8
208.04567	2.1
210.02997	1.3
210.06120	7.8
210.07985	1.0
212.07677	10.1
212.09564	0.4
213.07893	1.0
214.09264	0.9
215.07666	0.8
219.01755	3.9
219.03587	1.6
220.04390	12.2
221.04991	5.0
222.05952	0.8
226.05522	0.9
227.07620	1.0
228.07268	1.1
230.08733	18.4
231.03563	3.0
231.08948	1.2
232.96539	0.7
233.06758	1.0
237.02815	5.9
238.05611	81.5
239.05780	7.5
239.07748	1.0
240.03973	0.9
240.07220	2.1
244.06686	0.9
250.04376	2.4
252.07202	0.8
256.06683	68.6
257.06729	6.8
258.09753	0.9
261.04700	0.6
261.07196	2.0
262.05579	0.8
264.07126	1.0
268.10446	1.1
275.09848	1.2
280.06699	49.2
281.06924	5.2
287.09753	14.6
288.09860	0.9
292.06738	1.3
298.07907	5.3
303.07523	3.5
304.07053	0.7
305.10742	6.9
309.57019	0.7
310.06494	7.8
310.56903	1.1
316.06647	1.3
321.08612	2.9
341.02991	2.7
364.08667	1.4
382.10858	14.6
400.11081	100.0
401.04947	13.8
401.11621	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	400.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43398	1.8
53.03967	2.3
55.01870	2.7
55.11573	2.1
57.03441	27.4
58.39461	2.0
61.02929	12.9
64.86387	2.0
69.03434	40.5
70.03757	2.1
70.06586	3.1
70.90012	3.7
71.04999	2.5
73.02922	66.7
80.62660	2.0
81.03429	6.3
85.02910	100.0
87.04476	4.5
91.03954	6.2
91.05482	2.6
93.07035	2.3
97.02897	50.4
99.04476	4.3
105.07070	2.3
109.02866	8.1
111.08093	4.8
115.03935	33.4
116.27269	2.6
127.03914	27.5
133.04964	11.2
133.10100	2.6
145.04961	50.0
150.07613	4.3
163.06030	31.2
175.48637	2.3
184.37605	2.2
191.97148	2.9
203.05388	2.0
223.06055	3.3
241.07149	3.7
246.05951	2.5
259.08124	2.7
301.12000	4.6
343.12955	5.8
400.12057	5.7
400.16437	6.7
400.20538	6.4
401.17365	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.6
57.03440	24.8
58.32747	1.9
61.02922	13.0
69.03427	28.7
73.02916	49.6
81.03419	8.3
85.02906	100.0
91.03984	2.8
91.05493	3.1
97.02894	37.9
97.06532	1.9
107.08600	2.2
109.02876	8.8
115.03922	27.4
127.03905	30.5
133.04977	8.4
145.04953	50.3
163.06013	26.2
209.23663	1.9
223.06062	4.2
239.12656	3.8
243.10736	1.8
251.14870	5.4
263.06732	1.9
400.16714	6.1
401.17917	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	400.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08421	1.3
55.01875	4.1
55.05516	1.5
56.41505	1.5
57.03435	31.4
60.06827	1.4
61.02914	10.6
67.05486	2.5
69.03049	1.5
69.03425	30.2
69.07063	2.3
69.36732	9.2
70.06572	2.0
71.01354	3.7
71.04985	4.1
73.02915	59.3
77.05440	1.4
79.05485	2.4
81.03421	7.4
81.07068	2.9
83.04993	1.7
83.08619	1.6
85.02904	100.0
86.50430	1.5
87.04464	5.8
91.03965	5.7
91.05472	2.4
95.04957	1.5
97.02890	52.6
98.03192	1.6
99.04462	5.4
100.11271	3.1
103.03957	2.8
107.08554	2.4
109.02885	8.5
109.06539	2.3
110.07133	1.5
111.04411	1.8
111.43050	1.5
112.77573	1.7
115.03923	41.4
119.08617	1.5
125.37379	1.5
127.03922	27.8
128.07077	1.7
132.06544	1.8
133.04962	14.7
136.95241	1.6
145.04955	57.5
145.06123	3.0
145.10182	1.6
146.05318	2.5
150.07613	3.8
163.06023	33.3
163.07364	2.8
182.15395	3.4
183.15775	3.1
193.04874	1.6
210.14838	3.2
211.15240	4.4
223.05974	2.0
238.11307	2.6
241.07109	4.0
251.14886	5.9
259.08139	3.3
267.35910	1.4
295.10211	3.3
338.21555	3.9
355.24286	2.2
382.17712	3.6
400.16388	24.3
401.17920	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	401.0093
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	7.6
60.27060	1.0
69.43710	3.3
69.44113	2.3
71.95266	2.1
75.85136	0.9
88.64022	1.0
98.23286	1.0
98.97585	100.0
99.97929	2.0
100.97196	1.5
100.98021	1.0
108.38713	0.9
114.33019	0.9
116.98630	44.9
118.98247	1.3
118.99034	1.1
134.99660	14.5
172.94383	4.3
190.95450	3.0
191.51273	1.1
214.95369	2.2
232.96466	5.5
240.98842	2.6
250.97545	1.4
256.96362	6.8
258.96860	1.9
258.99768	21.5
260.00021	3.2
260.99805	2.4
261.03064	1.2
274.97501	57.9
275.97852	7.2
276.97598	9.2
277.00858	27.3
278.00821	1.5
279.00739	2.8
284.99670	2.0
285.46280	1.1
292.98572	35.1
293.98807	4.6
294.98709	6.1
297.71909	1.0
297.99066	1.2
301.00989	1.1
303.00885	2.1
317.99033	1.0
359.03586	1.4
382.99530	1.1
401.01270	5.1
418.98410	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	401.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.9
55.01877	18.6
55.05513	25.4
57.03431	15.8
57.07071	13.9
59.04988	7.5
61.02924	13.0
62.90497	2.5
65.03941	4.1
67.05502	35.9
68.99789	24.8
69.03043	4.7
69.03426	91.9
69.07068	65.0
69.40260	4.1
69.40665	10.2
71.01349	5.6
71.04987	63.4
73.02905	5.9
75.04475	2.7
79.05070	3.3
79.05490	37.3
81.03416	67.1
81.06590	5.4
81.07058	86.8
82.03703	2.2
83.04971	10.4
83.08616	17.7
85.02902	100.0
85.06534	4.4
87.00830	49.4
87.04469	4.4
91.04903	3.0
91.05479	57.9
93.07040	63.4
94.47068	2.2
95.01320	2.4
95.04971	32.3
95.08601	46.0
97.02892	54.3
97.06550	13.2
99.04471	14.6
99.05011	2.3
99.08087	11.4
101.02388	3.8
103.03923	15.1
103.05443	5.7
105.01870	20.7
105.07033	65.8
105.07635	2.6
106.07353	2.6
107.04961	14.9
107.08590	66.4
109.02880	34.8
109.06512	91.1
109.10148	53.1
111.04456	16.1
111.08083	7.7
113.02342	3.0
113.05998	2.9
113.09679	2.8
115.03931	21.6
115.05435	7.1
117.01828	2.6
117.07016	21.5
119.04943	5.1
119.08576	71.8
121.06514	40.3
121.10136	28.1
123.04424	19.6
123.08070	23.9
123.11704	24.4
124.66399	2.2
125.05996	3.4
125.09607	4.3
125.13254	8.7
127.03907	35.8
127.07580	3.4
127.11209	11.3
128.06245	7.9
129.01860	18.3
129.06982	13.8
130.07777	7.7
131.04898	3.1
131.08549	35.9
133.06464	10.4
133.10132	24.4
135.04431	4.0
135.08060	19.9
135.11673	28.5
137.05962	5.7
137.09598	30.1
137.13210	9.9
139.07568	3.2
139.11194	4.2
142.07758	5.1
143.08582	14.0
144.09233	3.0
145.04970	6.0
145.06496	7.6
145.10120	36.8
147.02876	8.9
147.08067	23.6
147.11671	15.6
149.06047	3.1
149.09560	13.6
149.13239	5.1
151.07539	7.0
151.11171	22.7
153.06979	3.3
153.12723	20.9
155.08614	15.6
155.10660	3.9
156.09323	4.9
157.06487	5.3
157.10065	7.1
158.07251	5.2
159.02881	9.3
159.04387	3.8
159.08047	14.5
159.11693	15.5
161.02315	2.8
161.05911	2.5
161.09615	10.4
161.13268	8.5
163.03883	8.6
163.07576	7.4
163.11159	16.8
165.06989	4.7
165.09109	6.1
165.12747	40.5
167.08568	4.2
169.10153	5.8
171.02892	4.5
171.08061	7.3
171.11641	5.1
173.02364	11.3
173.06012	3.2
173.08218	4.3
173.09625	40.8
173.13214	11.3
175.07581	11.7
175.11159	10.8
177.09241	2.7
177.12749	37.4
179.14348	3.0
181.12204	5.2
183.11674	4.8
185.13275	2.7
187.03979	6.8
187.11165	2.8
187.14825	3.2
189.03992	10.9
189.09091	8.9
189.12794	11.7
191.10612	16.8
191.14375	4.5
193.08571	4.6
193.12190	11.4
195.13768	21.9
197.13303	6.9
199.03891	4.9
201.03932	12.0
201.05566	3.9
201.12689	16.1
205.12190	4.4
207.13806	8.0
209.11710	3.7
213.05457	6.1
215.14304	10.8
217.12305	3.2
219.04984	3.0
219.13791	16.0
225.12759	5.7
231.05023	7.7
231.13943	3.7
233.15364	9.0
237.14879	10.6
239.07004	4.3
239.10655	2.9
239.16380	5.0
243.13788	32.4
261.14874	45.5
262.15411	3.2
267.08890	2.4
268.37582	2.6
275.29056	2.6
278.76346	2.5
279.15842	6.8
285.10062	2.8
327.12299	2.9
347.14740	8.2
365.15869	10.0
383.17001	9.5
396.64896	2.4
401.10358	5.4
401.17969	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	401.1961
Annotation	Lintetralin
Peak:m/z	Relative Intensity
54.69930	1.7
59.04983	2.1
63.53086	1.6
67.05520	3.8
67.34534	1.6
69.03396	2.3
69.07063	3.7
69.22265	15.3
75.04486	2.2
79.05476	1.8
81.07040	3.5
83.08616	2.9
91.05490	4.2
93.07033	3.4
95.08611	3.3
98.22643	3.7
105.07021	3.8
107.08557	2.1
121.06536	2.4
121.10128	2.5
122.26118	1.9
125.09618	2.4
131.08540	2.5
145.10168	1.9
159.07986	2.6
187.07472	1.9
191.10648	2.4
195.07973	3.4
197.05954	2.9
201.09123	2.7
211.07538	3.6
213.09090	1.9
215.07112	2.1
219.08051	2.3
219.10040	2.6
224.04764	2.2
224.08235	2.0
225.05414	2.8
225.09079	3.8
227.07059	5.5
228.07715	4.2
229.08615	4.2
233.09592	2.3
235.07503	2.6
235.11230	5.5
236.08279	3.0
237.05356	2.0
237.09016	4.9
238.06262	4.7
239.07002	5.4
240.07741	6.5
241.04883	2.2
241.08583	7.9
243.06534	11.2
248.08400	2.1
249.09085	3.7
249.12585	2.2
251.06982	3.1
251.10692	5.7
252.07854	1.8
252.11624	4.0
253.08607	8.9
254.09306	4.8
255.06606	9.3
255.09883	1.8
256.07285	4.1
257.08069	8.7
258.08881	5.0
259.06137	2.8
261.09006	2.5
262.09900	3.3
263.10693	6.9
264.11462	7.1
265.08612	8.8
265.12256	2.2
266.09326	2.2
267.06570	9.8
267.10059	8.5
267.13339	1.8
268.07330	5.2
268.10696	4.1
269.04691	1.9
269.08029	7.8
270.05344	3.3
270.08810	8.3
271.06030	6.9
271.09570	5.1
272.06784	3.7
274.08270	2.3
277.08633	4.1
277.12018	3.9
278.09491	2.7
278.13055	3.7
279.10172	16.5
279.13724	5.1
280.07703	2.7
280.10898	10.5
281.08078	10.1
281.11261	3.2
282.06003	2.1
282.08725	12.2
283.06140	2.9
283.09610	4.5
284.10345	4.6
285.07574	9.1
285.11099	6.6
286.08356	10.2
287.05661	4.4
287.09052	7.3
291.10092	10.7
291.22519	2.4
292.10953	7.9
293.08032	5.2
293.11578	8.3
294.09201	2.0
294.12393	8.5
295.09839	3.7
295.13187	22.3
296.10413	13.2
296.13721	5.1
297.07648	7.5
297.10934	3.2
298.08374	9.4
299.09152	16.1
299.12341	3.8
300.09799	3.2
301.07388	2.8
301.10690	12.8
302.07886	7.6
303.08566	6.4
305.11743	5.0
306.12491	11.4
307.09595	9.1
307.13242	8.2
308.10376	7.0
308.13831	3.7
309.11166	9.3
309.14853	14.6
310.15463	3.7
311.09213	3.8
311.12680	5.8
312.09918	10.1
312.13150	2.2
313.07455	3.1
313.10736	26.6
314.11459	13.6
315.08554	5.9
315.12042	3.1
316.09241	3.5
317.10190	29.7
318.10956	31.1
321.11227	2.7
322.11990	7.9
323.12796	42.1
324.10120	2.5
324.13425	11.6
325.10565	4.4
325.14194	2.5
326.15039	4.3
327.12228	23.2
327.15933	6.5
328.12952	14.0
329.10062	4.2
329.13589	2.4
330.10983	5.2
331.11719	11.1
332.12503	30.9
333.13254	11.2
337.14331	55.0
338.15103	34.0
339.12543	13.5
339.15671	13.7
340.13000	6.8
341.14023	2.9
341.17514	17.5
344.12640	5.2
345.13339	25.0
346.13919	5.3
351.15714	2.3
352.16638	3.8
353.13824	2.4
354.14548	11.5
355.15378	31.5
356.15927	4.0
357.13306	3.7
358.14163	2.0
359.14853	26.2
369.16977	59.5
370.17728	86.9
371.14313	4.1
371.18167	8.1
372.15457	3.9
386.17120	17.0
387.17242	2.2
401.19540	100.0
402.19797	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	401.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.4
63.34411	0.3
67.05495	0.9
69.03426	0.5
69.07068	0.6
69.82227	0.3
69.82561	1.2
79.05481	0.6
81.03405	1.3
81.07052	0.5
85.02881	0.3
91.05466	0.9
93.07043	0.9
95.08601	0.8
97.02897	0.6
97.06489	0.6
105.07058	0.6
107.08594	0.5
110.22938	0.3
112.20982	0.3
119.08604	1.4
121.10123	0.7
129.38753	0.4
137.09558	0.3
149.40331	0.3
163.03908	1.0
165.09221	0.4
173.02324	1.2
187.03883	0.6
283.09528	0.5
313.16177	11.1
314.16730	0.5
401.21445	100.0
402.21744	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	401.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.5
55.01871	0.6
55.05042	0.4
55.05518	0.9
57.03441	0.8
59.79031	0.5
60.78395	0.4
65.01566	0.4
67.05497	1.8
69.07097	1.2
70.28529	0.5
70.74710	0.4
71.30994	0.8
79.05499	1.9
81.03407	2.5
81.07056	2.4
83.04973	0.6
83.08612	0.6
89.72618	0.5
91.05450	2.9
93.07060	1.9
95.04958	0.6
95.08617	1.4
97.06524	0.6
105.07025	1.6
107.08582	0.8
109.02867	0.7
109.10147	0.6
117.07076	0.7
119.08587	1.8
121.06539	0.5
129.06935	0.5
131.08514	0.6
132.31174	0.6
133.02876	0.7
133.10110	0.9
135.04366	1.0
135.08020	0.7
137.09613	0.6
141.06966	0.7
147.08020	0.7
149.09621	0.6
159.11632	0.7
161.02315	0.7
161.09503	0.7
163.03900	3.0
173.02332	1.4
173.13464	0.6
187.03902	0.7
199.03864	0.9
199.11028	0.5
267.69980	0.5
283.09714	0.6
309.11087	0.9
401.16495	3.8
401.21423	100.0
402.16333	1.0
402.21646	8.0
420.82959	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	10.2
55.05517	52.0
57.03436	24.6
67.05515	63.2
68.79755	9.7
68.99828	9.9
69.03427	48.9
69.07074	37.4
69.22675	10.7
69.23274	69.6
71.04986	22.9
74.30443	10.9
79.05490	58.8
81.03416	37.1
81.07058	83.6
83.04995	25.5
83.08628	26.9
85.02906	43.1
85.06564	11.2
91.05482	64.0
93.07048	76.8
94.43875	10.6
95.04973	36.8
95.08610	73.1
97.02879	24.8
97.06527	73.8
97.10184	11.7
99.04464	14.3
99.08119	9.8
100.11264	11.8
105.07048	48.4
106.43616	9.9
107.04964	19.4
107.08608	63.6
107.93111	9.8
109.02934	20.8
109.06545	15.4
109.10181	53.1
111.04432	12.5
119.08580	68.3
121.06532	16.5
121.10146	35.9
123.08091	22.3
123.11717	45.0
125.01566	37.0
125.09590	18.2
127.03940	38.5
128.06252	18.7
131.08528	15.9
133.06551	11.0
133.10161	31.1
135.08060	10.5
135.11693	49.8
137.06010	15.5
137.09601	13.8
137.13237	11.6
145.10138	21.5
147.11700	18.2
149.09671	15.5
149.13293	25.2
151.07600	12.3
153.01871	11.9
153.06888	10.9
157.10144	12.4
159.08119	13.2
159.11671	25.1
161.06027	11.8
161.09549	12.4
163.03903	16.7
163.11186	14.8
163.14845	15.1
165.07043	16.6
165.09163	13.4
173.02400	23.3
177.09267	11.0
183.20525	13.2
184.05157	11.0
185.09763	12.9
185.86676	12.7
187.03952	22.5
197.05978	18.6
201.05452	28.0
203.18034	12.8
205.19533	11.1
211.07504	13.1
213.05507	28.5
219.79079	10.8
221.19006	18.1
223.75284	9.5
225.05446	11.1
226.91754	9.9
228.74774	9.2
240.07747	14.0
241.08652	17.6
257.08093	12.7
267.09012	13.7
285.10001	15.9
297.18958	15.0
315.03925	13.8
333.39673	10.2
383.10959	35.9
383.24255	15.2
401.11160	100.0
401.15833	21.8
401.24704	28.3
402.20313	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	401.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.5
55.05505	12.1
57.07073	10.5
57.07347	3.1
59.27935	2.9
60.70669	2.6
65.03927	3.5
67.05500	23.0
69.03425	3.3
69.07060	15.6
69.36056	14.9
71.04993	11.0
71.08620	5.8
73.53465	2.9
77.34979	3.3
79.05498	24.3
80.28528	2.8
81.03425	6.7
81.07051	39.7
83.08605	7.1
85.02884	3.3
85.10168	3.2
91.05479	49.2
93.07042	52.8
95.04953	12.8
95.08598	30.5
103.05470	4.4
105.07034	88.5
107.08595	40.5
109.02866	3.5
109.06517	62.3
109.10133	19.7
111.08102	6.3
115.05495	7.1
117.07020	31.2
119.08584	80.3
121.10126	22.1
123.08078	5.6
123.11726	6.7
125.62217	2.5
127.03966	3.7
128.06226	12.7
128.07138	2.7
129.07040	24.1
130.07802	10.7
131.08571	65.3
133.10129	95.1
134.10472	3.8
135.08073	16.3
135.11700	22.8
137.09619	5.2
141.07005	12.0
142.07767	31.8
143.08586	42.2
144.09293	9.3
145.10120	100.0
146.10477	5.6
147.08054	10.8
147.11671	16.7
149.09627	6.2
149.48853	3.1
153.06969	5.4
154.07803	3.6
155.08549	21.1
156.09366	21.6
157.10126	67.7
158.10905	15.9
159.08072	3.2
159.11696	36.8
160.12076	4.1
161.09628	4.6
165.07007	6.5
167.08539	11.5
168.09297	8.3
169.10156	29.1
170.10844	11.4
171.11681	34.5
172.12291	4.6
173.13271	41.5
175.11148	3.4
175.14867	11.4
179.08601	13.2
180.09375	5.5
181.10178	22.8
182.10962	11.8
183.11696	24.5
184.12456	5.9
185.13260	18.2
187.11232	4.1
187.14821	40.0
192.09302	4.2
193.10109	13.2
194.10936	11.0
195.11696	25.7
196.12576	4.9
197.13272	17.8
198.13896	3.6
199.14784	20.4
201.12732	9.9
201.16275	3.7
206.10883	10.5
207.11662	15.5
208.12418	5.3
209.13206	24.0
210.13837	3.1
210.98846	3.3
211.11060	3.1
211.14783	7.8
213.12708	5.2
217.09981	3.5
219.11679	4.6
220.12617	3.4
221.13203	19.7
222.14003	3.5
223.14809	14.2
233.13161	7.0
234.14043	5.0
235.14778	8.0
236.15289	3.4
237.16432	10.1
239.17885	5.8
246.13728	3.8
247.14755	4.7
249.16537	4.1
251.17979	9.1
259.14722	4.2
261.16397	5.7
263.17804	5.3
265.19562	11.7
275.18008	4.5
277.19522	5.4
278.20300	3.9
279.20862	3.7
317.22629	3.6
343.24451	4.0
383.27203	5.8
401.28351	43.1
401.38086	4.6
402.39282	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	401.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	5.5
53.45747	2.8
55.01870	2.6
55.05518	17.9
57.03442	6.8
57.07078	100.0
61.61387	2.7
62.13849	2.7
67.05506	40.7
69.03433	24.1
69.07075	21.4
71.05000	4.7
71.08634	65.4
71.30286	3.1
73.02888	2.9
78.49133	3.0
79.05495	5.8
81.03423	24.8
81.07068	46.5
83.08624	38.7
85.02906	22.9
85.10184	37.4
87.04464	3.7
88.54128	2.7
91.05487	7.2
91.31610	2.4
93.07060	13.0
95.08610	78.8
95.65356	2.5
97.02904	12.7
97.10163	20.6
98.28554	3.0
99.04468	7.4
105.07054	9.2
107.08607	4.2
109.02870	13.5
109.06496	4.9
109.10152	31.9
111.11735	3.9
117.06993	3.1
119.08590	11.2
123.11689	15.5
125.13297	4.1
127.03925	21.2
128.06316	2.7
129.07030	3.4
131.08594	5.2
133.10129	6.0
137.13235	7.8
143.08682	3.0
145.04968	6.8
145.10132	6.0
151.14824	4.7
157.10229	5.0
159.11742	4.2
161.09631	3.1
175.98366	2.9
187.11063	4.5
213.12845	3.2
239.11769	7.7
239.23718	31.8
240.24013	4.0
257.24734	5.5
266.09045	2.5
267.11090	3.2
271.14749	3.3
313.15442	14.0
341.14899	16.3
383.27670	10.0
390.63547	3.2
396.13248	2.9
401.17203	4.3
401.28189	5.9
401.38104	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	401.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99460	0.6
51.02390	0.7
53.00316	1.1
53.03946	4.4
55.01860	1.1
55.05513	15.9
57.03439	5.7
57.07077	100.0
58.07406	1.4
61.02939	1.1
67.05507	33.5
68.14842	0.8
69.03043	0.9
69.03431	24.6
69.07072	23.7
71.04993	4.2
71.08633	75.6
72.08974	1.3
73.02913	1.9
76.48231	0.7
79.05504	2.4
81.03420	23.4
81.07058	47.2
82.07400	2.0
83.08619	33.4
85.02906	28.6
85.06556	1.5
85.10184	41.6
86.46907	0.8
86.95928	0.8
93.07036	1.9
95.08607	70.2
96.08942	1.7
97.02895	17.9
97.10172	19.1
97.10775	1.2
99.04467	10.1
99.11737	3.5
101.02419	1.1
109.02877	10.7
109.03568	0.8
109.10159	33.7
111.11732	4.6
113.13319	1.6
116.77420	0.7
119.08643	1.0
119.36636	0.7
121.10178	0.9
123.11712	15.4
125.13313	2.9
127.03920	20.3
130.42876	0.7
133.10109	0.9
137.13245	7.3
139.14830	1.5
143.08574	0.7
145.04967	8.1
151.14868	2.4
165.16478	2.7
208.28687	0.8
221.22696	3.7
239.23705	33.1
240.24110	2.2
257.24863	2.5
258.25595	0.8
301.37033	0.8
341.26929	1.3
383.27859	7.7
401.29025	1.7
401.38416	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74973	0.9
53.03943	5.9
55.01876	1.1
55.05509	13.5
57.03429	5.6
57.07075	100.0
59.51371	1.0
61.02918	1.6
67.05141	1.2
67.05502	29.6
69.03430	41.7
69.07067	22.4
71.04988	3.9
71.08630	69.6
72.08960	1.1
79.05484	3.1
81.03415	38.0
81.07056	44.4
83.08617	32.4
83.72399	1.1
85.02905	47.1
85.10179	39.0
87.04452	3.4
89.06042	1.1
93.07059	1.3
94.17757	1.0
95.08603	68.5
96.08912	2.1
97.02898	23.0
97.10166	17.2
99.04443	7.0
99.11713	2.8
105.06999	1.6
107.08598	1.6
109.02875	24.7
109.06552	1.2
109.10150	30.7
111.11708	5.2
113.13301	1.6
115.03841	1.1
119.08569	2.2
123.11707	13.7
125.13274	4.1
127.03910	37.3
137.13252	7.7
139.14748	1.2
145.04953	3.4
145.10083	1.5
151.14796	3.1
159.11546	1.1
161.56966	1.0
165.16367	3.1
221.22641	3.0
239.23676	26.9
240.23965	2.0
256.81244	1.1
257.24701	4.1
383.28000	8.4
401.28366	3.7
401.34268	2.2
402.39282	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	401.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
55.01871	1.5
55.05513	16.9
57.03436	4.9
57.07076	100.0
58.07403	1.5
61.02925	1.1
67.05505	36.6
68.05830	0.8
68.18167	0.5
69.03431	20.5
69.07067	23.2
70.06609	0.7
70.07410	0.7
71.04993	2.6
71.08632	75.8
72.08974	1.1
73.02915	2.2
76.94164	0.5
79.05479	2.6
80.69806	0.5
81.03419	20.2
81.07056	49.2
82.07407	1.0
82.81352	0.5
83.01339	0.8
83.04972	0.5
83.08618	35.0
84.39867	0.5
85.02905	29.5
85.06531	1.5
85.10182	39.5
87.04468	1.1
88.07632	1.5
89.06001	0.6
93.07043	2.9
95.04955	0.5
95.08606	71.5
96.08940	2.7
97.02890	15.2
97.06580	0.7
97.10171	16.0
98.10548	0.8
99.00800	0.7
99.04453	9.1
99.08093	0.9
99.11733	2.8
101.02380	0.8
103.07558	0.6
107.08601	0.6
109.02883	11.0
109.10157	35.8
110.10513	1.2
111.11720	4.5
113.13284	1.2
119.08588	0.7
121.10122	1.0
123.11706	15.3
124.12148	0.6
125.13272	3.3
127.03910	22.0
127.14809	1.1
137.13258	6.9
139.14830	0.8
145.04942	7.4
151.14819	3.2
157.84200	0.5
165.16348	2.4
177.12764	1.0
179.18013	1.0
200.18842	0.6
221.22603	3.6
226.95332	0.6
239.23698	36.2
240.23918	2.3
249.80841	0.6
257.24677	2.2
261.37695	0.5
339.34207	0.6
340.35538	1.0
341.26703	1.5
383.27963	6.8
384.28156	0.9
401.17700	1.0
401.22684	0.8
401.28281	1.7
401.37988	3.4
402.39178	2.2
406.80585	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.01857	1.3
55.05515	0.7
57.03441	1.4
57.07074	5.3
61.02919	0.5
65.03922	1.0
66.64167	0.5
67.05491	1.8
69.03430	4.1
69.07082	2.7
69.17045	2.8
69.17448	1.0
71.04979	0.6
71.73623	0.4
79.05497	4.5
81.03419	6.0
81.07034	0.9
83.04984	1.2
85.02917	3.0
89.03905	1.2
91.05441	0.8
93.07063	0.9
93.68250	0.6
95.04947	1.4
95.08601	0.7
95.13105	0.5
97.02891	2.7
97.06526	18.4
99.04409	0.8
105.07015	0.6
107.08559	0.8
109.02849	1.1
117.03383	1.9
117.31789	0.5
119.08533	0.7
121.02870	2.8
127.03938	1.7
128.06175	0.5
129.07037	0.6
131.04982	0.7
131.07552	0.5
131.08521	0.5
135.04411	3.5
145.02849	1.7
149.02338	100.0
150.02673	3.5
152.06155	0.5
157.06459	0.5
159.04483	1.3
161.02332	3.1
163.03902	11.9
163.05194	1.0
167.03418	8.3
167.08496	0.6
173.02333	7.1
177.05577	0.6
184.05177	0.5
185.05966	0.9
187.03986	0.6
191.03415	1.0
195.08119	0.8
205.08553	1.1
212.04707	0.7
213.09106	1.1
215.07014	7.7
215.14081	0.7
217.04947	1.9
223.09633	9.6
241.08595	12.5
256.18973	0.8
259.09644	18.0
343.12796	1.3
371.12189	0.9
402.12347	0.5
402.18201	0.8
402.27286	7.4
403.13980	10.7
413.21310	0.5
419.09766	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
55.01880	1.0
55.05496	0.8
57.03445	1.1
57.07076	4.7
65.03916	1.2
67.05511	1.5
69.03436	4.4
69.07068	2.8
71.04982	0.6
71.30492	0.8
72.18553	0.7
79.05500	3.6
79.07858	0.7
81.03426	6.2
85.02912	2.4
89.03915	0.9
95.04977	1.5
97.02888	2.6
97.06535	20.7
99.04453	0.7
99.78079	0.7
117.03387	2.0
121.02851	3.4
127.03925	0.8
130.04993	0.7
133.02852	1.0
135.04401	2.6
145.02843	3.1
145.04973	0.6
149.02347	100.0
150.02711	3.0
159.04401	1.7
161.02309	4.0
163.03906	14.3
167.03419	7.2
167.08574	1.2
173.02341	7.6
176.65594	0.6
205.08755	1.3
213.09106	1.2
215.07011	10.6
217.05038	1.0
223.09642	9.4
229.09544	0.7
241.08553	9.9
259.09656	20.4
272.15372	0.9
322.97946	0.7
343.12769	1.3
371.12112	0.9
402.20764	1.6
402.27286	3.4
403.13998	11.8
403.18958	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	55.1
67.05504	73.9
69.07062	80.4
69.41150	100.0
69.41564	46.4
72.83813	25.5
79.05489	49.8
81.03397	27.0
81.07059	76.8
83.08634	24.2
85.06593	22.2
90.53200	19.2
91.05489	59.5
93.07052	45.1
95.04987	28.3
95.08588	42.5
97.10185	46.2
105.07005	54.7
107.08597	57.9
109.10162	30.9
117.07062	26.5
121.06474	21.7
121.10064	24.9
125.09616	37.8
131.08537	19.9
145.10120	22.8
149.09612	24.3
159.11743	23.2
189.11302	39.7
194.15254	25.2
205.23422	26.2
239.58485	22.1
241.83601	21.2
275.19958	28.9
286.19919	33.1
373.09357	28.7
403.14136	28.2
403.24942	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	55.1
67.05504	73.9
69.07062	80.4
69.41150	100.0
69.41564	46.4
72.83813	25.5
79.05489	49.8
81.03397	27.0
81.07059	76.8
83.08634	24.2
85.06593	22.2
90.53200	19.2
91.05489	59.5
93.07052	45.1
95.04987	28.3
95.08588	42.5
97.10185	46.2
105.07005	54.7
107.08597	57.9
109.10162	30.9
117.07062	26.5
121.06474	21.7
121.10064	24.9
125.09616	37.8
131.08537	19.9
145.10120	22.8
149.09612	24.3
159.11743	23.2
189.11302	39.7
194.15254	25.2
205.23422	26.2
239.58485	22.1
241.83601	21.2
275.19958	28.9
286.19919	33.1
373.09357	28.7
403.14136	28.2
403.24942	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1386
Annotation	4,2'-Dihydroxychalcone 4-glucoside
Peak:m/z	Relative Intensity
50.01568	0.4
51.02361	0.6
52.02515	0.3
52.29297	0.4
53.03950	3.2
55.01872	3.7
55.05511	2.9
57.03435	2.7
61.02876	0.4
63.02358	0.6
65.03912	1.5
67.05506	11.5
67.05843	0.4
69.03430	10.4
69.07068	4.1
69.56340	2.1
71.01321	1.0
71.04951	1.6
77.03921	1.0
79.05494	12.6
80.06265	0.7
81.03420	10.1
81.07059	2.3
81.77428	0.4
83.04981	7.1
83.08584	0.4
85.02904	4.0
89.03920	7.1
91.05430	1.3
93.07020	0.6
95.04371	0.7
95.04971	9.8
95.08575	0.7
96.05784	1.8
97.02894	16.6
97.06528	10.8
99.04421	1.6
101.02312	0.8
103.05460	1.0
105.03368	0.8
105.04471	1.4
105.07016	0.6
107.04957	2.3
109.02833	1.4
109.10197	0.4
115.05428	1.7
117.02631	0.6
117.03390	8.3
119.04889	0.5
127.03922	2.9
127.05423	0.4
128.06194	1.3
129.03282	0.4
129.07024	2.6
131.04950	2.2
131.08549	0.4
133.02858	2.1
133.06532	0.5
134.03642	4.9
135.03375	0.6
135.04417	11.6
136.04738	0.4
141.06967	1.4
142.07831	2.2
143.04922	2.1
143.08548	0.5
144.05611	0.7
145.02837	10.7
146.03540	0.7
147.04373	2.0
152.06223	2.4
153.06932	0.4
155.04828	1.0
155.06056	0.5
156.05708	3.0
157.02817	1.0
157.03963	0.5
157.06502	3.0
157.10100	1.2
159.04425	2.8
161.02318	1.9
161.06026	0.5
162.03120	1.4
163.03903	39.9
164.04207	1.3
165.06979	1.4
167.08568	3.6
169.06462	1.9
170.07198	1.8
171.04387	1.6
171.08011	1.1
173.02293	1.4
173.05962	0.6
175.03983	0.5
177.06889	0.6
181.06451	1.0
183.04445	0.7
183.08099	0.5
183.10196	0.4
184.05200	5.7
185.02388	0.9
185.05948	2.2
185.09601	2.5
187.03902	1.3
191.03355	3.3
195.08028	5.1
197.05966	1.3
198.06757	2.3
199.03967	3.2
199.07533	1.6
200.04703	0.5
201.05386	0.4
204.04121	0.6
212.04620	1.2
213.05548	0.5
213.09099	6.3
215.07033	1.4
217.04962	17.2
223.07538	1.1
226.06189	0.5
241.08589	100.0
242.08952	6.2
245.38441	0.4
259.09653	19.9
260.10071	1.0
306.07220	0.5
343.11917	0.5
361.09192	0.4
385.12827	2.5
398.86325	0.3
403.13895	21.1
403.18842	0.8
404.14282	2.1
406.90305	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
55.01860	1.5
55.05505	2.8
57.03427	1.4
65.03941	0.8
67.05503	4.0
68.99791	1.4
69.03426	10.7
69.07067	3.2
70.34529	1.5
71.04986	1.8
79.05494	8.7
81.03416	8.9
81.07050	6.7
83.01324	1.3
83.04970	3.7
84.08212	0.4
84.97581	0.4
85.02908	2.2
87.00820	3.3
91.05475	6.4
92.05790	0.5
93.07047	4.6
94.68199	0.5
95.04972	3.0
95.08589	2.5
97.02896	2.8
97.06535	7.8
99.04437	1.3
103.05489	0.7
105.07023	9.0
107.04945	4.5
107.08591	23.5
108.08884	0.7
109.02880	10.1
109.06504	3.3
109.10147	7.1
111.08094	0.4
112.03957	0.6
115.05447	2.1
117.07013	3.0
118.07780	1.0
119.08580	4.2
121.06507	2.5
121.10145	12.6
122.07287	6.6
122.10478	0.5
123.04427	0.5
123.08082	1.5
127.03912	35.1
128.04254	0.6
129.06985	0.9
131.08551	3.1
133.10123	100.0
134.10469	3.7
135.04419	0.9
135.08041	8.3
135.11673	1.2
137.09608	54.9
138.09947	2.0
143.08566	1.7
145.10139	1.9
147.04457	0.6
147.11644	2.8
149.09624	5.7
149.13251	7.9
152.06158	0.5
158.10887	1.4
159.08081	0.8
161.02359	0.9
161.05884	0.7
161.09587	0.6
163.03943	3.0
163.11269	0.6
163.14790	1.7
167.08569	0.9
169.04944	0.5
171.02925	0.8
171.04417	1.1
171.08064	0.5
173.02353	1.8
173.05946	0.6
173.13260	6.3
175.11255	0.5
184.05191	1.2
185.05902	0.5
185.09610	0.6
187.03873	0.6
187.07640	0.5
187.11183	0.7
189.12715	1.0
191.14296	46.1
192.14658	3.0
195.08090	1.3
197.05963	0.6
199.07550	0.8
200.04617	0.6
212.04643	1.4
213.03909	8.4
213.09081	2.4
213.12650	0.6
215.07037	3.6
217.08766	0.5
224.12894	0.8
241.08591	4.8
259.09628	5.3
281.15210	0.6
299.16354	1.7
317.17383	2.3
335.18488	0.7
385.12195	0.5
399.15070	0.6
403.13220	3.2
403.17734	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2479
Annotation	Macrolactin K
Peak:m/z	Relative Intensity
53.03938	4.5
55.01870	12.8
55.05509	86.3
57.03438	3.8
57.07067	2.0
58.41599	1.9
58.95127	1.7
59.04988	3.0
65.03959	2.5
67.05502	43.7
69.03432	4.8
69.07062	18.5
70.08383	2.0
70.34905	5.8
70.35246	2.1
71.04980	4.5
75.51723	1.8
79.05486	61.6
81.03407	2.3
81.07053	42.0
83.04971	6.4
83.08615	43.5
85.06532	5.0
91.05473	31.3
93.07027	18.1
95.04957	8.2
95.08586	12.6
96.43618	2.0
97.06544	4.6
97.09535	4.2
97.10161	73.8
101.09578	2.4
103.05466	15.0
105.03397	3.5
105.07027	27.2
107.04954	6.0
107.08593	37.2
109.06499	4.9
109.10159	9.2
111.04476	2.3
112.03970	2.3
115.05452	8.7
116.06268	2.5
117.07004	30.6
119.08579	17.7
121.06512	3.7
121.10146	5.8
123.08064	5.4
125.09620	66.4
126.09933	2.5
128.06218	4.8
129.06996	25.1
131.04913	14.0
131.08553	26.1
133.06470	14.7
133.10146	5.7
135.08034	10.1
137.09631	3.9
141.06960	10.7
142.07784	2.4
143.04907	2.5
143.08556	14.4
143.10637	4.5
145.06490	24.6
145.10089	9.8
147.08063	6.9
147.11649	4.3
149.09631	4.7
153.07033	2.6
153.09067	6.6
154.07716	3.0
155.08540	13.9
157.06506	8.9
157.10175	6.2
159.08034	12.4
159.11685	6.2
161.05983	2.7
165.06956	2.4
167.08548	8.2
169.10121	9.1
171.08029	7.9
171.10271	2.6
171.11670	7.0
173.09674	2.6
181.10158	3.7
183.11702	5.4
183.27994	2.2
185.09639	3.3
185.13300	5.8
187.14799	17.4
189.11212	51.0
189.12857	2.8
190.11514	3.2
195.11555	5.5
197.13243	16.0
199.11169	3.3
209.13199	3.2
211.11134	2.4
213.12706	7.9
215.14305	100.0
216.14621	6.5
217.12167	2.6
223.11205	2.5
225.12801	3.1
227.14159	2.4
231.13795	4.9
233.13316	2.5
233.15395	9.2
237.12697	2.5
241.12213	10.8
243.13902	2.6
253.84061	1.9
255.13857	4.3
257.15353	3.5
259.13303	8.6
266.47412	1.8
266.98981	2.1
273.14911	2.9
312.63251	2.2
321.21774	3.2
331.20483	2.9
339.23285	11.0
349.21603	24.1
367.22668	74.3
368.23032	8.3
385.23691	64.5
386.24081	6.8
403.24796	71.0
404.25101	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	404.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01867	1.6
57.03436	1.7
59.24284	0.7
61.02913	1.5
65.03936	1.1
67.05506	1.6
68.05013	0.8
69.03432	11.7
69.07108	0.7
70.06578	2.9
70.89623	0.6
70.89951	1.4
71.01353	1.3
71.04975	1.4
72.08157	1.0
73.02920	1.9
79.05488	1.2
81.03419	8.8
81.07050	1.2
83.04956	0.7
84.04521	4.0
85.02908	11.1
85.40709	0.7
86.06058	1.1
86.09699	1.2
87.04486	1.1
91.05477	18.4
95.04935	1.2
96.04498	1.3
97.02895	13.3
98.06065	2.5
99.04456	3.7
105.07055	1.8
109.02872	3.4
112.03959	3.4
113.02342	1.0
113.04272	1.4
119.04948	35.6
123.08097	1.1
123.11723	2.0
127.03903	6.3
130.05002	1.8
142.08675	0.8
145.04926	1.7
147.04411	100.0
149.06038	0.9
156.10185	2.2
157.03969	1.5
159.04274	0.7
163.03937	1.0
164.04736	1.0
165.05501	2.1
169.06522	0.8
175.03909	18.9
177.01801	1.1
179.06900	0.8
180.08649	1.2
192.04129	6.1
193.04681	0.9
196.06055	1.6
197.06232	1.4
207.06526	48.1
207.13783	1.5
208.06798	2.5
225.07602	15.5
226.08041	1.0
241.08209	1.0
242.08394	1.7
256.92566	0.6
257.09595	1.4
267.27795	0.8
309.09631	1.3
360.20016	1.1
387.11609	0.8
404.14734	1.7
404.19632	1.4
405.11847	3.5
405.17038	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	15.5
64.79002	1.1
66.96967	1.1
67.05502	1.1
69.46478	2.7
69.46909	4.0
70.67388	1.1
70.99577	1.1
71.95247	1.9
72.09719	1.0
79.05473	1.2
81.07043	1.4
93.07031	1.1
94.04203	2.5
98.97583	85.7
116.98619	60.3
122.03620	5.1
130.96199	1.3
134.99657	30.2
137.05984	45.5
138.06332	1.4
140.00200	3.8
142.20288	1.4
147.11630	1.2
153.00676	4.1
158.01233	2.6
162.20180	1.3
179.00244	1.2
197.01221	2.9
199.96968	1.0
211.02850	1.8
213.27797	1.1
220.00385	3.0
224.09628	1.6
226.11143	18.8
235.02768	60.6
236.03078	1.6
238.01462	2.8
244.12263	9.7
253.03844	100.0
254.04350	5.1
268.12244	2.6
271.04910	5.5
276.05426	10.0
329.12936	2.0
344.15207	8.1
404.17444	68.1
405.17664	4.4
405.22537	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	404.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.4
55.01867	6.0
55.05513	3.8
61.02907	3.1
64.23717	1.9
64.61496	1.9
67.05511	9.2
69.03428	17.0
69.07056	2.7
71.05000	16.9
73.59141	2.0
75.74859	2.0
79.05505	8.6
81.03415	5.5
81.07069	36.8
82.23121	1.9
85.02901	24.4
85.06560	3.1
91.05478	20.5
93.07049	31.8
95.04981	4.5
95.08592	5.4
97.02896	26.4
97.06548	6.0
99.04459	44.5
105.07032	50.0
107.04988	2.7
107.08604	15.6
109.02883	5.0
109.06491	9.4
109.10146	2.7
111.08077	23.9
112.42911	1.9
113.05998	1.9
119.04934	4.0
119.08607	5.8
121.06509	8.4
127.03919	4.4
128.06244	4.5
131.08571	2.5
133.06511	6.5
133.10130	84.8
134.10471	2.8
135.11674	3.2
137.05975	13.2
139.11172	2.3
143.08545	9.7
145.04984	4.3
145.10114	2.1
146.07286	5.7
147.04480	3.1
151.07550	5.4
151.11163	7.9
161.09622	87.9
162.09944	4.5
163.03806	3.4
163.11137	13.7
171.08102	3.2
179.10674	44.0
189.09106	36.1
207.10193	21.3
216.07486	2.0
225.11208	100.0
226.11391	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	404.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.0
55.01867	7.5
55.05519	5.0
59.23388	2.8
67.05498	13.0
69.03436	15.2
69.07084	5.0
69.50970	16.5
71.04987	9.3
75.32967	3.0
79.05479	21.7
80.05024	22.7
80.05775	3.1
81.03427	10.8
83.04955	4.3
85.02902	13.1
91.05475	23.5
95.04971	9.3
97.02899	11.5
97.06536	18.4
98.06849	3.5
99.04478	3.0
100.11272	4.9
103.05474	22.1
105.03379	22.4
105.07032	12.4
107.04961	76.8
109.02873	3.3
111.04469	2.8
117.07033	11.8
119.04979	7.3
119.08574	9.9
121.02889	5.8
127.03934	5.9
128.06213	5.7
129.06944	3.5
131.04950	13.1
133.06474	7.5
133.10110	18.1
143.08582	9.4
145.06517	12.7
145.10136	3.5
147.04408	17.3
147.08064	4.8
161.09637	68.2
162.09975	3.3
163.03935	4.7
164.04272	3.9
171.08081	14.7
173.02396	2.8
173.05977	3.1
174.06287	3.2
182.09682	6.1
189.09116	54.7
207.10197	8.3
213.09128	3.9
215.07086	3.4
216.07382	5.5
219.82796	2.8
225.11206	11.6
228.10187	100.0
229.10628	7.1
242.08951	10.0
259.09875	3.2
260.09964	9.9
272.99597	3.2
285.74155	3.0
386.12396	4.2
404.14026	18.9
405.12952	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	404.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.2
53.18353	1.3
54.21595	1.4
55.05511	4.9
57.03434	4.6
57.07069	7.7
57.32536	1.5
59.53018	1.4
61.02940	2.0
63.31396	1.3
67.05505	21.4
69.03435	26.2
69.07070	2.1
70.06568	1.7
71.01365	2.2
71.05004	9.4
71.32116	2.8
79.05496	3.6
81.03429	13.4
81.07061	3.7
83.04982	3.2
85.02907	24.3
85.06551	19.9
88.64194	1.8
91.05485	6.0
93.07055	4.9
95.08613	100.0
96.08920	2.7
97.02887	19.8
97.06529	3.8
99.00839	2.8
99.04465	18.0
99.08100	9.5
105.07041	6.8
107.08596	2.2
109.02893	9.3
109.06502	2.8
109.10145	2.1
111.04391	1.9
113.06016	21.0
119.04968	2.4
119.08594	21.5
121.10141	2.5
123.08088	11.7
127.03940	15.0
127.07565	35.6
133.10121	2.0
135.11720	5.1
137.09653	1.9
145.04962	5.9
147.04385	9.5
147.11685	5.7
149.09607	3.4
151.07533	2.8
152.37866	1.5
161.13245	16.1
163.11079	1.7
179.14297	9.1
189.12788	3.6
207.13812	38.2
208.14072	2.2
215.09140	3.3
299.82098	1.9
404.14612	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	404.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.01880	2.2
55.05521	1.3
56.48733	0.9
57.03456	2.1
63.64594	1.1
67.05509	2.5
69.03438	5.5
69.12370	4.2
69.12790	3.9
70.06628	1.1
71.04997	1.6
79.05505	1.8
81.03429	3.3
81.07073	1.9
83.04977	3.0
84.04462	1.3
85.02924	7.1
91.05471	3.0
93.07053	1.9
94.94238	1.0
95.04971	1.6
95.08611	4.3
97.02901	6.1
97.06528	5.3
98.09705	1.0
99.04486	1.3
99.08101	1.1
105.07014	2.2
107.04981	1.2
107.08612	1.5
109.02892	1.5
109.06531	2.2
111.04479	1.9
119.04988	2.6
119.08586	3.0
121.02863	1.0
121.10152	5.9
123.08065	100.0
124.08442	3.2
127.03935	3.0
130.05029	1.8
145.10156	1.5
147.04430	11.4
147.11699	1.9
149.09656	1.2
151.11168	1.2
163.11250	2.1
181.12216	10.7
181.13373	1.0
194.11812	1.8
197.95969	1.2
207.13831	2.7
215.07028	1.4
225.14833	8.2
239.08304	1.4
243.06512	1.5
245.12982	1.9
259.09549	1.4
260.09988	1.9
274.56555	1.0
299.10211	1.4
327.09738	3.2
345.10889	4.2
373.10214	3.8
404.14960	2.3
404.23633	2.0
405.12625	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.1
55.01875	5.2
55.05502	4.2
57.03446	6.9
63.52231	5.1
67.05513	8.3
69.03436	36.6
69.07067	18.5
70.03762	4.2
71.04990	8.7
71.30254	6.9
72.96520	4.0
73.02910	3.7
73.41006	4.6
79.05488	21.0
80.05845	5.9
80.79643	3.6
81.03421	27.5
81.07079	11.5
82.03758	6.3
85.02917	10.7
91.05495	9.0
93.07026	5.3
95.04996	6.2
97.02911	25.6
97.06535	100.0
97.07146	5.9
98.06858	36.0
99.04454	11.1
105.07032	10.3
107.04962	8.6
109.02876	5.5
117.03421	5.4
119.04978	6.8
119.08609	24.0
125.59431	3.9
127.03930	11.9
130.05011	7.0
133.10176	8.0
135.04453	7.5
136.04807	6.2
142.47954	4.5
146.06046	4.0
147.04433	19.4
147.11678	21.8
159.04346	5.5
161.02368	13.7
161.13269	7.2
162.02716	7.5
163.03900	43.1
164.04248	26.6
173.02287	23.0
173.06024	5.8
174.02727	17.1
187.07509	5.2
200.04604	4.9
207.13849	14.2
215.07089	21.5
216.07352	37.8
217.05133	5.4
218.05235	5.1
218.08916	4.9
241.08617	11.0
242.08954	18.8
243.10158	6.4
259.09763	25.8
260.10022	76.2
264.46805	4.1
276.62927	4.9
362.09457	10.6
363.12329	4.1
404.14163	73.3
404.23550	4.9
405.14227	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	404.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	47.0
67.05497	46.0
69.07047	16.9
69.28789	100.0
71.04971	15.1
79.05492	51.1
80.05820	14.1
81.07063	50.4
83.08614	29.1
87.04453	22.1
91.05464	25.4
92.05796	16.7
93.07063	34.5
97.06569	18.3
97.10185	33.6
105.07021	18.8
107.08602	27.4
109.10085	12.4
116.97831	14.8
117.07033	23.7
119.08545	29.6
125.09633	30.2
129.07005	16.5
130.36572	15.2
131.08557	16.2
135.08055	16.7
145.10185	15.3
147.08167	16.1
157.10132	15.9
174.89687	15.4
189.11171	19.8
308.04013	14.3
368.23166	36.8
386.23935	40.4
400.50412	15.3
404.25092	49.9
405.22626	43.2
405.73608	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	404.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	47.0
67.05497	46.0
69.07047	16.9
69.28789	100.0
71.04971	15.1
79.05492	51.1
80.05820	14.1
81.07063	50.4
83.08614	29.1
87.04453	22.1
91.05464	25.4
92.05796	16.7
93.07063	34.5
97.06569	18.3
97.10185	33.6
105.07021	18.8
107.08602	27.4
109.10085	12.4
116.97831	14.8
117.07033	23.7
119.08545	29.6
125.09633	30.2
129.07005	16.5
130.36572	15.2
131.08557	16.2
135.08055	16.7
145.10185	15.3
147.08167	16.1
157.10132	15.9
174.89687	15.4
189.11171	19.8
308.04013	14.3
368.23166	36.8
386.23935	40.4
400.50412	15.3
404.25092	49.9
405.22626	43.2
405.73608	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	405.118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35223	0.2
53.03953	1.6
54.80215	0.2
55.01865	1.0
55.05507	0.3
57.03435	1.2
61.02945	0.3
65.03949	1.1
68.05028	0.3
69.03433	9.5
70.56858	0.7
71.01355	1.8
71.05003	1.3
73.02901	0.4
79.05503	0.5
81.03423	7.7
85.02904	3.0
91.05489	13.3
92.05839	0.4
93.07026	0.3
95.04996	0.4
97.02898	17.3
99.00816	0.4
99.04452	2.8
101.02406	0.4
103.05423	0.3
105.07004	0.3
107.04957	0.5
109.02876	2.8
113.02401	0.4
115.03924	0.8
119.04949	29.0
120.05296	1.3
121.06522	0.5
123.04435	0.3
127.03914	5.1
135.04422	0.5
137.02333	0.4
145.04974	0.5
147.04416	100.0
148.04749	4.1
149.05925	0.6
155.03395	0.6
161.57875	0.3
161.59392	0.3
163.03897	0.9
165.05482	2.4
177.05460	0.5
195.06578	0.4
197.05997	0.4
210.84351	0.3
291.08591	1.0
307.08060	0.5
309.09735	1.5
314.16360	0.3
369.10962	0.4
405.11853	7.8
406.12119	0.5
407.77603	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	8.0
53.37270	1.8
55.01873	9.5
55.05509	3.5
57.03443	7.3
66.32270	2.1
67.05514	3.4
68.99767	2.1
69.03433	56.6
70.56689	6.2
71.01347	4.1
71.04993	12.5
73.02919	4.7
80.05021	4.4
81.03422	54.9
81.07067	4.7
83.04992	5.2
85.02909	58.3
87.00834	6.9
87.04499	3.1
89.03917	3.5
91.05478	16.0
95.04979	6.9
97.02898	80.1
97.38775	2.2
99.00816	4.6
99.04467	14.6
101.02383	3.1
105.01865	2.5
107.04977	3.7
107.08583	2.2
108.08091	3.5
109.02885	24.9
109.06416	2.1
111.04423	2.7
115.03932	4.3
117.03383	6.5
119.04949	29.5
121.02927	2.8
123.04418	4.7
125.06016	3.6
125.20296	2.2
126.05553	3.7
127.03925	47.0
127.04802	4.1
133.02910	3.4
135.04417	8.8
136.07587	5.4
137.02357	7.7
140.07079	11.0
141.05487	2.9
145.02827	6.9
145.04958	12.8
147.04416	100.0
148.04832	4.7
151.03845	3.1
152.07079	20.9
154.08592	3.6
162.03166	5.5
163.03908	49.7
163.05193	3.5
164.07132	9.2
169.06499	3.4
174.09338	2.3
174.31071	2.0
178.08655	3.0
182.08128	29.5
185.06044	2.5
187.07727	2.5
189.03969	21.4
197.06084	2.2
206.08134	4.7
215.07140	3.1
218.08139	8.3
220.09758	3.1
225.16064	3.7
231.04961	3.8
236.09270	12.0
243.06699	3.8
248.09193	31.7
266.10297	3.0
288.18250	2.3
299.07782	3.5
337.08615	2.3
388.10184	3.2
403.35730	2.5
405.06387	4.0
405.11523	16.6
405.16547	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	405.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
55.01865	1.7
55.05512	0.7
57.03448	2.1
61.02924	0.8
63.71567	0.4
65.03944	1.3
67.05495	1.6
69.03432	17.2
70.65601	1.0
70.65935	0.8
71.01346	1.6
71.04998	2.2
72.48256	0.4
73.02898	1.1
79.05495	0.8
80.04999	0.5
81.03419	13.8
81.07045	1.3
83.01347	0.7
83.08622	0.5
85.02901	13.0
85.92804	0.4
87.00831	2.4
91.05481	12.9
93.07048	0.8
94.06534	0.4
95.04972	1.5
95.08587	0.5
97.02893	20.6
97.06540	0.7
98.97591	0.7
99.00833	1.1
99.04453	4.5
103.03961	0.6
105.01862	2.4
107.08562	0.5
108.08112	1.8
109.02885	7.9
115.03942	0.6
119.04944	28.2
120.05275	0.9
125.05980	1.0
126.05515	1.3
127.03913	11.6
130.04999	0.5
131.08574	0.7
135.04485	0.5
136.07565	2.4
137.02316	1.0
140.07047	1.2
145.04956	1.7
147.04407	100.0
148.04747	3.0
149.05916	0.9
150.09111	0.5
152.07034	6.7
154.08600	0.5
163.03902	1.4
164.07051	3.0
165.05481	1.1
178.08604	1.2
182.08131	11.3
189.03937	1.4
192.10135	1.1
195.06522	0.6
197.06027	0.6
200.48125	0.4
206.08121	1.4
215.05426	1.0
220.09726	1.1
231.04958	1.1
243.06589	0.8
244.06325	0.4
248.09186	11.4
250.16707	0.5
262.56406	0.5
291.08621	0.5
299.07568	0.7
308.11331	0.7
309.09750	1.7
331.42502	0.4
334.09280	1.3
352.10339	0.7
363.13083	0.6
373.09943	0.5
405.11673	6.0
429.00931	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2251
Annotation	Met Arg Val
Peak:m/z	Relative Intensity
54.71840	0.7
60.95650	0.7
67.05512	1.1
69.07082	1.0
69.09364	5.9
79.05466	1.5
81.07047	1.6
91.05493	2.0
93.07050	1.4
95.04956	0.7
95.08598	1.3
97.06512	1.4
97.54856	0.6
105.07030	1.0
107.08588	0.9
109.10185	0.8
117.07043	1.2
118.45219	0.6
120.52985	0.6
126.00274	0.7
131.08568	0.9
133.10178	0.9
145.10188	0.7
157.90533	0.7
159.11789	0.8
164.75925	0.6
173.13252	0.8
196.72757	0.7
299.46802	0.7
405.22476	100.0
406.22791	10.2
420.34259	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2245
Annotation	Met Val Arg
Peak:m/z	Relative Intensity
55.05500	1.4
58.56169	0.9
62.63598	0.7
67.05518	0.8
67.23329	0.8
79.05479	1.1
81.07041	1.3
81.76158	0.6
84.01417	0.7
91.05476	1.0
93.07060	1.4
95.08590	1.4
98.23441	1.8
98.97576	4.6
105.07018	1.8
111.08081	0.9
116.98620	2.8
117.14021	0.7
119.08588	0.8
121.10108	0.8
122.94498	0.7
134.99696	1.1
135.07957	0.7
137.05969	1.9
143.08575	1.2
145.10027	0.9
192.74004	1.1
218.35596	0.8
235.02789	1.6
236.03130	1.8
253.03827	3.1
254.04280	1.7
373.10114	1.0
405.22461	100.0
406.22668	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	405.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12572	0.8
53.03941	1.0
53.86348	0.9
54.20016	0.8
55.01879	6.0
55.05511	10.9
57.03429	6.2
57.07070	4.3
60.42652	0.7
65.02747	0.8
67.05496	7.7
69.07065	12.5
71.08625	2.0
72.53703	0.8
74.43218	0.8
79.05501	5.0
81.07057	8.6
82.07367	0.8
83.08616	10.7
91.05456	0.9
93.07038	5.8
95.08595	6.4
97.06509	2.7
97.10162	7.6
105.07033	1.1
105.51740	0.8
107.08589	3.3
109.10155	2.6
111.08049	1.8
111.11716	2.0
112.00464	0.8
113.00016	100.0
119.08599	1.0
121.10153	6.3
129.01920	0.9
135.11748	3.9
169.02614	88.8
170.02980	1.7
186.66922	1.0
219.21074	1.6
237.22090	5.4
405.21133	1.4
405.37076	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	405.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73212	10.5
55.05504	12.3
57.07067	30.9
59.90379	10.6
67.05506	34.0
67.86173	12.5
69.07078	33.9
69.58134	12.3
70.75498	22.1
71.04960	15.8
71.89493	11.7
79.05493	19.0
81.07045	30.7
90.96305	11.3
93.07045	28.9
95.08600	32.9
97.06515	13.2
105.07046	32.3
107.08589	21.2
109.10178	87.7
121.10098	16.9
127.11198	100.0
149.02330	95.0
161.13339	14.0
163.14865	12.5
223.14798	11.1
252.93182	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.164
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91919	0.8
53.03945	1.8
55.01870	3.8
55.05508	4.4
56.05036	7.6
57.03443	5.2
58.06589	1.0
58.92856	0.7
58.99586	13.0
61.01136	1.0
61.02916	0.7
67.05509	1.5
68.05016	1.3
69.03428	9.3
69.07055	1.0
69.96019	1.6
70.02941	2.2
70.99528	0.6
71.04955	1.0
73.01123	1.2
74.00658	2.8
76.02227	21.7
76.04007	2.7
78.11339	0.7
79.05490	4.3
80.05023	2.7
81.03407	3.0
81.07053	20.9
82.06614	0.7
83.04974	1.7
83.06068	1.5
83.08611	1.8
84.04501	30.0
84.08139	1.5
85.01125	3.1
85.02898	2.5
86.00662	4.9
86.99043	5.9
87.02687	6.1
88.02209	2.1
91.05473	3.3
94.06557	1.1
95.04947	0.9
95.08611	4.4
96.04395	0.7
96.08136	1.1
97.01110	0.8
97.02897	3.0
97.06523	3.0
98.06077	1.3
98.09695	10.9
98.10281	1.3
98.22710	0.9
99.04452	2.0
99.05585	0.9
99.08086	5.7
101.00597	1.1
102.03742	0.7
102.05533	5.4
104.07106	1.0
105.07020	2.2
107.04931	1.2
109.02895	1.4
110.09666	1.7
111.04447	1.1
112.03961	3.2
113.04225	7.2
114.03804	0.9
115.05818	1.7
116.00879	1.5
116.01675	22.9
119.04922	4.5
122.09645	2.1
123.04383	1.1
127.03918	1.9
127.05782	0.9
128.06219	1.1
129.06609	2.7
129.07423	1.2
130.04997	7.9
130.06862	3.9
130.08617	1.2
131.08559	1.4
139.05743	2.7
142.03203	2.8
143.02760	1.1
144.01131	9.1
145.05972	4.8
145.17276	0.6
147.04401	23.8
148.04791	4.1
151.07542	1.5
153.06693	1.8
156.08421	20.3
156.10196	12.1
157.06827	9.5
157.08691	1.1
159.08382	1.5
162.02200	22.5
165.05547	0.8
170.02695	1.1
171.08046	1.4
174.09467	13.7
175.09732	0.8
177.00607	0.7
179.04845	9.0
181.06401	0.9
184.07587	0.9
185.06142	1.6
189.03314	1.2
202.08952	1.3
209.11679	0.8
210.11290	2.3
215.04858	1.0
216.06908	7.0
227.06996	1.0
233.05853	1.9
242.08504	1.3
244.09749	1.3
259.11111	100.0
260.09320	2.0
260.11765	4.2
274.10413	0.7
285.12610	2.1
308.08963	1.1
313.12198	4.2
331.13306	6.8
366.90442	0.7
388.15128	1.0
388.23099	0.8
406.11472	0.9
406.16275	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	406.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.4
55.05516	24.5
65.03949	3.1
67.05508	4.5
69.03426	36.6
70.06587	2.7
71.28505	3.9
71.70628	2.5
74.15388	2.7
80.05012	5.8
81.03408	9.6
81.07053	8.6
83.04984	27.9
83.08618	15.1
85.02909	8.8
91.05487	16.9
93.07069	5.6
95.04974	3.9
95.08583	5.6
97.02895	11.4
97.06532	7.2
99.04442	5.6
105.07043	8.5
106.36223	3.0
107.08607	8.3
109.02885	4.4
109.06532	5.1
109.10156	13.0
111.08073	4.7
119.04943	24.2
121.06477	5.1
121.10149	5.0
123.11730	3.3
125.09650	3.7
128.06186	2.8
130.05028	5.5
131.08588	4.2
133.10176	5.3
145.10159	2.9
147.04404	100.0
147.11739	4.5
148.04749	9.1
151.11169	20.7
153.09142	5.2
167.14317	28.8
173.13399	2.9
181.04135	6.4
181.06436	4.6
191.14357	3.4
199.07599	3.7
206.36475	3.0
209.15370	85.6
210.15755	8.1
227.04782	6.6
227.06955	6.5
244.09698	4.8
245.08058	7.8
329.60254	3.5
376.62259	3.2
406.12909	3.7
406.17755	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	406.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	5.7
57.03439	3.1
57.07062	4.6
67.05500	9.1
69.03420	11.7
69.07071	8.0
70.79977	4.4
71.04975	3.8
71.37296	2.8
76.33916	2.7
79.05499	10.9
81.03408	3.4
81.07052	14.1
83.04992	7.5
85.02888	6.5
85.06543	53.9
85.07025	4.8
91.05470	7.6
93.07030	15.7
95.04981	3.8
95.08624	14.0
97.02880	5.3
97.06519	6.5
97.73494	2.8
99.04457	6.9
99.08089	5.0
102.02598	2.6
105.07026	6.4
107.08588	18.4
109.10164	3.3
111.11698	3.1
119.04926	2.9
119.08581	3.5
121.10145	8.7
123.11710	13.3
127.17492	2.8
133.10104	6.1
136.08340	3.2
139.07535	5.7
147.04399	10.9
149.09642	3.4
149.13284	9.9
151.11159	3.0
153.09122	8.8
163.03941	12.6
173.13306	4.3
178.98286	2.5
191.14345	8.2
209.15396	17.9
226.14902	2.6
227.16377	16.4
245.07858	100.0
274.38440	3.3
370.20016	2.5
378.18494	5.6
406.17618	34.7
407.13181	36.1
407.18292	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
55.05500	1.0
58.40279	0.5
65.03936	1.3
67.05500	0.6
69.03431	46.1
69.15161	1.0
69.15564	2.5
70.03761	0.5
71.01361	0.5
71.05003	1.4
80.01875	0.6
81.03420	4.7
83.04552	0.7
83.04993	6.9
85.02911	1.4
88.27255	0.5
91.05484	9.1
97.02895	12.0
99.04452	9.2
101.06011	1.4
109.02859	1.1
119.04088	1.1
119.04945	21.0
120.05259	1.1
127.03947	2.4
147.04410	100.0
148.04723	5.0
149.05061	0.9
165.05455	1.9
179.88092	0.5
181.06619	0.8
227.06995	1.5
245.08101	1.1
263.58957	0.6
291.08752	1.6
309.09842	2.5
356.30432	0.7
380.83334	0.5
399.20123	0.6
407.12985	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	407.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93282	0.4
51.84034	0.4
53.03936	1.1
55.01880	0.6
55.05512	2.4
55.38632	0.5
57.03433	0.5
65.03912	0.7
67.05515	1.0
69.03436	47.2
70.03752	0.8
71.01343	1.2
71.05003	0.8
77.44208	0.5
78.41746	0.4
81.03420	7.9
83.04988	10.7
85.02909	1.8
91.05488	10.6
95.04972	1.7
97.02902	39.3
98.03239	1.0
99.04462	10.2
101.06018	1.7
107.04897	0.5
109.02904	1.3
119.04954	23.2
120.05283	0.9
123.04414	0.6
127.03954	3.6
134.54091	0.5
141.05524	1.0
147.04422	100.0
148.04744	3.9
165.05479	2.4
195.06586	0.8
234.60941	0.5
291.08600	1.7
307.08395	0.5
309.09610	1.2
389.12643	0.5
407.13480	8.9
408.14047	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
54.40663	0.6
55.05510	1.4
59.85698	0.6
61.07333	0.6
65.03939	1.3
67.05504	0.8
69.03433	44.7
69.24514	2.7
69.24930	1.6
81.03437	4.5
83.04983	11.0
85.02901	1.6
90.54272	0.7
91.05484	11.7
97.02898	17.0
98.22626	1.1
99.04453	7.7
101.06027	1.2
108.78382	0.5
109.02876	1.1
119.04951	22.8
120.05260	0.7
127.03922	2.0
147.04417	100.0
148.04790	3.4
165.05493	2.1
181.06493	0.9
194.79089	0.5
208.70750	0.6
211.96318	0.6
227.07021	1.8
245.08069	1.0
249.07251	0.6
265.52734	0.6
276.69601	0.6
291.08453	0.9
309.09628	2.1
407.13434	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	407.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
53.07111	0.4
55.05497	1.3
57.03424	0.6
65.03937	1.2
66.80616	0.4
67.05503	0.9
69.03430	45.5
69.14435	1.9
69.14860	1.4
70.03745	0.6
71.04987	0.6
81.03416	4.6
83.04548	0.7
83.04986	7.2
85.02894	1.8
91.05482	10.8
95.04929	0.6
97.02889	19.1
99.04456	7.7
101.06021	1.0
105.06951	0.5
109.02866	1.3
116.44783	0.5
119.04941	22.6
120.05244	1.0
127.03947	2.2
141.05495	0.7
145.05031	0.6
147.04407	100.0
148.04730	3.6
153.06880	0.5
165.05472	1.5
181.06473	1.0
227.07047	1.7
245.08098	1.8
291.08548	0.7
309.09680	1.7
407.13205	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
53.32463	0.4
54.33578	0.3
54.54228	0.4
55.01855	0.5
55.05502	0.7
57.03416	0.8
65.03929	0.9
69.03429	39.7
69.58596	2.0
70.03757	0.8
71.04966	0.5
73.02915	0.5
76.02221	0.4
79.05493	0.8
81.03420	6.8
81.07057	0.5
83.04980	4.6
84.04498	0.7
85.02897	2.0
85.04870	0.4
88.48760	0.4
91.05481	7.4
95.04965	1.1
97.02888	8.9
99.04457	7.2
99.08112	0.5
107.04965	3.8
108.05308	0.4
109.02866	1.8
109.63330	0.4
115.67868	0.4
116.01677	0.5
119.04939	19.0
120.05270	0.8
121.02885	0.6
121.06475	0.5
123.04466	2.8
127.03887	1.5
128.06210	0.7
129.07094	0.4
133.06483	0.4
145.05025	0.6
147.04407	100.0
148.04712	3.4
151.03867	0.5
153.06993	0.7
156.10193	0.5
157.06474	2.4
157.08763	0.5
165.05487	3.7
165.06865	0.7
171.08083	1.4
177.05473	0.6
181.06479	1.4
183.08037	0.5
185.06000	2.9
187.07611	1.0
199.07590	1.0
203.06993	1.0
205.12793	0.4
227.07060	3.5
240.50359	0.4
245.08153	0.7
260.11517	2.2
291.08636	0.9
309.09680	4.0
389.12085	0.8
407.13330	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80267	0.5
53.03941	0.9
55.05506	1.1
57.03430	1.0
65.03934	1.0
67.05510	0.8
69.03432	53.5
70.03754	1.5
70.44018	1.4
71.01347	1.1
71.04980	1.3
81.03425	5.6
83.04984	7.8
83.52490	0.5
85.02892	2.9
87.05814	0.5
91.04911	0.6
91.05479	8.9
95.04961	0.8
97.02895	15.0
98.03213	0.5
99.04459	9.1
101.06039	1.2
107.04926	0.7
109.02900	1.1
119.04948	20.8
120.05238	1.0
123.04420	0.5
127.03905	1.9
141.05435	0.5
147.04413	100.0
148.04764	4.5
149.04915	0.6
153.40237	0.4
157.06546	0.7
163.04027	0.4
165.05466	2.0
181.06383	0.5
210.07735	0.7
227.06958	1.8
245.08057	1.4
291.08621	1.8
292.09161	0.5
309.09583	2.5
384.34604	0.5
385.61069	0.5
401.65839	0.6
405.48483	0.5
407.13403	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
70.55241	3.7
78.11903	2.3
80.05022	45.0
85.02919	28.7
90.75913	2.6
98.97594	3.0
131.03407	4.2
150.05424	2.4
164.07158	2.4
166.98640	2.3
169.13495	2.3
179.06711	2.3
200.57663	2.5
210.07611	100.0
211.07999	3.6
263.91931	2.5
264.24182	2.9
265.09225	2.7
388.91541	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
55.05513	0.7
57.03439	0.6
57.07079	1.2
67.05505	1.6
69.03425	0.6
69.07076	0.7
69.44079	2.3
70.06602	2.5
71.05009	0.4
71.08626	0.8
79.05505	2.0
81.03442	0.7
81.07062	1.8
83.04969	0.7
83.08647	0.6
86.09708	0.5
88.07642	0.7
91.05492	1.8
93.07061	2.1
95.04981	1.6
95.08606	1.4
97.06538	0.8
102.09219	0.9
105.07044	1.5
107.04918	0.5
107.08607	0.6
109.06519	1.0
109.10149	0.6
115.05345	0.4
117.07032	0.6
119.08596	0.9
119.88246	0.4
121.06529	0.7
121.10133	1.0
123.08091	0.5
129.06914	0.4
131.08527	0.9
132.10202	0.4
135.08046	0.5
142.07816	0.4
143.08563	1.3
145.10124	1.2
146.11774	0.4
147.04445	0.5
147.08049	0.9
149.09604	0.5
155.08542	0.5
157.10207	0.6
161.09650	0.7
162.86902	0.4
167.10783	0.6
173.09682	0.5
177.09299	0.4
187.11143	0.4
199.11267	0.4
207.61957	0.4
209.13326	0.6
256.26437	1.0
257.26910	2.3
295.15253	1.0
300.28970	1.0
301.29312	2.4
303.70444	0.4
309.16635	0.9
325.16324	0.8
345.31949	1.3
385.97980	0.4
406.35223	2.7
407.24054	100.0
407.35403	11.6
408.24438	9.9
408.30966	1.5
408.35968	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
55.05520	0.6
57.07066	0.5
67.05496	1.4
69.91245	1.3
70.06591	2.6
71.08608	0.4
79.05489	1.4
81.07059	1.4
83.08617	0.6
88.07635	1.1
89.06091	0.3
91.05476	1.7
93.07039	1.5
95.04948	0.8
95.08587	0.9
97.06535	0.5
99.08096	0.4
102.09193	0.4
105.07031	1.9
107.04950	0.5
107.08595	1.0
109.06532	1.0
109.10136	0.5
111.04486	0.4
114.09161	0.4
117.07011	0.6
119.08588	1.2
121.06489	0.5
121.10143	0.6
123.08076	0.5
129.07042	0.5
131.08556	0.6
133.10149	0.4
135.08090	0.7
142.07779	0.5
143.08527	0.6
145.10135	0.6
146.11800	0.5
147.04388	0.7
147.08092	0.4
149.09657	0.5
155.08588	0.4
159.11688	0.6
161.09653	0.6
169.10136	0.4
189.09142	0.4
195.11644	0.6
256.26367	1.1
257.26691	1.3
295.15131	0.8
300.29004	1.2
301.29349	2.0
309.16611	1.0
315.19473	0.8
325.16119	0.6
345.31879	1.0
389.34317	0.4
406.35321	1.8
407.24017	100.0
407.35345	10.8
408.24432	9.3
408.30270	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.0
57.03441	1.1
57.07048	0.8
61.76219	0.7
67.05499	2.7
69.03414	1.0
69.07067	0.8
71.04990	0.7
71.30538	1.0
79.05494	1.8
81.07069	3.4
83.04960	0.7
83.08611	1.0
91.05489	1.9
93.07026	2.8
95.04977	1.9
95.08639	1.5
97.06548	0.9
105.07034	2.6
107.08625	1.0
109.06503	1.0
109.10130	1.1
114.31646	0.8
117.07035	0.7
119.08551	1.5
121.10162	1.2
129.05472	0.8
137.09627	0.9
143.08597	1.5
145.10089	1.4
149.09619	1.0
155.08510	1.1
157.10153	0.7
159.11729	1.1
160.05658	0.8
166.10161	0.7
169.10008	0.9
170.10959	0.8
184.04597	1.1
221.13417	0.9
295.74881	0.9
374.26407	0.8
407.24033	100.0
408.24329	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	407.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31325	0.4
55.05507	1.3
55.91135	0.4
57.03432	5.7
57.07076	6.7
64.02988	0.4
67.05506	3.1
69.07058	1.6
71.08630	4.6
79.05486	0.8
81.07053	3.8
83.08622	2.0
85.10175	3.2
91.05456	0.7
93.07032	1.2
95.08602	5.0
97.10170	0.9
98.23408	0.7
105.07030	1.2
107.08562	0.6
109.10155	2.5
111.08067	0.6
113.00011	100.0
117.07014	0.8
119.08578	1.0
121.10155	1.0
123.11697	1.1
131.00958	0.9
133.10117	0.7
135.11662	0.4
137.13208	0.5
139.01569	0.5
145.10083	1.2
146.00024	0.4
154.02634	0.6
157.10130	0.8
165.16800	0.4
169.02605	100.0
170.02956	1.3
173.13217	0.5
183.11540	0.4
187.66095	0.4
239.23686	0.7
243.61473	0.4
262.45743	0.4
351.57935	0.5
407.25778	0.5
427.87296	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.0
57.03433	4.8
57.07078	15.0
64.12277	2.2
67.05502	8.0
69.07059	16.6
71.08631	14.6
71.28444	2.3
79.05486	5.0
81.07069	8.7
82.22263	2.2
83.08621	4.7
85.10183	5.0
85.19821	2.3
89.06036	9.3
93.07052	6.4
95.08621	12.0
97.06533	3.1
104.69321	2.3
105.07023	6.3
109.10153	5.0
111.11742	5.1
113.00020	100.0
119.08589	4.2
121.10178	2.5
123.11674	2.1
125.25150	2.5
131.08539	3.1
133.08618	4.6
133.10173	2.6
143.08585	3.2
149.02336	72.2
157.10197	2.7
169.02621	87.1
379.28436	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	407.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
55.05516	5.1
57.03439	5.1
57.07082	7.8
59.04995	2.6
59.68203	0.9
65.03960	0.9
67.05509	5.0
69.07072	4.0
71.04996	2.2
71.08625	4.9
79.05497	6.2
81.07048	13.0
83.04960	1.3
83.08635	3.1
85.06550	6.4
85.10184	2.5
89.06049	2.7
91.05483	7.5
93.07048	11.7
95.04987	3.0
95.08620	8.0
97.06535	1.7
97.10197	1.4
98.22581	2.1
105.07034	17.7
107.08614	5.0
109.06536	2.5
109.10140	5.5
111.08084	6.9
113.00021	99.2
117.07018	5.8
119.08598	12.7
121.06487	1.1
121.10146	8.0
123.08072	3.3
123.11728	2.5
128.06271	1.5
129.07028	2.9
130.07813	2.1
131.08545	4.8
133.10144	7.2
135.08093	2.4
135.11652	1.5
135.39264	1.0
136.80669	1.1
137.09610	3.2
142.07777	4.1
143.08583	6.4
145.10136	13.2
147.11720	2.8
149.09590	1.2
149.13336	1.1
151.11198	2.4
155.08572	1.2
156.09369	1.7
157.10155	7.5
159.11711	2.5
161.13336	1.2
169.02618	100.0
169.10066	6.0
170.02972	2.0
171.11740	1.9
173.09544	1.2
173.13319	1.6
175.11194	3.0
177.12779	2.1
180.09314	1.2
181.10149	3.7
182.10883	1.3
189.12715	1.4
193.10132	1.6
195.11803	2.3
197.13399	1.9
201.12830	2.6
207.11723	1.6
237.16466	2.8
269.19025	1.4
294.27560	1.1
295.10858	1.1
319.93579	0.9
363.16245	1.6
377.17722	3.2
378.18292	1.3
392.19833	2.2
407.22461	13.8
407.29465	2.2
408.13388	1.5
408.22601	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	28.2
57.07075	16.9
59.05005	9.6
67.05503	39.1
69.07069	24.8
71.04986	13.2
71.28821	6.9
71.39587	5.0
79.05493	47.0
80.98355	5.2
81.07061	76.6
83.04959	9.7
83.08648	11.0
84.08159	11.4
85.06544	26.5
89.06049	13.6
91.05482	57.4
93.07050	56.9
95.04964	9.7
95.08601	38.9
97.06506	8.0
101.83073	6.3
105.07032	91.6
107.08601	49.0
109.06567	6.4
109.10165	30.5
111.08089	24.4
113.00027	16.6
115.05501	11.1
117.07028	26.5
119.08578	100.0
119.09354	9.7
121.10129	41.9
123.08074	17.5
123.11720	10.9
128.06253	16.5
129.06985	16.3
130.07780	19.6
131.08574	24.8
133.08603	6.8
133.10153	48.8
135.08058	13.2
135.11656	16.7
137.09648	9.1
141.07018	10.4
142.07753	28.2
143.08560	45.2
144.09329	7.1
145.10127	66.0
147.11690	14.3
149.09599	7.2
153.07036	8.3
155.08577	19.5
156.09366	18.0
157.10123	55.0
158.10800	6.1
159.11667	27.8
160.46182	5.7
161.09579	5.9
161.13193	7.7
163.11212	8.6
167.08554	8.1
169.02541	11.9
169.10107	32.0
169.13443	27.4
171.11694	18.2
173.09663	5.8
173.13284	22.1
175.11185	15.8
175.14851	12.7
179.08484	7.8
181.10040	10.0
183.11661	15.3
185.13298	7.1
187.14900	9.5
189.12796	7.8
193.10039	12.4
194.10968	6.0
195.11780	15.2
197.13203	10.0
199.14819	7.2
201.12773	9.6
201.16428	7.7
206.11037	6.5
209.13206	9.9
211.14868	11.4
221.13171	11.7
223.14810	7.3
237.16565	7.7
249.18654	7.1
314.43918	5.4
375.27136	5.3
407.29312	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	407.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.05507	4.9
56.95335	0.7
57.03442	5.6
57.07079	9.4
59.05000	1.7
67.05509	7.7
69.07074	6.5
71.04980	2.4
71.08638	4.3
79.05493	8.6
81.07056	12.2
83.05004	1.0
83.08615	2.9
85.06543	4.4
85.10178	2.2
89.06024	1.1
89.14601	0.7
91.05482	11.6
93.07039	10.6
95.04969	1.4
95.08602	11.1
97.10207	1.0
105.07029	16.8
107.08605	8.8
108.05729	1.0
109.06509	1.6
109.10158	4.7
111.08091	4.4
113.00018	100.0
114.00395	0.8
115.05486	1.0
117.07014	4.8
119.07774	1.4
119.08573	16.6
120.08900	1.0
121.06484	1.2
121.10149	5.3
123.08070	4.0
123.11785	1.4
125.09590	1.0
128.06239	3.2
129.06996	4.0
130.07803	1.8
131.08577	7.2
133.06439	0.7
133.10130	8.6
135.08061	3.0
135.11694	4.7
137.09570	2.7
141.07013	1.6
142.07797	5.4
143.08565	7.6
144.09293	1.4
145.10118	10.8
147.11690	3.6
149.09631	2.0
154.02592	0.7
154.07755	1.9
155.08568	2.4
156.09335	1.7
157.10126	12.1
158.10936	0.8
159.11652	5.8
160.08902	0.8
161.09628	1.4
161.13301	1.4
163.11220	1.0
167.08542	1.9
168.09293	2.2
169.02620	77.7
169.10164	6.5
170.02895	1.5
170.10843	1.0
171.11676	3.0
173.13255	4.2
175.11188	3.4
175.14854	3.0
177.12865	0.8
177.49956	0.7
179.08598	1.6
180.09293	0.9
181.10115	2.8
182.10927	1.2
183.11700	3.1
185.13316	2.8
186.10358	0.7
187.14844	1.6
189.12828	1.2
191.14304	1.1
193.10164	1.9
194.10933	1.7
195.11748	1.9
196.12402	1.1
196.37640	0.8
197.13261	2.3
199.14851	1.4
201.12741	2.0
201.16393	1.9
206.10973	0.9
207.11707	1.2
209.13266	3.1
211.14856	1.9
215.14252	1.0
217.39769	0.6
219.11668	1.2
220.12575	0.7
221.13098	1.1
222.13982	0.7
235.14902	1.7
237.16454	1.0
265.19479	1.0
375.26755	1.0
407.29376	3.0
410.87042	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	3.6
57.07083	6.7
65.03947	4.2
66.05141	0.9
67.05505	22.8
67.05845	1.8
69.07060	5.4
71.04996	4.5
71.08633	6.2
79.05494	1.7
81.07076	5.1
83.08622	4.3
85.10194	3.6
89.06048	2.1
93.07037	2.5
95.04963	12.0
95.08609	4.9
97.06563	1.8
97.10200	3.7
99.04465	7.7
99.11697	1.1
105.07011	1.8
107.08627	2.9
109.06532	1.3
109.10161	3.1
111.11749	3.0
113.00031	1.5
113.06008	5.2
119.08618	3.2
121.06548	1.2
121.10143	1.9
123.04426	17.0
123.08070	1.0
123.11703	1.1
125.05986	6.7
133.10164	1.6
139.07539	2.4
141.05463	100.0
142.05768	2.3
145.12683	1.0
147.11699	1.4
149.13240	1.5
151.07573	1.3
151.11179	1.4
154.28362	1.0
161.22235	1.1
169.02606	1.6
195.12219	1.1
211.73611	1.1
224.68559	0.9
347.33206	2.7
365.33994	1.5
389.34177	7.2
407.35181	26.6
408.35486	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3671
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.06681	3.2
55.05509	13.8
57.07076	11.2
67.05499	29.9
69.07069	55.7
71.08620	4.7
79.05489	15.2
81.07058	86.2
81.16917	3.6
83.08613	20.6
84.20366	3.6
89.06067	6.4
89.55869	3.8
91.05479	11.0
93.07047	37.1
95.05014	4.4
95.08606	75.9
97.10147	7.6
105.07043	29.1
107.08594	44.9
109.10152	51.6
113.00047	8.6
117.07053	6.4
119.08588	34.7
121.10163	27.7
123.11713	26.9
131.08594	9.7
133.10152	22.5
135.11688	24.9
137.13272	14.5
137.56540	4.1
142.07823	4.1
143.08585	8.8
145.10121	26.0
147.11661	24.0
149.13271	13.9
157.10155	13.1
159.11710	28.3
161.13283	13.6
162.13623	3.9
163.14836	5.7
169.02638	8.5
169.09999	4.3
171.11726	9.3
173.13286	19.7
175.14867	13.2
177.16370	7.8
185.13322	12.5
187.14809	11.2
189.16374	11.3
191.17963	6.7
195.12302	5.7
197.13295	4.8
199.14819	9.3
201.16388	8.7
213.16374	6.5
215.17972	10.7
217.19579	5.2
225.16241	4.3
227.17999	10.6
227.99236	4.1
229.19542	8.7
231.21140	3.6
243.21196	3.8
255.21117	6.4
257.22556	3.8
269.22610	8.8
271.24216	4.2
283.24326	5.7
295.24185	4.6
297.25735	8.5
317.49048	3.6
325.28763	7.4
351.30600	6.0
398.46875	3.7
407.36768	100.0
408.37070	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	408.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62416	0.7
56.56717	0.7
56.96564	6.2
63.54726	0.7
69.03436	1.3
69.07065	2.2
70.53861	1.8
83.04978	1.0
84.96054	1.4
85.02894	1.9
86.09708	100.0
87.10036	2.3
92.71467	1.0
97.02892	1.9
98.97586	45.8
100.50555	0.8
101.00865	1.7
108.97124	0.8
110.97561	4.2
111.66987	0.7
112.99142	0.7
115.03920	2.8
116.98626	12.7
118.60474	0.9
119.01940	1.9
127.48408	0.8
128.98595	2.6
131.20769	0.8
132.10204	73.8
133.10580	1.7
134.99686	2.3
136.99091	6.5
143.00195	1.7
143.01894	1.1
144.98105	1.0
146.99628	1.3
147.04323	1.1
155.00157	16.1
156.02014	1.1
158.99632	13.0
161.02968	2.4
164.23756	0.9
166.60440	0.9
170.99677	2.0
173.01263	9.7
173.02820	1.9
177.00681	9.8
189.00714	1.4
191.02335	1.1
191.04016	0.9
197.01205	23.8
197.02684	1.5
199.02718	1.4
215.02280	11.3
217.03645	1.1
219.01840	7.5
221.04770	1.3
221.93796	0.9
222.05367	0.9
223.04881	1.2
226.02524	1.0
233.03290	0.8
237.02795	6.2
237.05322	1.4
238.03421	1.0
240.65829	0.9
253.05328	0.8
257.03354	10.4
279.03949	4.2
306.10864	0.9
317.05411	5.8
318.06342	1.4
335.06494	3.1
349.07993	1.9
367.08859	1.8
377.07617	2.6
409.09915	1.6
430.39099	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88571	2.6
57.03429	4.4
62.39589	2.3
69.03413	9.2
69.27454	9.5
69.27855	4.2
71.05004	2.8
85.02891	9.6
97.02867	5.7
101.00960	2.8
107.04946	3.3
111.04491	2.7
114.05532	6.7
119.01929	8.7
119.04906	4.6
121.02834	7.8
122.03645	3.4
125.05981	8.5
127.03905	3.1
136.06201	10.8
137.05975	100.0
140.04665	5.2
147.04427	15.7
148.04745	4.0
149.04674	3.2
151.03911	3.5
160.07556	5.0
166.07271	23.8
173.02995	2.6
173.06813	3.3
185.02924	2.6
211.09628	17.1
218.02733	24.0
219.08885	3.1
221.16888	2.5
229.10715	7.8
246.02161	14.5
271.04138	3.1
316.14017	2.9
349.07465	3.8
355.86563	2.9
390.17551	4.4
408.18967	13.0
409.09769	4.6
409.14743	3.6
409.19757	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04099	0.9
56.96560	7.2
63.85770	0.8
71.05904	1.3
71.95272	0.9
76.04269	0.9
81.03397	0.8
85.06557	1.1
90.94160	0.8
98.97582	100.0
99.97926	0.8
110.97570	9.4
116.98622	29.6
128.98634	5.1
132.98024	0.9
134.99643	4.8
136.99100	19.9
137.00055	1.6
143.00174	2.3
155.00151	42.5
156.00458	1.0
158.99651	28.0
171.72920	0.9
173.01230	22.7
177.00694	14.9
185.01266	1.0
191.02177	1.2
195.01802	1.9
197.01222	66.4
198.01537	3.1
199.02792	1.8
201.00729	1.2
209.01271	0.9
215.02264	33.2
217.03886	1.7
219.01784	16.2
221.01392	1.0
233.03326	1.5
237.02776	8.5
238.03741	1.2
257.03339	30.4
279.03815	7.9
297.04977	2.5
317.05444	15.7
318.05325	1.1
335.06445	4.7
335.46243	1.0
349.08066	11.7
367.09158	7.9
377.07434	5.0
409.09967	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	0.5
55.05436	5.2
57.03362	2.1
57.06998	7.0
57.07310	1.1
65.03871	2.2
67.05427	17.5
67.05827	1.4
69.03355	16.7
69.03767	1.3
69.40620	1.7
69.41032	0.9
70.03677	0.7
71.04945	1.0
76.58075	0.4
79.05439	0.7
81.03413	3.1
83.04977	11.7
85.02912	4.8
85.06542	34.3
85.07015	1.5
86.06799	0.6
90.74048	0.5
91.05476	11.1
95.01293	0.7
97.02888	17.0
97.06474	0.6
99.04343	0.8
99.27778	0.4
101.05963	0.8
103.07575	0.6
107.04899	0.6
107.89925	0.5
109.02831	0.6
113.02392	0.5
115.03924	11.9
119.04940	23.0
119.87128	0.5
120.05225	1.4
120.22310	0.4
125.02347	1.7
130.97234	0.5
142.17947	0.5
143.03404	0.5
146.14612	0.4
147.04405	100.0
148.04739	5.1
149.04955	0.5
161.04477	0.9
165.05473	5.8
203.05305	1.5
203.07088	0.6
217.24225	0.5
248.13057	0.7
261.07617	0.5
271.06323	0.6
279.08582	8.8
291.08899	0.6
307.08112	6.7
325.09186	5.6
337.09570	1.4
366.12183	1.5
372.93649	0.4
391.13821	4.0
392.15387	0.5
409.06848	0.6
409.15143	4.4
409.19177	17.5
410.10513	3.4
410.15286	0.5
410.19693	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16399	9.2
55.05531	12.0
69.03413	14.8
69.07066	13.6
71.28880	12.0
79.05489	17.4
81.03398	20.0
83.04981	22.5
85.02906	23.4
85.06537	11.1
91.05475	29.1
97.06525	34.5
107.08613	11.4
119.04941	13.9
127.03932	13.4
147.04428	50.6
161.09705	12.7
170.81894	11.2
204.10411	16.4
247.13232	10.9
248.12814	44.7
294.13309	21.4
308.49231	9.5
347.16855	18.6
409.15744	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.5
55.05516	3.7
56.05838	1.0
57.03426	0.4
57.07082	0.4
58.99584	1.9
67.05507	1.0
69.03410	1.8
70.67377	0.6
76.02232	0.6
81.03413	0.5
81.07079	0.4
83.04967	2.2
83.08608	3.9
84.04523	2.1
84.08947	1.9
85.02930	0.9
85.04852	0.4
85.06529	2.1
86.99045	1.8
91.05458	0.9
97.02892	1.1
106.92000	0.4
107.04938	0.4
116.01672	4.7
117.02032	2.2
118.01248	0.8
119.04949	1.7
121.02852	3.0
123.08079	0.4
127.03970	0.4
130.05006	0.7
144.01147	2.1
145.01480	1.1
147.04405	7.0
149.05989	0.5
159.08388	3.1
160.08707	2.1
161.08118	0.6
162.02188	8.2
163.02589	3.3
164.01750	0.8
165.05495	0.7
185.04150	0.4
247.05896	0.8
247.09506	0.8
262.11145	1.8
263.11276	3.2
279.13663	0.6
280.14066	1.0
334.15195	0.9
409.18326	100.0
410.18710	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	409.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
61.66093	0.3
69.38867	1.5
69.39275	0.5
83.05068	0.3
87.56952	0.3
133.68051	0.3
256.25095	0.4
409.18298	100.0
410.18588	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	409.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46648	0.4
55.01883	0.5
55.05511	3.5
56.05828	0.9
58.99578	1.7
69.03423	0.8
70.06637	0.5
71.29998	0.5
76.02216	0.7
76.04018	0.4
81.03427	0.5
81.07035	0.9
83.04980	1.8
83.08618	3.8
84.04504	2.5
84.08965	1.8
85.02910	1.5
85.04810	0.4
85.06532	1.2
86.99065	1.1
91.05475	1.1
97.02895	1.1
97.06560	0.4
107.04937	0.5
109.02883	0.4
111.04440	0.5
116.01664	4.4
117.02034	1.1
118.01302	0.4
119.04940	1.4
121.02863	4.4
127.03943	0.7
130.49823	0.4
131.08485	0.4
135.08072	0.4
136.06160	0.4
144.01105	2.6
144.07796	0.5
145.01469	0.8
147.04399	5.5
159.08351	2.2
160.08748	2.0
162.02179	6.9
162.05499	1.0
163.02550	3.9
164.01785	0.9
185.04237	0.7
201.09380	0.4
247.05701	0.7
247.09610	0.9
262.11029	1.9
263.11340	2.7
264.10886	0.5
279.13818	0.5
280.13989	1.1
334.15039	1.1
356.60339	0.4
409.18323	100.0
410.18619	7.4
416.08655	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.5
55.05513	0.6
57.03433	0.6
62.60650	0.3
67.05508	1.0
69.03417	1.1
69.07085	0.5
69.11243	2.2
71.05000	0.5
75.51478	0.3
79.05454	0.6
81.03416	0.5
81.07075	0.3
83.04989	1.1
85.02907	1.0
85.06537	1.3
91.05478	0.5
93.07014	0.4
95.08602	0.4
97.02910	0.9
97.06541	3.0
105.06985	0.3
107.61581	0.3
108.32392	0.3
109.02872	0.5
111.04467	0.4
117.06976	0.4
119.04943	1.7
127.03933	0.4
129.07008	0.4
131.08578	0.4
135.04355	0.3
145.10060	0.5
147.04427	3.8
148.04811	0.3
162.05554	0.6
163.03975	0.4
163.07559	0.3
163.11186	0.3
181.04944	0.4
187.11371	0.3
190.31134	0.3
204.10158	0.9
231.10060	0.4
236.85744	0.3
237.09094	0.9
247.09409	1.7
247.13188	0.5
248.12811	3.0
277.10678	0.4
294.13391	1.6
296.97726	0.4
299.66507	0.3
304.11566	0.3
332.46735	0.3
347.16803	0.6
392.33163	0.3
401.48843	0.3
409.18332	100.0
410.18604	7.5
434.00912	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98259	0.7
55.05490	0.8
57.07065	0.8
67.05497	1.4
69.03451	0.7
69.07032	0.7
69.73804	1.1
69.74159	3.0
70.87353	0.6
81.03366	0.7
81.07029	1.6
83.08630	0.6
85.06556	1.0
91.05468	0.9
97.02878	0.8
97.06525	0.8
105.07024	1.6
107.08581	1.4
110.23331	0.6
119.08555	3.5
133.10129	1.3
135.08093	0.7
135.90080	0.6
145.10109	1.1
147.04379	2.7
147.11650	4.2
156.13803	0.8
161.13336	1.5
174.42163	0.6
182.34531	0.7
203.05254	100.0
204.05620	2.7
215.82315	0.7
229.11971	37.3
229.21382	0.7
230.12331	1.2
247.09662	1.3
247.13034	1.0
391.19250	0.6
409.18307	12.4
409.23160	0.8
410.18512	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.5
67.05511	3.9
69.07069	0.8
70.20624	1.3
79.05494	2.1
81.07054	3.2
83.04960	0.8
84.53128	0.5
91.05484	2.3
93.07052	2.4
95.04965	1.2
95.08609	1.7
97.06532	0.8
105.07040	2.0
107.04999	0.6
107.08596	1.4
109.10168	1.4
117.07014	1.6
119.08591	2.1
121.06512	0.9
121.10147	1.3
123.08105	0.6
133.10144	1.0
135.08083	1.4
136.38736	0.5
143.87657	0.5
145.10117	1.2
147.11737	0.9
151.07626	0.5
157.10158	1.0
159.11778	0.5
161.09605	0.5
169.10172	0.6
173.11809	0.6
211.14923	0.5
221.15298	1.1
261.11108	0.4
295.15244	0.8
309.16663	1.2
374.95938	0.5
409.25632	100.0
410.26010	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	409.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29058	0.3
56.55314	0.3
64.48993	0.4
67.05509	1.9
69.06482	2.3
76.98780	0.3
78.22742	0.3
79.05493	0.9
81.07069	1.5
91.05481	1.0
93.07050	1.6
95.04978	0.6
95.08597	0.6
96.12177	0.3
97.06488	0.3
98.23367	0.6
105.07047	0.8
105.14352	0.3
107.08598	0.5
109.10147	1.2
117.07053	0.4
119.08575	0.6
121.10164	0.4
127.02089	0.3
133.10197	0.4
145.10143	0.3
157.10133	0.3
169.10040	0.3
221.15335	0.3
245.01987	0.4
295.15228	0.7
309.16483	0.5
335.22156	0.4
409.25616	100.0
410.25931	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2737
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03947	3.9
53.22039	3.3
55.01863	3.6
55.05513	17.7
57.03456	3.7
57.07067	7.6
59.04980	3.6
65.03956	4.5
67.05511	35.4
69.03431	9.7
69.07068	8.1
71.28758	3.8
71.29146	3.7
75.25954	3.1
75.56786	2.8
78.24110	2.8
79.05502	32.8
81.03410	4.4
81.06636	4.8
81.07067	43.2
83.04983	6.8
85.06587	3.5
91.05483	46.8
93.07047	46.9
95.04974	50.5
95.08609	29.8
97.06540	11.2
103.05486	3.6
105.07033	100.0
107.04967	3.4
107.08597	27.6
109.06535	13.7
109.10179	20.6
111.08076	7.0
115.05486	4.0
116.77680	3.1
117.07022	17.8
119.08583	65.5
119.09444	3.6
120.16713	3.4
121.06501	14.9
121.09392	3.9
121.10119	16.0
123.08063	18.1
123.74866	2.8
128.06232	5.3
129.07019	11.8
130.07784	3.3
131.08556	26.8
133.06464	4.9
133.10152	17.1
135.08047	20.2
135.33368	3.3
137.09608	5.4
141.06978	4.9
142.07773	14.0
143.08577	17.0
144.09364	5.1
145.06458	4.5
145.10133	33.5
145.23228	2.8
147.08072	13.8
147.11693	34.5
149.09618	12.6
151.07584	14.9
153.09106	3.3
155.08589	7.1
157.10136	19.9
158.10658	3.6
159.08070	4.9
159.11754	15.7
160.63164	2.8
161.09653	8.1
161.13200	3.9
163.11166	5.0
165.09123	22.5
167.08591	3.7
169.10158	12.6
171.11693	12.9
173.09601	6.1
173.13293	8.0
175.11172	22.7
175.14769	3.6
177.09161	5.3
180.16403	3.4
181.10133	4.5
183.11723	7.6
185.09709	3.8
185.13272	6.5
187.11160	6.1
187.14760	3.2
189.12738	5.8
194.10934	3.0
195.11690	7.0
197.09694	3.6
197.13297	4.2
199.11215	5.5
199.14809	4.7
201.12769	7.9
203.14314	10.9
207.13837	6.8
209.13376	6.2
209.15396	5.1
211.14886	3.2
213.12753	4.2
221.15369	53.1
222.15750	4.1
234.16101	12.0
238.07152	2.9
248.41251	3.7
253.15973	3.1
286.19391	3.6
287.19882	7.4
300.20633	4.2
329.21140	4.8
335.35562	3.2
375.27151	3.8
391.26352	8.3
409.27765	35.7
410.27338	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	409.2736
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03942	2.9
55.01879	2.9
55.05315	1.6
55.05514	18.4
57.07072	10.9
59.05008	4.1
67.05502	26.7
69.03436	10.0
69.07055	6.0
70.46658	4.4
70.46990	2.5
73.49242	1.9
76.77826	2.0
79.05486	25.4
79.30244	2.0
81.03405	3.5
81.07053	39.4
83.04974	7.7
83.08626	3.7
85.02945	2.2
85.06539	5.4
91.05480	38.7
93.06495	1.8
93.07040	51.3
95.04971	45.4
95.08607	37.2
97.06538	11.2
103.05457	5.3
105.07030	100.0
106.07344	3.0
107.04945	3.9
107.08603	24.5
109.06535	14.9
109.10175	15.4
111.08118	3.3
115.05451	4.5
117.07005	14.9
119.08580	53.3
121.06501	17.0
121.10165	18.5
123.08070	22.5
123.11660	3.0
128.06226	8.6
129.06992	9.7
130.07750	2.0
131.08591	27.9
133.06447	4.9
133.10114	18.7
135.08051	14.2
135.11708	4.0
137.09618	9.1
141.07014	4.2
142.07758	11.9
143.08583	21.4
144.09338	3.2
145.06522	3.2
145.10121	40.5
146.10545	2.6
147.08067	19.4
147.11696	35.4
149.09590	13.4
151.07530	19.2
153.09132	2.9
155.08551	11.6
156.09315	7.3
157.10110	23.5
159.08090	5.1
159.11676	15.9
161.09610	9.1
161.13261	5.0
163.11180	6.1
165.09116	37.5
166.09438	2.2
167.08566	4.6
168.09329	4.9
169.10117	12.0
170.10915	3.0
171.08005	3.2
171.11678	9.8
173.09583	5.3
173.13249	9.1
175.11179	21.4
177.09177	3.6
179.08557	2.8
181.10088	4.3
182.10916	2.1
183.11720	13.6
185.09541	2.2
185.13278	4.5
187.11183	4.3
187.14821	4.4
189.12737	8.0
191.14326	2.3
193.10124	2.4
195.11697	4.3
196.12390	2.5
197.13255	6.2
198.10635	2.3
199.11159	2.2
199.14775	2.6
201.12776	8.3
201.16302	2.0
203.14250	12.7
206.11034	2.3
207.11803	2.8
207.13855	6.6
209.13345	2.7
209.15366	3.1
211.14821	8.4
215.14336	3.3
219.13797	3.0
221.15364	68.5
222.15717	3.3
227.14252	2.1
229.15884	6.1
231.09264	2.3
231.13744	3.3
233.15433	3.4
234.16240	10.8
239.14005	2.1
255.13737	2.4
284.44366	2.5
287.20041	5.7
300.20828	3.3
329.21133	3.2
391.26193	8.8
409.27399	46.9
410.27692	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	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92413	1.7
53.03948	4.5
55.05508	19.2
57.07071	7.3
59.04993	3.1
59.24598	1.8
65.03941	3.0
67.05511	17.4
69.03426	8.5
69.06764	16.2
69.07112	4.6
71.05009	2.4
73.38973	1.6
79.05490	24.2
81.07059	37.8
83.04991	4.9
83.08620	2.1
91.05479	45.6
93.06469	3.6
93.07043	49.0
93.07629	3.5
95.04375	2.8
95.04977	45.9
95.08614	31.4
97.06518	11.3
105.04555	1.9
105.07027	100.0
106.07338	3.2
107.08593	25.5
109.06508	16.0
109.10165	8.7
111.08058	2.4
111.13237	2.2
113.54388	1.8
115.05437	3.2
116.06172	1.9
117.07026	18.5
119.04957	2.2
119.08582	67.4
120.08850	2.6
121.06496	18.4
121.10139	13.7
123.08085	22.5
128.06232	4.4
129.07025	7.5
130.07750	2.7
131.08568	28.0
133.06494	5.6
133.10135	28.0
135.08072	14.1
135.11693	4.7
137.09612	11.2
141.06975	4.0
142.07777	14.2
143.08574	17.5
144.09273	2.6
145.06494	3.5
145.10130	41.7
147.08017	19.7
147.11688	33.0
149.09616	10.9
151.07552	19.8
153.06963	2.1
154.07692	2.3
155.08571	5.8
156.09312	6.6
157.10143	24.7
159.08041	8.5
159.11694	17.0
161.09604	8.3
161.13245	4.9
163.11169	6.2
165.09122	32.1
167.08572	4.2
168.09299	4.8
169.10152	12.5
169.57562	1.9
171.11678	10.4
173.09628	7.8
173.13268	8.3
174.10379	2.3
175.11194	23.3
175.14845	2.6
177.09151	3.0
178.09911	2.1
179.08699	2.3
181.10146	4.9
182.10860	3.3
183.11697	13.4
185.09674	3.1
185.13271	4.6
186.10031	2.4
187.11192	5.1
189.12750	8.1
191.14262	3.8
193.10330	2.0
195.11670	6.3
196.12575	2.5
197.13266	5.0
199.24023	1.8
201.12735	9.9
201.16469	2.3
203.14262	10.8
207.11957	2.7
207.13812	8.3
209.13326	3.2
209.15236	3.2
211.11191	2.6
211.14856	6.7
215.14337	3.3
219.11957	2.1
219.13898	5.4
221.13264	4.4
221.15370	63.4
222.15717	2.5
223.14848	2.1
225.16226	2.2
227.14354	3.6
229.15915	6.1
233.15413	2.5
234.16115	12.7
286.19028	2.3
287.20081	5.9
300.20798	5.2
317.21225	2.3
328.19293	2.0
329.20786	2.8
391.26190	6.2
409.27356	47.4
410.27661	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.4
54.46107	1.9
55.05514	18.5
57.07081	9.3
59.05004	2.7
65.03942	3.1
67.05508	23.1
69.03428	10.5
69.07066	10.5
69.58207	7.0
69.58606	4.1
71.05006	2.5
79.05497	21.7
81.03397	2.1
81.07056	34.9
83.04985	5.0
85.06556	5.7
91.05481	39.3
91.06009	2.8
92.05824	2.0
92.80025	2.1
93.07044	54.8
95.04974	50.3
95.08613	35.4
97.06529	13.6
103.05487	4.4
105.07034	100.0
106.07362	2.7
107.04989	2.4
107.08594	28.2
109.06525	15.0
109.10152	10.3
111.08073	3.4
115.05491	3.0
117.07008	14.4
119.08588	66.9
121.06516	17.5
121.10150	17.2
123.08072	23.5
128.06245	7.0
129.07033	7.0
130.07809	5.8
131.08566	26.1
133.06471	5.8
133.10130	17.6
135.08076	13.2
135.11700	5.2
137.09604	11.0
141.06992	3.5
142.07774	11.4
143.08566	15.6
144.09389	3.7
145.10132	42.7
146.07219	3.1
147.08060	22.2
147.11699	32.5
149.09604	12.0
151.07549	28.4
153.07062	3.8
153.09143	3.3
155.08556	11.7
156.09355	4.5
157.10158	23.1
159.08070	6.9
159.11690	17.1
161.09669	8.7
161.13287	6.8
163.11211	5.6
165.09111	37.8
166.07742	2.2
167.08591	2.3
167.10825	1.9
168.09378	3.9
169.10164	12.3
170.10939	2.6
171.11623	9.8
173.09630	7.2
173.13272	6.2
175.11194	21.4
177.09149	5.1
179.08553	2.8
181.10107	5.0
183.11696	10.7
185.09607	3.3
185.13260	5.9
187.11203	5.7
187.13116	1.7
187.14813	2.8
189.12779	8.3
191.14372	3.0
193.10197	2.1
193.12323	1.8
194.10928	2.8
195.11748	5.4
197.13402	2.2
199.11182	5.2
199.14781	3.5
201.12842	10.0
201.16367	2.6
203.14365	15.6
207.13821	8.0
209.13257	5.2
209.15375	4.1
211.14862	7.5
213.12782	2.3
215.14304	3.4
219.13852	4.1
221.15364	69.8
221.17519	3.9
222.15797	4.4
225.16580	2.5
229.15814	5.9
231.13760	2.7
233.15376	3.0
234.16132	10.8
264.15073	2.0
286.19351	5.0
287.20065	10.8
300.20914	3.3
303.82144	2.1
307.20395	2.2
329.21146	6.5
391.26343	6.9
409.12869	4.4
409.27383	47.1
410.14005	2.1
410.27710	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	409.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.7
55.01876	2.6
55.05511	18.4
57.07066	8.0
59.04992	5.1
65.03941	3.5
67.05503	22.1
69.03424	8.2
69.07079	8.2
77.03916	1.5
79.05492	24.0
81.03437	1.8
81.07057	31.2
83.04989	6.0
83.08620	1.7
85.06541	3.3
91.05478	37.5
93.07043	48.8
93.07632	2.7
94.07376	1.9
95.04970	53.6
95.08607	30.4
97.06538	9.2
103.05449	2.6
105.04491	1.8
105.07030	100.0
106.07377	3.7
107.04893	2.6
107.08600	23.5
109.06499	12.8
109.10153	8.6
111.08073	2.6
115.05457	3.7
117.07021	16.0
119.04933	1.9
119.08582	61.0
120.08892	2.1
121.06495	18.5
121.10139	17.1
123.08073	20.4
125.05993	1.8
128.06209	4.8
129.06996	7.8
129.30865	1.6
130.07785	6.7
131.08563	19.0
132.09360	2.3
133.06490	3.9
133.10129	20.1
135.08057	16.1
135.11690	5.6
137.05984	2.5
137.09593	10.3
141.07010	5.2
142.07779	11.1
143.08563	13.0
144.09341	4.7
145.06488	2.5
145.10132	39.2
146.10823	2.7
147.08063	20.5
147.11668	35.1
147.12762	2.4
148.12006	1.5
149.09630	11.4
151.07556	20.8
153.06897	1.5
153.09140	2.9
154.07722	1.8
155.08507	8.9
156.09372	6.7
157.10130	19.7
158.10901	2.8
159.08055	4.5
159.11714	13.4
160.08832	2.6
161.09644	8.7
161.13290	5.1
163.11211	5.3
165.07030	1.8
165.09114	37.7
167.08499	2.1
168.09302	3.5
169.10164	9.5
170.10878	3.1
171.11700	8.2
172.08888	1.9
173.09634	5.9
173.13245	7.2
175.11168	23.0
175.14832	1.5
176.11658	1.4
177.09103	4.3
178.09857	1.6
179.08630	1.6
180.09204	1.4
181.10112	4.1
182.10942	2.1
183.11729	10.2
185.09653	2.2
185.13246	5.9
187.11157	4.2
187.14819	2.8
189.12769	6.5
191.14287	2.4
193.10114	1.7
195.11694	3.8
196.12509	3.2
197.13321	3.3
199.11182	3.7
199.14810	3.6
201.12764	9.2
201.16360	2.5
203.14311	18.3
204.14748	2.4
207.13780	8.9
209.13348	3.1
209.15332	2.7
211.14857	5.1
213.12712	2.4
215.14299	2.3
216.14999	1.8
219.13789	3.7
221.15363	75.0
222.15726	4.1
223.14761	1.3
225.16321	1.8
227.14232	2.0
229.15956	4.2
231.13885	4.2
233.13304	1.6
233.15479	2.4
234.16139	13.0
239.14330	1.5
249.16397	2.2
253.15913	1.8
255.17387	1.6
269.19040	2.5
286.19373	3.6
287.20190	7.0
299.19858	1.5
300.20807	5.5
313.21478	2.0
329.21207	5.3
391.26312	5.0
409.27380	39.3
410.27808	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	409.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.3
55.01853	2.7
55.05510	18.5
57.07061	8.2
59.05000	3.4
65.03942	3.1
67.05512	16.5
69.03426	6.7
69.07048	5.4
70.44320	4.8
70.44676	2.6
71.04958	2.4
79.05485	21.2
81.03407	2.2
81.07053	29.4
83.04977	4.8
85.06557	4.2
89.05988	2.2
91.04956	1.4
91.05475	41.4
93.07047	48.6
95.04967	45.3
95.08607	28.2
97.06519	11.3
103.05470	2.8
105.07030	100.0
106.07336	3.3
107.08595	26.3
109.06515	12.6
109.10152	8.6
115.05443	4.6
117.07039	12.1
119.08578	68.8
121.06495	18.4
121.10139	13.9
123.08065	16.8
128.06168	4.9
129.06999	9.3
130.07791	4.5
131.08568	24.2
133.06464	5.6
133.10117	16.4
135.08031	14.9
135.11681	2.5
137.09604	11.1
141.07001	5.0
142.07793	13.7
143.08530	13.1
143.48993	2.4
144.09265	3.3
145.06461	3.6
145.10109	37.4
147.08031	23.8
147.11685	33.1
149.09633	11.0
151.07524	24.8
153.07034	3.5
153.09109	2.7
155.08522	9.1
156.09355	4.6
157.10135	20.4
159.08058	5.1
159.11703	13.4
161.09601	8.8
161.13254	2.7
163.11131	5.8
165.09108	41.0
167.08553	2.6
168.09346	4.8
169.10110	9.2
170.10880	3.0
171.11659	12.3
173.09619	5.8
173.13257	8.1
175.11191	20.6
177.09135	4.4
181.10124	4.4
182.10909	3.5
183.11646	14.7
185.13275	4.5
187.11234	2.3
187.14827	2.7
189.12709	6.3
191.14297	2.9
193.10147	2.5
194.10893	2.8
195.11629	2.9
196.12466	2.2
197.13260	3.9
199.11157	4.5
201.12767	10.2
201.16362	3.4
202.13470	2.7
203.14308	18.8
207.13799	8.1
209.15378	5.8
211.14845	8.4
215.14349	2.6
219.13869	2.1
221.15350	84.7
222.15800	3.4
229.15868	8.1
231.13789	3.8
233.15294	4.5
234.16118	14.2
258.87469	2.2
286.19113	6.9
286.67368	2.3
287.20059	9.1
300.20700	3.5
329.21057	7.2
348.00262	2.1
391.26053	6.2
409.27396	47.1
410.27655	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	409.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.9
53.31096	2.7
55.05514	17.4
55.92395	2.4
57.03421	2.8
57.07076	8.9
59.04991	3.1
63.71460	2.5
66.96976	3.4
67.05503	21.5
69.03426	5.7
69.07066	7.9
69.36272	18.6
79.05498	26.1
81.03421	3.2
81.07056	34.1
83.04984	5.4
84.14828	2.6
85.06551	5.0
91.05480	37.3
93.07045	39.2
95.04971	44.4
95.08606	28.4
97.06542	12.5
103.05472	4.0
105.07031	100.0
107.08591	22.1
109.06547	13.7
109.10149	17.4
114.51446	2.8
115.05465	3.9
117.07027	15.5
119.08582	69.2
120.08915	3.6
121.06519	19.7
121.10157	12.0
123.08080	21.4
125.06037	2.5
128.06238	5.9
129.07007	10.9
130.07796	4.0
131.08572	25.2
133.06516	5.3
133.10097	16.8
135.08061	11.8
135.11719	3.9
137.09619	7.6
141.55150	2.8
142.07834	13.7
143.08589	17.6
144.09314	6.1
145.10110	35.9
147.08054	19.0
147.11691	32.1
149.09599	9.9
151.07529	21.2
155.08589	8.9
156.09348	6.4
157.10150	23.6
159.08130	5.3
159.11652	15.5
161.09607	8.9
161.13220	3.5
163.11211	3.4
165.09109	36.7
167.08536	4.4
168.09387	4.9
169.10147	10.1
171.08272	2.7
171.11711	12.1
173.09637	4.5
173.13309	5.3
175.11197	24.8
177.09109	6.4
181.10135	5.7
183.11668	11.1
185.13271	5.8
187.11121	3.1
187.14781	3.7
189.12772	7.0
195.11662	4.5
196.12480	3.0
197.13174	3.4
201.12711	5.8
203.14363	8.7
207.11896	3.2
207.13847	10.5
209.13266	5.3
209.15297	3.8
211.14871	5.1
219.13849	5.6
221.13351	2.7
221.15356	65.6
222.15659	4.4
229.15913	7.5
233.15317	5.7
234.16177	11.5
274.69632	3.0
287.19940	7.2
325.76047	3.1
329.21094	5.4
391.26178	5.7
409.27344	62.4
410.27838	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	409.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
55.01855	1.7
55.05511	21.3
57.07080	8.3
59.04991	4.4
63.23373	1.4
65.03944	2.4
67.05503	19.5
69.03436	9.7
69.07061	7.4
69.17786	3.9
69.18188	9.7
71.04978	2.6
77.03948	1.7
79.05489	22.2
79.60340	1.6
81.07056	36.0
83.04974	7.2
83.08627	1.8
85.06532	3.4
91.05482	43.9
93.07045	47.9
94.07376	2.0
95.04971	47.6
95.08612	35.2
96.05307	1.5
97.06523	11.1
98.22648	1.9
103.05452	1.8
105.04565	2.4
105.07031	100.0
106.07347	2.6
107.08578	25.5
108.05758	2.0
109.06523	13.2
109.10144	10.1
111.08067	4.8
115.05441	5.1
117.00535	1.5
117.07020	13.7
119.08581	67.7
121.06525	19.6
121.10167	18.4
123.08078	22.1
128.06216	4.1
129.06984	12.4
130.07759	5.1
131.08565	27.9
133.06470	3.7
133.10124	21.0
135.08044	17.7
135.11684	3.9
137.05972	2.0
137.09604	9.3
141.06993	5.4
142.07779	15.0
143.08568	16.3
144.09250	2.1
145.06471	3.0
145.10117	40.4
146.10902	1.7
147.07014	2.9
147.08044	21.5
147.11691	35.2
149.09631	10.9
151.07539	22.6
153.06927	1.8
153.09064	2.9
154.07704	2.2
155.08562	9.1
156.09314	6.8
157.10127	21.6
158.10504	2.0
159.08055	5.6
159.11699	14.1
160.08855	2.0
161.09618	7.3
161.11920	1.7
161.13261	6.8
163.11189	4.4
165.09113	41.0
167.08548	4.2
168.09360	4.1
169.10078	9.6
170.10884	3.0
171.11707	10.4
173.09619	4.9
173.13217	7.9
175.11166	18.7
175.14835	2.4
177.09138	3.9
181.10110	4.9
182.10988	2.7
183.11673	9.9
185.09425	1.9
185.13251	5.1
187.11174	6.1
187.14803	4.1
189.12747	5.2
191.14296	4.0
192.11432	1.9
193.10130	3.5
195.11664	3.7
196.12463	3.0
197.13275	4.5
199.11159	4.4
199.14891	3.1
201.12753	11.8
201.16321	2.8
203.14352	15.6
207.12033	1.9
207.13800	10.1
209.13235	2.4
209.15187	2.3
211.14801	7.1
213.12758	3.1
215.14172	1.9
219.13806	4.0
221.13362	3.2
221.15343	74.2
222.15730	3.8
223.14761	3.2
225.12849	1.9
225.16154	3.4
229.15854	5.8
231.13744	3.1
233.15480	2.8
234.16122	12.6
236.94362	1.6
241.15866	1.9
247.17181	1.7
286.19104	3.0
287.19989	7.3
299.20123	2.1
300.20743	3.9
312.20532	1.9
329.21149	4.7
391.26202	6.4
404.95236	1.9
409.12646	7.3
409.27344	38.0
410.13367	2.8
410.27771	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	15.6
57.07077	100.0
58.93717	6.7
67.05492	7.7
68.98360	63.6
69.07068	20.5
71.08632	94.1
81.07047	18.5
85.10190	66.3
91.05488	15.7
93.07053	15.9
95.08617	21.3
97.10186	7.0
98.02628	5.9
99.11667	8.7
105.07002	8.8
107.08585	24.9
109.10181	10.2
119.08561	10.4
121.10175	6.5
133.10129	9.3
135.08055	12.0
135.11670	11.3
137.05940	9.9
139.07571	8.0
147.11679	9.6
149.09627	7.7
151.07555	51.8
163.07542	15.3
165.09143	44.3
171.75522	7.2
173.13141	7.5
177.09120	37.8
179.10626	13.8
187.49077	7.5
191.10709	14.8
201.12755	9.0
205.12267	8.6
219.13924	9.2
251.16432	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	410.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04055	2.6
53.03947	3.4
57.03434	4.0
59.71333	2.9
61.02924	11.8
64.48977	2.6
65.03929	3.4
67.05512	2.7
69.03442	26.1
69.57881	15.1
72.63602	2.2
78.41835	2.7
81.03407	15.3
83.04960	4.0
85.02906	100.0
87.04483	4.6
91.03962	8.5
91.05468	4.1
94.04185	15.9
96.65633	2.6
97.02905	33.7
99.04453	8.6
109.02892	15.9
115.03979	2.6
122.49831	2.6
127.03918	27.0
129.07037	5.9
141.06982	7.4
145.04936	40.5
149.09698	3.1
153.05748	2.7
157.06465	4.6
163.06029	4.4
169.06496	13.7
179.78230	2.8
180.08679	5.6
187.07571	8.7
213.05481	67.1
214.05821	4.7
231.06522	67.9
410.14908	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	410.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.5
55.01871	4.2
57.03442	44.9
61.02925	12.7
67.05505	3.5
69.03433	38.0
69.68737	11.0
71.01360	5.6
71.05000	2.4
73.02506	5.1
73.02921	92.3
75.82120	2.0
79.05526	3.4
81.03418	100.0
83.04993	10.5
84.41554	2.1
85.02902	49.5
87.04469	5.2
91.05495	5.5
95.04974	59.0
97.02894	56.7
97.03520	4.0
98.23288	2.7
98.97594	3.2
99.04462	4.0
103.03929	3.4
105.07059	2.5
107.04960	6.9
108.82781	2.3
109.02871	6.2
109.06498	2.7
111.04445	2.5
115.03934	46.0
115.05341	2.2
119.04946	10.1
121.02897	6.8
121.06528	5.2
123.04434	39.4
127.03908	15.8
131.04970	2.5
132.06633	3.9
133.04977	12.1
133.06494	3.3
135.04440	9.3
137.05981	4.7
142.71249	2.5
145.04939	18.8
147.04463	3.8
149.06001	8.6
150.07637	7.9
153.05501	2.7
158.50557	2.2
161.06010	7.5
163.06059	4.5
165.05554	3.9
167.07518	2.4
177.05438	4.5
179.07030	4.2
195.06557	10.5
199.05943	2.7
207.06505	15.8
213.07565	4.0
223.06017	5.9
225.07574	21.8
241.07228	5.4
243.08806	2.8
248.09892	3.1
259.08084	3.7
295.10199	2.7
361.10907	2.2
368.06152	2.2
410.14294	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	410.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.1
55.01882	2.5
57.03437	50.0
58.38994	2.1
61.02929	13.5
67.05510	4.5
68.40957	2.4
69.03074	1.5
69.03428	42.2
70.54359	5.4
70.54698	2.8
71.01360	5.3
73.02915	98.5
75.02671	2.2
79.05476	4.1
81.03416	100.0
82.03757	4.6
83.04987	11.5
85.02905	51.0
87.04476	4.2
91.03889	2.0
91.05481	5.1
92.48900	2.3
95.04966	76.2
95.05563	4.0
97.02890	56.7
99.04484	3.5
103.03947	3.7
104.52225	2.4
105.07046	3.5
107.04952	9.2
109.02885	7.7
109.06525	2.1
111.04478	4.1
115.03930	51.7
119.04947	8.1
121.02885	7.5
121.06511	3.4
123.04428	43.6
127.03921	13.2
132.06578	3.7
133.04987	17.9
133.06503	5.8
135.04419	8.4
137.06001	4.7
145.04964	18.7
149.05971	5.6
150.07578	4.2
151.03928	2.9
153.05495	3.1
161.05980	11.3
163.05995	7.1
165.05496	3.0
177.05557	7.5
179.07013	4.6
195.06493	11.2
207.06529	14.2
213.07643	4.2
223.06007	4.5
225.07602	21.1
241.06963	3.1
288.79709	2.3
295.10254	2.8
408.82104	2.3
410.14404	6.2
419.61945	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	410.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.6
57.07074	6.8
58.06572	2.6
65.03917	2.8
67.05473	1.0
69.03404	0.9
69.07047	0.9
70.06592	22.8
71.08639	4.3
78.89108	0.7
81.07031	2.0
88.07633	29.9
91.05491	0.9
93.07014	1.0
95.04979	0.7
97.06461	0.9
98.22619	1.4
102.09187	18.0
105.06973	0.9
109.10156	0.8
119.08595	0.7
121.02860	1.5
139.03877	2.3
149.02348	76.1
149.03441	4.5
150.02676	2.4
153.36583	0.6
156.17459	0.9
163.03830	1.0
193.04967	72.5
194.05290	2.7
200.20097	84.5
201.20480	3.6
237.07576	98.2
238.07919	5.2
295.47977	0.8
311.12759	1.0
410.25369	100.0
411.17871	2.6
411.25745	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34797	2.5
53.03946	3.4
54.52006	2.7
55.05515	8.1
57.07087	3.8
64.28645	3.1
67.05516	5.8
69.03430	10.9
69.07057	3.8
71.29806	5.8
72.09474	2.5
79.05519	3.4
81.03399	5.3
81.07062	8.8
83.04973	19.7
85.02917	4.9
85.06548	34.6
91.05466	13.5
93.07077	4.7
95.04972	2.8
95.08625	4.1
97.02905	11.2
100.11230	3.5
101.05957	3.0
105.07057	5.8
107.04982	9.9
107.08619	3.6
109.02879	6.6
109.06552	6.2
119.04960	17.1
119.08604	5.6
121.10135	5.1
125.06036	3.1
127.03912	6.9
131.04973	3.1
131.08580	4.7
135.08067	3.0
137.09706	3.3
141.07202	2.8
147.04413	74.1
147.11748	4.5
148.04712	6.7
163.03867	6.0
167.16048	3.4
189.12730	3.3
203.05354	4.0
213.12701	3.0
231.13676	6.3
249.15016	5.5
300.06003	5.8
411.19965	100.0
412.20148	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	411.1989
Annotation	diflorasone
Peak:m/z	Relative Intensity
55.01858	0.3
57.03426	0.8
61.02936	0.6
69.03428	2.2
70.06593	0.3
70.63173	0.5
70.63516	0.4
73.02898	0.8
81.03439	0.6
81.81480	0.3
83.04986	0.5
85.02910	3.7
86.40871	0.3
87.00830	0.3
91.05500	0.5
92.05792	0.3
93.07049	0.5
97.02895	1.9
99.04434	0.6
105.01900	0.3
105.07058	0.4
106.55291	0.2
107.04903	0.6
109.02897	0.6
112.19750	0.3
115.03934	0.7
119.04941	0.3
119.08619	0.5
121.10174	0.3
123.08024	0.3
127.03885	1.3
131.08551	0.3
135.08066	0.3
141.09117	0.3
141.48152	0.3
145.04956	1.4
147.04391	1.7
147.08083	0.3
161.13213	0.3
163.06071	0.8
170.88722	0.3
187.49535	0.3
203.05315	1.2
231.13779	0.6
249.14838	0.7
393.18979	0.7
411.19870	100.0
412.15628	0.7
412.20236	8.8
420.46423	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.4
67.05510	0.6
69.03431	1.2
70.90321	0.4
72.43085	0.2
77.74667	0.2
79.05486	0.3
81.03392	0.3
81.07062	0.4
83.04988	1.8
83.08624	0.4
86.09692	0.4
91.05450	0.2
95.08645	0.4
105.07064	0.4
107.04937	0.4
107.08572	0.3
121.10199	0.3
147.04414	0.8
149.13213	0.3
153.80475	0.2
184.07349	1.2
193.78363	0.2
203.05260	3.8
210.33760	0.3
223.07373	0.3
231.10204	0.6
231.13564	2.3
249.14662	0.9
267.06094	0.3
349.58957	0.3
353.15686	8.7
354.16016	0.9
367.17499	0.3
393.18903	1.1
411.19873	100.0
412.14874	0.4
412.20227	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	411.1989
Annotation	diflorasone
Peak:m/z	Relative Intensity
50.10660	0.3
55.01862	0.4
57.03421	0.3
61.06903	0.3
67.05489	0.5
69.03436	1.4
70.06599	0.5
71.29828	0.5
79.05484	0.4
81.03436	0.4
81.07063	0.7
83.04995	0.4
84.04517	0.7
85.02894	0.5
95.04980	0.7
95.16931	0.3
97.06538	0.3
98.97579	1.1
105.07082	0.3
107.04997	0.5
107.08573	0.5
109.02834	0.3
116.98587	0.6
117.03429	0.4
117.07035	0.4
118.78262	0.3
119.04942	0.4
119.08613	0.3
121.06542	0.3
127.03922	0.6
135.04475	0.4
136.06258	0.7
145.02802	0.5
147.04442	1.1
151.17467	0.3
152.90446	0.3
157.21886	0.3
163.03911	1.4
183.39778	0.3
188.79750	0.4
203.05264	4.4
210.87987	0.4
231.13510	1.5
249.14650	0.4
291.05447	0.4
294.63531	0.4
353.15762	8.8
354.16278	0.8
411.19916	100.0
412.14938	0.5
412.20306	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	411.199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.4
64.57834	0.2
67.05492	0.2
67.11809	0.2
69.03439	0.6
79.05496	0.3
81.03395	0.2
83.04993	0.6
85.02920	0.3
93.07051	0.2
95.08622	0.6
97.06563	0.2
105.07011	0.4
107.08604	0.6
112.72240	0.2
119.08548	0.2
121.10130	0.5
131.08485	0.2
133.10109	0.4
135.08038	0.3
135.11691	0.3
147.04419	0.5
162.05516	0.2
163.03860	0.4
170.01158	0.2
173.13336	0.2
201.03697	0.2
203.03316	0.3
203.05267	6.0
204.05606	0.4
228.70219	0.2
231.13565	2.9
246.16869	0.2
249.14771	0.4
279.08179	0.2
302.14984	0.2
316.51172	0.2
393.18829	0.8
394.19778	0.3
411.19904	100.0
412.15747	0.5
412.20239	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	411.1994
Annotation	diflorasone
Peak:m/z	Relative Intensity
53.89798	0.3
55.05508	1.2
56.12695	0.4
59.47695	0.3
67.05510	0.7
69.03443	1.1
69.07072	0.4
71.05022	0.4
71.29858	0.5
71.30231	0.3
79.05502	0.9
79.69984	0.3
81.03419	0.7
81.07047	1.0
83.04980	2.8
84.04510	0.4
85.02916	0.6
91.05472	0.9
93.07040	0.6
95.04983	0.8
97.06544	0.3
105.07053	0.9
107.04974	0.6
107.08588	0.8
109.06507	0.4
109.10133	0.5
113.09642	0.3
119.08582	0.5
125.05972	0.3
127.03944	0.7
129.06911	0.3
131.08606	0.5
136.06229	0.5
147.04417	0.7
147.08023	0.9
147.09143	0.5
162.04204	0.8
189.05344	0.4
197.49648	0.3
203.05315	1.8
203.14383	0.4
231.13733	1.5
237.09163	0.5
241.45810	0.3
249.11139	0.4
249.14777	1.2
269.91888	0.4
280.09671	0.6
292.14041	0.4
335.14294	0.4
407.51532	0.4
411.19922	100.0
412.14066	0.9
412.20190	7.9
430.55469	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.6
55.05508	3.8
57.03433	34.6
59.04994	2.0
61.02921	13.5
61.06322	1.4
69.03046	1.9
69.03429	35.5
69.28350	6.6
69.28754	3.2
71.01351	3.6
71.04998	7.7
73.02914	66.2
81.03407	7.2
81.07051	1.8
83.08613	6.3
85.02901	100.0
87.04463	5.4
87.43925	1.4
91.03948	6.6
93.07022	2.2
97.02887	61.0
99.04436	3.8
101.09643	3.1
109.02872	8.4
109.06529	1.7
115.03925	43.2
127.03908	28.9
129.09108	3.7
132.06508	2.7
133.04968	15.5
135.08087	1.4
139.07500	3.6
141.09160	3.5
145.03876	3.3
145.04956	45.8
146.05302	2.0
150.07581	4.4
163.06018	22.5
167.10614	1.8
184.07349	3.2
209.11772	2.3
223.05939	4.1
227.12665	2.1
233.12064	1.5
241.07086	4.2
245.13799	4.5
249.24905	1.6
259.08154	3.6
263.14941	5.4
295.10257	2.6
331.20605	1.5
342.32220	1.6
385.76263	1.5
400.32462	1.5
412.19537	3.3
430.24060	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53548	0.9
57.03436	7.5
59.25448	0.8
61.02913	4.8
67.05536	1.0
69.03426	13.1
70.11929	1.1
71.01371	1.2
71.28027	1.2
73.02912	18.5
79.05498	1.6
79.62455	1.0
79.99848	1.1
81.03415	4.0
83.08624	1.7
85.02902	41.2
86.03241	1.0
87.04476	2.0
91.03967	2.0
91.05480	1.0
93.07034	1.2
97.02889	18.6
99.04478	1.0
107.04939	1.6
109.02875	3.9
115.03935	8.4
118.42399	1.0
123.08087	1.2
127.03925	12.0
128.51367	1.0
133.04987	2.9
134.89043	0.9
135.82510	0.9
136.32970	0.9
145.04959	19.4
147.04372	0.9
163.06009	12.4
195.78485	1.0
203.05234	2.1
216.87885	1.1
223.05997	1.6
236.95430	0.9
241.07175	1.5
250.10973	1.0
250.15373	1.1
263.14984	1.6
394.19662	1.0
412.15909	3.8
412.20212	100.0
413.13461	2.4
413.20529	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	412.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	19.0
59.05007	84.9
67.05532	13.3
69.03433	19.1
69.07070	49.7
71.19801	14.6
73.06567	16.1
73.68552	8.6
79.05491	12.8
85.02913	14.8
85.92171	12.5
87.04452	9.3
91.05466	9.7
98.94466	10.5
103.22433	8.9
105.05511	30.7
111.11726	45.8
119.08619	11.8
125.89306	9.6
129.12776	100.0
219.30128	9.5
249.57468	10.1
251.12392	19.0
266.18652	10.3
306.43637	10.5
333.50513	10.3
413.21500	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	413.1414
Annotation	t(6)a
Peak:m/z	Relative Intensity
56.05041	0.8
69.44259	2.0
69.44660	0.7
70.06609	0.6
74.06068	2.1
82.33592	0.5
88.03064	0.4
88.72402	0.5
94.36423	0.4
102.05544	1.2
110.97543	0.5
119.03538	3.4
120.06586	9.3
136.06186	100.0
137.04605	1.5
137.06540	1.7
162.04118	64.4
163.04384	1.3
171.44954	0.5
252.81183	0.5
268.10272	0.8
281.09937	49.6
282.10223	2.0
401.67188	0.5
413.13956	1.0
414.11838	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.6
57.03428	0.3
60.16508	0.3
61.02910	0.3
67.05487	0.3
69.03436	1.4
69.07053	0.3
70.06612	0.3
71.29875	0.4
73.02920	0.3
79.05473	0.3
81.03412	0.5
81.07048	0.7
83.04980	0.5
83.95686	0.3
85.02901	2.6
91.05444	0.5
93.07027	0.4
95.04955	0.4
95.08595	0.4
97.02876	1.1
97.06524	0.4
97.30219	0.3
105.07023	0.6
107.08611	0.3
109.02867	0.4
109.06516	0.5
121.06520	0.3
123.08052	0.3
127.03908	0.6
131.08562	0.4
135.08058	0.4
145.04958	0.6
149.09627	1.0
151.07549	0.4
179.10660	1.0
184.24384	0.3
203.05275	0.5
233.11530	1.5
233.15358	1.1
251.12549	8.4
251.16473	0.5
252.12872	0.7
293.13614	0.3
296.38474	0.3
413.17767	100.0
414.18103	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	414.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29760	0.5
51.07863	0.5
65.13979	0.5
70.91241	1.3
80.12917	0.5
86.06066	0.5
87.04473	1.0
89.70534	0.4
94.02947	2.1
98.06041	4.0
108.04241	1.0
122.68362	0.5
124.03957	1.4
126.05515	10.8
136.07535	0.5
138.09125	0.7
139.18599	0.5
152.07059	2.0
166.08661	2.1
174.05286	1.9
180.06544	1.9
194.08072	0.8
202.04742	2.8
203.05266	5.2
204.06235	0.5
207.72064	0.6
212.09178	3.0
220.05792	2.9
234.07367	23.2
235.07686	1.2
241.34076	0.5
291.50665	0.5
338.11826	0.8
354.11780	0.9
382.11087	37.7
383.11404	2.2
414.13693	100.0
415.14078	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	414.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99036	0.6
65.39773	0.5
71.34058	0.9
87.04460	1.6
94.02913	1.8
98.06056	3.1
108.04247	1.5
124.03957	0.8
126.05524	9.9
136.91779	0.5
148.03700	0.8
152.07042	2.0
166.08649	2.8
174.05273	2.1
176.06808	0.9
180.06570	2.3
194.08116	1.1
202.04758	3.2
203.05249	5.2
212.09236	4.1
215.27725	0.5
220.05785	4.2
234.07359	19.8
235.07687	0.8
252.08237	0.5
274.14468	0.6
338.12070	0.9
354.11563	0.8
362.25955	0.5
382.11090	32.7
383.11389	2.2
414.13684	100.0
415.13998	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	414.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80722	2.4
57.03439	31.7
60.26209	2.3
61.02922	15.4
62.15715	2.5
66.74964	2.4
69.03429	45.3
69.31447	5.9
69.31850	16.4
71.01348	3.1
73.02510	3.7
73.02914	65.5
79.05506	2.8
81.03401	9.7
81.07048	5.6
83.04974	2.9
85.02902	100.0
85.06535	20.4
87.04469	5.5
90.15437	2.8
91.03943	5.5
95.04971	3.4
97.02284	4.1
97.02892	60.0
98.97566	6.5
99.04446	6.9
109.02832	6.0
109.06516	3.8
115.03928	44.4
127.03912	29.4
133.04962	15.8
145.04959	50.0
163.05954	17.1
181.08629	2.8
199.09616	5.2
208.06140	3.1
211.09625	4.2
217.10707	4.5
229.10628	12.1
234.07372	3.6
241.07106	2.8
295.10263	4.1
312.07422	3.1
382.11160	5.2
409.56723	2.6
414.13641	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.5
55.01883	2.5
56.26358	1.9
56.73934	1.6
57.03442	27.8
61.02940	11.7
65.23602	1.9
69.03092	2.7
69.03435	34.6
70.81127	4.5
70.81473	1.8
73.02922	57.3
74.59782	1.7
81.03435	9.1
81.07058	2.4
85.02910	100.0
87.04467	6.7
91.03959	5.7
93.07040	1.9
97.02895	52.6
97.06539	2.8
99.04461	4.4
109.02908	10.0
115.03934	34.9
127.03915	32.1
133.04973	15.7
145.04964	60.4
150.07634	4.5
163.06033	32.9
223.06104	3.1
232.14445	1.9
241.07085	5.3
259.08231	3.2
295.10190	2.4
411.87131	2.0
423.03979	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	414.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86883	2.4
54.54919	1.9
55.01850	2.4
57.03441	25.1
61.02935	12.2
69.03431	38.1
69.28971	6.9
69.29397	8.5
71.04999	3.0
72.54549	2.1
73.02924	55.9
75.77949	2.1
77.21625	1.9
79.05495	2.2
81.03413	6.9
82.98003	2.0
85.02906	100.0
85.10167	3.0
87.04486	3.2
91.03947	4.0
93.07053	2.0
97.02897	55.6
99.04453	3.1
109.02893	13.8
115.03938	32.6
125.52621	1.9
127.03914	32.2
133.04985	8.4
145.03886	3.4
145.04976	47.8
163.06029	34.3
173.57149	2.3
181.07162	2.1
223.06085	3.5
241.07072	4.8
257.12845	1.9
259.08221	2.2
333.13928	2.3
334.41833	2.4
414.13040	2.3
414.17990	8.6
415.19366	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	414.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
55.01876	3.6
55.05510	1.9
57.03439	34.1
61.02930	13.3
66.63611	1.6
68.82079	1.6
69.03429	39.5
69.16895	7.3
69.17318	5.9
71.05023	2.6
73.02917	61.2
80.56884	1.8
81.03437	6.8
81.44142	1.8
85.02908	100.0
86.03252	2.9
87.04476	9.0
91.03972	5.0
97.02889	54.6
98.03220	2.3
99.04462	4.8
103.03949	3.1
109.02892	8.1
115.03941	35.2
127.03922	30.1
133.04959	15.6
145.04962	56.4
146.87276	1.7
150.07632	3.2
163.06036	23.9
190.92528	1.8
223.06079	2.6
241.07126	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	414.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21287	0.4
50.97641	0.4
53.03944	1.0
55.05513	20.6
56.05034	0.4
56.05823	0.4
57.07079	13.1
58.06599	2.3
59.39116	0.5
67.05509	3.0
69.07070	28.1
70.07403	0.8
71.08636	9.2
76.38986	0.4
79.05487	1.3
81.07060	4.3
83.08619	24.1
84.08948	0.6
85.10179	4.6
91.05443	0.4
92.48135	0.5
93.07031	1.5
95.08614	4.0
97.10172	19.2
98.10517	0.5
98.22576	1.0
99.11751	0.8
102.05544	14.8
104.07104	100.0
105.07452	1.3
107.08588	1.2
109.10152	1.7
111.11721	9.6
117.65840	0.4
117.92648	0.5
119.08591	0.6
121.10141	1.6
123.11759	0.7
125.13255	3.6
135.11719	1.1
137.13264	0.5
139.14809	1.1
149.13246	0.9
152.24638	0.4
155.14256	0.5
163.14835	1.0
167.17867	0.5
168.74352	0.4
191.17946	0.6
195.17365	0.6
205.19569	0.5
209.18983	0.7
237.22121	0.6
275.27280	2.8
293.28394	7.6
294.28787	0.7
396.34744	12.2
396.40051	0.6
397.29541	0.4
397.34854	1.0
415.15002	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67820	0.5
56.23592	0.5
59.71624	0.5
69.03426	0.9
69.41658	3.3
70.03695	0.5
70.06599	2.5
72.08144	0.7
84.08144	0.6
85.02898	1.2
86.09675	0.9
91.05805	0.8
92.48914	0.6
94.06570	7.6
97.02907	0.6
98.97588	0.8
116.98633	0.5
122.09665	1.1
126.05469	0.6
138.05438	0.6
181.49072	0.5
191.15363	0.6
192.10150	0.6
235.14381	0.7
235.18053	2.5
246.23105	0.6
253.10535	0.8
274.97531	0.9
283.07693	1.0
292.98502	0.8
372.12643	0.7
397.14581	0.6
415.11969	100.0
416.12137	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	415.142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.6
55.01876	12.3
55.05505	5.1
57.03452	2.7
57.98797	2.1
58.99583	37.3
59.90509	1.7
60.49859	1.8
61.01146	4.8
67.05503	19.0
69.03082	3.5
69.03427	42.6
69.03775	3.2
69.07069	5.8
71.04979	1.8
71.29503	1.8
73.01146	2.2
75.02683	1.7
79.05503	12.4
81.03426	3.9
81.07051	28.9
83.04962	9.3
83.08607	2.2
85.01143	9.3
85.02896	5.9
86.99056	21.0
87.00834	3.7
87.02666	1.8
89.00600	4.9
91.05461	8.8
93.07027	11.3
95.04970	7.0
95.08613	11.2
97.02912	2.3
97.06547	5.2
99.02691	2.3
101.04245	8.1
105.00073	4.7
105.07027	18.7
107.08604	9.8
107.19955	1.8
109.02880	4.2
109.06506	17.9
109.10152	37.5
111.02724	2.6
111.08076	25.7
113.04208	2.2
117.07040	3.2
119.08581	15.1
121.06531	3.2
121.10140	44.8
123.08100	8.0
127.05721	2.4
129.03703	100.0
131.01630	64.5
131.05286	2.9
131.08620	3.5
133.10129	20.6
135.08069	5.0
135.11679	5.1
136.06749	1.6
137.05931	8.5
137.09613	27.9
139.11176	3.7
145.10129	3.3
147.08064	5.9
147.11743	3.9
149.09645	3.6
159.08032	3.6
159.11723	5.0
161.09662	4.0
161.13278	10.3
163.11186	16.8
165.09122	14.4
165.12784	2.4
174.10454	6.1
183.04808	4.2
187.11223	3.4
189.12743	64.3
190.13048	2.2
197.09955	4.4
205.92976	1.7
207.13803	46.4
208.14107	4.5
211.11478	4.9
221.09874	4.1
239.11011	33.9
240.11331	2.5
250.10762	4.1
312.25781	2.1
397.13135	8.2
415.18915	2.9
415.23560	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62808	0.4
53.03947	2.2
55.01877	3.0
55.05509	1.7
56.50909	0.4
57.03432	0.7
58.06602	2.2
58.99588	12.2
59.07376	0.6
59.96732	0.4
60.03502	0.4
60.08176	1.0
61.01144	0.9
65.03938	0.7
67.05508	5.3
67.50901	0.4
68.99792	1.3
69.03431	63.5
69.07066	0.8
69.18670	2.4
69.19086	1.2
70.03755	1.2
73.01141	5.5
73.39206	0.4
74.10626	0.4
75.02692	1.2
75.72429	0.4
77.00606	0.9
78.93285	0.4
79.05475	2.0
81.07070	2.0
83.04971	2.7
85.01133	7.6
86.99060	9.5
87.00828	8.9
87.04477	2.7
89.00614	1.4
89.04267	0.9
91.05470	0.9
93.07045	3.4
95.04985	2.2
95.08601	2.4
97.06540	0.8
99.02684	5.3
101.00600	1.2
103.02179	1.0
105.00088	5.6
105.07020	1.2
107.04924	0.7
107.08595	1.1
109.02880	14.1
109.06516	1.9
109.09454	0.9
109.10165	13.2
110.03201	0.5
110.10463	0.5
113.00592	36.1
113.04216	3.9
113.05981	0.8
117.03739	2.3
119.01653	2.6
119.08586	1.5
121.06529	1.4
121.10149	1.5
123.08072	1.8
127.02203	0.5
127.05783	1.2
131.01633	7.8
133.10097	0.8
134.34969	0.5
135.11711	0.5
137.05974	3.2
137.09619	4.5
139.11189	10.6
141.03703	1.5
145.03198	8.7
147.01157	0.5
147.11691	2.3
147.21442	0.4
149.05940	1.1
149.09589	0.5
151.07555	1.8
155.05229	0.7
162.11263	0.5
163.04247	4.0
163.11205	0.7
165.09123	1.7
173.02690	4.0
175.02357	0.6
183.04756	61.6
184.05067	2.4
189.12749	5.4
191.00124	3.5
191.01646	0.4
191.02177	0.5
191.03725	3.9
197.10039	0.8
203.08345	0.5
207.13742	2.7
236.14920	8.7
239.11009	100.0
240.11337	6.4
255.06763	0.6
283.13589	1.0
311.12915	1.3
329.14221	0.6
398.25250	1.8
415.23068	1.0
416.26447	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	415.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62130	0.4
52.06896	0.6
53.03951	1.7
55.01874	2.0
55.05511	1.9
57.03451	0.5
57.98797	0.4
58.99583	10.2
61.01141	0.8
65.03936	0.7
67.05502	4.4
68.99788	1.1
69.03429	56.6
69.07072	0.9
70.03770	1.0
70.43275	1.2
73.01138	5.4
73.87611	0.4
75.02699	1.0
77.00610	0.6
79.05492	2.0
81.07072	2.2
83.04964	0.9
83.08641	0.4
84.04487	1.2
84.35187	0.4
85.01128	6.2
85.02896	0.9
85.06581	0.5
86.99046	7.8
87.00824	6.3
87.04467	1.4
89.00616	0.8
89.04249	0.7
91.05461	0.9
93.07040	2.1
95.04969	1.6
95.08627	2.2
97.06550	0.8
98.22759	0.5
99.02683	4.3
101.00581	1.8
103.02168	1.4
105.00080	4.1
105.07027	1.2
107.04929	0.6
107.07694	0.4
107.08572	1.1
109.02875	13.0
109.06486	1.2
109.10152	12.5
113.00587	35.1
113.04214	3.4
114.00961	0.7
117.03684	2.2
119.01653	2.3
119.08595	1.3
121.06510	1.2
121.10137	1.7
123.04428	0.4
123.08054	1.0
127.05806	0.5
129.01787	0.6
130.05022	0.5
131.01613	6.9
133.10135	0.9
135.08058	0.8
137.05991	4.3
137.09615	3.6
139.11171	8.9
141.03685	1.8
145.03171	8.0
145.10149	0.4
147.01135	0.7
147.11664	1.2
149.05940	0.8
151.07558	1.2
163.04247	4.1
165.09132	1.1
173.02684	3.5
175.02422	0.4
183.04747	62.4
184.05070	2.3
189.12761	4.4
191.00113	2.3
191.03738	2.5
197.09926	0.7
201.12659	0.5
207.13791	2.0
239.10992	100.0
240.11296	5.5
283.13715	2.4
288.02728	0.4
311.13068	1.8
329.14038	0.9
338.58258	0.5
415.18747	1.0
415.23526	0.8
436.03586	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.9
56.96570	4.7
67.05505	1.3
69.07079	1.1
71.30515	0.5
71.31215	0.6
71.67080	0.5
71.95260	0.6
79.05495	1.0
81.07057	6.7
91.05503	0.7
93.07099	0.8
95.08614	1.6
98.97586	100.0
99.97905	0.7
105.07045	0.7
107.08602	1.1
109.10197	0.8
110.97550	1.0
116.98627	46.1
117.98945	0.5
119.08588	0.9
119.85777	0.5
121.10155	0.7
128.98587	0.9
130.70602	0.4
134.99658	13.4
135.00641	0.9
140.00156	1.5
145.10112	0.9
153.00745	1.1
158.01248	1.1
158.99658	51.5
160.00006	1.0
166.71812	0.5
174.99138	0.6
177.00717	68.7
178.01025	1.3
180.20169	0.5
186.99155	0.9
189.00693	0.7
195.01776	6.7
200.02301	3.8
214.21471	0.6
219.01767	31.7
219.17436	0.7
220.02106	1.4
237.02809	17.8
260.04459	1.3
277.02408	0.8
279.03857	11.6
280.04407	0.7
295.03406	2.4
295.12085	1.4
297.04907	1.8
317.21454	0.6
320.06546	0.5
348.87265	0.6
355.14325	5.3
373.15262	2.4
415.11340	0.6
415.16495	2.0
416.16162	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33398	1.0
58.10622	1.1
69.51357	6.2
70.06593	21.2
80.29704	1.3
83.51616	1.2
95.14581	1.1
112.08720	7.5
134.09641	1.1
135.42249	1.1
185.78581	1.0
193.14522	4.2
197.39137	1.1
203.25317	1.2
236.03148	2.0
342.95770	1.4
382.10980	1.2
398.08487	4.0
416.09525	100.0
417.09912	6.2
417.19836	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	416.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.6
55.05507	1.2
57.03428	1.9
67.05513	4.0
69.03420	1.0
69.07078	6.3
79.05492	8.9
81.03455	1.0
81.07050	2.3
81.86218	0.9
85.06550	1.0
91.88342	0.9
92.19073	0.8
95.05008	1.4
95.08624	1.4
97.06532	100.0
98.06853	1.9
105.07040	1.3
109.06546	1.6
109.10204	0.8
115.58872	0.9
123.04449	1.8
129.06976	1.0
143.08582	0.9
145.06471	1.4
147.08098	0.9
149.88921	0.8
151.07541	2.1
155.08572	1.3
161.05986	1.6
161.09561	0.9
171.08078	1.4
173.05974	1.2
173.09653	0.8
175.07481	2.2
184.08769	1.0
185.06035	1.5
185.09645	1.3
187.07564	2.4
188.08394	1.2
189.09106	2.6
195.08006	0.9
197.06175	1.0
198.10303	0.9
199.07565	4.0
199.11354	1.1
201.09109	3.6
203.10718	1.9
211.07542	1.2
211.11145	1.8
213.09108	1.8
215.07094	2.2
215.10626	7.3
217.08563	1.4
219.10258	2.6
222.10368	1.1
223.07538	1.4
223.11166	1.1
225.09097	1.7
225.12631	1.0
226.09943	1.0
227.10715	2.2
228.76474	1.2
229.08662	1.1
229.12158	1.2
237.12804	1.1
238.09796	1.2
239.10553	1.8
239.14294	1.9
241.08525	1.2
241.12262	7.8
243.13762	2.5
247.13297	2.1
251.14404	1.2
253.12202	1.1
253.15660	2.0
255.13744	2.0
257.11813	1.7
257.15344	2.8
259.13309	2.6
263.14313	1.0
267.13806	3.1
268.14325	1.0
269.11624	2.0
271.13297	7.1
283.13422	1.0
285.14880	3.4
293.15390	1.2
295.13412	1.1
297.14981	1.6
299.16193	1.1
301.14325	2.0
307.16968	1.9
309.18405	1.5
311.13153	1.1
311.16367	4.9
312.16959	1.1
313.14349	1.1
315.15836	8.7
316.16370	1.1
319.16895	1.2
324.16998	1.1
334.15408	0.8
337.17896	8.6
343.19113	1.0
353.21054	8.6
354.21307	1.0
355.18988	5.9
363.19595	3.0
381.20609	8.8
382.20837	1.2
416.24875	2.5
417.25986	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	416.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.01873	3.3
55.05507	2.4
57.03425	2.8
62.21204	1.2
63.00069	1.3
67.05508	4.8
69.07076	9.1
69.99132	4.2
71.05008	1.8
79.05502	11.9
81.03417	2.0
81.07086	2.9
82.94660	1.2
83.04980	2.2
85.06548	1.8
89.47233	1.2
95.04990	1.9
95.08614	3.0
97.06535	100.0
98.06880	3.1
98.23302	1.7
105.07037	2.7
109.06525	3.1
109.10143	1.6
119.08597	3.9
123.04413	5.1
128.94550	1.3
129.06979	2.2
131.08575	2.7
143.08592	2.1
145.06508	1.8
151.07588	2.4
159.08076	3.4
160.10011	1.3
161.05983	4.5
161.09657	1.9
163.07584	1.4
167.08482	1.6
171.08083	3.7
173.05914	2.8
173.09692	2.2
175.07533	2.5
181.10078	2.0
183.08043	1.5
187.07593	4.0
188.08221	2.3
189.09143	5.8
195.08109	3.4
197.05988	1.8
197.52342	1.5
199.07576	7.3
201.09097	4.9
213.09148	3.2
215.07072	3.7
215.10712	4.8
219.10246	3.2
223.11029	2.0
225.09100	3.6
227.10637	2.9
229.12140	1.7
237.12903	2.8
238.09943	1.5
239.10542	1.7
239.14134	1.5
241.12251	10.3
247.13329	2.6
249.12886	1.5
251.14273	1.9
253.15871	2.1
255.13831	3.0
257.11636	3.5
257.15390	4.9
259.13327	3.6
265.12323	1.6
267.13818	3.8
269.11737	2.6
271.13419	4.6
279.13580	1.7
283.13638	1.6
284.14197	3.1
285.14816	5.3
295.13318	1.7
297.14972	3.0
301.14346	2.6
302.14963	1.5
309.18594	1.9
311.16409	5.4
312.16876	1.5
313.18039	1.4
315.15826	7.2
322.80472	1.6
337.17953	6.4
353.21158	13.2
354.21619	1.9
355.19055	8.0
363.19623	3.9
381.20740	10.6
382.21027	1.7
417.25925	2.3
420.96603	1.5
421.39203	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28145	0.7
51.95642	0.9
55.01881	1.7
55.05514	0.8
57.03437	1.8
63.74228	0.7
64.79765	0.8
67.05498	4.1
69.03445	1.7
69.07069	9.4
69.68195	2.7
70.17996	0.7
72.88438	0.8
79.05490	12.0
81.03474	1.1
81.07050	2.5
83.05004	1.0
91.05503	1.0
95.05011	0.9
97.06529	100.0
98.06866	2.3
107.51675	0.8
109.06509	2.0
119.08573	3.1
121.10173	0.8
123.04458	1.8
129.07004	1.6
131.08571	1.2
143.08470	0.9
150.86456	0.8
151.07582	1.7
151.11171	1.0
157.06421	0.9
159.08064	1.4
161.06010	2.3
171.08096	1.4
171.20993	0.8
173.06015	2.3
175.07625	1.5
179.08507	1.2
183.08064	1.1
187.07628	2.7
188.08369	1.8
189.09128	3.5
195.08087	1.3
196.08810	1.0
197.05862	0.9
197.09567	1.0
199.07526	4.4
199.11028	1.0
201.09169	3.9
203.10629	1.2
209.09579	1.4
211.11235	1.8
212.08168	1.2
213.09166	2.1
215.07089	2.6
215.10645	4.5
216.11703	0.9
219.10118	1.7
223.07587	1.0
223.10999	0.9
225.09137	1.1
225.12711	1.1
227.10670	2.3
229.08464	1.0
229.12270	1.4
232.93369	0.9
238.09944	1.7
239.10796	1.0
239.14328	1.3
241.12233	7.4
243.13850	1.6
247.13303	1.7
251.14229	1.3
253.12163	1.3
253.15912	2.7
255.13747	2.2
257.15421	4.2
259.13290	1.5
265.12469	1.2
267.13882	3.7
269.11829	1.1
271.13290	4.3
281.15344	1.3
283.13202	1.6
285.14835	3.3
293.15399	1.2
295.13434	2.0
297.14972	1.0
301.14236	2.2
307.17038	2.0
309.18436	2.1
311.12930	1.7
311.16486	3.8
312.16840	0.9
315.15924	5.6
319.16907	1.0
324.17267	0.9
325.17984	1.4
327.51456	0.9
337.17917	6.8
353.21103	11.8
355.19061	3.6
363.19577	2.7
381.20633	8.6
399.21579	1.5
417.26495	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69481	1.5
51.24685	1.5
55.01880	4.3
55.05500	3.1
57.03437	3.0
57.07072	7.7
62.75961	1.5
67.05506	4.3
69.07071	14.6
70.06593	19.8
71.08623	4.2
71.28553	1.8
78.75140	1.8
79.05490	12.1
81.07052	9.5
83.04978	3.8
85.06535	2.0
85.10180	2.0
88.07632	29.1
91.05476	3.6
93.07040	4.9
95.01648	4.3
95.04955	2.2
95.08631	3.5
96.31267	1.7
97.06526	39.4
102.09174	19.6
105.07002	3.9
107.08594	4.1
109.06486	2.0
115.05441	2.2
117.07002	3.4
119.08578	2.9
123.04434	4.2
129.07034	2.7
131.04948	2.6
131.08600	2.0
133.10088	2.5
143.08575	5.7
145.06442	3.9
151.07532	2.5
155.08588	3.9
157.06593	2.4
157.10193	2.5
159.08057	4.9
160.05228	3.2
161.06001	9.0
161.09698	3.9
165.07030	2.5
166.07664	1.7
167.08658	2.4
169.10170	2.5
171.07953	3.1
173.05952	3.3
173.09662	2.5
175.07541	5.8
183.08063	2.9
185.09631	3.5
185.13176	1.8
187.07553	5.4
189.09122	12.8
193.10030	2.0
195.08177	1.9
195.11676	2.0
197.05977	2.9
197.09579	3.0
199.07608	2.8
199.11130	2.3
201.09045	8.1
203.10617	2.2
205.08556	2.9
207.11711	2.1
209.09645	5.0
209.13309	2.5
211.07562	3.1
211.11073	2.5
212.08382	1.9
212.23703	2.1
213.09106	4.9
213.12848	2.9
215.07091	2.5
215.10744	5.9
217.08681	7.3
218.09355	3.4
219.07854	1.7
219.10124	1.7
221.09605	2.2
222.10323	1.9
223.11203	2.8
225.09087	4.5
225.12813	2.7
226.09868	3.3
227.10733	7.7
229.12204	5.9
237.09145	2.5
237.12717	2.6
238.09975	2.8
238.13661	2.9
239.10693	3.3
240.11368	3.3
241.12193	6.8
255.10225	3.1
255.13705	8.3
256.14609	3.1
256.26358	63.8
257.11969	2.8
257.15390	11.2
257.26736	2.3
258.12534	5.4
259.13354	4.7
266.13074	3.3
267.13864	7.3
284.14120	6.4
285.14801	4.5
297.14899	11.5
301.14297	2.5
315.15765	4.1
325.17960	2.3
335.19714	2.2
337.18295	2.6
353.21152	7.9
355.18994	5.2
363.19650	7.5
381.20453	14.9
416.35553	100.0
417.26859	2.4
417.35483	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	416.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67525	1.6
57.03440	3.2
67.05510	2.8
69.07073	9.5
70.55566	3.8
79.05497	8.3
81.07041	2.6
83.04989	2.4
95.04980	1.6
97.06537	100.0
98.06860	2.0
105.07037	2.5
109.06514	2.4
110.97611	1.8
123.04462	4.5
147.07922	1.9
151.07516	2.5
154.07690	1.7
157.10228	2.6
159.08061	3.1
161.06000	4.6
163.07590	1.8
165.06950	2.7
167.08488	2.4
169.10211	2.9
171.04402	1.7
171.08159	2.0
173.05937	2.2
175.07529	2.5
179.08546	3.1
181.06473	1.7
182.10802	1.8
183.08032	3.3
187.07527	4.7
188.08348	2.5
189.09181	5.8
197.06013	2.1
197.09587	3.0
199.07607	6.3
199.11148	2.0
201.09117	6.7
205.08641	1.8
209.09718	3.3
211.11258	1.8
213.09143	3.3
215.07124	2.3
215.10677	7.7
217.08794	2.1
219.10291	2.1
223.11313	2.0
225.09184	2.1
225.12708	1.6
227.10675	4.2
229.12254	2.6
238.09914	3.6
238.13411	1.8
239.14380	2.0
241.12115	8.8
243.13707	2.5
247.13333	4.6
251.10701	2.0
251.14276	2.4
253.12184	2.0
255.13835	4.1
256.14197	1.9
257.11722	2.4
257.15396	5.2
259.13403	4.0
263.14487	1.9
267.13843	4.1
271.13245	8.4
271.68417	1.7
285.14865	4.6
293.15326	2.4
295.13428	2.9
297.14874	2.4
307.16946	3.0
309.18451	3.4
311.16519	6.1
315.16000	8.9
319.16791	2.0
325.18069	2.2
337.17944	7.4
353.21143	11.7
355.19077	7.4
363.19647	5.0
381.20654	12.9
416.24908	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11011	4.5
55.05521	11.8
57.07080	5.0
64.71362	4.7
65.51926	4.8
67.05513	14.9
69.03436	8.3
69.07076	13.5
79.05511	16.9
81.03460	5.5
81.07050	25.5
83.04998	13.5
85.02921	14.6
91.05494	17.9
93.07063	30.1
95.08595	34.5
97.02869	6.5
97.06535	6.9
98.23411	8.1
98.97583	56.0
105.07053	29.5
107.08593	25.5
109.10192	17.6
113.13434	5.6
116.98640	27.6
117.07034	11.0
119.08553	26.0
121.01822	4.9
121.10178	22.6
123.08022	5.3
123.11662	8.2
125.09614	13.8
130.05083	5.1
131.08588	14.2
133.10149	15.6
135.11703	16.2
137.09552	5.3
141.72050	4.9
145.10141	37.0
147.11708	10.5
149.09662	15.7
158.99670	13.7
159.11635	30.6
161.13312	17.1
163.11253	14.0
173.13292	6.0
175.14845	7.6
177.00760	27.1
177.16396	19.1
178.01012	5.9
191.17868	6.3
201.16402	55.4
202.16856	5.2
205.68880	5.2
219.01776	8.0
219.17426	100.0
220.17885	6.1
271.10648	6.2
289.45871	4.8
303.28723	4.9
313.03494	10.6
399.10886	11.9
400.14890	4.7
409.85632	5.2
417.11987	12.0
417.17355	11.8
417.22687	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	416.9865
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	10.0
58.96192	1.9
60.60227	2.2
65.61994	2.3
69.00222	8.9
69.00645	14.0
71.95278	4.3
98.97585	100.0
102.96912	2.2
112.36055	2.4
116.98623	59.2
116.99441	4.1
118.98223	3.1
126.77955	2.2
134.99675	24.8
150.00514	2.6
173.99391	2.7
177.00940	4.3
184.37747	2.3
190.95427	2.6
214.95461	4.5
216.98936	4.2
218.98924	2.8
219.01720	2.4
232.96518	6.4
234.99939	6.5
236.00177	3.5
236.99910	4.6
240.98888	2.7
250.97684	4.9
256.96460	18.3
258.96579	4.5
258.99927	33.6
260.00092	10.3
260.99734	9.7
261.02856	10.2
262.00113	2.7
262.03104	2.8
274.97543	71.9
275.97900	9.2
276.97595	18.9
277.00931	27.5
278.01065	8.1
278.97641	2.3
279.00772	12.3
283.00018	32.6
284.00040	14.3
284.99841	14.5
292.98575	42.6
293.99155	3.8
294.98596	8.4
298.97748	5.7
299.97580	2.9
300.97723	6.7
301.01028	38.4
302.01105	20.2
303.00861	25.3
304.00980	5.4
316.98837	11.6
317.98999	3.1
318.98526	9.2
319.01974	4.1
333.74832	2.3
367.13934	2.6
403.01212	3.1
416.98801	8.9
425.01126	8.7
426.01135	8.2
427.00946	9.8
428.01160	3.6
429.01050	2.8
434.95529	4.5
443.02463	28.7
444.02539	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	417.1757
Annotation	2-Phenylethyl O-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03945	5.9
55.01875	21.9
55.05503	7.8
57.03439	24.0
61.02932	55.2
67.05507	15.9
69.03429	35.2
69.07082	4.2
70.06591	3.9
70.55398	5.3
71.01352	6.1
71.04992	5.7
73.02924	24.7
78.25874	2.4
79.05498	51.6
80.05016	3.5
81.03419	34.7
81.07053	9.7
82.04996	2.5
83.01342	9.4
83.04990	10.1
84.04514	6.9
85.02909	73.7
86.06072	11.1
86.09709	4.7
87.04464	6.2
91.03957	30.7
91.05489	80.5
92.05841	3.4
93.07052	32.0
94.06552	4.2
95.04973	4.6
95.08634	2.5
97.02901	51.9
97.06493	5.1
98.92248	2.6
98.97588	3.5
99.04467	8.4
101.02382	12.1
102.05511	3.3
102.45123	2.9
103.03960	5.8
105.07053	4.2
107.04955	10.1
107.08603	35.5
109.02878	11.9
109.06520	5.0
109.10139	4.3
110.53378	2.5
111.04447	7.6
111.08105	2.9
115.05459	9.9
117.07027	68.4
118.06626	2.6
118.07396	2.9
119.05011	3.7
119.08579	11.9
121.02865	3.3
123.08041	2.7
125.09630	8.3
127.03923	28.2
129.05466	2.8
130.04993	20.2
130.06506	3.5
135.08060	100.0
136.08438	3.2
137.09590	3.7
144.08141	5.0
144.09274	2.6
145.04980	8.4
145.10146	3.1
151.11168	11.0
153.09105	16.1
155.78242	2.6
156.06689	2.5
157.07608	12.8
158.08347	3.9
163.07555	22.0
177.12700	3.0
181.08562	16.6
183.06577	4.1
192.06621	3.8
199.07674	2.8
199.09656	12.9
201.07573	3.1
207.09134	2.8
209.10844	3.9
212.04723	3.4
213.05420	3.3
221.08180	2.7
225.10330	5.9
255.12300	63.4
256.12363	2.9
269.09277	5.8
271.10779	11.5
273.07639	7.3
285.11298	6.1
287.12668	7.5
288.13440	9.4
289.11752	3.2
309.12549	4.0
319.05731	2.9
323.62799	2.9
337.11594	3.5
383.12393	7.1
399.16415	5.1
400.15118	5.3
401.13580	4.1
417.11899	12.4
417.17050	66.5
418.15979	12.7
444.58588	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	417.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02996	0.3
56.96568	1.0
60.05644	1.0
63.40390	0.3
67.13718	0.3
68.05026	0.7
68.79041	0.2
69.03446	0.9
69.97264	0.9
70.06596	100.0
71.06913	1.5
72.08160	2.8
74.94164	0.2
80.05027	1.5
81.03436	0.7
82.06592	0.9
84.04510	0.4
84.96023	0.3
85.02919	1.4
94.06557	0.4
95.06089	0.3
97.02866	1.4
97.07659	3.1
98.23285	0.3
98.97588	3.7
101.00906	1.3
105.04509	0.6
106.06525	0.4
110.97575	1.1
112.03998	0.6
112.08733	28.2
113.00891	1.1
113.09084	0.5
114.10291	6.7
115.02439	0.6
116.98637	1.1
117.06985	0.6
119.01923	1.4
128.98618	0.6
131.01933	2.3
132.08150	0.3
133.03479	1.0
134.09663	7.3
134.10652	0.6
136.09959	1.2
141.02242	0.3
143.01941	1.1
144.06543	0.7
145.03485	1.1
147.09146	2.0
149.10753	0.9
151.12292	2.1
155.01910	1.5
157.03473	1.5
158.99715	0.8
159.01477	0.7
159.05067	0.5
161.02975	1.5
162.12817	0.3
169.03484	1.2
171.05025	0.7
173.01488	0.4
173.02988	1.7
173.04649	0.4
175.04526	0.8
176.11855	4.2
177.00764	0.8
177.02371	0.3
181.03523	0.5
183.05046	0.5
185.02953	0.9
187.04500	0.8
191.01891	0.3
193.14491	20.8
194.14839	0.7
197.03001	0.9
198.97627	0.4
199.04520	0.7
201.00749	1.0
201.02501	1.5
201.04243	0.4
201.06186	0.4
203.04079	1.2
209.02994	0.6
210.97716	0.3
211.04596	0.6
212.05064	0.3
212.99263	0.3
213.02597	0.3
215.04071	0.5
216.98778	0.9
217.03790	0.7
219.01819	1.3
219.03664	1.9
221.05164	2.1
223.04880	0.5
227.04243	0.3
228.98669	0.5
231.00258	0.8
234.99785	0.5
237.02701	1.0
237.13516	2.9
240.05806	0.3
245.05266	0.3
257.05206	0.5
259.06741	3.8
270.99661	0.4
277.07733	1.4
285.01538	0.5
285.04514	0.6
293.05438	0.4
299.06189	0.7
303.08813	0.5
317.07529	0.3
319.02115	0.4
325.61853	0.4
333.06763	0.5
373.01981	1.0
373.09793	3.8
374.10281	0.4
375.04422	0.4
417.19809	14.5
418.19800	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2095
Annotation	Spironolactone
Peak:m/z	Relative Intensity
50.48566	0.3
53.03957	0.4
53.60112	0.4
55.05495	0.6
67.05504	0.9
67.42390	0.4
67.57213	0.4
69.03421	0.5
70.46189	0.9
78.52348	0.4
79.05515	0.5
81.07079	0.8
85.02913	1.3
93.07025	0.7
97.02890	0.5
97.06546	1.2
97.88659	0.4
97.89336	0.4
109.02898	0.5
109.10190	0.5
127.03687	2.6
139.28273	0.4
147.35529	0.4
217.04927	0.5
234.40509	0.4
273.04129	0.5
301.03354	0.5
305.70609	0.5
313.03540	1.0
313.16205	17.1
314.16675	1.1
355.08185	1.0
356.16309	0.5
399.10547	2.0
400.10968	0.8
417.11768	3.0
417.20972	100.0
418.12207	0.7
418.16495	0.6
418.21320	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	417.2097
Annotation	Spironolactone
Peak:m/z	Relative Intensity
67.05502	0.9
68.92153	0.4
69.03431	0.8
69.07076	0.8
69.22104	0.7
69.22499	3.1
70.26186	0.4
72.69469	0.4
79.05496	0.5
79.74757	0.3
81.03204	1.3
81.07053	0.5
83.05000	0.4
84.08128	0.9
85.02903	1.7
86.06042	0.5
86.09712	0.4
91.05500	0.7
93.07016	0.6
95.08647	0.6
97.02918	0.5
97.06537	0.9
107.56734	0.5
109.02762	0.4
127.03677	4.3
130.04985	0.9
133.10167	0.5
135.11714	0.5
144.08139	0.4
157.07677	0.5
173.05974	0.5
176.00975	0.3
179.34837	0.5
185.04202	1.1
188.07050	0.5
211.22009	0.4
216.12236	0.5
217.05103	0.5
223.08797	0.4
255.06552	0.4
271.10776	0.8
288.13428	0.5
299.05484	0.9
301.03311	1.4
303.04980	0.7
313.03668	2.1
313.16205	24.9
314.16516	1.3
355.07941	1.9
399.10712	4.0
417.11774	3.9
417.20975	100.0
418.21381	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	417.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01579	0.4
53.03952	0.4
53.30574	0.4
55.05517	1.0
55.75222	0.4
57.03443	0.7
58.06596	0.7
67.05503	0.8
69.03436	2.0
69.07066	1.8
70.23526	0.4
74.23579	0.4
79.05473	0.8
81.03419	0.5
81.07053	1.5
84.04502	0.6
85.02917	1.9
86.06036	0.6
88.87489	0.4
91.05473	0.9
93.07018	0.6
95.04979	0.8
95.08611	0.8
95.81243	0.4
97.02908	0.5
97.06535	3.5
98.22601	0.7
105.07061	1.3
107.08600	1.1
109.10146	0.5
117.07001	0.5
119.08545	0.8
121.10114	0.7
127.03725	2.0
128.06155	0.5
130.05045	0.8
131.08572	0.5
133.10158	0.8
136.97502	0.4
145.10109	0.7
147.04356	0.4
153.01839	1.2
185.04266	1.0
185.98050	0.4
194.38158	0.5
201.05502	0.4
217.04997	1.8
229.05022	0.9
236.14955	0.8
237.10199	0.5
237.15288	0.7
241.10786	0.9
243.06404	0.6
245.04497	1.9
255.06471	0.7
257.04422	0.5
267.06641	0.5
269.04404	0.7
271.10739	0.9
273.03967	2.1
277.93500	0.4
285.03961	1.0
287.12817	0.6
288.13364	0.8
299.05603	2.8
301.03433	4.1
302.04031	0.5
303.05072	2.5
313.03406	8.3
313.16205	16.7
314.03885	0.9
314.16705	1.3
355.08136	7.1
356.08521	1.0
383.12299	0.6
386.67172	0.4
399.10760	15.5
400.10788	2.1
417.12619	13.7
417.20966	100.0
418.12360	1.1
418.21353	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	417.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.1
65.92999	0.4
67.05498	1.3
68.42447	0.4
69.07053	0.8
71.06001	0.9
79.05497	1.5
79.48761	0.4
81.07040	1.3
82.40818	0.5
91.05491	1.2
93.07063	0.6
93.53349	0.5
95.08614	1.1
95.53660	0.5
97.06534	4.4
98.06873	1.1
105.07040	1.5
107.08581	0.7
109.06503	0.5
109.10178	0.6
114.48164	0.5
117.06939	0.6
119.08567	1.2
121.10110	0.8
124.02650	0.5
125.09621	0.6
133.10172	0.7
135.08054	0.7
143.08589	0.5
145.10123	0.7
157.10068	0.9
159.08055	0.5
168.01585	0.4
169.10245	0.8
176.89946	0.6
231.46860	0.5
251.61249	0.5
291.64438	0.5
338.18195	0.8
352.70242	0.5
399.25049	0.5
417.26096	100.0
418.26407	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	417.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	17.9
57.07059	9.2
62.48651	4.6
67.05507	25.7
69.07063	17.1
70.44582	7.9
71.04980	8.3
72.56861	4.5
72.59556	4.4
79.05496	30.8
79.71996	4.7
81.07058	43.8
83.08621	13.9
84.00087	4.4
91.05489	44.6
93.07037	59.9
95.04969	12.1
95.08614	37.4
97.06525	5.7
105.07034	71.3
107.04893	5.3
107.08586	60.2
109.06522	68.0
109.10173	25.7
111.08088	11.3
117.07015	17.6
119.04917	6.1
119.08571	98.0
121.06478	9.7
121.10143	68.9
122.10554	5.9
123.08038	10.1
123.11729	24.9
128.06216	10.5
129.07019	15.0
131.08566	43.4
133.10124	58.5
135.08041	13.2
135.11653	51.5
137.09605	6.9
141.06963	7.3
142.07791	18.0
143.08556	31.6
145.10126	52.2
147.08101	23.3
147.11697	17.5
149.09599	8.8
155.08566	18.5
156.09366	8.8
157.10135	50.8
159.08031	11.4
159.11694	22.0
161.09651	12.1
161.13231	6.7
165.07021	11.8
167.08571	8.6
168.09338	8.7
169.10197	33.7
170.10864	8.8
171.11696	30.7
173.09586	13.2
173.13322	18.3
175.11211	11.5
175.14819	15.7
179.08504	12.7
180.09233	8.1
181.10101	20.6
182.10922	10.6
183.11684	27.6
185.09579	11.3
185.13199	12.0
187.11182	8.7
187.14830	15.7
192.09312	8.0
193.10100	20.6
194.10847	11.1
194.38420	4.9
195.11650	35.2
196.12465	6.0
197.09680	10.7
197.13283	16.3
199.11157	16.9
199.14825	13.6
201.12796	7.9
205.10257	11.6
206.10898	12.9
207.11702	22.1
209.13353	22.7
211.14812	18.7
213.12698	12.8
213.16281	11.5
217.10156	7.2
218.10793	7.3
219.11642	16.2
220.12456	7.9
221.13274	16.0
223.11177	8.2
223.14833	10.4
225.12660	13.5
225.16382	6.7
227.14212	6.9
231.11696	8.2
231.17548	5.2
233.13243	19.1
234.14136	6.8
235.14806	21.0
237.12697	10.7
237.16376	10.7
239.14305	10.6
239.17903	8.2
241.19426	6.2
244.12413	5.3
245.13309	7.8
246.13855	6.8
247.14868	10.7
249.12704	6.2
253.15671	9.8
257.13086	7.2
259.14786	9.4
261.16422	7.3
265.15842	7.3
273.16254	6.4
275.17932	7.3
277.16077	6.7
289.19449	6.8
295.16922	9.8
297.22122	11.8
301.19284	8.6
315.20959	5.9
341.22394	6.6
357.25909	12.9
359.23660	14.2
361.21548	5.2
375.26620	14.8
375.30966	5.9
389.28491	5.4
399.26764	33.6
417.17001	19.4
417.27780	100.0
418.28168	15.4
418.39050	20.0
427.46301	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	418.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
53.34969	0.3
55.01860	0.6
57.03419	0.5
61.02918	0.6
65.03933	0.3
65.54974	0.2
67.05495	0.6
67.93601	0.3
69.03423	0.8
69.27476	1.9
70.06582	0.3
72.15287	0.3
73.02899	0.4
79.05482	1.0
80.05016	0.4
81.03403	0.7
85.02910	1.6
87.04433	0.3
91.05497	1.4
92.04954	0.4
93.05784	0.4
93.07031	0.9
94.06550	1.1
96.08109	0.5
97.02895	1.0
98.03196	0.3
105.07026	0.6
106.06547	3.0
107.08575	0.6
108.08112	8.4
108.08852	0.5
117.07018	0.5
118.05231	0.5
119.06016	0.6
119.08575	0.5
120.06803	0.4
120.08083	1.7
121.06536	0.3
121.07594	0.4
122.06013	2.8
122.09573	0.5
123.09223	0.4
127.03905	0.4
130.06508	1.5
131.04945	0.3
131.05975	0.3
132.06859	1.5
132.08072	0.7
133.07607	39.2
134.06017	4.1
134.08340	0.9
135.08051	0.8
136.07561	4.3
136.08482	0.5
137.05981	0.4
145.07568	0.4
147.09166	7.9
147.11659	0.5
147.71996	0.3
148.07570	7.7
149.07063	4.7
149.10695	2.2
151.07642	0.4
151.08649	1.8
152.07008	0.4
154.08617	2.2
157.07700	1.5
158.05995	0.8
159.11671	0.6
160.06378	0.4
163.08694	0.8
164.06996	1.7
165.09120	0.3
166.08626	1.3
171.09882	1.0
175.08664	40.2
176.09081	1.5
177.06639	1.9
177.09079	0.4
178.07401	1.8
182.08113	4.8
191.08121	2.6
193.09712	31.8
194.10104	1.4
196.17902	0.3
199.09441	0.4
203.06978	0.3
209.09212	1.6
214.57933	0.3
217.09755	0.5
219.07634	25.1
220.07941	1.2
221.08038	0.4
221.11737	0.4
234.78252	0.3
235.10767	1.4
237.08682	100.0
238.09012	4.1
249.54703	0.3
255.09746	10.1
256.12390	0.4
256.15698	0.3
271.10684	0.3
312.16879	0.5
312.79700	0.3
315.14255	0.3
330.18152	1.7
333.15149	1.9
356.15967	2.3
358.95303	0.3
374.17050	5.7
375.16269	5.1
400.15250	1.6
418.16092	13.8
418.21072	0.7
419.15222	10.2
433.61850	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.3
55.01855	1.4
55.05505	0.7
56.05020	0.9
57.03440	4.1
59.04949	0.7
61.02930	6.4
61.85405	0.7
63.32109	0.6
67.05481	2.4
68.05011	1.9
69.03428	21.0
70.06577	1.6
71.05003	5.4
71.35630	1.0
73.02916	3.6
79.05477	4.2
80.04988	2.7
80.60665	1.1
81.02988	1.1
81.03420	15.2
81.07036	2.7
82.06550	1.3
83.01295	1.0
84.08124	1.1
85.02907	34.1
87.04487	5.1
91.03949	1.8
91.05474	1.1
93.07027	2.0
94.06548	2.3
95.04934	0.8
95.08606	4.7
96.04487	0.8
96.08114	1.2
97.02290	1.0
97.02889	15.6
97.06523	1.8
98.06060	5.1
99.04442	2.6
100.07598	0.9
105.07000	1.8
106.06577	1.0
108.08092	1.0
109.02881	5.7
110.06025	0.7
111.08036	2.2
115.03947	0.8
120.08110	2.0
122.06042	0.8
122.09617	0.8
123.08047	4.9
124.07610	0.9
126.09185	0.9
127.03909	7.6
132.08034	1.7
134.09636	1.8
138.09102	1.0
140.10677	1.2
141.09116	3.9
145.04962	3.4
146.94189	1.0
150.09180	0.9
158.11835	0.8
160.11177	1.2
164.10745	1.0
170.11745	1.1
172.11232	1.4
173.29811	0.8
178.12274	8.7
190.12288	4.1
192.13843	0.9
202.12306	0.9
208.13364	10.3
210.14885	0.8
220.13362	2.5
226.14334	5.8
238.14365	16.6
240.16008	2.1
256.15442	99.2
257.15735	4.7
267.94550	0.7
336.04456	0.8
356.78226	0.8
418.20734	100.0
419.21042	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	418.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70322	1.2
64.45262	1.2
69.03426	3.6
69.52782	7.1
72.08141	1.9
81.03440	3.2
85.02908	10.5
87.04461	1.7
88.83647	1.4
89.06035	75.7
91.05473	1.6
97.02898	4.0
107.07037	2.2
109.02865	2.4
127.03895	2.2
133.08609	43.9
134.08867	2.2
145.04938	1.8
151.09677	2.3
177.11263	8.0
195.12299	3.6
200.23662	1.4
203.07053	1.8
239.14903	100.0
240.15273	4.3
256.11624	2.2
256.15375	1.8
271.07385	2.4
418.16830	4.5
418.21573	2.4
419.14429	2.7
419.19278	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	418.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64209	6.1
55.05523	11.2
57.03436	7.5
67.05519	30.8
67.05841	5.9
69.03428	8.9
69.07066	9.6
70.02958	7.6
70.06590	6.7
74.10413	5.7
77.35093	6.2
79.05510	13.6
79.59333	5.9
81.03439	13.6
81.07059	50.8
85.02928	11.2
86.69267	6.0
91.05488	23.3
93.07042	27.7
95.04955	6.9
95.08616	49.0
97.06542	25.4
98.22602	11.7
105.07029	35.3
107.08630	26.8
109.06564	8.1
109.10162	37.2
119.06129	6.5
119.08613	30.0
120.08128	11.3
121.10153	14.1
122.10497	6.1
123.11671	9.5
131.08568	7.5
133.10155	24.6
147.11719	34.2
161.13347	12.1
172.07620	17.7
173.02388	8.0
174.71558	6.6
175.14906	8.8
203.17957	100.0
217.09592	8.5
265.55362	6.3
274.70459	6.6
372.19165	12.5
400.11035	14.5
418.16345	18.3
418.34030	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	419.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	1.3
56.96564	7.3
57.03428	1.2
68.71306	0.7
69.03432	5.7
70.06594	7.0
71.05003	1.0
71.06905	0.9
71.08640	1.0
71.27495	1.0
72.08146	1.8
79.51051	0.7
80.05056	1.1
81.03421	6.9
82.99850	2.0
83.04987	1.0
84.08135	3.3
84.96040	1.7
85.02895	3.4
86.06093	1.2
97.02886	4.8
98.06054	0.9
98.97583	28.4
101.00880	13.3
102.96903	1.5
108.04494	1.0
109.02857	1.3
110.97566	5.0
112.08731	2.2
112.99132	1.1
113.00887	3.5
113.06030	1.2
115.02415	1.6
115.40172	0.7
116.98629	11.5
119.01923	18.6
120.02050	1.4
120.28941	0.7
120.97910	1.2
121.01661	1.7
126.09131	1.0
127.02400	2.7
127.03901	1.8
128.98618	4.4
129.02211	1.0
129.04027	0.8
130.05020	1.0
131.00206	1.0
131.01904	7.6
132.01918	0.9
133.01608	1.0
133.03441	2.8
134.99666	3.3
136.07565	2.6
136.99100	2.1
137.02899	1.5
139.02457	1.4
140.98633	2.4
143.00194	1.8
143.01901	23.5
145.03481	6.1
146.99629	1.9
147.01335	0.9
148.07564	2.0
153.03992	2.4
155.00162	9.5
155.01894	12.2
156.02664	2.4
157.01767	1.5
157.03477	7.7
158.03558	1.0
158.99664	9.2
159.99940	0.9
161.02977	24.9
162.03294	1.3
163.04568	1.1
165.10272	0.9
166.08627	2.2
169.03412	1.3
170.99689	1.1
171.05032	15.5
173.01259	7.6
173.02969	23.7
175.02853	1.2
175.04520	3.0
177.00732	6.0
177.02460	2.8
181.03455	12.3
181.09679	0.9
182.03444	0.8
183.01410	2.3
183.05037	2.2
185.02985	2.7
187.04590	1.8
189.00658	0.9
189.04436	1.2
189.06113	1.9
191.02205	0.9
191.03998	0.8
193.03453	1.7
193.09703	2.4
197.01271	12.0
197.02945	1.4
199.02769	2.1
199.04507	20.4
201.00708	6.6
201.02432	48.6
201.04100	2.2
201.05867	1.6
202.02600	4.0
203.02313	1.3
203.04007	14.4
204.04202	1.4
209.03058	0.9
211.04546	3.5
211.10805	2.6
213.06105	1.1
215.02275	7.5
217.05623	1.0
219.01807	6.3
219.03516	100.0
220.03671	7.9
221.03325	1.6
221.05070	43.1
222.05087	4.2
223.04723	3.1
226.06091	1.0
232.05170	0.9
234.99490	0.9
235.06496	1.0
235.92325	0.8
237.02777	3.6
237.04964	3.9
241.05658	8.2
242.05336	2.1
244.06757	1.5
245.05156	2.5
252.05905	1.5
257.03372	3.1
257.05832	1.5
257.11328	7.8
257.14749	1.5
258.06848	1.2
259.06760	2.1
261.04791	18.2
262.04752	2.3
269.06131	4.3
270.06628	1.2
271.06534	8.9
272.06851	1.7
274.97308	1.7
275.06012	1.9
278.06693	2.9
278.56747	1.5
278.96768	2.2
279.05655	7.5
280.06998	3.5
280.57547	1.1
284.06616	1.5
288.06058	1.1
289.07693	1.8
292.98453	1.1
296.97876	1.4
299.06171	2.4
301.07700	23.4
302.07626	2.5
317.05554	3.6
319.08640	3.3
321.06894	6.5
335.06656	1.4
375.09799	1.0
419.10309	1.3
419.15909	2.5
419.20816	2.5
434.58044	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	0.4
56.96573	0.6
69.03431	0.7
70.06590	1.6
72.08150	0.7
78.08333	0.4
80.05040	0.4
84.04499	0.7
84.96040	0.4
85.02913	1.1
96.04514	0.4
97.02911	0.7
98.97610	1.8
113.02374	0.4
116.98631	0.7
124.07562	0.5
130.05029	0.6
130.06567	0.4
134.06091	0.4
149.02371	0.7
151.08673	0.4
219.01744	0.4
237.02806	0.6
237.50237	0.5
258.78998	0.4
287.10974	1.1
333.08157	1.7
343.10110	2.4
357.11545	0.8
375.12720	1.8
387.09018	11.1
387.13806	0.8
388.09451	0.5
401.09946	2.1
419.15338	100.0
420.16135	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	419.2792
Annotation	Juruenolide F
Peak:m/z	Relative Intensity
52.75591	0.6
55.05499	1.9
59.25670	0.6
65.03910	1.7
67.05497	2.2
69.07069	1.6
79.05501	1.4
81.07056	3.2
81.26337	0.7
83.08617	1.5
91.05476	14.0
93.07021	1.8
95.04947	1.1
95.08607	2.4
98.45564	0.9
98.98487	2.2
105.07040	1.5
107.08592	1.4
109.06458	0.8
109.10156	1.7
117.85238	0.7
119.04942	26.6
119.08565	1.8
120.05244	1.4
121.10094	1.6
123.11713	0.9
125.81147	0.9
127.03877	0.8
131.08566	1.2
134.59531	0.7
135.11635	0.9
142.07828	0.7
145.10141	0.8
147.04405	100.0
147.11716	1.0
148.04752	3.7
155.01045	3.1
159.11736	0.7
165.05443	1.3
169.10114	0.7
172.16611	0.8
175.14772	0.7
242.38513	0.8
286.74106	0.8
313.24844	0.7
321.58606	0.9
378.45337	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06612	0.7
69.03426	0.7
69.33727	1.9
69.34138	0.7
70.06625	0.6
72.50694	0.4
80.05019	1.1
81.03427	0.6
85.02919	0.8
93.21394	0.4
93.21970	0.4
94.93015	0.9
95.06083	1.8
96.92236	0.6
98.23327	0.8
98.97591	1.5
99.04448	0.5
105.15040	0.4
110.97594	0.5
112.89594	0.6
128.13779	0.5
131.01913	0.5
136.94031	5.6
137.94327	1.0
138.93860	3.9
148.94032	1.2
149.07066	0.9
150.93810	0.9
155.06702	0.5
158.99678	0.5
161.02936	0.7
166.01567	0.5
166.95096	3.1
168.03668	0.5
168.94928	2.1
171.04990	0.5
171.06320	1.9
173.01437	0.5
173.34019	0.5
174.10281	1.5
177.00708	1.0
196.08459	1.7
196.96051	0.6
198.96033	0.8
209.09290	1.2
214.09537	0.7
240.05772	1.1
249.06261	2.6
257.98605	0.6
258.11905	0.9
258.97940	0.5
285.28806	0.5
317.12112	17.3
318.12195	1.1
319.07361	0.5
333.11621	100.0
334.12088	4.9
361.09415	3.2
361.10815	3.5
420.18576	35.5
421.03226	0.5
421.18701	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41387	0.8
53.03952	1.6
55.01882	1.5
57.03439	22.2
58.59137	0.9
59.58784	0.8
61.02926	5.2
65.03934	1.2
69.03429	16.8
69.03781	1.5
70.42271	0.9
70.42598	1.6
71.01345	2.4
73.02924	42.0
79.05501	1.4
81.03419	2.1
85.02912	30.1
87.04465	1.8
91.05486	100.0
92.05820	2.8
97.02900	39.8
98.03239	1.1
99.04461	1.1
105.07042	1.5
109.02898	1.9
115.03941	24.4
117.07039	1.9
121.02885	1.3
127.03917	8.2
129.07014	1.5
131.08597	1.2
132.06606	1.8
133.04991	7.3
133.06502	2.1
134.56154	0.8
143.08568	0.9
145.02878	1.8
145.04990	10.5
145.06473	2.1
147.04387	1.0
150.07658	2.3
151.81615	0.8
153.07072	1.1
157.06517	1.1
161.04485	2.2
163.03952	5.0
163.06036	3.3
169.06529	1.2
175.07552	1.4
193.04959	0.9
203.92189	0.8
205.08730	1.3
211.05901	0.9
217.08611	2.2
223.06073	2.3
235.09621	1.8
241.07063	2.1
253.10696	2.5
259.08069	1.5
295.10184	1.2
296.70721	0.8
303.79819	0.8
307.05991	0.9
321.07782	0.7
325.07117	1.4
375.08719	1.5
403.08087	2.1
421.09250	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	420.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	14.0
57.03435	9.6
67.05476	7.7
69.03429	16.4
69.15374	22.7
69.15797	33.9
72.08162	9.5
77.19573	6.0
81.03409	15.5
83.04993	47.4
83.84314	8.8
84.04486	10.4
84.08121	7.6
85.02907	39.2
91.05474	7.9
97.02892	18.9
98.23387	12.6
98.97616	12.5
99.04464	7.9
105.01871	6.4
107.04947	14.0
109.02883	10.5
111.04465	7.7
119.04965	12.5
124.07558	10.5
127.03902	15.8
128.07082	11.5
130.05125	8.5
133.06514	13.3
134.05954	6.4
136.07565	12.8
147.04416	52.8
149.02354	8.6
156.25748	6.6
157.13568	6.4
159.04419	9.7
159.11612	7.8
161.05896	6.8
163.03897	18.3
165.07030	9.1
223.13368	11.8
224.09138	25.3
240.12184	9.1
258.13440	26.1
261.13205	7.0
297.39993	7.0
303.08670	9.7
315.09039	6.1
349.80209	7.7
361.05078	8.9
420.18048	9.0
421.12500	12.2
421.16998	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	420.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.6
53.60614	1.0
55.01866	2.7
57.03433	2.7
63.77924	1.1
67.05490	3.7
69.03436	12.6
69.07066	17.2
71.01365	1.5
71.04978	2.3
79.05491	14.6
81.03412	4.7
81.07056	63.4
85.02900	9.8
85.39047	1.1
87.00860	2.1
89.03909	6.6
95.04940	1.4
95.08614	10.6
97.02889	22.7
97.06525	43.2
97.54956	1.0
99.04449	2.4
101.02396	1.2
102.29686	0.9
105.01883	3.4
105.99007	1.0
107.04938	2.4
109.02880	2.9
113.05731	1.1
114.79429	1.0
117.03383	10.1
127.03901	8.2
133.02890	1.5
134.03648	3.9
135.04413	19.9
137.13245	11.6
144.31763	1.1
145.02840	17.8
145.04979	4.6
159.02881	1.9
161.02347	3.0
163.03900	99.4
164.01283	1.1
173.02374	5.4
173.03714	1.1
191.03445	3.4
215.07018	6.5
217.05016	5.2
231.05005	1.5
241.08641	12.8
259.09650	100.0
260.46121	1.2
361.12787	1.4
374.11667	1.3
377.78348	1.1
403.14047	5.5
421.14944	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	421.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.4
55.01867	3.5
55.05507	1.9
57.03440	9.4
57.07027	1.5
67.05503	1.7
69.03432	25.7
69.07063	6.2
71.01347	13.3
71.01617	1.2
71.04992	4.6
71.07014	2.0
74.01434	1.6
79.05502	7.8
81.03417	8.2
81.07088	1.9
83.05008	2.6
85.02901	9.4
85.62381	1.5
89.02386	6.5
91.05476	4.2
96.04526	1.5
97.02897	36.7
97.06527	59.6
99.04480	2.2
107.04974	2.2
109.02887	1.9
115.04041	1.9
115.05437	3.3
119.04960	3.0
121.02868	1.6
127.03897	6.8
128.06259	2.8
129.06970	2.5
135.04422	3.0
137.06056	1.8
139.03944	2.4
141.07031	3.8
144.08043	1.7
145.02881	2.7
145.06464	2.6
147.04411	11.4
149.02345	3.4
152.06226	3.4
153.06979	2.3
156.06914	2.0
156.08142	1.4
157.06491	3.2
157.10159	1.7
159.04427	5.6
159.08061	3.3
161.02373	6.2
161.05986	4.7
163.03902	28.6
163.07611	3.4
165.06920	1.4
167.08574	5.9
168.06757	1.9
169.06471	5.6
171.04378	3.9
171.09213	4.4
172.07597	5.0
173.02310	14.1
173.06001	3.2
175.03905	3.1
175.07538	2.2
180.08032	2.1
181.07678	2.0
182.05919	2.2
184.05078	3.5
185.05791	2.1
185.07204	2.1
185.09628	2.8
187.07533	3.8
189.05508	3.2
189.09128	5.9
191.07065	6.9
195.08003	9.5
196.07768	1.7
197.05983	6.2
199.03883	2.9
199.08772	22.5
200.04724	5.7
200.07086	4.0
201.05478	4.9
207.09148	2.5
209.07098	3.4
210.07799	2.9
211.08688	7.0
212.04431	2.0
213.06790	3.3
213.09131	9.0
215.06978	37.9
216.07401	2.4
217.04803	1.6
217.08601	9.4
223.08760	8.8
225.06563	3.9
225.10237	5.4
227.08141	100.0
228.06590	2.0
228.08577	5.0
229.09721	10.5
231.03992	2.0
231.10216	5.1
233.07906	2.3
235.09743	9.6
237.06615	6.6
238.07552	1.5
239.08221	5.0
241.06041	4.3
241.08598	12.4
243.11266	2.4
245.09193	22.9
247.03584	2.3
251.08131	15.6
252.05562	1.6
252.08801	2.5
253.06049	3.3
253.09773	10.2
255.07637	87.1
256.08099	4.7
257.09296	3.7
259.07199	4.1
259.09634	86.3
260.10001	4.1
265.05991	1.7
267.07663	3.1
269.05673	1.6
269.09149	9.1
271.10791	5.9
273.08688	72.7
274.09015	3.1
279.04489	2.5
279.07611	16.4
281.09229	9.1
283.06989	8.1
297.05389	1.7
297.08664	24.8
298.09167	2.1
299.07162	1.7
299.10104	7.6
301.08130	14.8
305.11084	2.2
307.07135	6.8
309.08652	7.2
311.06726	3.8
315.09677	18.3
317.11383	2.7
325.08206	23.8
326.08551	4.0
327.09738	21.2
329.07782	2.5
333.10751	9.8
335.06747	3.7
343.09177	32.3
344.09656	2.8
345.10901	6.3
353.07669	13.1
361.10257	69.9
362.10587	5.8
371.08759	29.6
372.09277	1.7
376.11819	1.8
379.13870	9.3
385.10318	2.5
389.09775	85.6
390.10214	6.6
403.14191	4.2
421.14487	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1493
Annotation	Gnetifolin E
Peak:m/z	Relative Intensity
50.19331	0.6
50.59469	0.6
50.69915	0.8
53.03934	1.0
55.01870	2.6
55.05515	0.7
57.03427	2.3
66.62832	0.6
67.05495	1.9
68.98086	0.6
68.99161	5.5
69.03430	10.3
69.07066	13.6
71.01350	1.5
71.04990	0.8
79.05490	5.9
81.03411	4.0
81.07055	0.9
83.04992	0.9
85.02911	4.5
89.03915	4.7
95.04979	1.1
97.02891	17.9
97.06531	30.5
99.04446	1.8
101.02408	0.9
107.04948	2.3
109.02876	0.7
117.03378	9.7
127.03902	1.6
133.02835	1.6
134.03656	3.6
135.04416	17.4
145.01724	1.0
145.02841	15.1
159.04333	0.8
161.02290	1.8
162.03171	1.2
163.03902	100.0
164.04228	4.6
167.08592	0.6
173.02339	2.6
175.03850	0.8
184.05136	0.7
191.03384	1.7
195.07961	0.8
215.07094	3.5
217.04947	6.4
241.08586	13.7
259.09656	91.1
260.09998	3.9
267.47513	0.6
277.10217	0.7
278.37308	0.7
361.12964	1.4
385.12769	1.0
403.13950	6.2
404.36670	0.7
421.14920	17.7
422.15198	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1492
Annotation	Gnetifolin E
Peak:m/z	Relative Intensity
50.65951	0.8
53.03943	2.0
55.01871	3.0
55.05545	0.8
57.03432	3.1
67.05499	3.3
69.03082	1.4
69.03432	16.7
69.03812	1.0
69.07067	14.1
69.20295	1.5
69.20703	4.1
71.01355	1.8
71.05005	1.0
72.70358	0.8
73.02908	0.9
79.05499	10.3
81.03419	6.2
85.02896	6.3
89.03920	6.4
89.87337	0.8
95.04952	0.8
97.02897	22.6
97.06534	73.3
98.06888	1.7
99.04459	2.5
101.02381	2.3
107.04966	2.4
109.02914	1.3
111.60899	0.8
117.03386	7.5
127.03909	2.8
127.67713	0.8
133.02840	2.4
134.03592	2.3
135.04413	14.1
145.02824	12.6
159.04417	4.0
161.02348	11.1
162.02969	0.9
163.03911	78.9
164.04282	1.7
165.47131	0.8
173.02344	24.9
185.06009	1.2
187.07494	0.9
191.03311	5.6
197.05971	1.0
199.03818	1.0
215.07045	28.7
215.09041	1.8
216.07401	2.1
217.04951	3.4
233.08073	2.2
241.08553	7.1
259.09659	100.0
260.10028	5.0
308.63083	0.8
361.12817	1.9
385.12537	1.0
403.13901	5.6
421.14920	21.7
422.15585	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30848	0.5
53.03936	3.0
55.01887	3.0
55.05504	2.8
57.03425	4.7
65.03936	0.8
67.05503	5.8
69.03086	1.1
69.03432	14.4
69.07063	8.0
69.13068	3.5
69.13474	1.8
71.01364	1.3
71.04978	2.6
79.05486	13.7
81.03420	6.2
81.07063	5.1
83.01324	0.6
83.04989	2.7
83.08574	0.6
85.02914	4.4
87.00827	2.7
89.03896	1.7
91.05473	8.1
93.07063	3.7
95.04948	2.5
95.08588	1.5
97.02895	14.2
97.06528	73.1
98.06853	2.1
99.04445	2.6
103.05442	0.8
105.07030	9.5
107.04950	4.9
107.08594	20.7
107.09291	1.4
108.08952	0.7
109.02873	5.4
109.06519	2.6
109.10153	8.0
111.04464	1.2
115.05460	2.7
117.03376	1.8
117.07018	2.6
119.04887	0.7
119.08609	4.1
121.06499	2.4
121.10137	10.4
122.07284	6.9
123.08061	1.0
127.03916	17.5
131.08556	2.8
133.10124	100.0
134.10451	4.8
135.04424	4.3
135.08043	8.2
135.11668	1.5
137.09607	57.0
138.09933	1.8
139.03900	2.6
141.07028	0.7
143.08568	1.7
145.02834	3.1
145.04892	0.9
145.06546	1.0
145.10121	1.8
147.04419	1.6
147.11691	2.9
149.02347	1.5
149.09590	2.6
149.13255	7.8
158.10881	1.7
159.04414	2.4
159.08011	0.9
161.02344	7.4
163.03897	25.9
163.07602	1.3
163.14812	1.9
164.04265	1.3
167.08565	1.4
173.02330	14.1
173.13284	6.3
175.03918	1.1
184.05135	1.0
185.06061	0.9
187.07506	1.6
189.05453	1.4
189.09091	1.5
191.03455	2.8
191.07016	1.9
191.14297	39.6
192.14682	2.9
195.08066	0.8
197.06102	0.8
213.03905	3.3
213.08983	1.0
215.07027	20.8
216.07423	1.0
217.08612	0.8
219.10246	0.8
231.04977	1.7
231.10196	1.0
233.08075	2.0
235.09685	5.0
241.08617	2.1
259.09656	48.8
260.09976	3.3
261.11203	1.0
283.08136	1.2
299.16208	1.0
317.17288	1.5
335.18600	0.9
379.14075	3.0
403.13663	2.3
421.14752	9.7
421.19223	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2583
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03941	7.7
55.01877	13.5
55.05515	36.6
55.83411	5.1
57.03440	17.5
57.07073	6.7
67.05180	8.1
67.05508	88.1
69.03439	33.8
69.07063	32.0
69.82910	11.8
69.83323	15.8
70.01408	5.1
71.05019	5.7
79.05494	100.0
79.05919	9.0
81.03418	31.8
81.07059	67.4
83.04986	18.6
83.08632	17.1
85.02918	18.1
85.06557	8.7
87.51314	5.1
91.05486	95.3
93.07043	80.9
95.04991	18.6
95.08606	57.4
97.02883	33.6
97.06532	73.7
97.10168	7.9
98.22530	5.1
99.04456	9.4
99.08099	10.1
103.05489	5.6
105.07032	86.1
107.04925	10.7
107.08588	37.8
109.06557	9.6
109.10207	25.1
111.08096	5.4
115.05494	7.4
117.07019	43.3
119.08580	75.9
121.06551	10.1
121.10145	36.1
123.08084	8.3
123.11693	4.5
127.03897	7.6
128.06241	9.0
129.06993	29.1
131.08585	54.1
133.10138	58.2
135.04456	15.7
135.08078	6.5
135.11726	29.0
141.06982	11.6
142.07809	5.1
143.08566	34.6
145.02896	9.9
145.10135	57.1
147.11693	49.0
148.11960	5.5
149.09618	9.7
149.13246	14.6
155.08560	17.3
157.10170	24.0
159.08049	9.8
159.11705	53.5
161.02364	11.5
161.13295	17.0
163.03918	52.6
163.11244	6.8
167.08603	7.8
169.10144	10.2
171.08075	8.6
171.11597	24.5
173.02356	16.1
173.13234	29.9
175.11232	9.4
175.14813	8.2
178.65218	5.3
183.11763	12.0
185.09700	6.9
185.13202	23.8
187.14876	8.5
189.12639	8.9
197.13335	6.2
199.11111	6.8
201.12727	6.4
211.11401	5.5
213.16432	6.4
215.07072	16.4
217.15858	5.4
239.18044	5.5
241.19551	12.2
257.19040	15.2
259.09683	83.8
259.20673	33.4
271.20538	11.6
275.20105	10.2
283.20468	9.3
289.21527	8.5
301.21600	32.0
311.20206	6.2
313.21899	7.8
319.22662	5.5
325.21713	7.3
329.20978	10.6
349.21713	7.4
367.22760	35.5
385.23694	41.7
403.13940	5.2
403.24844	52.3
404.25116	9.0
417.35968	6.5
421.14871	14.3
421.20593	12.3
421.25906	78.5
422.25671	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	421.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86762	2.1
55.01869	8.0
55.05518	14.9
57.03442	13.1
57.07075	38.3
59.84941	1.8
67.05505	26.7
69.07069	16.9
71.04996	3.3
79.05498	19.9
79.35439	2.2
81.03436	2.2
81.07059	36.1
83.04993	5.6
83.08615	8.3
85.06551	18.8
91.05476	18.2
92.52621	2.5
93.07038	26.1
95.04977	5.7
95.08595	20.8
97.02937	3.3
97.06547	13.5
102.09237	2.0
105.07008	13.9
106.16803	1.9
107.08597	17.3
109.06520	18.7
109.10170	13.5
111.08082	4.3
117.07043	4.4
119.08586	11.3
121.10126	10.5
123.08051	14.3
123.11697	3.5
125.06020	2.6
125.09665	2.5
126.97227	2.0
131.08577	7.4
133.10097	10.3
135.08047	25.6
135.11676	10.2
137.05980	23.5
137.09605	3.3
137.13261	2.5
139.07536	2.4
142.07796	2.3
145.10167	8.4
147.11755	5.8
149.02338	2.6
149.09645	6.3
149.13261	3.7
151.07584	8.2
151.11208	5.2
153.12708	3.7
157.10173	3.5
159.11679	5.0
161.13287	3.2
163.11284	3.6
165.09081	3.0
165.12785	8.9
167.65245	1.9
170.87523	1.9
171.11775	3.3
173.13214	2.7
175.11249	3.5
177.12819	8.3
179.14304	3.6
185.13390	3.1
191.14452	3.1
192.14684	2.0
193.12340	4.8
207.13890	8.9
233.19017	4.8
259.09714	6.5
263.20120	7.4
277.18021	2.9
291.19537	2.4
293.56650	2.1
319.26443	12.3
320.67816	3.4
329.24820	6.0
337.27429	5.1
347.25800	94.4
348.26196	9.4
365.26746	16.8
393.30133	12.9
421.19962	100.0
421.29388	64.7
422.20233	8.5
422.29526	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	421.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
55.01873	7.7
55.05513	18.0
57.03439	12.5
57.07075	11.4
67.05506	30.1
69.03432	2.9
69.07070	28.6
70.07428	1.2
71.04991	2.8
71.08639	3.7
71.30050	1.5
79.05489	22.8
81.03386	1.7
81.07057	41.4
83.04995	7.1
83.08614	7.5
85.06542	9.3
91.05482	16.3
93.07042	33.8
95.04951	3.1
95.08611	28.3
97.02863	1.8
97.06532	14.9
97.10168	2.9
99.88199	1.2
101.03547	1.4
105.07035	14.3
107.08594	28.5
109.06524	20.1
109.10159	11.4
111.04414	7.7
111.08064	8.0
111.11736	2.0
113.56775	1.2
117.07044	2.6
119.08573	12.0
121.06470	4.1
121.10146	12.1
123.08076	13.8
123.11702	3.1
125.05978	8.0
125.09657	1.6
129.07040	1.7
131.08563	2.9
133.10127	10.3
135.08057	25.5
135.11694	16.6
137.05975	19.2
137.09633	1.8
137.13240	3.3
139.07585	3.8
143.08539	3.1
145.10133	6.8
147.08075	2.5
147.11662	5.4
149.09615	4.8
149.13258	3.3
151.07529	9.7
151.11162	2.7
153.12730	5.9
157.10133	3.1
159.11688	2.9
161.09630	5.3
163.03934	1.7
163.11220	5.2
163.14780	2.0
165.09035	1.8
165.12787	6.2
167.14293	3.4
171.11710	2.2
175.11189	2.5
177.12726	7.9
179.14311	5.4
181.12219	9.3
185.13277	2.1
189.12651	1.6
193.12236	3.2
195.13881	1.5
203.14345	1.7
217.14229	2.6
218.15919	1.5
221.19029	4.5
235.20642	6.2
249.18472	1.8
259.09665	3.2
263.20111	4.8
287.23764	1.9
291.19363	2.4
301.25073	2.5
303.26825	2.0
305.21417	3.8
305.24728	81.7
306.25064	5.5
319.26373	28.8
320.26761	2.5
329.24689	6.5
338.27975	1.5
347.25790	100.0
348.26239	8.7
365.26871	13.1
393.29846	7.9
403.28265	3.9
421.19824	15.3
421.29425	34.2
422.20370	2.0
422.29593	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	422.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27641	1.7
55.01870	1.7
55.61788	1.7
57.03437	12.6
65.03940	13.0
67.04245	6.1
69.03426	7.8
69.54456	11.1
75.04481	7.9
81.03402	4.8
83.62335	1.7
85.02902	13.2
88.27923	1.8
91.05473	1.7
93.03420	22.1
95.04934	2.2
95.06110	1.8
97.02884	4.9
98.22567	2.7
101.69650	1.7
105.06973	1.9
107.04951	2.5
110.03654	4.1
111.04441	25.2
113.01713	3.0
118.55310	1.5
120.08087	11.4
125.01706	9.5
125.05992	32.0
127.03168	3.2
127.04008	2.9
135.86879	1.8
136.09792	2.3
142.01958	2.2
143.02736	4.6
147.04399	6.5
151.03905	21.4
151.07314	2.2
154.02606	10.6
163.03925	7.4
163.07547	3.1
169.04968	100.0
225.07564	7.2
243.08656	62.0
247.05389	2.4
259.05396	3.4
269.50305	1.9
275.04788	3.3
287.04999	8.2
303.04340	16.1
319.07550	2.8
335.06906	29.3
363.06418	29.1
422.14334	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	422.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77806	3.7
53.03938	4.0
55.01875	7.6
55.05512	5.4
57.03443	8.4
67.05515	19.6
69.03432	36.0
69.07063	13.3
70.55596	4.1
70.55930	6.8
71.01348	3.4
71.04980	6.5
79.05507	13.5
80.46069	3.8
81.03443	16.5
81.07048	23.2
83.04974	11.2
85.02925	28.2
85.06568	14.2
85.76430	3.7
91.05495	24.5
93.07057	15.1
95.04967	6.9
95.08607	30.4
96.04499	8.4
96.74170	4.0
97.02897	27.8
97.06531	37.0
98.03255	4.8
98.06882	11.6
99.04482	10.6
105.07022	22.3
107.08604	14.5
109.02888	6.1
109.10173	4.4
111.08099	4.8
113.09654	34.3
115.07599	5.4
117.07083	5.0
119.04942	25.4
119.08601	15.4
121.10154	13.1
123.08093	38.3
123.11739	7.8
127.03973	7.2
133.10178	9.7
135.04420	10.7
139.03967	3.7
139.11157	4.1
141.09111	8.6
145.02849	8.5
145.10109	5.6
147.04420	83.1
147.11691	30.9
148.04788	4.8
163.03897	51.5
164.04280	11.0
165.12758	98.7
166.13135	6.2
169.06506	7.9
170.06828	6.0
173.02338	7.4
179.10570	4.1
179.55423	4.1
183.13797	20.1
184.07370	4.1
189.09209	4.3
190.09546	4.8
191.07088	6.5
198.06416	4.3
201.05162	4.6
207.10155	5.6
207.13849	13.1
214.08633	4.1
215.07065	16.6
216.07274	21.6
221.79210	3.9
225.11385	4.8
225.14864	32.3
236.10030	6.8
243.15913	100.0
255.11288	6.6
257.12808	6.5
259.09769	17.0
260.06189	4.5
260.09998	40.7
376.16461	5.8
422.17026	57.1
423.12573	11.3
423.17334	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	422.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
53.38163	0.9
55.01877	2.3
55.05516	5.4
57.03433	4.2
67.05503	4.6
68.04993	1.1
69.03429	19.7
69.07069	12.2
70.60813	3.1
71.04996	1.6
73.06539	1.4
79.05502	5.9
80.05827	1.8
81.03411	5.6
81.07064	14.3
83.04981	5.8
83.08614	2.2
85.02898	22.5
89.03906	2.1
91.05494	5.8
93.07036	6.6
95.04975	2.8
95.08600	10.5
96.04484	5.2
97.02892	12.2
97.06529	17.3
98.06877	4.0
99.04448	8.0
105.07030	16.7
107.04972	2.3
107.08587	9.5
109.02877	1.6
109.06531	4.2
109.10185	1.2
111.08075	8.3
113.05888	0.9
113.09651	10.8
115.07590	6.4
117.03361	2.0
117.07000	1.9
119.04942	3.0
119.08589	9.1
121.10138	7.2
123.08093	3.8
123.11685	8.0
127.03883	2.4
133.10147	1.7
135.04425	4.3
135.08107	1.0
135.11726	1.3
137.09642	1.4
137.13263	1.9
139.07523	1.8
139.11098	1.9
141.12741	4.6
145.02859	3.0
145.04910	1.3
145.10080	1.3
147.04399	16.8
147.07939	1.2
147.11682	32.2
147.82106	1.1
148.04784	2.6
149.09637	2.7
161.13293	3.2
162.02808	2.4
163.03903	27.5
163.05200	2.1
163.11172	1.7
164.04266	1.8
165.12753	16.0
169.06413	2.0
173.02357	1.9
174.02692	1.7
177.05254	1.1
179.14369	1.8
181.12039	1.3
183.13826	4.3
185.16490	1.1
185.83842	1.1
189.09268	1.1
189.12759	2.7
191.07053	1.4
192.07474	1.4
199.13313	3.3
207.13773	12.5
215.07027	6.8
216.07402	7.7
225.14847	77.9
226.15210	3.4
236.09998	2.2
243.15970	10.6
259.09665	4.9
260.09976	12.1
261.07379	6.4
275.11005	53.0
380.14163	2.0
422.16501	4.1
423.12552	100.0
440.29736	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	23.3
67.29398	9.7
69.03439	58.5
70.43128	21.0
71.05006	13.1
77.15302	14.6
81.03394	17.5
81.07066	18.6
83.04985	24.0
85.02916	42.3
91.05515	14.7
95.04992	13.6
95.08618	12.7
97.02880	33.6
99.04435	21.3
107.04931	14.1
107.08603	18.0
109.06529	23.4
109.10151	14.6
111.27086	13.6
119.04971	27.7
121.10146	21.9
123.04441	11.6
123.08054	16.9
128.89584	13.6
135.04427	13.1
145.02875	12.3
145.10185	13.5
147.04413	100.0
147.11697	19.9
149.09698	24.5
155.10649	13.3
161.13304	13.9
163.03915	52.7
189.12804	15.1
207.13893	15.6
225.14934	64.6
243.15906	18.2
268.11069	12.3
302.63342	13.7
386.64859	13.8
404.22955	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88263	12.3
55.05518	24.9
55.16993	11.6
67.05503	13.5
69.03419	38.0
69.42241	25.9
69.42642	60.3
70.19170	12.3
71.04996	23.7
79.05480	17.2
81.03429	23.9
81.07052	38.0
83.04990	24.4
85.02916	49.8
91.05488	18.8
93.07029	24.9
95.04983	33.8
95.08624	29.3
97.02882	36.7
97.06557	12.2
99.04479	39.2
105.07011	25.3
107.04984	21.3
107.08612	20.3
109.06541	15.5
109.10166	46.7
119.04938	33.3
119.08619	34.9
121.10137	83.2
123.08089	44.4
123.11749	19.1
127.03915	20.3
133.10121	20.6
137.09618	23.5
147.04419	87.0
147.11703	38.0
149.09625	33.8
151.11235	30.4
151.12593	11.8
161.13254	33.8
163.03926	21.7
163.11237	19.5
165.12813	21.2
171.01541	13.5
179.14366	21.8
189.12811	31.6
207.13794	77.4
225.14850	100.0
243.15971	34.2
244.21054	11.6
297.78812	13.1
380.79022	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	423.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09089	1.1
56.96564	18.3
57.03444	1.4
69.03432	4.1
69.67915	6.9
81.03440	2.8
84.96027	11.6
86.09702	7.0
97.02888	2.8
98.97585	100.0
99.04444	2.1
102.34454	1.5
110.97581	29.3
112.99136	4.9
115.05949	1.2
116.98624	30.3
124.99067	2.8
126.97062	2.4
128.98605	21.1
131.00165	4.1
132.10210	4.9
134.99628	6.4
140.00206	1.6
140.98654	2.6
143.00195	6.3
143.01979	1.5
144.98119	4.6
146.99725	6.0
152.97525	1.9
152.98590	10.4
155.00211	1.7
156.98099	3.8
157.01756	2.0
158.99654	32.7
159.01648	1.8
161.01248	7.7
162.99121	2.9
168.98181	1.4
170.99655	30.4
174.99164	5.2
177.00700	21.4
185.01321	2.2
189.00723	14.8
195.01750	1.7
201.00734	5.8
205.03639	1.6
211.03006	1.4
213.00687	14.6
213.02388	1.4
217.00386	2.3
219.01779	21.6
229.00244	6.9
229.50685	1.4
231.01799	6.4
237.02795	23.6
242.47203	1.2
247.01085	1.6
253.00020	2.2
275.04520	1.9
279.03806	1.5
289.06070	1.5
293.05322	1.9
331.03326	9.2
337.08325	1.8
349.04401	36.1
367.05402	5.8
379.09042	3.4
381.10483	1.5
391.05469	64.5
392.05765	3.2
406.20517	1.3
409.06494	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.9
55.01867	1.3
55.05502	2.1
57.03419	1.0
67.05492	1.3
68.05025	1.9
69.03432	25.9
69.07063	1.0
70.06583	2.1
70.38905	1.6
71.01365	0.6
79.05499	1.4
80.05013	4.1
81.03419	4.2
81.07052	1.3
82.06614	0.7
82.07371	0.6
83.04984	5.2
85.02916	4.1
85.06509	0.7
86.03257	0.7
89.03909	2.6
91.05475	1.9
93.07038	0.8
95.04931	1.2
95.08612	2.2
97.02890	8.9
97.06528	2.4
98.06057	5.2
99.04450	6.5
101.06017	0.7
105.07024	1.6
107.04958	1.7
109.02897	1.0
113.05772	0.6
113.09634	1.3
115.03914	0.7
116.07105	4.1
117.03372	4.8
117.07007	0.6
119.04961	3.9
119.08581	1.1
121.10119	0.8
123.11691	1.1
127.03912	1.7
135.04431	6.9
145.02840	6.0
147.04410	18.9
147.11674	2.0
148.04761	0.7
148.12022	2.5
162.13669	0.6
163.03906	47.9
164.04265	1.9
166.13071	1.0
169.06470	1.1
177.09042	0.7
189.01534	0.8
197.06038	0.9
200.08261	0.7
205.08612	0.6
208.14149	0.8
225.05508	0.7
225.14861	4.7
226.15216	4.1
240.33412	0.6
243.06441	0.9
244.07372	0.6
261.07428	6.1
261.10083	1.1
275.11014	54.6
276.11343	2.0
292.31955	0.6
294.19733	0.6
307.08203	1.3
309.09607	1.1
323.04974	0.7
325.08914	0.8
326.09399	0.6
334.59973	0.6
392.77148	0.6
423.12558	100.0
424.12885	6.7
424.18671	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.1
55.01872	1.4
55.05525	2.4
57.03446	1.3
62.94958	0.8
67.05498	1.7
69.03427	56.3
70.03772	0.9
71.01367	1.8
71.05009	1.2
71.29549	1.1
79.05508	2.3
81.03404	8.2
81.07065	1.2
83.04977	12.9
85.02896	4.1
86.09738	0.9
89.03913	5.4
91.05474	3.5
93.07053	1.7
95.04979	2.5
95.08635	1.1
97.02887	40.4
97.06526	1.8
98.03215	1.1
99.04448	12.4
101.06017	1.8
105.06989	0.8
107.04964	2.8
107.08614	0.9
109.02886	2.9
111.04399	0.9
115.03935	0.7
117.03374	9.0
119.04921	3.5
121.02842	0.9
123.08113	0.9
127.03895	5.8
133.06529	0.8
135.04413	19.5
137.05948	0.8
137.66612	1.0
138.68555	0.8
145.02840	13.4
147.04408	12.4
149.09583	1.1
150.56230	0.8
153.01868	1.3
161.62755	0.8
163.03899	100.0
164.04243	3.7
174.10269	1.9
177.09042	1.4
181.04956	1.9
195.06563	1.2
200.08206	6.4
205.08618	2.0
217.10797	1.2
221.49020	0.9
261.07391	4.1
261.09891	1.2
262.10678	0.9
265.07022	1.1
269.26639	0.8
275.10986	11.1
307.08124	1.5
325.08963	1.3
333.01352	0.7
379.17249	1.0
423.07446	1.9
423.12405	37.9
424.12744	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57552	1.8
53.03936	7.9
55.01859	6.2
55.05514	30.0
57.03423	8.4
57.07076	3.8
60.53645	2.2
65.03943	5.4
65.84717	2.3
67.05506	100.0
67.08450	1.9
67.58382	2.1
69.03430	27.0
69.06737	2.6
69.07076	33.1
69.75542	8.9
71.01359	2.7
71.04983	9.5
75.68558	1.8
75.85194	2.0
79.05490	62.9
81.03425	29.3
81.06587	4.2
81.07059	80.8
83.04971	7.2
83.08628	12.6
85.02901	13.6
85.06544	6.2
87.04487	2.6
87.66851	2.0
91.05482	59.1
93.07043	71.7
95.04965	18.1
95.08613	57.5
97.02892	10.4
97.06539	12.3
97.10152	4.8
98.22655	2.8
99.04452	9.2
99.08099	4.0
103.03917	2.9
103.05456	3.4
105.07032	46.3
106.07383	2.2
107.04937	6.8
107.08595	41.4
109.02852	5.2
109.06518	7.8
109.10161	36.5
109.25362	2.4
111.04413	7.2
111.08077	6.2
113.06013	2.6
115.05457	4.2
117.07012	19.5
119.08591	43.2
121.06504	6.8
121.10144	36.2
122.10503	2.2
123.04438	3.3
123.08050	7.6
123.11688	10.5
123.68333	2.0
125.09649	4.3
127.03949	3.4
128.06255	2.7
129.05513	4.6
129.07007	14.2
130.07755	2.2
131.04904	2.5
131.08569	30.6
133.06482	7.2
133.10144	26.7
135.08060	7.7
135.11691	18.8
137.09607	4.7
137.13237	4.3
141.06973	6.0
142.07736	3.1
143.08540	14.4
145.06447	3.8
145.10133	27.0
147.08057	6.6
147.11682	21.5
149.02301	2.5
149.09621	6.3
149.13263	16.1
151.07570	2.1
155.08578	6.0
157.06461	2.7
157.10097	12.1
159.08075	3.8
159.11684	18.0
161.09657	4.3
161.13245	15.3
163.11139	4.7
163.14844	4.4
167.08524	4.2
167.10675	5.5
169.10126	6.2
171.08151	2.4
171.11690	9.9
173.11855	3.8
173.13274	15.8
175.11189	4.4
175.14850	7.3
177.12776	4.8
177.16426	2.2
181.10100	3.5
183.08044	2.2
183.11629	3.6
185.09532	2.9
185.13269	9.1
187.11142	3.1
187.14825	5.8
189.12694	2.4
192.05103	2.3
195.11691	4.7
197.13171	2.1
199.11211	2.6
199.14853	5.0
203.14212	2.3
209.13339	3.9
211.14803	3.5
241.12027	2.3
241.19705	4.4
243.21097	5.0
249.14919	3.5
259.20612	13.9
261.22141	16.6
273.22153	5.7
277.21631	4.6
285.22061	3.0
289.21600	6.1
291.23172	4.2
303.23227	12.5
304.23392	2.8
341.24631	6.5
345.24261	2.6
351.22867	2.9
369.24271	15.8
387.25500	12.4
387.29587	2.9
405.26266	16.9
423.27542	26.0
424.27478	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	423.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
54.47621	0.6
55.01855	1.3
55.05508	7.7
55.69392	0.5
57.03415	2.3
57.07067	5.4
65.03931	0.7
65.75703	0.9
66.25096	0.5
67.05502	13.6
69.03416	0.7
69.07062	7.7
70.56484	1.6
71.04982	1.4
71.08630	5.1
79.05486	8.5
80.72147	0.6
81.03391	0.5
81.07056	16.5
83.04961	1.4
83.08613	3.0
85.06546	3.7
86.06023	0.6
91.05473	5.1
93.07040	11.2
95.04932	1.5
95.08604	14.3
97.02870	1.3
97.06499	1.9
97.10143	1.6
99.04449	0.6
99.08109	2.7
105.07030	6.3
107.08595	7.9
109.05786	1.2
109.06512	23.5
109.10146	7.0
111.08051	1.6
112.82456	0.6
117.07014	1.0
119.08581	7.9
121.06487	1.2
121.10140	5.9
122.07269	2.1
123.08066	38.0
123.11691	2.5
124.08420	1.0
125.09629	0.6
127.03835	0.6
129.06987	0.7
131.08542	2.4
133.10129	6.1
135.08043	9.4
135.11682	3.1
135.17354	0.6
137.09625	2.1
137.13222	1.0
143.08521	1.2
145.10101	2.5
146.18495	0.5
147.11681	3.0
149.09621	2.9
149.13232	2.0
151.11217	0.7
151.14848	0.7
154.11584	0.6
157.10071	1.1
159.11703	3.0
161.09634	0.9
161.13261	1.5
163.11192	1.0
165.12747	2.4
167.14328	2.0
173.13239	0.9
175.14737	0.8
177.12747	2.2
179.14302	94.5
180.14642	4.6
181.85979	0.5
183.11765	0.6
191.14342	1.1
193.15964	3.0
205.15858	3.4
212.16541	1.1
215.17764	0.7
233.18982	2.1
238.18024	0.7
238.48033	0.6
247.20686	1.3
256.19135	1.1
263.20151	0.7
275.20056	1.8
281.59564	0.6
289.25302	0.9
293.21072	1.3
301.18948	0.5
303.26935	2.8
313.25266	1.3
331.26273	39.0
332.26727	3.5
349.27356	9.3
350.27805	0.9
405.30023	2.2
423.31049	100.0
424.31339	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	423.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01892	1.1
55.05516	9.7
57.03433	3.4
57.07085	4.7
61.23723	0.8
67.05509	12.8
69.07066	15.5
71.04977	2.4
71.08629	3.2
79.05489	7.8
81.07057	20.3
83.04965	1.5
83.08632	5.4
85.06548	2.0
89.06040	3.7
91.05486	5.7
93.07052	12.8
95.04985	1.5
95.08609	16.9
97.06538	3.2
97.10191	1.8
99.08080	2.0
105.07035	8.7
107.08601	10.0
109.06525	14.7
109.10152	7.5
110.06805	0.9
111.08084	3.6
117.07007	1.6
119.08594	10.3
121.06492	1.3
121.10142	8.7
123.08073	57.7
123.11706	3.2
124.08378	1.5
125.09586	1.0
131.08582	2.6
133.08629	2.6
133.10149	4.6
135.08049	9.4
135.11693	3.6
137.09613	3.9
138.50461	0.8
143.08517	1.1
145.10141	3.4
147.08029	0.9
147.11719	3.5
149.09625	3.5
149.13283	2.8
151.11150	0.9
157.10153	1.1
159.11707	3.1
161.09598	0.9
161.13266	2.1
163.14735	1.1
165.12762	2.2
173.13277	2.2
175.14847	1.7
177.11354	0.9
177.12749	3.2
179.14316	28.6
180.14679	1.6
192.19505	0.8
193.15932	0.9
205.15956	1.5
211.33615	1.0
214.51741	1.0
215.18082	0.8
221.15472	1.6
233.19003	1.9
235.17531	0.8
239.14917	1.7
247.20763	1.6
263.20013	1.8
275.20142	3.3
289.25186	1.3
293.21127	3.0
303.26874	5.7
331.26303	39.2
332.26505	4.1
340.18829	0.9
349.27383	10.9
350.27649	1.4
367.25015	2.5
405.30029	1.8
407.33295	0.9
423.31070	100.0
424.31396	10.4
444.39151	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.0254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29281	0.6
54.30471	0.8
56.96555	3.0
69.64043	1.1
69.64456	2.6
73.28783	0.7
85.49221	0.8
90.97034	0.7
98.97587	21.3
116.97913	1.2
116.98634	12.3
134.99658	5.1
164.33401	0.8
174.97704	1.7
184.09560	0.8
185.30298	0.7
189.22110	0.7
190.95497	0.8
192.98866	1.9
198.97946	1.6
214.95732	1.0
216.98921	7.3
222.97945	1.4
232.96651	3.0
233.96805	1.7
234.99998	13.0
236.00027	1.0
240.98917	11.8
250.97830	1.9
251.48962	0.9
251.97960	0.9
253.01176	2.0
256.96695	2.9
257.96738	1.6
258.99973	51.0
260.00015	2.6
261.00085	0.9
261.03146	1.8
262.03152	0.8
263.02780	3.0
264.99081	2.9
273.98691	2.4
274.97714	11.9
275.97940	3.7
276.97754	2.2
277.00955	41.3
278.01013	2.6
280.97446	0.8
282.99994	75.0
284.00128	2.0
284.99930	1.5
291.99741	2.3
292.98648	4.7
298.97821	4.8
299.97925	3.0
301.01041	100.0
302.01303	2.3
303.01086	1.7
316.98871	9.3
317.98929	4.7
318.98587	2.4
319.02136	5.5
324.02679	1.3
359.00116	1.4
364.98849	1.3
383.00156	1.7
401.01205	6.0
402.01028	1.2
407.00009	4.2
416.98730	1.2
417.98865	1.1
425.01175	38.3
440.98947	2.3
441.98911	2.8
442.13568	0.8
442.19559	1.5
443.02289	93.0
444.02420	1.6
445.02216	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44479	4.1
53.03946	5.5
53.76275	4.1
55.05512	9.6
67.59218	4.1
68.05030	14.9
69.03427	42.5
70.06600	16.3
71.29817	3.9
71.30156	5.8
79.05492	6.7
80.05019	27.2
81.03421	11.6
83.04948	10.2
85.02911	19.5
86.09676	5.3
91.05482	21.2
96.04493	7.1
97.02887	22.1
98.06049	36.9
99.04469	13.9
103.05469	12.9
104.10759	5.3
107.08614	6.0
116.07097	34.5
119.04935	19.9
120.08098	5.6
130.06531	8.3
147.04398	98.7
147.05467	6.3
147.11612	5.4
148.04736	13.1
163.03903	9.1
164.04285	12.4
165.12772	5.3
170.09677	18.6
190.08472	4.4
196.07655	13.5
198.09146	100.0
216.10184	84.6
217.10583	5.7
227.12842	13.8
248.86873	4.6
262.10703	90.4
277.03424	5.5
424.15399	4.8
425.17374	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	424.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	17.5
55.18932	6.6
57.03443	7.2
69.03436	18.9
69.07065	9.3
69.19159	5.8
69.19430	58.3
71.04985	11.8
76.63290	6.5
77.51126	7.1
79.57045	8.5
81.03448	9.9
81.07076	9.2
83.04974	21.5
83.08599	12.0
84.56427	6.9
84.65966	6.7
85.02913	20.1
88.09293	7.1
91.05490	12.2
93.07066	15.0
95.04980	49.9
97.02912	12.4
99.04462	13.9
105.07053	15.1
106.06554	10.8
107.08599	12.6
119.04916	9.4
121.10136	14.2
127.03873	7.3
131.04961	14.2
132.81458	7.4
133.10170	9.7
147.04410	22.8
148.04814	8.4
151.11220	19.7
153.09142	17.5
163.03908	22.8
167.14316	17.5
177.09259	7.4
209.15355	100.0
227.16551	8.1
259.07950	9.2
263.08990	12.6
263.12650	10.6
267.72748	7.8
282.22501	7.6
424.15564	28.0
424.27234	12.6
425.14130	91.8
425.18265	48.6
425.23712	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	424.254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05540	9.5
59.46353	9.7
65.98026	12.3
69.03430	25.4
71.09558	16.6
80.05030	11.2
81.03410	13.5
83.04993	10.9
83.68478	11.5
85.99069	9.5
89.18011	10.5
91.05495	19.3
95.05022	13.3
101.81205	9.1
102.92574	10.2
107.08576	22.8
109.02941	8.8
119.04926	21.4
121.10140	21.6
126.50700	10.8
147.04401	100.0
148.04820	14.8
155.22702	10.5
163.14891	10.4
167.14316	20.4
167.72887	10.8
182.33813	10.3
199.35214	10.1
209.15430	73.7
210.15775	12.6
260.22592	10.0
273.78824	11.1
285.76987	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	424.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	17.2
56.99479	5.3
67.05492	13.2
69.03425	13.4
69.07046	10.6
71.08617	20.3
73.93716	6.3
77.72142	6.3
78.71180	5.9
79.05495	9.8
81.07047	15.5
83.04987	10.3
83.08611	9.8
85.02888	14.4
85.06570	14.3
87.96662	5.5
91.05472	10.4
93.07052	8.5
95.08609	8.6
97.06536	20.0
98.06908	8.7
98.23373	14.4
99.08078	12.2
107.08552	7.0
109.06480	6.6
111.08079	98.7
123.11682	7.4
147.11707	13.4
155.14284	90.0
156.14644	6.2
163.03824	6.6
165.12718	8.7
183.13802	100.0
187.07918	6.5
201.14851	31.1
214.17986	16.0
227.16412	18.8
242.80843	6.0
274.49561	6.5
275.13861	8.7
287.10248	18.1
424.18872	41.3
424.30750	39.6
425.17401	8.9
425.26907	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	424.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.9
55.01865	4.2
55.05510	9.8
57.03427	3.4
67.05483	5.6
69.03410	6.9
69.07069	26.9
70.07401	4.8
71.04977	4.8
71.29274	3.1
73.02907	3.6
77.14623	2.3
79.05484	9.6
81.07055	29.4
83.04974	8.3
83.08610	5.0
83.10934	2.2
85.02901	28.6
85.06528	7.4
86.03252	2.9
91.05492	5.8
93.07023	5.7
95.08593	8.1
97.02896	8.2
97.06540	15.6
97.25488	2.5
98.06868	5.3
99.04478	6.9
99.08122	2.8
100.11254	6.1
101.11056	2.4
105.07014	9.8
107.08598	9.3
109.06529	5.7
119.08591	5.8
121.10152	11.0
123.08080	5.1
123.11724	23.6
127.03835	2.9
127.07542	10.7
141.06987	10.3
141.09187	3.7
147.04308	3.6
147.11684	36.7
153.07014	4.0
155.08542	10.4
155.14262	7.8
163.03905	7.1
164.04276	6.0
165.12772	24.2
168.09215	3.7
174.02666	2.7
183.13797	100.0
184.14136	3.4
185.05930	3.5
201.14853	67.5
216.07495	4.1
226.11159	3.2
227.10658	32.0
260.10019	6.9
261.10376	4.3
262.10498	3.6
285.12354	11.0
287.10251	8.0
355.51556	2.7
378.13889	2.8
424.18655	11.4
424.30524	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	424.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.6
55.05509	7.2
56.05043	2.0
57.03446	1.1
57.07079	2.6
58.06602	1.6
61.36503	0.8
66.72194	0.8
67.05500	8.9
68.17468	0.7
69.07067	13.4
69.07967	0.7
70.06599	1.4
71.04992	1.1
71.08656	1.3
72.08138	1.6
79.05505	7.2
81.07064	12.6
82.06572	1.8
82.07359	1.0
83.04996	1.6
83.08619	6.6
84.04505	1.4
84.08151	2.2
85.06567	1.7
86.06071	14.0
86.09725	1.7
91.05498	3.6
93.07045	9.6
94.07478	0.7
95.04948	0.9
95.08602	5.8
96.08128	12.6
97.06557	2.9
97.10185	1.4
98.06070	4.2
98.09737	3.6
99.04449	4.3
101.88034	0.7
105.07067	3.2
107.05035	0.9
107.08607	9.0
108.08128	2.7
109.06528	1.7
109.10181	3.3
110.09708	5.3
110.10429	1.1
111.08090	2.1
112.07606	0.9
113.09731	0.8
114.09187	1.7
116.07998	0.8
116.10735	6.4
119.08592	1.6
121.08865	0.9
121.10148	4.5
122.09682	1.9
123.08133	2.0
123.11740	1.4
124.07607	5.2
124.11237	3.4
126.09113	1.0
127.24143	0.7
133.10139	1.4
134.09656	1.4
135.08049	1.2
135.11713	1.4
136.11229	0.8
138.09244	1.2
140.10788	0.8
141.04166	0.7
142.08649	13.6
143.08656	1.1
145.10136	0.8
148.60321	0.8
149.13304	5.3
150.09111	1.3
151.11247	2.5
152.10701	1.2
152.14409	1.0
154.12292	2.4
159.11752	1.5
165.74078	0.7
166.08629	1.3
166.15919	21.6
169.12238	5.5
179.14381	2.4
179.23317	0.8
180.14760	1.5
194.15459	3.4
210.18587	2.2
212.16458	76.9
213.16801	4.9
238.18021	49.6
239.18367	2.1
256.19086	100.0
257.17429	2.3
257.19690	6.2
288.73294	0.8
310.23853	1.7
322.90109	1.0
328.24866	2.1
332.26614	2.2
363.25381	3.1
388.28592	1.1
406.29468	7.3
407.29834	1.9
423.62421	1.0
424.30627	68.2
425.30939	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	424.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	1.4
55.05511	7.2
56.05011	0.9
57.03422	0.7
57.07047	1.8
58.06568	1.0
62.06066	0.8
67.05503	5.4
68.05023	0.6
69.03445	0.5
69.07070	13.4
69.23514	2.4
70.06574	1.5
71.08617	1.0
72.08143	0.9
73.06540	0.7
76.31198	0.4
78.14407	0.4
79.05485	6.0
81.03384	0.5
81.05808	0.5
81.07061	9.8
82.06584	2.7
83.04947	1.2
83.08615	6.3
84.08143	2.6
85.06514	0.7
86.06066	15.6
86.09681	1.1
89.38874	0.4
91.05466	2.2
91.44865	0.4
93.07042	8.2
94.06496	0.7
95.08593	4.4
96.08129	12.5
97.06502	2.1
97.10142	1.9
98.06049	4.4
98.09686	3.2
99.04443	3.5
100.52385	0.6
105.07018	1.6
107.08587	6.7
108.08099	3.4
108.08827	0.8
109.06516	2.6
109.08905	0.7
109.10141	1.6
110.09671	5.7
111.08087	0.7
112.07594	1.6
114.09136	1.0
116.10732	7.0
117.06976	0.6
121.08872	0.9
121.10123	3.5
122.09637	1.5
123.08047	0.9
123.11698	1.1
124.07603	4.2
124.11234	3.7
126.09107	0.9
128.10674	0.7
129.06905	0.5
131.08565	0.7
133.10060	0.8
134.09627	1.0
136.11200	1.4
138.09132	1.4
140.10677	0.6
142.07549	0.9
142.08635	14.3
143.09026	0.7
149.13252	4.5
150.09169	0.9
151.11125	3.0
152.10727	1.5
154.12296	2.3
154.79874	0.5
159.11662	0.8
164.14417	0.5
166.08632	2.8
166.12318	0.5
166.15916	20.7
166.51453	0.5
167.14304	0.5
167.16237	0.5
169.12260	6.1
176.10605	0.6
176.14336	1.0
190.12358	0.7
194.15439	4.2
210.18527	2.6
212.16452	77.0
213.16762	3.8
236.16350	1.0
238.18018	49.5
239.18390	3.1
256.19070	100.0
257.17007	4.2
257.19766	5.1
287.68427	0.5
310.23798	1.6
328.24619	1.1
345.24338	0.9
363.25174	4.1
364.24789	1.7
390.84348	0.5
406.29459	6.9
424.30566	64.7
425.30939	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	424.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	1.1
55.05508	6.7
56.05022	0.7
57.03421	0.8
57.07053	1.6
57.60670	0.6
58.06602	0.7
67.05515	4.7
69.07068	11.9
70.06572	1.3
70.43894	0.8
70.44225	1.2
71.08627	1.2
72.08128	1.3
73.06543	1.3
79.05491	4.7
81.05799	0.7
81.07059	10.7
81.12553	0.8
82.06547	2.5
83.04964	0.9
83.08624	5.9
84.08106	2.6
85.06539	0.7
86.06069	15.4
86.09699	1.1
91.05464	1.8
93.07050	8.4
95.08591	4.0
96.08138	10.1
97.06499	2.6
97.10134	0.9
98.06030	3.3
98.09664	2.2
99.04449	4.3
105.06987	1.3
107.08579	6.4
108.08091	2.4
109.06502	2.3
109.10130	2.5
110.09686	5.3
111.08062	1.3
112.07565	1.4
114.09151	0.9
116.10748	5.4
119.08563	0.8
120.08047	0.8
121.10150	3.1
122.09631	1.8
123.08038	1.6
123.11713	0.9
124.07578	3.9
124.11224	3.3
126.09137	1.1
131.08508	0.7
135.11655	0.7
136.11165	1.2
138.09125	0.8
141.09113	0.9
142.08641	13.1
143.09013	0.7
149.13268	4.2
151.11156	2.5
152.10681	1.2
154.12241	2.7
164.14366	0.7
164.39674	0.6
166.08691	1.6
166.15915	21.3
169.12257	5.1
194.15439	3.3
210.18565	2.0
211.68584	0.7
212.16452	72.4
213.16789	3.9
238.18024	46.1
239.18398	3.3
256.19073	100.0
257.16928	3.7
257.19745	5.6
310.23779	1.7
321.88269	0.7
328.24713	1.0
338.52341	0.6
345.24084	0.8
363.25327	4.1
406.29382	5.5
424.30585	62.3
425.30960	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	424.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	8.2
57.07077	76.2
62.14122	3.0
67.05514	8.1
67.76031	2.5
69.07072	8.9
71.08638	45.4
71.28009	3.0
71.58768	3.1
73.06547	3.8
79.05500	5.4
81.07063	8.9
83.08613	5.6
83.56441	2.4
85.10189	30.8
89.06032	100.0
89.06569	5.6
91.05467	12.9
93.07030	7.5
95.04989	4.0
95.08615	5.8
97.10173	7.2
99.11735	6.2
105.07063	6.1
106.87417	2.8
107.07083	2.8
107.08604	5.5
109.06551	3.6
109.10167	4.9
111.11724	5.7
119.08587	5.5
121.10175	3.5
121.14510	2.9
123.08096	3.5
133.08609	57.9
133.10115	3.3
135.08075	3.3
136.11261	8.3
145.10112	3.1
147.11598	2.7
149.25340	3.1
151.09627	4.6
156.19952	2.8
157.10310	3.2
165.12766	5.8
177.11272	15.1
239.14893	41.4
248.41492	2.9
252.17235	3.2
298.13373	3.2
367.20215	3.4
407.33688	26.8
408.34305	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	425.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	61.1
56.96853	2.9
69.03427	2.5
69.15468	13.1
71.95266	2.9
81.03414	2.1
83.53033	1.7
84.60283	1.9
84.96045	17.1
85.02910	3.4
85.06577	2.3
97.02918	2.2
98.97588	100.0
99.97903	2.3
110.97568	21.8
112.99143	4.5
115.07610	1.8
116.98628	52.4
119.04980	2.6
124.99121	2.6
128.98608	28.1
131.00183	6.6
134.99643	21.4
140.98611	4.1
143.00159	13.4
144.98029	2.9
146.99666	15.5
147.04387	9.3
147.20534	2.0
149.01221	4.2
155.03250	1.8
155.86925	1.6
158.99655	9.3
161.01230	27.6
162.99130	3.3
163.03926	3.2
170.99657	6.7
177.00702	12.7
179.02283	8.1
182.99660	2.5
189.00746	5.7
194.99692	1.7
195.01733	2.6
195.03381	4.0
201.00731	10.7
203.00191	3.2
207.01717	2.4
209.01080	2.0
211.02719	2.4
213.00690	3.7
213.04124	2.1
217.09480	2.3
219.01753	39.9
220.02063	1.8
221.01186	4.9
221.03078	3.1
237.02798	58.0
237.05014	3.1
238.03008	1.7
239.02272	46.5
240.02689	2.0
242.03490	2.2
245.05078	2.5
245.09207	4.0
255.03838	4.3
257.03357	30.1
258.03699	2.3
261.02661	2.0
263.02173	2.9
263.10089	2.6
275.02136	2.2
279.03983	3.2
281.03247	9.6
293.03311	3.1
299.04428	2.8
305.03238	2.4
317.03308	10.9
323.04407	2.9
325.05978	2.8
335.04431	3.5
347.04422	4.0
353.05618	1.8
365.05450	18.8
383.06406	30.2
384.06827	2.1
401.07578	6.3
406.08344	2.2
425.07629	49.9
425.17807	44.6
426.07858	4.2
426.13696	4.6
443.08673	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82016	0.4
62.13199	0.5
63.62351	0.5
64.87322	0.5
64.96130	0.6
66.03352	0.5
68.51211	0.5
69.86891	1.4
69.87280	1.2
70.99854	0.6
82.99802	2.7
94.93000	0.5
97.02905	0.6
101.00879	19.1
107.78567	0.5
109.02911	1.2
113.00868	4.1
119.01926	20.9
120.02018	1.1
122.98360	0.4
127.02423	3.3
131.01923	8.7
132.02042	0.6
137.02962	2.1
139.02383	1.6
142.01204	0.5
143.01904	33.6
144.02051	2.0
145.03471	9.1
147.01378	0.9
147.04878	0.5
149.02959	0.9
155.01903	14.2
156.02002	1.1
157.03468	6.0
161.02963	46.9
162.01906	0.5
162.03055	3.1
163.04518	1.1
167.01903	8.7
169.03464	2.7
171.05078	2.5
173.02963	19.5
174.03119	0.9
175.04547	2.2
179.01907	3.8
179.04042	0.7
181.03413	0.6
184.04626	0.8
185.02963	37.4
186.03122	2.9
187.04541	3.7
191.03998	5.5
197.02972	15.1
198.03181	1.0
199.04622	0.9
203.03995	16.0
204.04150	1.2
205.05328	0.5
209.03018	1.7
215.04025	7.3
221.05060	1.1
227.03996	7.7
233.05118	0.8
239.04088	1.1
240.66708	0.6
245.05078	100.0
246.05286	8.6
257.05118	6.8
263.06140	24.8
264.06390	3.4
275.06131	11.5
276.06320	1.5
293.07233	4.6
305.07129	8.9
306.07321	0.9
317.07425	0.6
335.08371	2.3
365.09406	5.4
425.06018	0.9
425.11444	3.2
431.85986	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.8
67.05478	4.4
69.07055	2.4
69.77359	3.7
79.05470	4.9
81.07059	9.1
83.04987	1.6
83.08585	1.7
91.05470	2.2
93.07024	3.3
93.50043	1.0
95.04945	1.5
95.08587	4.0
97.06532	3.2
105.07033	2.3
107.05018	1.1
107.08610	2.1
109.10139	1.4
125.09615	1.2
161.02858	2.6
163.03824	1.1
187.00926	1.1
201.03664	1.9
203.05414	2.6
213.27563	1.2
229.01857	1.6
243.04764	13.3
245.06284	8.9
271.04172	1.8
287.03741	100.0
288.04065	2.8
289.05295	85.1
290.05542	3.5
359.29446	1.1
381.18631	5.1
424.30502	1.8
425.17590	60.0
425.30576	3.2
426.18054	5.2
443.20395	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1781
Annotation	Tyr Trp Gly
Peak:m/z	Relative Intensity
53.86981	0.3
56.96574	0.5
57.03444	0.3
62.19353	0.3
69.03426	1.2
70.06589	0.4
71.28135	0.4
80.04993	0.6
81.03410	0.4
83.04967	0.6
85.02914	1.1
95.04939	0.3
97.02885	0.5
98.97597	0.9
99.04457	0.7
105.09743	0.3
108.04540	0.3
119.04955	1.2
123.04282	0.6
144.06537	0.8
147.04405	5.2
163.03914	0.4
165.05550	0.4
202.08389	1.8
211.37936	0.3
237.02740	0.6
239.02122	0.3
245.05020	0.5
245.12901	0.6
246.07440	0.5
252.74057	0.3
425.17850	100.0
426.13388	1.0
426.18338	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
63.69437	2.6
69.03413	3.1
69.51382	11.4
73.68818	2.7
79.05489	4.8
80.05028	23.6
91.05481	5.1
100.65710	3.3
103.05489	16.5
107.04950	11.3
110.39690	2.8
130.66174	3.0
131.04930	13.8
149.05962	3.8
159.52399	3.0
163.12862	2.8
180.08269	3.6
182.09656	4.5
200.10666	6.0
216.65228	2.9
219.21043	3.0
228.10194	100.0
229.10587	8.3
231.12836	2.7
245.11539	15.4
263.12497	6.8
275.13876	3.0
290.17087	2.9
418.90836	3.5
425.12799	3.0
425.17688	58.1
426.18347	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.23
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96741	11.7
55.05515	22.1
56.64153	13.0
67.05489	49.4
68.32541	11.1
69.07072	25.7
69.08182	27.7
69.08586	93.0
71.04975	22.6
71.08630	12.7
79.05499	39.0
81.03402	14.3
81.07044	37.3
83.04980	15.2
91.05475	49.7
93.07043	47.9
95.04970	41.4
95.08596	39.1
97.06503	26.5
97.10168	16.4
97.18622	11.2
98.22507	19.4
104.73575	11.5
105.06995	70.3
107.04920	24.3
107.08580	36.1
109.06522	24.0
109.10151	45.9
119.08587	46.9
121.10154	15.8
123.08030	19.0
125.09657	12.1
131.08543	32.2
133.06453	12.8
133.10095	29.9
133.27991	11.6
135.08046	23.0
135.11699	16.5
137.06035	14.0
139.11150	13.9
145.10121	21.0
147.08028	12.3
149.09563	15.0
151.07544	19.0
157.10138	14.9
159.08102	11.2
167.10623	18.6
171.11627	15.0
275.33029	13.6
277.51431	12.7
389.23032	14.1
401.76242	14.3
425.22327	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	425.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	2.0
56.75641	1.7
67.05498	5.5
69.03426	1.8
69.07052	5.1
71.36763	1.7
71.54716	1.5
77.48513	1.8
79.05482	3.0
81.07050	6.8
91.05489	4.2
93.07024	4.9
95.08596	6.9
105.07039	9.8
107.08598	4.3
109.06535	3.2
109.10120	4.5
111.08195	1.8
119.08619	4.6
121.10169	4.2
126.02900	5.3
131.08568	3.1
133.10123	10.6
139.03627	2.9
139.47276	1.6
143.08594	3.5
143.45299	1.8
147.17883	1.8
151.07541	3.7
157.10234	2.2
159.11639	2.1
173.09552	1.9
207.09889	5.2
208.80202	1.9
229.36942	2.8
251.12468	3.9
263.16122	2.2
307.15042	2.9
309.16614	5.2
391.24554	100.0
392.24966	11.3
407.24060	38.8
408.24274	2.5
425.22733	6.1
425.27368	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	425.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	16.1
57.07081	15.7
59.87086	6.6
62.81005	7.0
63.50684	6.6
67.05516	34.6
69.07076	37.7
70.81872	8.4
71.30342	11.1
72.40996	7.3
79.05489	17.0
81.07058	69.5
83.08586	14.9
83.51542	7.0
93.07055	42.3
93.33681	6.8
95.08619	100.0
97.10190	7.9
99.77023	8.0
105.07043	29.2
107.08585	69.8
108.32256	7.7
109.10159	56.4
110.58765	9.2
117.66942	7.7
119.08586	34.1
121.10149	53.1
123.11716	22.8
131.08603	9.6
133.10120	21.2
135.11697	38.7
137.13266	15.7
145.10141	19.5
147.11719	31.7
148.20647	7.0
149.13290	33.7
159.11700	24.3
161.13300	22.8
163.14781	14.6
173.13252	12.4
175.14833	15.8
177.16418	23.6
186.57399	7.9
187.14839	14.2
189.16425	24.3
191.18030	13.0
215.18031	11.4
217.19489	20.3
224.46248	8.0
229.19594	11.0
231.21097	9.9
236.08798	7.1
257.22580	11.2
267.25818	7.9
425.37851	71.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.3
55.05513	2.0
57.07074	0.5
57.16846	0.3
59.54327	0.3
62.06082	1.0
63.03062	0.2
67.05508	1.2
69.06734	0.3
69.07076	2.6
70.06599	0.6
71.07368	0.2
71.08632	6.1
71.30234	0.3
72.08141	1.1
79.05484	0.7
81.07061	3.0
82.47425	0.3
83.04973	0.4
83.08628	2.0
84.08145	1.4
86.06070	2.9
91.05482	0.5
93.07037	1.5
95.08615	1.8
96.08144	3.0
97.06523	0.8
97.10180	0.4
98.06058	1.2
98.09693	3.4
99.08110	2.6
105.07021	0.4
107.08595	0.8
108.08110	1.5
109.10143	0.7
109.53974	0.3
111.08016	0.4
113.08360	0.4
114.05630	0.3
114.09209	0.6
116.10737	17.3
117.11080	0.3
119.08629	0.3
121.08952	0.3
121.10103	0.5
122.09676	1.6
124.07565	0.7
124.11223	0.4
125.09679	0.3
126.09136	0.9
133.10153	0.3
135.10451	0.4
136.11215	0.5
140.10660	0.6
142.12305	0.3
143.10664	2.2
144.80669	0.2
147.11584	0.3
149.13274	0.9
150.12772	0.3
154.15910	3.1
163.08800	0.3
164.14313	0.5
166.15901	2.9
168.17509	0.7
170.15419	0.4
178.15955	1.6
179.03542	0.3
187.62241	0.3
196.16983	7.6
197.17374	0.4
214.18018	100.0
214.71938	0.3
215.18356	4.9
226.38850	0.3
238.18008	1.2
239.16417	0.5
256.19067	0.9
257.17505	2.1
310.23785	2.6
328.24826	4.4
393.24924	0.3
399.97754	0.3
408.30917	2.1
426.32172	4.3
427.32654	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.7
53.04150	0.1
55.01862	0.5
55.05497	0.1
57.03427	0.3
61.02913	0.3
66.69997	0.1
67.05480	0.2
69.03090	0.1
69.03433	1.8
69.28728	0.9
69.29143	0.2
71.05001	0.2
71.84354	0.1
72.58843	0.1
73.02901	0.4
77.03928	0.2
78.78965	0.2
79.05480	0.2
81.03419	2.5
81.07037	0.2
83.04984	0.3
85.02908	3.5
87.00829	1.2
87.04464	0.1
89.03903	0.5
90.72324	0.2
91.05479	0.2
93.98038	0.1
95.04971	0.4
97.02888	1.8
97.06541	0.2
98.23475	0.1
99.04430	0.7
100.39939	0.2
101.47198	0.1
105.01864	0.9
105.03386	0.6
105.04529	0.1
105.06994	0.2
107.04941	0.3
107.08600	0.2
109.02869	2.8
109.86184	0.2
110.03209	0.2
111.04418	0.2
117.01848	0.3
117.03349	0.3
119.04918	0.2
121.02760	0.2
121.06538	0.2
121.10140	0.2
122.06032	0.7
123.04431	10.3
124.04736	0.2
127.03918	3.1
129.01884	0.2
133.02853	9.0
135.04420	1.7
136.07442	0.2
137.05943	0.2
141.48720	0.1
145.04936	0.9
147.02879	0.2
147.04393	0.5
150.07776	0.3
151.03903	4.0
159.02885	1.1
162.05504	0.2
179.03394	100.0
180.03735	3.5
180.06421	0.8
203.05281	0.3
213.03773	0.2
231.05066	0.6
237.09016	0.3
265.10419	0.2
265.14410	0.2
295.06110	0.2
427.14423	0.5
427.19986	3.9
428.15222	0.4
428.20163	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.2
53.03947	0.8
55.01863	0.5
57.03424	0.4
60.39322	0.1
60.90887	0.1
61.02915	0.2
67.05502	0.2
68.99779	0.2
69.03429	1.8
70.06564	0.1
70.62505	0.3
70.62868	0.3
71.05014	0.2
71.05606	0.1
73.02915	0.5
77.03931	0.2
79.05494	0.2
81.03427	1.9
83.04990	0.3
84.08132	0.2
85.02907	3.3
87.00833	1.5
89.03911	0.4
91.03944	0.2
95.04973	0.3
97.02893	1.3
99.04481	0.6
105.01857	0.9
105.03384	0.5
107.04947	0.2
108.04507	0.2
109.02876	3.2
117.01818	0.2
117.03371	0.4
117.50491	0.1
119.04900	0.2
122.06049	0.6
123.04426	10.0
124.04781	0.3
127.03919	3.5
129.01875	0.3
133.02852	9.3
134.03148	0.2
135.04414	1.8
145.04956	1.2
146.96378	0.1
147.02927	0.2
147.04413	0.7
151.03905	4.1
159.02917	1.2
162.05464	0.2
179.03392	100.0
180.03735	3.9
180.06410	0.9
213.03822	0.3
219.11893	0.1
231.04982	0.4
231.95064	0.1
237.95900	0.2
265.10437	0.2
265.14365	0.2
269.67020	0.1
295.05881	0.3
349.07239	0.2
361.84055	0.2
396.95718	0.1
427.09653	0.2
427.19934	1.7
428.14679	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1112
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88440	1.1
68.78434	1.2
69.27622	6.2
69.28024	1.5
79.58970	1.1
84.91195	10.7
112.89605	1.4
136.93996	1.8
145.01692	1.7
163.02713	2.2
185.02849	1.4
187.02715	2.0
203.05800	4.5
204.04129	1.5
205.03850	1.5
247.04781	8.4
261.70358	1.3
265.06009	1.4
410.08533	10.3
427.11115	100.0
428.10736	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	427.1212
Annotation	Asn-Trp-OH
Peak:m/z	Relative Intensity
69.03426	1.2
69.12614	1.2
69.13017	3.7
70.06581	0.7
76.35912	0.6
85.02898	1.4
92.73251	0.6
94.06565	1.2
96.04478	0.6
97.02914	0.9
99.08096	1.1
102.50930	0.5
114.95099	0.7
122.06041	10.9
147.04428	1.0
150.07761	7.2
179.03418	1.5
190.42538	0.6
201.03648	0.7
203.05255	2.3
247.12938	0.8
265.09970	0.7
397.18100	3.4
427.12070	100.0
427.19128	13.2
428.12329	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	427.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26851	0.2
55.05494	0.3
57.04553	0.6
69.03430	0.5
69.07047	0.2
70.06606	0.3
71.29604	0.4
72.13970	0.3
77.46340	0.2
81.03381	0.4
85.02896	0.8
88.76701	0.2
94.04052	1.9
95.04982	0.3
97.10198	0.4
109.02856	0.3
119.04932	0.4
121.06780	0.3
122.06046	1.5
123.06647	1.4
133.05089	0.4
135.08083	0.2
138.89513	0.2
147.04414	1.8
148.04730	0.4
149.05002	0.3
150.07755	100.0
151.08220	1.9
179.03394	1.0
237.09224	0.2
273.74747	0.2
282.11945	0.9
295.11499	16.7
296.11725	1.1
400.33948	0.3
409.90314	0.2
427.18982	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	427.1944
Annotation	Lactuside A
Peak:m/z	Relative Intensity
52.26412	0.4
55.05526	0.5
57.07065	0.8
59.04990	0.8
67.05496	1.0
67.94238	0.4
69.03428	1.0
69.07066	0.4
70.06592	0.4
71.04985	0.5
71.28123	0.5
71.28490	0.4
74.14323	0.4
79.05486	1.2
81.03410	1.1
81.07056	1.0
83.04979	0.5
85.02893	1.3
85.06549	0.5
85.92217	0.4
91.05486	1.4
93.07024	1.1
95.04973	0.5
95.08622	0.5
97.02884	1.0
99.04443	0.6
105.07040	0.6
107.08582	1.0
109.02885	0.5
111.04486	0.5
113.02384	0.5
117.07005	0.7
119.08614	0.9
121.06542	0.7
122.06026	0.9
127.03950	0.8
135.08051	1.1
135.11661	0.5
145.06470	0.9
147.04448	1.2
147.08038	1.2
159.11748	0.7
161.09756	0.4
163.07559	1.7
167.07037	1.0
179.07074	1.0
184.07307	0.6
187.11139	0.4
191.06987	3.4
191.08461	0.5
203.05217	0.4
209.08040	4.9
219.08063	0.9
237.09093	1.9
247.13251	2.3
247.16975	0.9
262.29694	0.4
265.10574	0.7
265.14316	12.7
265.17068	0.8
266.14633	0.7
283.09589	0.4
289.05353	0.6
383.16766	0.9
427.19461	100.0
428.19809	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	427.1952
Annotation	Lactuside A
Peak:m/z	Relative Intensity
55.01878	0.6
55.05499	0.4
57.07078	1.9
60.16447	0.3
67.05503	0.7
69.03432	1.4
69.07079	0.5
71.18330	0.6
76.53947	0.3
79.05515	1.3
81.03433	1.3
81.07063	1.3
83.05000	0.9
85.02892	2.5
85.06567	1.8
87.04539	0.4
87.35731	0.3
91.05492	1.5
93.07063	1.4
95.04978	0.8
95.08635	0.6
97.02915	1.0
99.04485	0.5
100.28738	0.3
104.28974	0.3
105.07056	1.1
107.05017	0.4
107.08615	2.1
109.02930	0.8
111.08064	0.5
113.02402	1.4
115.05513	0.6
117.07039	1.0
119.08613	1.5
121.06561	0.9
122.06030	0.4
127.03939	1.0
131.08638	0.6
133.10188	0.5
135.04495	0.4
135.08066	2.2
135.11784	0.5
143.08568	0.6
145.06474	2.1
145.10115	0.4
147.04434	1.0
147.08076	3.9
149.06009	1.0
153.07053	0.5
159.11737	1.4
161.09668	0.5
163.03957	1.5
163.07542	3.7
165.05562	0.5
165.07001	0.6
167.07088	1.1
179.07001	1.8
179.10773	0.5
181.06525	0.6
181.08762	0.4
187.11263	0.5
191.07036	7.1
191.08694	0.4
192.07434	0.5
201.12782	0.5
209.08076	10.1
210.08643	0.6
219.08273	0.5
229.12196	0.7
237.05402	0.4
237.09143	1.3
247.13281	5.4
247.17033	0.9
265.10693	1.3
265.14359	24.1
266.14746	1.1
291.09586	0.4
406.32419	0.4
427.19464	100.0
428.19879	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	427.194
Annotation	(+)-Cyanocycline A
Peak:m/z	Relative Intensity
54.73135	0.3
55.05504	0.8
55.68312	0.4
56.96548	0.3
67.05496	0.7
68.73028	0.3
69.03421	1.0
81.03419	0.7
81.07053	0.5
82.25812	0.3
83.05002	1.4
83.64754	0.4
83.67518	0.3
84.08180	0.4
85.02889	1.6
85.06554	0.4
91.05500	0.5
93.07047	0.5
94.06579	0.8
95.04938	0.5
97.02888	0.8
97.06513	0.5
98.97620	0.6
99.04458	0.9
105.07093	0.3
107.08610	0.3
109.02885	0.7
110.06049	0.5
119.04946	0.7
121.02816	0.3
122.06034	2.2
123.04441	1.6
127.03928	1.1
131.08575	0.4
133.02855	1.8
135.04404	0.6
145.04971	0.5
145.10095	0.5
147.04401	2.4
150.07750	0.7
151.03929	0.9
152.10674	0.4
161.09595	0.3
163.03943	0.7
165.08887	0.3
173.89279	0.3
179.03398	15.1
180.03775	0.7
184.09837	0.4
203.05327	2.0
219.02011	0.4
247.13124	1.2
247.17039	0.4
265.10114	0.5
265.14063	1.9
266.10327	0.3
339.24957	0.3
358.97467	0.3
397.18433	1.2
409.19232	0.5
427.19464	100.0
428.15128	0.9
428.19925	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	427.1956
Annotation	Naucleidinal
Peak:m/z	Relative Intensity
53.03947	2.7
55.01871	1.9
55.02181	1.1
55.05514	2.7
56.49150	1.5
57.03436	2.6
60.89054	1.3
61.02925	2.5
65.03943	1.8
67.05511	3.4
69.03421	8.8
69.39600	1.4
69.60008	6.4
71.05012	2.9
73.02901	1.8
74.64575	1.4
81.03429	3.8
81.07058	3.4
81.63017	1.4
83.04976	3.1
85.02906	15.4
87.04501	1.5
91.05495	6.1
93.07040	4.4
95.04971	6.5
97.02885	8.6
97.06554	1.6
99.08072	2.1
105.07032	10.8
107.08591	2.9
109.02893	3.9
109.06524	4.7
111.04450	6.2
113.06013	2.2
117.06979	3.2
117.09157	2.8
119.04948	3.0
119.08572	12.0
121.06519	6.3
122.06051	3.3
123.08031	2.4
127.03937	4.0
131.08595	5.0
133.10164	3.1
135.08067	9.3
137.09593	2.5
143.08572	2.5
144.09442	1.6
145.05017	3.5
145.10114	5.1
147.04396	15.8
147.08044	4.4
147.11678	3.0
149.09691	1.9
150.07782	3.4
157.10103	4.9
158.07294	2.0
159.08090	6.4
159.11670	3.8
161.09639	5.5
163.04044	1.7
165.09138	2.8
168.09404	2.0
172.08769	2.4
173.09627	3.5
173.13329	3.5
175.07545	7.6
175.11209	6.7
179.03392	13.2
183.11641	1.9
185.09561	2.2
187.11154	4.0
189.12709	2.2
193.08626	2.5
196.08928	1.7
199.11292	2.6
201.12743	7.2
203.05278	2.4
203.10721	7.3
211.11206	2.8
217.12239	3.5
219.13817	2.7
229.12262	5.5
235.13275	1.7
247.13280	14.2
261.23126	1.4
265.14352	31.4
266.14514	2.4
427.19913	100.0
428.14905	6.9
428.20395	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	427.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	14.3
55.01873	20.3
55.05513	23.9
57.03435	27.9
59.05001	2.3
61.02905	3.3
63.93029	2.1
66.18232	2.6
67.05503	26.1
68.64951	2.0
69.03429	61.9
69.07073	9.8
71.01349	2.9
71.05000	20.3
73.02927	5.7
79.05490	32.1
81.03416	100.0
81.07057	26.1
83.01322	5.7
83.04975	37.2
83.08623	15.6
85.02903	28.5
85.06542	4.7
87.04485	3.8
91.05486	21.2
93.07043	37.3
95.04974	9.6
95.08627	15.5
95.49144	2.1
97.02892	44.8
97.06532	14.6
97.10179	7.2
99.04448	19.8
101.02377	3.6
103.03944	6.5
105.07030	12.2
107.04982	10.2
107.08602	17.3
109.02879	28.4
109.06533	7.0
109.10162	7.6
111.04440	25.3
111.08081	6.3
117.07046	9.6
119.08581	11.8
121.02866	2.7
121.06592	4.5
121.10133	14.0
122.06055	4.1
123.04472	3.8
123.08065	5.0
125.06010	2.8
125.09650	5.3
127.03908	38.8
129.07033	4.4
131.08600	8.0
133.10156	5.2
135.08127	4.7
135.11687	27.3
139.03932	3.1
139.38086	2.2
143.08565	2.9
145.10103	17.6
147.07968	3.1
147.11691	5.7
149.09688	3.3
153.12762	27.3
159.11722	2.7
163.11195	33.0
173.09659	8.3
181.12219	27.0
183.04904	2.5
183.06580	4.3
189.11263	6.0
191.10674	15.0
201.07587	3.9
205.12204	2.4
209.11702	13.0
227.12766	43.0
227.14810	3.7
247.16988	3.0
265.14377	9.0
283.15329	5.4
289.14493	4.5
335.15085	3.6
353.15948	14.8
381.05710	2.4
391.16306	3.3
409.17545	3.6
427.19601	95.4
427.24918	7.5
428.20175	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	428.098
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	36.6
64.56371	1.0
69.28505	8.1
70.06586	1.1
71.95274	2.1
81.80442	1.0
84.96036	5.2
85.02900	2.0
91.05808	1.8
97.02892	1.6
98.97585	51.7
110.97575	8.4
112.99167	2.0
116.96436	1.1
116.98618	19.8
124.00745	1.8
124.99982	2.4
127.00719	2.8
127.03986	1.2
128.98616	8.1
131.00171	1.2
134.99675	3.8
138.02284	10.0
140.98549	2.0
143.00171	4.1
146.99687	2.4
150.02339	1.6
154.01797	4.0
155.00165	1.7
156.03326	7.4
158.99640	11.9
159.00627	1.1
161.01266	3.4
166.01799	1.6
167.05499	1.2
168.03358	1.8
170.01390	1.2
172.02861	3.7
177.00684	11.4
178.05400	9.8
180.03262	1.2
184.02908	2.3
189.00734	2.0
190.03989	1.1
192.19270	1.0
196.06462	16.0
201.00706	5.7
204.03496	11.8
206.04955	2.6
209.03555	1.0
210.04477	3.0
214.07500	3.1
219.01701	12.5
220.02820	1.3
222.04379	100.0
223.04735	3.5
224.06003	5.7
227.99548	1.0
234.04341	1.4
237.02835	13.1
240.05429	35.7
241.05670	2.1
242.07013	2.3
243.01746	12.9
245.06042	1.6
246.00388	1.4
246.04358	3.1
248.03323	5.1
255.42880	1.0
261.02792	8.6
261.09180	1.0
264.05435	39.8
265.05902	2.1
265.09961	1.6
266.03403	3.9
266.10281	2.2
268.04971	1.3
282.06485	28.8
284.04410	4.9
285.02664	1.8
300.07617	3.2
308.04361	8.9
311.04544	1.5
315.51355	1.2
321.02948	2.4
324.07629	4.4
326.05414	7.2
359.02731	3.1
368.06497	6.2
369.04922	10.9
387.06012	13.5
400.55356	1.2
428.09335	28.2
428.15536	3.2
429.07193	3.9
429.20859	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43911	2.2
50.64749	2.2
53.03944	2.7
53.96844	2.0
55.01866	2.6
55.05515	2.5
57.03428	7.9
67.05495	7.6
69.03439	12.7
69.07061	2.6
71.05019	2.8
76.78053	1.9
79.05508	8.5
81.03412	14.9
81.07055	9.5
83.04984	6.4
85.02908	9.8
86.94741	2.3
87.73790	1.9
91.05458	13.5
93.07047	6.4
95.04985	4.4
95.08618	4.0
97.02886	14.5
97.06509	2.5
98.22566	5.2
99.04466	3.7
105.07045	7.3
107.04973	3.1
107.08607	4.1
109.02892	5.1
109.10119	3.2
119.04933	16.9
119.08598	5.5
127.03904	7.4
127.38287	2.0
129.06984	2.9
131.08591	3.3
133.10158	3.0
145.10146	2.1
147.04405	100.0
147.11700	6.2
148.04753	2.8
157.90196	2.3
165.12796	2.7
175.11267	4.0
176.75404	2.1
188.44260	2.3
193.12260	4.9
211.13330	5.2
231.06636	3.6
267.12106	11.2
267.15976	5.2
309.09766	5.0
411.23569	2.9
428.19714	8.5
429.16068	3.0
429.21417	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	428.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.4
53.53853	1.0
55.01877	6.0
55.05519	7.5
57.03436	8.5
57.07076	10.5
58.06596	20.3
59.07391	6.2
60.08165	5.9
61.02915	3.2
61.38253	1.0
67.05504	4.8
68.99767	2.0
69.03429	18.0
69.07059	1.8
69.13838	3.7
69.14262	3.1
71.04987	3.3
72.79947	0.8
73.02916	3.8
73.04745	1.1
75.04466	2.1
78.99272	0.9
79.05501	5.1
81.03418	28.1
81.07053	3.6
83.04981	5.9
83.08633	4.9
84.04491	1.5
85.02905	35.9
85.06528	3.0
87.00836	14.2
87.04456	5.4
89.06032	28.0
91.05484	4.0
93.07035	2.9
95.04974	4.1
95.08599	3.0
97.02884	14.2
97.06553	1.3
99.04452	4.8
101.09653	10.7
105.01865	9.2
105.07043	3.7
107.04960	3.2
107.07071	28.3
107.08582	1.7
109.02884	11.8
109.55385	0.8
111.04459	1.8
111.08073	1.2
111.86095	0.9
117.01850	1.6
119.08582	3.2
121.06517	1.4
121.10142	1.7
123.04401	1.4
127.03909	21.1
128.04236	1.3
129.06912	1.1
131.07047	1.2
131.08601	1.5
133.10155	1.4
138.05505	1.4
138.09152	2.0
144.10211	4.9
144.11205	0.8
145.04944	8.1
145.10150	1.5
147.04405	2.2
147.11652	1.5
157.10107	1.2
159.02921	6.6
162.05518	3.6
162.11250	3.9
163.03847	0.9
163.13293	100.0
164.13647	4.0
167.08598	0.9
173.09598	1.4
175.11169	1.1
180.06552	9.1
180.10204	2.3
183.08046	1.2
184.13365	4.9
193.12273	1.9
195.08168	1.0
209.06175	0.9
211.13284	2.2
213.03802	2.2
225.09109	1.4
231.04933	5.4
235.13275	1.2
236.14923	68.4
237.09183	1.0
237.15204	3.5
267.11978	1.5
267.15942	1.8
283.09555	1.4
309.17093	1.2
359.02832	1.7
385.17923	1.1
410.25269	18.1
410.30215	1.3
428.20297	2.9
428.26413	43.7
429.17389	5.1
429.21481	3.0
429.26694	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	428.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.4
55.01855	2.9
55.05515	2.9
57.03442	28.3
57.07064	5.8
58.06588	2.9
61.02925	10.6
67.05510	3.8
69.03432	33.6
69.07062	3.4
71.01354	2.2
71.28506	3.7
72.99085	2.3
73.02921	39.5
79.05493	4.1
81.03403	8.4
81.07052	3.7
83.05017	4.3
85.02908	100.0
87.04485	4.0
91.03961	3.7
91.05481	5.5
93.07046	3.2
95.05001	2.5
97.02895	46.6
97.06567	6.3
99.04448	7.0
105.07036	5.0
107.08548	2.7
109.02879	12.1
115.03926	25.3
121.06603	2.4
121.10155	3.0
122.09633	2.4
127.03917	29.7
131.08517	2.3
133.04976	10.7
145.04956	46.6
162.05429	6.3
163.06010	26.2
180.06564	18.5
181.06810	3.1
184.13272	2.4
213.05357	3.0
223.05957	2.6
236.14941	7.3
241.07053	5.0
260.22650	2.7
410.25809	4.1
428.19037	3.5
428.24704	2.4
429.20609	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	428.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.4
55.01855	2.9
55.05515	2.9
57.03442	28.3
57.07064	5.8
58.06588	2.9
61.02925	10.6
67.05510	3.8
69.03432	33.6
69.07062	3.4
71.01354	2.2
71.28506	3.7
72.99085	2.3
73.02921	39.5
79.05493	4.1
81.03403	8.4
81.07052	3.7
83.05017	4.3
85.02908	100.0
87.04485	4.0
91.03961	3.7
91.05481	5.5
93.07046	3.2
95.05001	2.5
97.02895	46.6
97.06567	6.3
99.04448	7.0
105.07036	5.0
107.08548	2.7
109.02879	12.1
115.03926	25.3
121.06603	2.4
121.10155	3.0
122.09633	2.4
127.03917	29.7
131.08517	2.3
133.04976	10.7
145.04956	46.6
162.05429	6.3
163.06010	26.2
180.06564	18.5
181.06810	3.1
184.13272	2.4
213.05357	3.0
223.05957	2.6
236.14941	7.3
241.07053	5.0
260.22650	2.7
410.25809	4.1
428.19037	3.5
428.24704	2.4
429.20609	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	428.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17117	0.4
53.03928	0.7
53.12179	0.3
55.01849	1.5
55.05515	2.3
56.05035	0.4
57.03437	7.4
58.06602	38.3
59.06920	0.6
59.07383	13.9
60.08167	9.8
61.02898	0.5
63.59669	0.4
67.05501	4.7
69.03409	0.6
69.07041	0.9
70.35252	1.1
71.05000	0.6
73.02898	0.8
74.52358	0.4
75.04480	4.8
77.03896	0.4
77.76726	0.5
79.05495	4.2
81.03420	1.9
81.07057	4.2
83.04987	3.6
84.08114	0.9
85.02916	2.7
87.04472	5.3
90.74051	0.4
91.05471	5.8
93.05473	0.7
93.07042	2.9
95.04926	1.2
95.08611	2.2
97.02890	0.5
97.06496	0.8
100.11249	0.5
102.05495	0.5
103.03962	0.9
105.05518	0.8
105.07044	3.4
107.08594	0.6
109.06507	0.7
113.05990	1.0
117.06904	0.4
119.04881	0.5
119.08578	1.8
126.95795	0.4
129.06987	1.0
130.08647	0.6
131.07042	2.5
131.08559	1.0
133.10103	1.1
142.07748	0.7
144.10196	9.2
145.10246	0.5
147.11662	0.9
149.09686	0.5
157.10118	0.5
159.06491	0.5
162.11261	5.5
163.03978	0.5
174.09154	0.9
185.82376	0.4
218.13867	1.0
221.42796	0.5
224.70058	0.5
236.14922	100.0
237.15268	3.7
297.11780	0.5
311.12799	0.5
410.25388	20.1
411.25473	1.9
428.26425	84.2
429.19827	0.8
429.26816	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	428.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	17.5
67.05502	55.9
69.07048	19.5
71.07116	36.8
71.08607	19.8
72.89323	16.8
79.05498	49.8
81.07042	52.3
91.05495	65.9
93.07043	68.3
95.04969	24.0
95.08588	31.6
97.06548	23.7
98.03170	16.8
105.07040	82.3
107.08568	30.6
109.10166	22.9
113.00003	23.1
117.07040	47.0
119.08562	45.8
121.10168	31.9
126.74075	19.3
129.07007	25.7
131.08577	53.4
133.10115	28.8
149.02353	100.0
155.10745	19.1
163.03867	21.4
169.02702	29.3
193.05011	48.5
239.10626	22.9
247.30550	19.1
385.09207	44.6
429.11368	38.9
429.19009	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26254	27.5
51.39051	28.2
55.05496	30.1
66.20855	28.3
67.05487	54.6
71.30672	29.6
79.05472	85.3
81.07056	78.4
83.56254	33.3
84.36779	29.5
88.61636	32.2
90.46013	30.0
91.05479	95.1
93.07067	51.4
95.04920	43.5
95.08626	54.0
105.07029	67.6
107.08584	48.0
113.00040	35.3
117.07025	100.0
119.08591	66.0
129.07014	50.7
131.08559	66.7
145.10130	41.6
149.02330	77.4
159.11670	36.2
163.03835	49.1
169.02641	55.6
171.11584	42.0
193.62305	31.8
212.29231	32.6
213.05428	45.1
429.12054	53.8
429.19156	95.0
439.49472	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03267	1.4
56.96566	38.7
69.03428	2.2
71.95248	1.6
73.04771	10.8
78.10272	1.3
81.79937	1.3
84.75275	1.2
84.96026	15.3
85.02914	2.2
91.05798	17.0
97.02901	2.7
98.97587	100.0
99.97948	1.3
110.97573	29.8
112.99139	6.4
116.97800	2.8
116.98623	41.0
124.99083	2.0
128.98613	35.4
131.00156	7.0
134.99625	11.8
138.02225	1.9
140.00160	1.8
140.98569	3.7
143.00179	13.7
144.98097	3.6
146.99646	14.6
149.01245	2.1
149.04517	2.4
152.98589	2.1
153.00719	1.8
158.99666	15.4
159.99915	1.8
161.01213	18.1
162.99107	2.0
165.00725	1.6
165.99431	1.8
167.00130	1.5
167.05539	7.7
170.99644	6.3
174.99080	1.8
177.00697	15.4
179.02263	4.5
182.99635	2.1
184.00385	2.2
189.00690	8.0
194.99687	3.3
195.01649	1.9
201.00690	9.0
205.03668	1.7
206.99670	2.2
207.01831	1.8
213.00665	4.0
219.01785	48.8
222.04364	9.2
223.04741	11.0
225.00711	3.9
225.04399	2.1
227.99405	6.5
237.02829	71.0
238.03313	1.4
240.05406	4.9
241.05774	5.0
243.01768	34.5
244.02106	1.8
246.00487	3.0
255.03857	4.9
261.02820	36.1
264.05399	1.7
265.05685	4.9
273.96283	1.4
279.03909	5.0
282.06442	3.3
283.06870	3.8
285.02863	6.1
306.00500	2.4
309.02481	1.8
311.04376	4.0
321.02921	11.2
327.03699	2.3
329.05511	3.6
339.03925	3.5
342.99628	1.5
351.03934	4.1
359.02917	11.1
369.04877	41.2
370.05298	2.6
387.05988	56.0
388.06250	3.0
410.07156	2.1
429.06769	25.3
429.20966	15.0
430.10934	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	429.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.3
60.14695	0.3
70.33258	0.9
73.04775	0.7
85.02899	0.4
85.46298	0.3
88.25288	0.3
91.05798	1.1
91.10654	0.3
104.78765	0.3
141.47456	0.3
152.71577	0.3
167.05597	0.4
203.05301	1.4
208.51706	0.4
218.03047	0.3
267.15839	0.5
341.01761	0.3
359.02844	1.2
371.16733	3.3
411.20111	1.6
429.20987	100.0
430.21313	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	429.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51976	0.3
64.03127	0.3
66.24062	0.3
67.10493	0.3
68.05055	0.3
69.03432	0.8
70.06591	1.2
72.08152	0.4
73.04768	1.6
77.29662	0.3
85.02903	0.9
86.09676	0.6
91.05806	2.9
95.04987	0.3
97.02890	0.9
115.03954	0.6
127.03949	0.8
135.42271	0.3
138.05502	1.4
147.04393	0.9
149.04485	0.5
157.60107	0.3
167.05557	1.1
169.13356	0.7
191.10518	0.4
203.05222	2.0
227.40141	0.3
239.07053	1.3
249.14696	0.8
267.12134	0.9
270.09857	1.1
359.02808	1.3
360.02957	0.5
371.16733	1.1
429.21002	100.0
430.21365	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	429.24
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65099	0.8
53.03941	1.9
55.05521	4.1
57.03436	6.0
57.07082	1.3
57.13545	0.8
67.05508	12.4
69.07067	3.5
69.45708	2.1
69.46108	3.1
71.04990	0.8
79.05495	11.2
80.80407	0.8
81.03432	1.2
81.07057	13.7
83.08614	1.2
91.05441	5.6
93.07053	14.9
94.07376	1.0
95.08608	8.8
97.06510	0.9
97.10217	0.9
105.07043	5.9
107.08597	8.3
109.06499	1.4
109.10142	5.1
111.08119	0.9
113.00016	100.0
117.07040	2.7
119.08576	4.0
121.10140	7.5
123.11727	2.4
129.07028	1.0
131.01036	0.9
131.08597	5.2
131.83714	0.8
133.10155	3.3
134.42834	0.7
135.11682	6.2
137.13213	1.7
139.01550	1.1
143.08580	1.2
145.10124	3.5
147.11687	4.1
149.09612	1.1
149.13252	3.7
159.04471	0.9
159.11687	3.8
161.13255	1.9
163.03914	3.7
163.14845	3.1
169.02615	86.2
170.02957	1.1
173.02374	1.9
173.13263	2.4
177.16377	1.2
187.03941	1.7
187.14864	2.0
199.03880	1.4
201.16481	1.0
213.05505	2.0
226.70096	0.9
243.21127	8.9
261.22141	19.6
262.22531	1.1
355.15436	1.7
359.03247	1.0
360.27264	0.8
429.13223	1.1
429.19150	11.8
429.24451	0.9
429.31641	1.0
430.19537	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3728
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
53.03951	0.8
55.05507	1.8
57.06807	0.8
57.07077	13.1
67.05504	3.9
69.07073	3.3
71.08291	0.9
71.08632	10.0
71.34274	0.5
81.07051	6.1
83.08611	2.9
85.10187	4.4
91.05483	1.9
92.26781	0.6
93.07037	2.0
95.08609	5.2
97.10147	2.4
99.11695	0.7
105.07013	1.7
107.08611	3.6
109.10152	5.5
111.04439	0.9
111.11745	0.9
119.08598	2.0
121.06501	3.6
121.10144	2.3
122.07262	1.3
123.08054	0.8
123.11684	1.0
125.06010	0.7
131.08557	1.8
133.10132	1.2
135.08054	3.5
135.11681	1.5
136.08817	2.5
137.09616	8.2
139.07541	1.4
145.10106	1.0
149.09616	11.0
151.07536	1.1
151.95833	0.6
159.08070	1.0
159.11729	2.0
160.08884	0.7
161.09674	0.8
163.11192	15.9
164.08331	6.6
164.11436	0.9
165.09119	100.0
166.09433	2.0
173.09624	1.6
173.13271	1.7
175.11133	4.8
176.08316	0.8
177.09091	10.1
177.12758	2.1
179.10611	0.9
186.10442	0.8
187.11165	2.6
189.09067	0.7
189.12759	1.5
190.09900	1.2
191.10674	9.5
193.12210	0.8
201.12735	2.3
203.10738	1.2
203.14305	0.8
204.11430	1.1
205.12230	8.3
215.14409	1.7
219.13857	3.9
229.15868	0.7
233.15396	2.0
247.16922	0.9
261.18430	1.5
275.20001	1.0
289.21674	1.5
317.24927	1.1
345.27972	0.8
401.34225	2.4
411.36115	1.2
429.37299	31.9
430.37915	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	430.1111
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75768	0.7
67.67443	0.8
69.96349	0.8
69.99025	0.7
70.06585	3.4
85.18939	0.7
86.90951	1.1
114.89375	1.5
118.78019	0.8
136.06201	1.0
153.59712	0.8
158.34941	0.8
216.26758	0.8
219.02667	0.9
250.04828	3.0
398.08490	6.0
430.11118	100.0
431.11636	8.3
431.17511	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96547	0.8
70.33150	2.5
78.69927	0.7
79.09262	0.9
79.89841	1.0
80.00958	0.7
86.05575	0.8
114.23637	0.8
213.39310	1.0
224.00360	0.8
235.01750	1.1
250.04301	2.7
253.02600	7.1
254.03410	1.2
268.04898	18.6
269.05371	1.0
271.03662	3.7
272.04398	1.1
286.00421	1.0
286.05960	12.1
310.06067	8.6
363.72556	1.0
398.08624	4.0
430.11066	100.0
431.11523	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	430.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24405	1.0
70.43803	2.8
85.59355	1.2
98.66528	1.0
150.04941	1.0
166.01857	1.0
173.21761	1.3
220.02969	1.6
238.03854	5.4
250.04607	1.7
253.02609	4.8
254.03221	2.2
256.04828	1.5
268.04895	12.8
271.03683	3.6
272.04657	1.2
286.06000	9.7
310.06006	6.4
328.06982	1.3
380.60690	1.2
398.08142	7.8
403.06345	1.0
430.11078	100.0
430.20999	5.1
431.11560	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	430.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.7
69.07066	0.8
70.55201	1.1
70.55537	0.7
71.97132	0.8
79.05486	3.3
80.05018	19.1
81.03432	0.6
81.07071	1.1
86.55692	0.6
91.05422	3.2
93.07049	1.0
95.04943	0.8
103.05466	13.2
105.07034	1.6
107.04946	6.4
107.08587	0.6
108.04505	1.9
117.07104	0.7
119.08557	1.0
120.04324	0.5
121.10133	0.6
127.03896	0.7
129.07098	0.6
131.04924	9.4
149.05965	1.3
155.08499	0.7
158.17992	0.6
164.10738	1.6
167.07329	1.5
168.08130	0.6
172.11169	0.5
180.08109	1.4
182.09654	4.5
184.11215	4.9
200.10744	2.8
203.05263	5.2
206.09409	49.3
206.80708	0.5
207.09724	2.7
224.10477	8.7
228.10184	38.4
229.10495	1.8
250.08392	21.6
251.08757	1.3
261.12424	0.7
268.09360	3.1
286.11099	1.2
291.11060	0.6
386.15656	1.8
430.14728	100.0
431.14999	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	430.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45580	7.2
53.06076	8.5
56.96563	14.8
62.91043	6.9
62.91386	6.8
69.03425	34.3
69.20188	6.2
70.06592	14.3
71.29044	9.2
73.04765	24.9
81.03397	18.3
83.04987	8.5
85.02888	35.7
89.56603	6.6
91.05795	63.6
97.02908	17.3
99.04451	20.5
104.99836	7.1
113.05969	7.4
127.03920	14.5
135.26285	6.4
147.04454	13.1
155.17609	6.1
167.05521	22.8
168.05565	8.7
215.05516	9.7
268.05014	13.4
286.00076	13.9
286.05914	11.1
359.02829	9.3
360.02832	22.5
361.02866	12.1
430.11032	100.0
430.20703	9.4
431.10339	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	430.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.9
57.03443	33.3
57.07082	15.9
59.05021	2.5
61.02933	5.1
63.04196	2.7
63.04498	18.5
69.03436	38.5
70.23339	4.7
70.23678	2.9
71.01361	2.9
73.02924	53.2
79.05476	2.6
80.54418	2.0
81.03397	2.5
83.04987	2.4
85.02914	44.9
86.09742	2.0
87.04450	13.3
97.02898	56.6
98.22662	2.2
99.04463	3.6
109.02866	2.6
115.03932	48.3
119.10703	100.0
120.11079	2.3
127.03922	13.3
133.04988	27.7
145.04947	10.8
147.04436	3.8
163.06046	4.2
167.05531	2.1
201.05511	2.5
223.05988	3.2
241.07053	3.2
259.08157	3.5
343.63217	2.4
389.34879	2.3
430.21420	4.2
431.18414	6.9
431.23389	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	430.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.0
54.24966	4.2
55.01877	8.5
55.05505	14.6
56.85740	3.9
57.03442	16.7
58.06601	27.8
58.84399	3.7
59.07386	9.7
60.08150	9.0
67.05504	23.8
69.03438	11.9
69.07056	15.4
70.16692	11.3
71.00794	3.3
71.05036	4.5
73.04758	4.4
77.47578	3.8
79.05478	35.4
81.03410	35.6
81.07058	46.4
83.04968	8.6
83.08630	5.4
85.02904	33.7
85.06542	4.8
87.04456	6.9
91.05431	36.2
92.05834	4.6
93.07043	36.5
95.04973	16.3
95.08611	31.6
97.02896	10.3
97.06533	15.1
97.10155	4.7
98.29016	3.5
99.04436	4.4
105.07032	56.7
106.07404	5.0
107.04964	9.4
107.08577	35.6
107.18061	3.7
109.02867	4.8
109.06520	13.7
109.10160	14.9
111.08089	4.3
117.07036	12.1
119.08574	36.3
121.06522	14.0
121.10114	21.1
123.08068	25.0
124.96638	3.6
125.09647	5.2
125.56763	4.6
129.07007	7.6
130.07762	7.9
131.08585	45.4
133.06516	4.4
133.10147	18.5
134.93776	4.5
135.08055	13.0
135.11684	11.3
137.09639	10.1
139.07593	4.9
139.70789	4.3
143.08582	9.3
144.10199	8.4
145.05034	11.3
145.10121	42.9
147.04477	3.8
147.08043	10.7
147.11697	16.8
149.09636	13.8
153.01843	5.2
157.10173	11.5
159.08083	5.7
159.11720	31.9
161.09615	6.3
161.13281	7.2
163.03917	4.8
163.05986	4.4
163.11192	15.4
163.14932	4.4
165.09148	16.6
173.09647	6.6
173.13271	12.6
175.11128	7.0
177.16325	4.6
180.08702	5.5
187.14810	31.8
189.12793	6.0
191.14352	8.6
197.13373	4.3
205.15887	43.1
215.14357	16.7
233.15359	18.7
236.14920	100.0
237.15103	4.2
245.04428	5.5
252.17249	4.1
272.72815	3.8
299.05539	8.4
301.03384	8.1
303.05185	4.1
313.03375	16.8
339.19467	9.0
355.08078	30.4
357.20444	10.2
399.10736	19.7
412.26984	20.5
430.19223	15.5
430.28104	72.8
431.13187	23.7
431.23923	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	430.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41090	0.6
53.03941	0.9
55.01875	1.1
55.05504	3.2
67.05498	1.7
69.03415	3.0
79.05485	3.0
81.03433	1.0
81.07047	1.3
83.04990	1.6
85.02894	4.6
91.05472	2.9
93.07041	4.9
95.04976	0.8
95.08615	1.8
97.02872	1.4
97.06525	1.1
98.23831	0.8
102.43227	0.7
104.23910	0.8
105.07032	2.0
107.08595	6.3
109.06451	0.8
109.10098	0.9
109.73691	0.7
116.10720	1.0
119.08525	0.9
121.10171	3.9
123.08079	4.5
127.03843	0.9
127.29289	0.7
131.08553	3.9
133.10156	1.2
135.08086	1.8
137.06070	0.9
137.09660	0.8
149.09619	100.0
150.09950	4.6
155.55225	0.7
159.07997	1.6
161.09639	5.0
175.11244	1.6
177.09113	3.9
179.10664	5.8
181.12239	2.9
191.14291	0.8
193.12245	1.7
233.15358	75.9
234.15694	5.5
250.25272	6.8
268.26431	2.8
275.42639	0.7
316.21317	1.0
430.31409	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	430.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
55.05522	2.0
57.03419	0.4
57.07067	1.1
65.03944	2.7
67.05508	2.8
69.03423	1.4
69.07063	1.5
69.77135	0.9
69.77535	0.7
70.06580	0.4
71.04974	0.5
79.05484	2.3
81.07048	2.9
82.41176	0.4
83.04984	1.0
91.05483	100.0
92.05827	2.9
93.07051	4.4
95.04972	1.0
95.08624	1.5
97.02892	4.6
97.06548	1.1
97.10127	0.5
100.64742	0.4
102.00925	0.4
105.07043	1.5
107.08592	1.2
108.08122	23.2
109.06531	0.7
109.10179	0.9
111.04456	2.6
113.05994	1.0
119.08598	1.1
120.08945	0.4
121.06524	2.2
121.10160	3.8
123.04454	5.7
123.08067	0.5
125.05992	0.6
126.34644	0.4
129.06995	0.4
131.08563	3.5
135.41765	0.5
137.06004	1.0
139.11200	1.0
147.08090	0.8
149.09633	4.7
155.10640	0.6
161.13306	0.8
167.10684	6.9
171.11714	0.6
179.14253	0.4
189.12787	1.2
207.13965	0.5
235.13374	1.6
246.18541	10.9
247.18909	0.5
253.14340	4.0
264.19589	16.5
321.67697	0.5
342.20599	6.4
343.20859	0.6
369.43765	0.5
389.51971	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61311	0.3
55.05506	0.9
57.07078	4.9
58.07410	0.9
62.95577	0.6
67.05502	4.2
69.07066	1.1
71.08631	2.9
72.08954	0.9
75.04841	0.3
79.05481	0.8
81.07053	3.0
82.07381	0.4
83.01334	0.4
83.04978	0.9
83.08622	0.7
83.83757	0.3
84.86744	0.4
85.10169	1.3
91.05462	2.0
93.07045	2.1
95.08609	1.5
96.08935	0.6
97.10178	0.8
98.22546	0.7
105.07039	0.8
107.08607	2.2
109.10152	6.0
110.10488	0.5
111.04457	0.3
117.07035	0.8
119.07784	0.5
119.08585	3.6
120.08846	0.4
121.06496	10.5
121.10135	1.2
122.07252	1.7
125.05980	0.6
131.08554	0.7
133.10057	0.6
135.08029	1.9
135.11702	0.7
136.08847	12.7
137.06015	0.4
137.09612	16.3
138.09982	1.4
139.07565	0.5
145.10146	0.6
149.05960	0.7
149.09604	3.5
150.09967	1.8
151.07529	0.8
152.08321	1.0
159.11713	0.7
160.12029	0.6
162.06798	0.5
163.11208	3.7
164.08331	27.0
164.11403	2.1
165.09106	100.0
166.09441	13.4
173.09599	0.5
173.13208	0.4
174.13617	0.5
175.07515	0.5
175.11208	1.0
176.08296	0.7
176.11562	0.6
177.09091	3.4
177.12666	0.8
178.09560	1.6
178.13075	0.5
187.11150	1.0
188.11508	0.4
190.09781	0.9
190.13084	0.6
191.10635	2.1
192.11015	1.1
201.12694	0.6
202.13011	0.7
204.11034	0.6
205.12224	8.4
206.12553	2.0
216.14749	0.5
219.13794	1.1
220.14116	0.6
303.47379	0.4
304.23468	0.5
402.34363	1.0
412.36581	0.6
430.37982	55.7
431.38303	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	431.243
Annotation	CJ 15544
Peak:m/z	Relative Intensity
52.96321	2.4
53.03941	8.8
54.13880	1.9
55.01881	10.4
55.05515	24.3
56.87369	2.4
57.03435	7.7
58.83704	2.2
65.03941	4.1
67.05506	56.6
68.44756	2.0
69.03430	2.7
69.07070	93.2
70.07429	2.3
71.04993	6.2
71.29048	2.8
73.06544	5.7
79.05494	85.1
80.05831	2.3
81.03424	15.4
81.06587	3.4
81.07059	53.8
83.04969	7.9
83.08627	17.0
85.06532	5.3
91.05476	75.7
93.07037	34.5
95.04969	17.8
95.08600	30.6
97.06528	36.0
97.10165	6.0
99.08046	2.3
103.05471	29.1
105.03391	6.5
105.04546	2.6
105.07022	49.3
106.07342	2.2
107.04943	11.5
107.08601	20.5
109.06526	10.9
109.10146	7.1
111.04441	2.8
111.08089	4.8
115.05468	17.7
115.07573	4.5
116.06232	3.2
117.07016	85.7
118.07275	2.5
119.04926	4.3
119.08581	43.0
121.06502	9.2
121.10156	15.8
123.08068	8.0
125.06003	15.1
125.09605	4.3
128.06229	15.4
129.05533	2.4
129.07013	61.6
131.04948	15.6
131.08569	63.7
131.09500	4.1
132.08946	3.6
133.06474	14.8
133.10139	17.3
135.08046	12.2
135.11694	3.1
137.09627	5.1
141.06978	30.6
142.07841	4.5
143.04881	2.9
143.07048	46.0
143.08565	34.8
145.06491	36.4
145.07651	3.5
145.10109	23.5
147.08064	8.0
147.11671	6.6
149.09630	11.9
153.07031	6.9
153.09105	3.4
154.07809	5.9
155.06172	2.3
155.08549	30.4
156.09198	3.8
157.06491	14.5
157.10153	21.7
159.08047	8.6
159.11719	9.8
161.06085	2.8
161.08095	10.1
161.09593	4.0
165.07045	8.3
165.09113	3.3
166.07823	7.3
167.08574	17.5
168.09300	6.6
169.10106	29.8
171.08072	5.9
171.11676	26.8
173.09560	6.8
173.13252	5.8
175.11235	4.1
179.08594	5.4
180.09349	2.3
181.06467	2.6
181.10120	16.9
182.10864	3.5
183.08125	4.2
183.11688	24.6
185.09645	9.1
185.13258	20.8
187.11205	8.5
187.14815	18.9
189.09230	2.4
189.11201	3.2
193.10101	6.2
195.11671	21.5
196.12303	2.5
197.09631	3.0
197.13254	23.6
198.13765	2.6
199.09634	42.3
199.11255	7.0
199.14735	4.8
201.12839	4.1
205.10107	4.6
205.12149	2.6
207.11700	5.3
209.09680	3.0
209.13199	10.4
211.11139	5.3
211.14899	2.5
213.12685	18.2
215.14316	73.7
216.14691	5.0
217.10646	4.2
223.11186	13.5
225.12758	4.9
227.10728	4.4
229.12244	2.6
231.13911	7.2
233.13107	2.8
233.15285	2.9
237.12856	3.4
241.12209	17.6
243.13974	2.9
255.13805	3.2
259.13248	27.1
265.19601	2.4
271.16916	4.3
275.18069	3.9
283.20538	3.1
289.18036	4.5
293.18951	14.2
303.17383	4.1
311.20068	29.0
312.20468	2.4
313.21661	9.4
315.15891	44.9
316.16284	3.3
321.18530	16.8
322.18863	4.2
333.16953	12.9
339.19559	31.3
339.23282	4.1
340.19873	3.2
357.20474	11.6
358.20947	2.9
367.22607	4.8
375.21674	3.7
385.23776	6.4
395.22272	11.6
413.23257	96.2
414.23697	10.6
431.24319	100.0
432.24557	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	431.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.9
55.05510	5.9
57.03433	1.1
57.06803	1.1
57.07078	22.4
60.58031	0.8
67.01859	2.0
67.05511	4.2
69.02877	6.9
69.07069	7.9
71.08633	16.0
77.90487	0.7
79.05488	1.9
80.11293	0.7
81.07052	9.3
83.04965	2.8
83.08626	6.5
85.10181	8.7
91.05454	2.8
93.07032	5.7
95.04971	1.2
95.08601	8.3
97.10162	3.7
98.23354	1.8
105.07023	2.0
107.08522	1.1
109.06510	4.7
109.10117	4.0
111.04433	1.0
111.08056	1.0
111.11692	3.2
113.13276	0.9
117.07042	0.8
119.08591	1.3
121.06488	2.4
123.08031	3.5
123.11686	1.9
125.13219	0.9
131.08592	1.2
133.06494	1.2
135.08037	2.6
137.05974	14.7
137.09592	1.3
138.06659	2.4
139.07578	3.8
143.08553	1.6
145.98073	0.9
147.08015	3.7
149.05975	4.0
151.07545	29.8
151.14885	1.5
157.10124	1.1
159.08038	2.7
159.72562	0.8
161.05963	5.0
161.09592	2.0
161.13245	0.7
164.08328	1.1
165.05510	7.8
165.09120	14.7
166.06212	2.8
166.09424	1.4
167.07042	100.0
168.07404	3.9
173.09555	0.9
174.06709	0.8
175.07565	5.3
175.11156	2.7
177.05476	0.8
177.09126	6.0
177.12794	1.2
178.06190	0.8
179.07042	3.8
179.10632	3.6
181.08575	4.1
185.09599	0.8
188.08305	2.1
189.09126	6.8
189.12741	1.6
191.06927	2.1
191.10678	2.3
192.07791	1.5
193.08592	10.9
195.10159	2.3
202.09802	1.0
203.10648	7.5
205.12135	1.7
207.10175	15.1
217.12151	4.3
221.11705	7.4
231.13712	2.1
235.13206	3.5
235.16930	1.2
249.14766	1.5
287.05942	0.9
305.20938	0.8
321.05508	0.8
333.23947	0.9
375.28775	1.5
385.34494	1.1
403.35742	2.1
413.34073	5.5
431.35037	36.1
432.35611	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	431.352
Annotation	Stylisterol A
Peak:m/z	Relative Intensity
55.05516	45.9
57.07072	26.8
59.04996	7.2
67.05511	37.2
68.99311	72.1
69.07062	61.0
71.08634	29.4
79.05501	31.0
81.07063	81.3
83.08619	28.9
85.10197	14.4
91.05474	38.5
93.07053	63.6
95.08608	100.0
97.10184	22.5
105.07011	55.3
107.08594	78.4
109.10154	65.1
111.11758	15.8
117.07005	9.8
119.08595	45.4
121.10149	58.6
123.11713	23.9
131.08560	40.3
133.10126	46.9
135.11717	35.0
137.13289	8.5
143.08501	15.8
145.10083	49.6
147.11620	40.2
149.13193	17.3
155.07043	16.4
159.11708	33.2
161.13321	24.4
163.14830	17.7
167.07037	8.9
171.11765	13.2
173.13286	12.1
175.14761	9.0
177.09113	8.8
187.14830	9.3
189.16425	11.0
191.10690	18.0
199.14970	7.9
201.16409	11.6
203.17964	12.7
233.22676	10.7
245.22780	8.8
247.24480	10.5
273.25806	10.0
287.20166	11.2
327.30399	18.7
329.32025	41.0
340.53366	9.7
413.33997	52.0
431.18436	14.3
431.35129	65.1
432.35364	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	432.223
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	8.1
60.51434	2.4
63.88620	2.4
69.03426	4.2
69.09087	6.3
69.09505	13.1
70.06579	6.0
73.02915	5.5
81.03413	2.7
85.02906	5.6
98.23327	4.7
98.97588	18.6
103.05455	5.3
110.97619	2.8
113.77401	2.8
116.98642	6.0
117.51260	3.0
120.08115	100.0
121.08441	5.1
128.98599	2.6
131.04959	2.4
138.09123	12.1
158.99652	4.7
162.23163	2.9
166.08638	39.1
175.02809	4.7
177.00737	5.8
186.34035	2.8
206.08173	3.9
217.03813	5.2
219.01779	2.4
237.02917	3.5
246.96754	2.6
252.08536	6.0
269.04620	2.5
270.09674	6.3
271.13000	3.9
276.07568	3.9
315.28616	2.6
319.07156	14.3
337.07919	12.9
432.09897	4.5
432.14758	9.5
433.10330	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	432.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	13.9
67.05483	5.6
69.03410	5.9
69.07068	8.4
74.88843	5.0
79.05487	11.6
81.07052	30.3
83.04949	7.7
85.02898	21.2
86.18137	5.6
91.05459	11.8
93.07028	25.7
95.08605	38.7
97.02889	7.7
97.06461	8.4
105.07034	36.9
107.08589	23.8
109.10137	17.7
119.08578	36.2
121.10157	14.4
129.22360	5.7
131.08559	14.3
133.10130	36.8
143.08510	7.4
145.10121	12.0
147.11679	29.5
149.09660	13.3
157.10115	14.9
159.11693	12.7
161.09625	15.0
161.13266	8.6
163.11086	7.6
171.11658	6.4
173.13266	19.0
175.11176	13.6
175.14813	47.8
189.12762	7.7
189.16406	27.3
191.14241	7.6
199.14874	22.5
217.15862	100.0
235.16924	51.7
270.50870	5.6
287.05566	28.5
308.50375	6.1
415.77161	6.0
456.41272	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	432.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57220	0.4
57.24865	0.4
59.72057	0.4
61.63861	0.4
62.13810	0.4
67.05495	0.5
69.03438	0.5
70.06418	0.5
70.06750	1.2
73.02929	0.6
73.06544	1.3
74.82757	0.4
74.84965	0.4
81.07063	0.6
85.02901	1.1
87.04475	6.3
89.06034	100.0
90.06375	1.4
91.93258	0.4
93.07034	0.6
97.02898	0.9
105.07058	0.6
107.07066	1.8
119.10678	0.9
121.10149	0.5
124.07574	0.6
130.08684	0.5
131.07034	1.7
133.08604	57.7
134.08969	1.1
175.09608	1.0
177.11234	18.1
221.13850	4.2
239.14996	0.8
265.16464	0.7
269.12524	0.4
270.07672	0.5
271.06116	0.5
283.17371	0.8
283.80844	0.5
309.19281	0.7
327.20157	1.7
371.22754	1.8
415.25345	11.6
442.53021	0.5
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	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
53.48684	0.1
54.10637	0.1
57.03428	0.1
58.87590	0.1
65.03932	0.1
68.99793	0.8
69.03429	0.1
70.31803	0.1
70.32133	0.2
71.04997	0.4
79.05474	0.2
81.03426	0.1
85.02916	0.5
95.04932	0.1
97.02850	0.2
105.03418	0.5
107.04958	0.4
109.02880	0.3
111.00812	0.9
111.04455	0.1
113.50269	0.1
115.05416	0.1
121.02869	3.2
122.03149	0.1
127.03894	0.2
128.06161	0.1
129.05498	0.1
129.06966	0.1
133.02863	0.6
135.04465	0.1
137.02347	1.1
141.06967	0.1
145.06479	0.2
147.04393	0.7
147.08141	0.1
151.03873	0.1
153.01825	5.1
154.02155	0.1
157.06500	0.6
161.05984	0.2
165.01834	2.4
171.02974	0.1
171.04428	0.3
183.02888	1.2
185.05927	0.5
189.05463	0.1
197.05991	0.2
199.03851	0.1
199.65611	0.1
203.03481	0.1
203.07082	0.2
213.05482	1.7
214.05927	0.1
217.86275	0.1
229.04959	0.2
231.06523	0.8
241.04915	1.0
242.05690	0.1
243.06422	0.1
258.05255	1.4
259.06079	0.7
269.04422	0.2
287.05484	100.0
288.05823	5.7
299.05710	0.1
433.10733	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	433.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72827	0.2
57.03423	0.4
68.99787	0.8
69.03415	0.6
71.04997	0.4
73.02900	0.6
74.06078	0.3
79.05495	0.2
81.07007	0.2
85.02903	1.2
95.08578	0.2
97.02876	0.7
105.03412	0.4
105.07024	2.6
107.04947	0.4
109.02895	0.5
111.00798	0.7
112.48100	0.2
115.03915	0.3
121.02859	3.2
129.07022	0.2
133.02840	0.6
135.04475	0.2
137.02344	1.1
137.17117	0.2
145.06526	0.3
147.04395	0.7
147.08060	0.2
153.01823	5.2
157.06464	0.7
165.01820	2.4
169.06497	0.2
171.04413	0.5
183.02850	0.9
185.05980	0.6
203.07133	0.2
213.05446	1.6
220.92593	0.2
231.06488	0.7
241.04959	1.1
258.05234	1.5
259.05945	0.5
287.05469	100.0
288.05804	6.1
416.07230	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1129
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
53.03942	0.6
55.05500	0.5
57.03207	0.3
57.03443	3.7
66.54437	0.3
67.64556	0.2
68.99796	0.4
69.03421	0.9
71.04992	23.5
71.29996	0.4
72.05313	0.4
73.02928	0.5
75.04463	0.6
79.05498	0.3
81.03414	0.3
81.07041	0.7
81.07491	0.3
82.58174	0.3
83.04954	0.3
84.08141	1.0
85.02903	23.7
86.03252	0.4
87.04482	0.7
93.07026	0.4
97.06516	0.3
105.03394	0.5
106.20325	0.3
107.04925	0.5
107.08551	0.3
111.00794	0.8
111.04419	0.7
115.68436	0.3
117.85625	0.2
119.08595	0.3
121.02883	3.6
127.03883	0.3
128.06245	0.3
129.05481	5.1
133.02831	0.7
133.10188	0.3
137.02357	1.0
140.90996	0.3
147.04411	0.8
147.06512	0.7
153.01813	4.5
157.06506	0.6
163.03847	0.3
165.01814	2.2
171.04291	0.4
183.02914	1.0
185.05917	0.6
197.05824	0.3
213.05444	1.7
222.20892	0.3
231.06488	0.8
241.04913	1.1
258.05286	1.2
259.05884	0.5
271.79282	0.3
276.25256	0.3
287.05478	100.0
288.05829	6.2
299.05435	0.8
329.06415	1.8
353.06378	0.4
379.07968	0.6
390.73441	0.3
397.09021	0.6
433.15109	1.8
434.14270	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1131
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
53.03945	0.9
53.13313	0.4
55.05503	0.4
55.27655	0.3
57.03442	3.0
61.02924	0.5
67.05502	0.8
68.99802	0.5
69.03415	0.7
69.07045	0.4
69.49523	1.5
69.49935	0.7
70.56155	0.4
71.04996	16.0
73.02902	0.4
75.04460	0.4
78.74432	0.4
79.05488	0.9
81.03431	0.7
81.07041	0.7
82.44751	0.4
83.04958	0.5
85.02908	18.3
90.73743	0.3
91.05451	0.7
93.07024	0.6
95.04949	0.6
95.08601	0.7
97.02899	0.5
97.06506	0.9
105.03392	0.5
105.07048	0.9
107.04934	0.7
107.08622	0.6
107.34645	0.4
109.02833	0.6
109.10120	0.6
111.00836	0.7
111.04465	0.7
121.02863	3.4
121.10069	0.6
123.22141	0.4
127.03938	0.6
129.05475	2.9
129.07004	0.5
133.02840	0.7
133.10135	0.8
137.02377	0.8
146.25865	0.4
147.04416	1.1
151.11240	0.6
153.01839	4.7
165.01807	1.9
173.02322	0.6
182.15421	0.4
183.02895	1.3
185.05887	0.7
213.05484	1.7
220.69290	0.4
231.06531	0.7
236.13802	0.6
241.04973	1.3
243.14252	0.4
243.95407	0.3
258.05276	1.5
259.05890	0.6
262.59036	0.4
271.06079	0.4
287.05496	100.0
288.05859	6.3
433.14029	0.9
433.19110	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
53.13313	0.4
55.05503	0.4
55.27655	0.3
57.03442	3.0
61.02924	0.5
67.05502	0.8
68.99802	0.5
69.03415	0.7
69.07045	0.4
69.49523	1.5
69.49935	0.7
70.56155	0.4
71.04996	16.0
73.02902	0.4
75.04460	0.4
78.74432	0.4
79.05488	0.9
81.03431	0.7
81.07041	0.7
82.44751	0.4
83.04958	0.5
85.02908	18.3
90.73743	0.3
91.05451	0.7
93.07024	0.6
95.04949	0.6
95.08601	0.7
97.02899	0.5
97.06506	0.9
105.03392	0.5
105.07048	0.9
107.04934	0.7
107.08622	0.6
107.34645	0.4
109.02833	0.6
109.10120	0.6
111.00836	0.7
111.04465	0.7
121.02863	3.4
121.10069	0.6
123.22141	0.4
127.03938	0.6
129.05475	2.9
129.07004	0.5
133.02840	0.7
133.10135	0.8
137.02377	0.8
146.25865	0.4
147.04416	1.1
151.11240	0.6
153.01839	4.7
165.01807	1.9
173.02322	0.6
182.15421	0.4
183.02895	1.3
185.05887	0.7
213.05484	1.7
220.69290	0.4
231.06531	0.7
236.13802	0.6
241.04973	1.3
243.14252	0.4
243.95407	0.3
258.05276	1.5
259.05890	0.6
262.59036	0.4
271.06079	0.4
287.05496	100.0
288.05859	6.3
433.14029	0.9
433.19110	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
53.13313	0.4
55.05503	0.4
55.27655	0.3
57.03442	3.0
61.02924	0.5
67.05502	0.8
68.99802	0.5
69.03415	0.7
69.07045	0.4
69.49523	1.5
69.49935	0.7
70.56155	0.4
71.04996	16.0
73.02902	0.4
75.04460	0.4
78.74432	0.4
79.05488	0.9
81.03431	0.7
81.07041	0.7
82.44751	0.4
83.04958	0.5
85.02908	18.3
90.73743	0.3
91.05451	0.7
93.07024	0.6
95.04949	0.6
95.08601	0.7
97.02899	0.5
97.06506	0.9
105.03392	0.5
105.07048	0.9
107.04934	0.7
107.08622	0.6
107.34645	0.4
109.02833	0.6
109.10120	0.6
111.00836	0.7
111.04465	0.7
121.02863	3.4
121.10069	0.6
123.22141	0.4
127.03938	0.6
129.05475	2.9
129.07004	0.5
133.02840	0.7
133.10135	0.8
137.02377	0.8
146.25865	0.4
147.04416	1.1
151.11240	0.6
153.01839	4.7
165.01807	1.9
173.02322	0.6
182.15421	0.4
183.02895	1.3
185.05887	0.7
213.05484	1.7
220.69290	0.4
231.06531	0.7
236.13802	0.6
241.04973	1.3
243.14252	0.4
243.95407	0.3
258.05276	1.5
259.05890	0.6
262.59036	0.4
271.06079	0.4
287.05496	100.0
288.05859	6.3
433.14029	0.9
433.19110	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.4
69.03443	0.5
69.54971	2.1
70.06590	0.4
73.02894	1.0
75.04469	0.3
85.02917	1.6
91.05502	0.4
94.06576	4.0
97.02906	0.7
98.23328	0.8
115.03970	0.4
120.08105	0.7
122.09666	0.5
127.03926	0.5
145.04962	0.4
235.18118	1.2
255.13393	0.5
301.12521	3.1
336.67090	0.4
342.18307	0.4
433.16833	100.0
434.17151	8.0
453.92355	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1837
Annotation	CHEBI:67630
Peak:m/z	Relative Intensity
55.01858	1.1
55.05513	1.5
57.03412	0.9
67.05489	1.9
69.03420	2.2
69.07047	1.1
69.95353	0.7
70.89605	1.7
71.04981	1.1
79.05486	2.1
81.03424	1.4
81.07040	2.7
83.04984	1.1
84.51026	1.1
85.02895	3.8
87.00816	2.0
91.05442	1.7
93.07036	2.3
95.04952	0.9
95.08600	1.6
97.02894	2.8
97.06522	3.1
99.04468	0.9
99.75694	0.7
100.11275	0.9
104.39349	0.9
105.01855	2.8
105.07052	1.6
107.08595	1.8
109.02884	2.0
109.10179	1.0
119.08584	1.4
123.11667	0.9
127.03942	3.5
130.05003	1.9
130.06271	0.7
133.10121	1.6
135.08069	0.8
145.04938	1.8
145.10182	0.9
147.04440	2.9
147.11671	1.2
151.11177	2.6
163.03917	1.0
169.12315	0.9
173.02362	0.7
181.60211	0.8
185.04221	1.4
215.07108	1.1
222.80466	0.8
245.88727	0.8
259.09680	1.8
271.13040	82.2
272.13382	4.2
287.05499	18.6
304.19028	1.5
333.03754	0.9
356.24664	0.9
389.06567	1.4
433.18332	100.0
434.18613	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	433.2349
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
55.05513	18.5
57.03440	14.1
67.05503	66.9
69.03410	3.6
69.07058	9.4
71.04968	3.4
79.05500	36.3
81.03419	4.2
81.07059	72.5
83.08611	10.3
85.02896	3.9
85.06535	3.9
91.05467	26.7
93.07043	51.0
95.04985	4.6
95.07989	3.3
95.08598	59.0
97.06512	3.9
97.10156	4.0
98.22533	4.9
98.98464	100.0
101.14139	3.4
105.07013	24.9
107.08595	35.0
109.06528	5.7
109.10159	25.5
116.99463	3.8
117.07020	6.4
119.08548	17.7
121.10133	24.4
123.08097	4.0
123.11681	13.2
131.08598	17.4
133.10112	13.5
135.11699	19.2
137.13232	3.3
143.08517	4.0
145.10144	11.7
147.11678	12.4
149.13242	15.4
155.01028	9.0
159.11679	6.7
161.13258	9.0
161.89183	2.9
163.14793	9.0
173.02121	18.5
173.13245	8.2
175.14867	3.3
177.16296	4.5
184.93153	2.9
187.11061	2.8
201.16327	4.0
228.91270	3.0
233.19162	2.9
233.22670	4.0
243.21053	12.6
261.22113	47.0
317.24670	8.7
335.25766	79.8
336.26071	6.0
433.31424	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	433.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02666	0.3
67.05511	0.5
69.21024	1.4
69.21438	0.8
79.05500	0.7
81.07043	0.5
83.04974	0.3
83.08618	0.3
91.05508	0.6
93.07040	0.7
95.08614	0.4
95.53853	0.3
97.06538	0.7
105.07041	0.5
107.08606	0.4
117.07014	0.4
119.98335	0.3
123.08131	0.4
130.33386	0.3
131.08597	0.4
145.26413	0.3
159.03130	0.3
197.82422	0.3
212.74150	0.3
319.15125	1.2
333.16699	0.7
359.21725	0.9
433.25604	100.0
434.25943	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	433.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14502	3.1
52.42623	2.8
53.03944	4.7
55.05518	35.9
57.07067	4.3
59.05005	56.5
65.03939	3.3
67.05496	17.6
69.03416	3.9
69.07061	12.8
71.05011	3.5
75.04466	3.3
79.05483	18.7
81.07062	20.8
83.04956	5.5
83.08582	3.6
85.06546	100.0
87.18153	2.9
89.02412	2.9
91.05482	52.2
93.07047	38.6
95.04961	11.3
95.08617	23.0
97.06558	4.7
98.22649	9.1
101.05984	3.6
105.07035	45.2
107.08586	28.1
109.06521	11.6
109.10166	20.4
111.08081	15.6
113.00040	5.4
115.05501	5.7
116.06218	3.1
117.07030	18.8
119.08585	72.9
121.06482	4.9
121.10152	27.7
122.07281	7.0
123.08077	11.3
123.11732	3.3
125.09628	22.6
126.79980	2.9
128.06203	6.0
129.06975	9.6
130.07838	6.9
131.08574	28.3
133.10139	24.8
135.08046	7.4
135.11723	9.0
137.09605	25.5
141.06979	5.3
142.07808	14.0
143.08572	21.9
144.09319	6.0
145.10110	31.0
147.08084	6.2
147.11702	8.4
149.09625	11.4
151.11195	35.5
153.06918	4.1
155.08569	11.3
156.09360	9.7
157.10149	28.7
158.10817	3.2
159.11687	15.2
161.09642	5.6
161.13245	4.5
163.11218	5.3
165.12718	4.0
167.08598	6.4
168.09378	3.9
169.02640	5.6
169.10101	15.0
171.11678	22.7
173.13278	10.0
175.11186	4.1
175.14854	3.3
177.12944	3.8
179.08606	6.9
181.10069	6.6
182.10835	6.1
183.11720	12.3
185.13239	9.6
187.11237	6.3
189.12749	6.1
193.10100	8.4
194.10851	4.6
195.11703	12.9
196.12299	3.4
197.13245	8.4
203.14397	6.4
205.10216	4.0
206.10905	4.3
207.11678	5.7
209.13309	11.2
211.14806	8.3
215.14282	6.3
221.13268	9.4
223.14716	7.8
225.16339	6.8
235.14777	7.6
237.16457	5.8
261.16299	3.9
293.98099	2.9
342.25256	5.5
387.73022	3.1
401.27942	3.5
433.30771	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.4
55.05510	29.1
57.07067	5.9
59.04998	74.9
60.98631	4.5
67.05493	16.2
69.03427	6.4
69.07053	10.6
71.04978	5.4
79.05482	19.5
81.07062	26.1
83.08598	5.5
85.06544	100.0
90.97955	4.2
91.05488	36.4
93.07038	40.2
95.04974	10.9
95.08591	35.5
97.10162	5.3
98.23386	8.3
105.07028	48.2
106.43636	4.6
107.08616	28.9
109.06545	9.5
109.10145	23.6
111.08061	10.9
112.99989	11.7
113.99493	4.4
115.05379	7.3
117.07008	17.5
119.08570	78.0
121.06468	7.6
121.10166	27.0
122.07291	4.5
123.08046	7.5
123.11671	9.0
125.09628	25.1
128.06253	9.6
129.07022	6.2
131.08578	22.6
133.10167	25.4
135.08066	11.2
135.11696	12.4
137.09598	28.1
142.07771	13.9
143.08545	25.5
145.10107	38.2
147.08011	10.9
147.11656	13.3
149.13145	4.9
151.11188	28.5
155.08554	6.6
156.09360	11.2
157.10083	22.7
159.11662	15.8
163.11156	8.1
169.10106	16.4
171.11665	13.0
173.09631	6.1
173.13196	5.3
175.11267	6.7
177.12791	6.1
179.08492	7.2
181.10161	6.5
183.11646	13.0
185.13248	6.8
189.12718	7.6
194.10896	4.9
195.11684	9.9
197.13318	11.3
203.14359	5.6
207.11661	6.2
209.13281	16.8
215.14165	5.1
221.13315	5.8
223.14803	7.1
249.16324	4.9
257.18643	4.9
265.19467	5.3
343.96851	4.7
433.31439	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	434.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	2.8
53.03944	4.2
55.01870	2.6
57.03442	13.2
61.02956	2.7
69.03421	4.6
69.74823	2.2
69.75163	8.6
70.06592	4.0
71.04974	2.5
72.08158	2.9
73.02915	2.7
75.04485	4.3
79.05492	4.3
81.03408	3.3
83.04980	3.6
85.02906	19.4
88.23888	2.4
91.05485	12.4
91.56596	2.0
93.07053	6.1
96.09949	2.0
97.02884	6.5
98.18308	2.0
103.05463	36.3
105.07030	5.8
107.08562	2.5
108.04517	2.0
109.02880	5.2
109.06554	3.6
110.03678	4.9
113.96008	2.1
115.05486	2.9
117.07059	2.3
118.08356	2.1
119.04954	12.5
121.06527	7.4
123.04473	10.8
127.03900	7.8
128.03296	2.1
130.04156	3.2
131.04926	100.0
135.08063	5.3
137.05954	18.4
138.06758	9.5
143.08594	3.9
147.04404	6.0
148.05188	11.3
151.03909	3.4
151.07558	11.4
159.11702	2.2
160.05171	2.2
160.59509	2.3
161.05969	5.1
163.07532	74.3
164.07938	2.8
166.06296	17.3
171.08032	2.7
175.07530	4.0
179.06905	3.4
180.90091	2.2
181.08600	31.2
219.10168	3.2
237.11253	10.0
245.08186	4.5
255.12239	47.3
273.07553	3.9
320.09280	2.2
383.52911	2.7
409.21198	2.2
409.40057	2.2
429.38812	2.1
434.19397	3.2
435.13116	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	434.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60922	1.8
53.03931	3.0
55.01857	2.0
57.03440	27.5
59.77870	1.8
61.02929	13.4
69.03430	45.8
71.01337	2.2
72.04556	1.7
73.02917	55.4
81.03438	3.4
85.02905	100.0
87.04464	15.5
91.03980	5.3
95.01353	2.1
96.81223	2.2
97.02890	61.9
98.22554	4.2
99.04477	4.6
102.93133	2.3
105.07033	68.8
109.02888	8.6
115.03930	50.2
119.08522	4.6
127.03922	24.7
133.04970	30.7
143.08531	3.7
145.04956	48.5
147.08005	4.5
150.07628	6.7
159.08046	3.2
163.06056	26.3
189.09172	2.5
201.09183	3.6
219.10165	2.6
223.06032	4.4
241.06966	5.0
259.08188	5.9
285.13315	3.8
288.05804	2.3
295.10379	3.9
313.42795	1.9
377.85449	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
57.03159	0.8
57.03437	12.7
61.02915	2.3
65.45393	0.5
65.68035	0.5
69.03429	11.8
69.29329	3.5
71.01333	2.0
73.02916	24.0
79.05503	2.6
81.03399	1.2
85.02905	15.1
87.04475	4.0
91.05502	0.7
97.02889	23.3
103.03973	0.7
103.05470	2.2
105.07027	100.0
106.07352	2.8
107.08604	7.1
109.02903	1.4
115.03931	17.2
119.04937	0.7
119.08579	4.5
121.06447	0.6
127.03915	6.0
130.81946	0.5
131.08565	2.1
133.04962	8.0
142.07845	0.7
143.08542	3.0
145.04927	5.2
145.10112	0.9
147.08067	3.6
150.07614	2.5
155.08553	0.7
157.10124	0.9
159.08057	3.3
161.04424	0.9
162.07541	0.7
163.06053	1.4
163.07487	0.8
171.08098	1.5
173.09660	1.1
175.07639	0.6
183.08049	1.2
185.09502	0.8
189.09113	1.5
191.69659	0.6
201.09129	0.9
213.09161	0.9
219.10170	1.5
223.06052	1.2
231.10156	2.9
236.14792	0.7
241.07051	1.6
249.11237	2.4
259.08249	1.2
267.12305	1.1
283.06097	0.8
284.06396	2.0
285.07169	1.0
287.05621	1.3
288.05756	2.2
295.10220	0.9
314.07458	1.9
338.07269	0.9
416.10385	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42802	12.8
55.05517	14.6
57.03438	13.6
67.05511	23.2
69.03431	15.4
70.52049	25.2
70.52381	24.1
71.04991	43.0
79.05504	36.9
80.78827	12.1
81.03455	16.3
81.07070	62.5
83.08655	13.8
85.02895	24.7
91.05483	33.6
93.07038	44.1
95.08596	44.7
97.02893	13.4
97.06519	20.3
99.08096	20.2
105.07056	37.8
107.08601	34.4
109.10134	25.5
111.08089	17.3
119.08546	19.1
121.10152	38.7
125.09653	32.4
131.08546	18.6
133.10147	100.0
135.08067	20.0
136.04192	11.5
143.10645	33.7
145.10074	14.9
149.13257	35.7
163.03940	20.5
163.11201	50.4
167.14325	55.7
181.12228	24.0
201.16393	19.5
202.11044	12.3
204.07631	11.8
219.17480	88.6
220.88309	12.6
237.14828	55.6
237.18564	17.4
241.08649	20.4
255.15945	62.3
273.11169	17.9
287.05447	27.4
288.05753	75.1
440.05945	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	434.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	22.9
67.05511	29.4
69.03435	26.1
69.07041	14.5
70.15805	14.1
70.16169	43.9
71.04999	29.9
79.05499	45.7
81.07055	45.1
85.02910	16.8
91.05495	20.6
93.07043	26.4
97.02908	17.3
97.06517	30.6
99.08100	13.8
105.07004	71.0
107.08626	23.4
109.10170	24.3
119.08549	17.8
121.10174	13.4
123.11723	19.1
125.09675	24.2
131.08534	14.5
133.10152	92.0
143.10716	37.6
145.10152	18.7
147.11642	16.2
149.13249	17.8
151.11256	16.2
163.03928	33.4
167.14313	39.6
201.16463	20.2
215.07056	30.7
219.17439	100.0
241.08662	27.4
273.11029	18.6
287.05875	17.5
288.05814	25.2
363.04901	16.3
434.17221	17.8
435.16183	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	434.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	23.2
55.05515	22.2
57.03428	13.0
59.04999	24.5
67.05509	19.9
69.03416	47.2
69.07069	27.2
70.56046	9.8
70.56357	13.4
71.05001	19.9
79.05502	67.2
81.03419	16.6
81.07062	93.1
85.02896	16.5
85.06551	17.7
91.05486	25.0
93.07044	65.2
94.41476	9.0
95.04979	19.9
95.08590	42.5
97.02913	22.1
97.06525	49.2
105.07047	57.6
107.08605	69.2
109.10159	33.1
111.08052	19.9
114.73914	9.8
117.03399	10.8
119.08585	42.5
121.10162	38.0
123.08040	12.9
123.11728	18.1
125.09645	37.4
125.14800	10.5
127.11245	23.7
131.08543	17.0
133.10121	50.5
135.11691	67.1
143.10666	38.4
145.02864	13.8
145.10094	46.2
147.11705	16.3
149.13335	20.9
159.11705	23.7
161.13275	39.5
163.03915	56.3
163.11159	19.5
173.02411	18.5
179.14369	15.6
185.06110	14.2
191.03438	17.5
201.16342	32.3
213.09152	16.2
215.06912	45.6
219.17476	28.1
223.16960	13.5
229.08611	13.9
237.14922	13.2
237.18445	18.2
241.08598	30.0
255.15941	13.6
259.09631	23.3
273.11136	24.8
280.19489	8.6
288.05759	31.1
302.47809	12.6
335.07538	17.4
377.12305	24.7
380.38623	9.8
391.20807	17.0
403.13577	17.6
435.20401	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	434.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.0
55.05516	3.5
57.03440	2.7
61.02920	4.7
67.05499	4.9
69.03432	18.5
69.07065	3.5
69.40365	4.5
69.40756	5.4
71.04981	3.2
71.08612	2.1
73.02902	1.9
79.05491	8.9
81.03419	5.8
81.07055	23.3
85.02910	29.8
91.05473	5.8
93.07048	10.3
95.04991	3.5
95.08598	8.2
97.02895	12.0
97.06509	3.8
97.38773	2.0
99.04487	3.4
105.07028	38.6
107.08613	13.1
109.02923	2.7
109.10159	5.9
111.08076	4.6
115.05398	2.3
117.06171	1.9
117.07009	2.9
119.08550	18.1
121.10121	5.4
123.11708	3.6
127.03938	6.2
131.08575	17.7
133.10143	9.7
138.00992	1.9
143.08553	4.1
144.09322	3.6
145.04956	7.7
145.10120	43.7
147.04387	4.1
147.11711	5.3
157.10153	6.9
159.11690	63.5
161.13254	59.2
162.13620	4.8
163.03932	3.6
163.11171	7.3
163.14784	6.7
173.13257	11.6
189.09087	4.6
199.14767	2.5
201.16377	63.4
201.18184	3.7
202.16733	4.3
203.17950	14.1
216.03088	2.0
219.17447	100.0
220.17809	7.1
237.18510	2.9
241.12546	7.7
273.07709	2.0
273.10779	2.0
287.05399	2.7
288.05838	3.9
381.22687	33.8
382.23004	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	435.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79235	0.7
56.05017	0.7
56.96563	14.7
65.26583	0.6
69.03429	2.8
69.22965	4.4
70.03807	0.6
70.52306	0.6
71.95258	1.7
72.08144	1.8
80.05014	0.9
81.03407	2.0
82.06565	3.6
83.05009	1.2
84.08141	7.3
84.96032	2.6
85.02925	3.6
86.06085	1.0
87.04485	0.9
96.04449	0.7
97.02904	3.9
98.97589	100.0
99.97942	1.0
101.00874	1.7
102.97015	1.2
110.97577	13.9
112.99153	1.5
113.00838	0.8
115.00625	0.7
116.98631	38.6
119.01952	2.5
121.01664	0.7
124.07613	0.7
124.99088	1.2
125.10712	0.6
126.09239	0.9
127.00690	0.9
127.02409	1.1
127.03921	0.8
128.07115	0.7
128.98618	11.9
129.00133	0.6
131.00175	1.1
131.01933	2.4
132.98012	0.6
133.01669	1.2
134.09636	1.3
134.99664	8.4
136.07640	0.5
136.99106	13.5
137.00070	1.2
137.99451	0.7
138.85605	0.7
140.00183	1.7
140.98570	0.7
143.00171	2.3
143.01933	2.5
144.98154	0.7
145.01686	0.7
145.03497	2.1
145.04872	0.6
146.99658	3.1
149.01149	0.8
150.09180	1.0
152.98604	0.9
155.00168	46.0
156.00548	0.8
156.98100	10.8
157.01733	2.6
157.03574	1.5
158.01366	1.1
158.99663	15.9
159.01088	0.9
161.01248	2.0
161.02982	2.8
162.09181	0.9
163.02666	0.7
165.10136	0.6
170.99681	2.1
171.05025	0.9
173.01253	30.3
173.02943	3.1
173.04410	0.9
174.01610	1.1
174.99164	46.0
175.02779	1.2
177.00722	13.2
177.10246	5.6
181.03535	1.4
187.02795	0.8
189.00714	1.8
189.02414	0.8
191.02251	2.6
193.00221	37.7
194.00716	1.0
194.08165	1.5
196.01476	0.9
197.01236	51.8
198.01602	1.5
199.02786	3.3
199.04483	1.4
201.00684	1.2
203.04062	1.8
205.02039	1.5
205.09798	0.8
211.01262	1.7
214.95438	1.0
215.02298	29.6
216.02397	1.0
217.00218	49.3
217.03716	1.3
219.01762	10.3
219.11333	1.2
221.05125	2.1
223.10762	8.4
227.02107	1.1
233.03296	2.1
235.01265	25.1
237.02841	10.9
237.12375	3.5
238.03841	0.7
241.05847	0.9
241.11902	6.1
255.13428	1.6
257.03299	13.0
258.02884	1.1
259.06903	0.9
267.86182	0.6
273.14499	1.0
277.02295	29.4
278.02591	0.9
281.05917	0.8
285.04501	0.9
287.04318	1.0
288.56232	0.9
295.03384	1.2
296.04956	1.9
301.07870	1.6
305.05301	0.7
315.04547	1.1
316.06522	0.7
317.05432	13.6
319.03439	0.8
333.07034	4.2
335.06448	6.5
336.88675	0.7
337.04391	14.4
338.05087	0.6
375.07550	1.4
435.08133	1.5
435.13843	1.8
435.19992	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	435.1264
Annotation	3',5'-Dihydroxy-3,5,6,7,8,4'-hexamethoxyflavone
Peak:m/z	Relative Intensity
60.09856	1.7
69.71689	8.2
75.25282	1.5
75.70776	1.7
80.05007	1.8
85.02916	2.4
98.97578	5.0
107.04951	2.2
110.97588	2.2
116.98624	2.2
126.09093	1.6
128.98633	2.5
177.75499	2.1
189.00754	2.3
193.89400	2.0
210.07649	4.4
219.01805	2.0
291.04102	2.0
403.06519	6.0
403.11615	2.7
435.12738	100.0
436.13242	5.5
436.94363	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05530	5.4
57.03445	12.1
57.06216	4.9
67.05510	8.5
69.03451	18.0
69.07084	10.6
69.35540	32.4
71.05013	13.8
72.55077	5.4
73.02928	5.7
76.56718	5.0
79.05497	10.8
81.03436	10.7
81.07043	24.5
83.04987	9.6
83.77401	6.3
85.02891	31.5
87.07378	4.8
89.46457	6.8
91.05520	21.1
92.11575	4.9
93.07053	12.9
95.05005	10.9
95.08637	15.8
97.02917	22.2
97.06570	13.7
105.07021	36.5
107.08640	16.2
109.10175	12.3
117.07008	6.6
119.08601	13.8
121.02845	4.6
121.10182	9.6
123.08112	10.5
123.11713	8.2
125.09634	13.6
127.04002	6.0
127.11283	10.4
131.04938	6.5
131.08627	10.3
133.10132	100.0
133.11067	7.4
135.11775	7.7
137.09691	6.7
143.10666	9.0
145.10164	10.6
147.04433	9.4
147.11742	9.0
159.11697	12.2
163.03931	11.0
189.05521	10.1
198.09146	7.7
201.16479	22.1
215.07008	5.3
219.17532	20.6
237.18558	21.2
241.08652	11.4
245.08104	6.2
248.67090	5.5
256.09723	15.3
273.07660	19.0
287.05719	9.4
288.05795	12.1
289.06140	20.8
393.55713	6.1
435.16238	86.4
447.44620	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2719
Annotation	Phe Leu Arg
Peak:m/z	Relative Intensity
53.31706	1.0
55.01867	0.9
55.05515	2.2
57.03425	1.3
57.07061	1.2
57.16405	0.8
67.05509	9.0
69.07069	2.5
70.06595	1.4
74.49410	0.9
77.60188	1.1
79.05500	5.1
81.03416	1.8
81.07063	6.9
83.04966	1.3
83.08627	2.2
91.05468	4.8
93.07037	4.7
95.04990	2.4
95.08619	3.3
97.06525	3.1
105.07001	2.0
107.04965	1.3
107.08582	3.0
109.06532	4.0
109.10160	3.1
110.12273	1.0
111.08123	1.2
119.08612	2.6
121.10107	2.2
123.08064	1.0
131.08574	1.6
133.10135	2.2
135.08041	1.2
135.11693	1.1
139.87373	1.1
143.08621	2.0
145.10098	2.5
147.04428	2.0
147.11684	1.4
151.11140	0.9
157.10205	1.8
159.11627	1.2
167.08841	0.9
171.11647	1.0
173.11621	1.2
191.07076	3.4
207.13771	1.2
214.09866	0.9
329.32449	1.0
356.20111	1.0
434.38171	1.4
435.27228	100.0
435.38748	5.1
436.27542	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	435.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17564	6.5
52.32881	7.6
55.05506	28.7
57.04461	7.5
57.07077	52.7
63.63663	8.3
67.05499	11.9
69.07066	71.1
71.08632	51.4
79.05511	7.8
81.07065	39.7
83.08624	34.5
85.10167	22.5
91.05505	13.0
93.07057	14.6
95.08617	39.9
97.10155	17.7
107.08603	11.0
108.14042	8.2
109.06531	19.2
109.10170	25.8
111.11752	8.5
113.00025	9.4
119.08521	17.9
121.10155	9.2
125.06001	62.2
125.13309	8.4
131.08577	14.9
133.10146	17.9
135.08075	10.2
139.07527	7.5
141.05501	10.7
147.11664	14.1
151.07574	13.6
153.05450	100.0
153.09123	10.1
153.55591	7.9
161.13336	8.8
163.11197	10.5
165.09169	10.5
165.12794	9.3
169.02617	11.5
175.11378	8.0
175.14786	9.2
177.09027	10.9
177.12761	11.4
179.10730	12.7
207.13719	10.7
209.11847	8.8
233.18767	8.1
235.13229	11.1
295.18964	10.4
305.21484	8.0
309.20728	10.7
374.87878	8.6
375.32431	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	436.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67657	0.6
69.57478	4.2
69.57838	0.8
89.55380	0.7
90.45367	0.6
103.96815	0.7
124.65777	0.8
127.64884	0.7
136.34065	0.7
145.17293	0.8
154.02516	0.8
212.05873	2.8
212.11578	0.7
319.47400	0.8
333.09515	12.0
334.09888	1.1
349.08963	100.0
350.09308	4.1
377.08463	35.5
378.08618	1.5
436.10880	11.7
436.15814	61.2
437.11374	1.2
437.16025	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	436.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
54.23070	0.4
56.96545	0.5
57.03430	2.0
69.03428	5.9
71.27551	0.6
73.02892	0.7
77.03878	0.5
79.05492	0.6
81.03407	0.5
85.02913	4.5
87.04465	3.8
93.09697	0.4
97.02893	5.7
98.97586	1.5
105.04480	0.5
107.04955	100.0
108.05295	2.4
115.03935	6.3
115.54652	0.4
116.98618	0.7
133.04964	4.9
140.06816	0.4
140.79912	0.5
145.04991	0.5
150.07605	1.7
163.80679	0.5
196.05939	0.5
208.47139	0.5
211.81398	0.4
237.02850	0.9
436.13257	0.7
436.20706	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.05498	1.7
59.04984	1.4
59.28090	0.9
64.82522	1.0
69.03416	1.6
69.07050	2.0
70.21368	2.9
70.60938	1.4
71.04988	11.0
73.06545	3.3
74.60286	0.9
79.05487	4.3
81.03412	1.5
81.07049	17.0
82.01601	1.0
85.02892	3.4
87.00817	2.4
91.05493	2.3
93.07034	11.8
95.08604	2.3
96.55231	0.9
97.02875	2.2
97.06534	1.9
105.01859	4.1
105.07008	1.3
106.61985	1.2
107.08603	7.7
109.02893	1.2
109.10160	1.7
127.03921	3.0
135.11697	19.1
145.04991	1.2
153.12740	100.0
154.13058	4.5
169.08919	1.0
222.85353	1.0
266.19357	1.1
436.19675	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	436.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42003	11.5
60.98497	10.3
61.02918	8.6
61.17312	11.1
69.03438	47.4
69.07048	10.5
71.04996	33.6
73.02961	9.9
81.03433	28.8
81.07072	24.1
85.02915	100.0
87.00838	61.2
91.05473	11.6
93.07069	32.8
97.02885	56.7
98.23357	25.8
105.01874	70.6
105.07046	22.6
107.08604	39.1
109.02892	27.3
109.06528	18.7
109.10221	11.8
119.08611	19.5
127.03919	49.2
133.06470	10.3
135.11702	37.7
145.04968	22.4
147.04480	15.1
153.12756	95.5
158.23090	10.9
165.12798	14.1
173.09691	10.2
177.12668	20.3
182.03947	9.6
185.08624	9.4
279.21909	10.7
299.20520	12.4
315.46332	10.0
322.72440	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	436.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	11.7
54.49540	6.5
55.01863	5.7
55.05513	24.3
57.03438	12.8
58.39770	6.8
67.05499	16.3
69.03428	44.2
69.07072	10.7
71.04971	10.2
71.29873	7.7
75.78806	5.4
79.05488	24.6
81.03417	40.0
81.07065	73.9
83.04973	9.5
83.08606	15.1
85.02905	62.5
85.06587	7.6
87.00835	28.0
91.05468	37.3
93.07045	56.8
95.08614	15.0
97.02884	47.4
97.06537	16.6
98.98473	7.0
99.04466	10.9
101.28696	6.2
103.63717	6.1
105.01868	37.2
105.07018	13.4
107.08582	51.2
109.02888	20.2
109.06548	7.1
109.10137	11.8
111.04451	6.5
113.05981	8.9
115.03911	8.7
119.04950	34.0
119.08579	13.8
127.03922	44.2
131.08586	8.7
135.11685	40.2
136.06204	7.5
137.13245	17.3
145.04950	19.8
147.04413	100.0
174.08109	5.7
231.04964	13.5
249.06128	8.6
275.09091	19.0
275.12521	23.4
437.13571	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	436.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
55.05514	3.0
57.03424	1.2
57.07066	1.7
67.02016	1.1
67.05509	8.5
69.07068	97.6
69.29894	7.0
70.06590	1.9
70.07389	2.6
77.02405	39.6
79.05492	5.6
80.05805	1.1
81.03417	1.5
81.07066	4.1
83.04971	2.1
83.08631	2.0
87.08105	100.0
88.07652	2.3
88.08454	1.6
91.05474	4.1
91.24355	1.0
93.07037	5.0
95.08601	1.6
96.91342	1.1
97.06534	9.9
97.10271	1.0
101.82275	1.0
102.09194	1.7
105.07009	1.1
105.09144	1.3
107.08588	3.0
109.06554	2.1
109.10172	4.2
115.07555	3.1
119.08597	1.7
123.08092	1.6
128.10681	1.7
135.11678	3.3
136.12021	1.7
137.52431	1.1
143.08571	1.0
145.08598	57.9
163.03914	6.8
163.09656	58.9
164.09947	1.6
173.08102	2.0
173.15387	23.5
183.13739	1.8
191.09117	21.5
191.10742	1.5
203.52512	1.4
207.06566	8.5
229.14310	6.0
256.26367	3.7
259.15414	15.3
300.28903	1.2
436.30002	4.1
437.19510	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13408	0.6
55.05508	1.2
57.07029	0.5
67.05500	3.4
69.07069	100.0
69.09405	5.2
70.06580	0.8
70.07403	2.1
71.04994	0.7
76.88089	0.6
77.02406	40.4
79.05508	0.8
81.07053	1.3
87.08110	14.7
88.07607	1.5
91.05499	0.8
93.07036	1.5
95.04987	0.8
97.06546	2.8
102.09185	1.2
105.07026	1.0
105.09151	1.0
109.06544	1.2
109.10179	1.3
109.81691	0.8
116.01694	0.6
119.08567	1.2
128.10725	0.8
131.08472	0.7
133.96516	0.6
145.08603	34.5
146.08910	1.6
163.03928	3.0
163.09659	41.1
164.10007	0.7
167.60139	0.6
173.15385	12.3
178.84213	0.7
182.33073	0.7
191.07339	1.4
191.09132	17.4
191.10721	1.2
192.09624	0.7
207.06535	3.9
229.14377	3.6
231.15872	1.1
239.37639	0.6
256.26456	2.7
259.15347	10.4
305.16119	1.2
326.72192	0.7
436.30795	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	437.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.8
55.01869	1.1
55.05502	1.6
59.05006	1.0
65.03935	3.1
67.05506	3.5
68.99785	1.1
69.03429	12.8
69.77086	0.7
71.01360	0.9
71.05000	1.6
71.09695	1.5
73.02906	0.7
79.05493	13.3
81.03418	6.2
81.07066	3.2
83.04961	0.7
85.02907	17.9
87.00831	4.9
91.05480	28.5
93.07043	20.5
95.04961	5.1
95.08602	8.9
97.02894	6.6
97.06528	14.0
97.85718	0.7
99.04461	2.5
103.05478	1.1
105.01871	1.8
105.07030	17.2
107.04991	1.5
107.08591	97.3
108.08910	2.4
109.02882	8.6
109.06516	8.2
111.08068	1.9
114.43128	0.6
115.05399	1.2
116.06226	3.8
117.07018	2.0
119.04968	0.9
119.06074	2.6
119.08583	8.4
121.06516	6.0
121.10122	11.7
121.10902	0.9
123.08059	1.9
123.11707	3.2
125.06056	1.0
127.03919	12.7
127.07549	2.5
128.04247	0.6
128.06140	0.8
129.07021	3.7
131.08565	100.0
132.08908	2.9
133.03685	0.6
133.10162	1.3
135.08003	1.2
136.61992	0.6
137.05914	0.7
137.09616	6.4
143.08571	1.7
145.04907	0.9
145.10092	3.6
147.04382	2.6
147.08015	2.3
147.11682	18.7
149.06062	0.6
149.09612	21.1
151.06367	0.6
151.07574	0.9
156.09315	2.3
159.08063	2.0
159.11673	1.5
161.09660	2.0
161.13219	1.1
163.03851	1.1
163.11151	0.7
165.12729	2.9
171.11720	3.9
173.09608	0.8
177.05623	0.8
177.12790	0.7
189.12741	34.4
190.13075	1.3
195.03088	0.7
207.13788	9.5
213.03937	4.5
231.04947	2.1
256.69583	0.7
437.18277	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.7
53.03949	4.6
55.01884	1.4
55.05508	2.3
57.03441	1.0
59.04995	1.1
65.03943	2.1
67.05505	3.6
68.99799	1.1
69.03433	14.1
70.38269	1.2
70.38615	0.7
71.05000	1.8
79.05501	10.7
81.03425	6.2
81.07066	2.3
83.04993	1.2
85.02912	20.3
85.03435	1.0
87.00829	6.0
91.05485	30.3
92.06290	0.8
93.07047	20.7
95.04973	4.2
95.08609	9.4
97.02893	7.9
97.06538	16.3
99.04453	2.3
101.06004	0.8
103.05480	0.7
105.01883	1.7
105.04533	0.8
105.07035	18.6
106.07350	1.0
107.04977	1.5
107.08598	97.9
108.08941	2.6
109.02885	10.5
109.06509	6.1
111.04449	1.2
111.08073	2.1
115.05473	2.4
116.06261	3.7
117.07047	2.4
119.04974	1.5
119.06078	1.8
119.08584	10.4
120.08879	0.7
121.06514	7.1
121.10147	11.6
123.04421	0.9
123.08034	1.7
123.11681	3.3
125.05988	1.1
127.03920	11.6
127.07556	3.2
128.06219	1.2
129.07028	2.5
130.07779	0.8
131.08569	100.0
132.08881	3.2
133.06509	0.9
133.10127	1.1
135.08067	1.1
137.05986	0.7
137.09624	6.9
139.11092	0.7
143.08585	1.8
145.04953	1.1
145.06543	1.1
145.10143	5.0
147.04445	3.5
147.08063	3.4
147.10500	0.9
147.11685	18.0
149.09619	21.2
150.09885	1.1
151.07581	1.6
155.08630	1.0
156.09355	2.4
159.08083	1.7
159.11674	1.2
161.09666	1.6
161.13251	0.9
163.03899	1.2
163.07518	0.7
163.11168	0.7
165.12746	2.2
167.07124	0.7
169.10167	0.9
171.11655	3.3
173.09509	0.9
175.09921	0.6
178.58907	0.6
187.07596	1.0
189.09143	1.0
189.12749	32.0
190.08609	0.8
190.13153	1.3
195.02844	0.9
201.09116	0.7
207.13789	10.2
213.03949	3.9
215.07140	1.1
231.05016	1.6
275.09265	0.9
275.12524	2.0
315.15741	0.8
353.15530	0.8
377.51642	0.7
419.17767	0.5
437.18146	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	30.7
55.05508	4.1
57.07080	28.4
67.05502	12.8
69.07069	7.3
71.08632	19.2
79.05493	12.9
81.07048	14.3
83.08605	7.4
85.10180	10.0
89.06021	4.5
89.89154	1.0
91.05489	1.3
93.07048	1.2
95.08600	15.5
97.06529	100.0
97.10153	3.1
98.06857	2.0
99.76472	0.9
106.44046	0.9
109.10171	7.4
111.11700	2.1
112.70108	1.1
123.11703	4.2
125.05981	31.4
131.08630	1.0
133.08565	2.6
229.27170	1.0
239.14915	2.2
239.23647	5.4
281.65472	1.0
367.28406	44.6
368.28763	3.1
375.71881	1.0
437.32620	35.4
438.33060	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	438.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	85.6
61.02913	7.4
67.05522	10.4
69.03429	22.2
69.73979	7.2
71.04984	10.0
71.28876	12.6
79.05472	12.7
80.32122	7.7
81.03407	11.4
81.07055	10.6
81.31541	9.0
83.04987	63.2
85.02896	35.0
85.06573	8.7
86.99024	10.3
87.04489	38.5
91.05461	18.3
93.07050	16.7
95.08620	13.8
97.02903	11.5
97.06511	9.4
99.04448	10.1
105.07011	8.2
107.08611	28.0
109.02866	11.3
109.06514	12.7
109.10167	23.3
111.08091	15.5
115.03947	10.2
119.08562	15.7
121.10162	20.9
123.08055	21.1
127.03892	12.5
129.06973	9.1
135.11691	20.8
137.09589	24.1
141.09114	12.8
144.04781	29.6
145.10176	8.2
147.04425	32.7
149.09622	100.0
159.11723	9.9
163.11189	12.5
177.12744	16.6
180.30580	8.3
181.12343	8.7
187.50397	9.1
205.12280	31.5
223.13342	57.5
229.04837	9.9
241.14340	96.2
291.28979	7.5
306.10013	13.3
439.15613	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.4
53.03940	2.6
55.01880	6.7
55.05517	6.8
57.03439	5.5
57.07072	2.7
61.02925	1.7
65.03934	1.6
65.70264	1.1
67.05514	5.8
67.31023	1.0
68.99786	2.6
69.03434	24.5
69.07071	13.7
70.06580	1.2
70.61851	2.4
71.04997	4.2
75.14902	1.1
79.05492	10.8
81.03419	13.2
81.07065	14.8
83.04990	8.7
83.08616	4.2
85.02922	14.5
85.06533	4.1
87.00836	3.5
91.05485	11.3
93.07056	14.5
95.04971	12.0
95.08604	10.4
96.04428	1.4
97.02901	23.1
97.06538	16.9
98.06053	1.4
99.04469	6.8
99.08090	4.9
101.06033	1.4
103.05482	2.3
105.07040	11.7
107.04948	4.2
107.08603	16.6
109.02893	10.5
109.06522	13.5
109.10172	8.8
111.04467	5.4
111.08084	12.0
115.03961	2.4
115.05433	2.0
115.07592	5.4
117.07015	4.4
119.04945	3.2
119.08593	11.7
121.06489	6.8
121.10154	19.3
123.04453	1.4
123.08065	7.3
123.11723	4.9
125.05984	3.4
125.09589	5.8
127.03914	9.9
127.07571	11.7
128.06238	1.3
128.58145	1.0
129.05551	1.7
129.07024	3.2
131.04913	1.8
131.08583	6.1
133.06531	2.2
133.10141	8.2
135.04463	2.5
135.08047	6.7
135.11688	4.5
137.06003	3.7
137.09622	3.3
139.07558	3.9
139.11188	100.0
140.11577	3.8
143.08597	2.0
145.02892	1.4
145.04976	1.4
145.06473	3.5
145.10159	3.9
147.04460	3.8
147.08086	6.5
147.11711	3.7
149.05991	4.9
149.09663	3.2
149.13295	6.3
151.07526	4.1
153.09120	4.4
153.12781	1.4
157.06520	1.5
157.10112	1.4
159.02910	2.2
159.08073	3.2
159.11722	3.7
161.05986	3.7
161.09662	4.3
161.13260	1.6
163.03900	10.0
163.07553	2.9
163.11177	6.6
163.14847	4.2
165.09131	3.5
165.12749	1.3
167.07091	2.0
171.02896	1.7
171.08170	1.4
171.10107	2.6
173.02319	1.8
173.06050	2.7
173.09656	2.2
173.13252	6.5
175.07539	2.0
175.11261	2.0
175.14853	4.5
177.09174	1.4
179.07040	1.5
181.08627	1.2
181.12242	24.7
185.13275	1.6
187.07518	3.7
189.12860	4.2
191.07024	3.7
191.10631	1.3
191.14325	12.6
195.08101	1.7
197.06038	1.9
199.13336	5.9
201.09155	2.1
203.07126	2.6
207.13757	2.7
209.15331	2.4
213.09026	1.7
215.07101	5.9
215.10722	1.7
217.08696	2.0
223.13336	7.1
231.10255	1.5
233.08147	1.6
241.14355	40.2
242.14690	1.7
257.15439	2.7
259.09677	6.8
261.11154	2.5
275.16394	2.4
277.07834	1.9
277.10730	10.0
299.16351	1.5
317.17413	2.8
335.18567	3.6
403.17508	1.7
404.64529	1.3
421.18573	5.3
438.25525	4.7
439.19678	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	438.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.01865	3.9
57.03427	2.8
61.02911	1.8
64.03539	1.4
65.08384	1.5
67.05502	2.0
69.03428	13.0
69.07072	8.8
71.08236	2.9
71.08631	51.6
73.02930	1.7
79.05503	3.2
81.03413	7.4
81.50491	1.2
82.61668	1.3
83.25390	1.2
85.02902	18.9
85.15525	1.2
87.00823	7.4
89.03913	1.5
97.02905	14.1
97.06538	28.1
99.04453	3.9
99.08095	100.0
100.08430	1.9
105.01858	5.6
109.02863	4.9
117.03368	1.8
127.03905	9.0
129.12753	10.4
133.02821	1.9
135.04417	3.4
145.02879	3.6
145.04939	5.2
155.14348	2.1
159.02856	2.3
159.04364	1.5
161.02332	7.0
163.03905	22.4
173.02336	20.0
173.15378	51.6
174.15724	2.9
191.03380	4.0
215.07022	24.0
233.08192	2.5
259.09656	42.0
277.10712	12.6
312.65475	1.4
390.45480	1.5
403.13898	1.9
421.14700	2.1
439.16080	13.1
464.97855	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	7.4
55.05493	14.7
55.74246	5.3
67.05513	27.4
67.45442	6.1
69.03421	6.7
69.07078	6.9
71.04984	8.7
71.29647	9.1
76.63357	5.0
79.05502	20.9
81.03410	9.5
81.07054	21.3
83.08611	11.4
91.05478	18.9
93.07059	13.6
95.04997	11.5
95.08591	17.4
97.10150	9.0
105.07030	18.3
107.04974	6.8
107.08596	11.4
109.10162	19.4
110.10455	7.0
111.08128	6.7
117.06956	6.7
119.08591	6.6
125.09619	9.7
133.10172	9.4
135.07973	7.7
140.98589	5.9
145.10074	9.6
149.02344	71.6
149.03474	9.1
163.11221	7.3
173.13124	6.2
189.11258	6.7
193.04956	100.0
215.14351	9.6
383.62906	6.1
438.12952	7.0
438.28748	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	438.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	4.3
57.07076	71.7
69.06719	1.5
69.07068	7.5
71.08631	69.0
71.63494	1.4
73.06571	2.3
79.49832	1.3
81.07057	2.4
83.08621	4.2
85.10182	38.5
87.04472	2.5
88.51746	1.3
89.06029	100.0
93.07065	1.8
95.08610	1.6
95.95679	1.4
99.11737	7.9
107.07096	2.6
111.11761	1.8
113.13275	6.1
127.14857	3.0
128.34712	1.6
133.08595	67.3
134.67708	1.3
151.09680	4.7
177.11214	13.3
195.12207	5.3
206.44041	1.4
221.13884	1.7
227.23888	1.5
231.69273	1.4
239.14879	42.7
240.15294	1.7
268.54407	1.7
271.26196	2.0
315.28879	2.0
377.32758	2.6
421.35211	35.7
422.35724	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	439.1428
Annotation	Shogasulfonic acid A
Peak:m/z	Relative Intensity
63.12904	0.3
67.21654	0.3
69.76191	1.1
96.92229	24.1
106.82183	0.3
112.89594	5.9
114.89323	1.7
115.30328	0.3
116.89132	0.6
133.03467	0.4
156.93156	0.4
174.94118	1.2
180.97502	3.6
185.04225	1.5
186.94193	0.5
192.96030	0.3
192.97479	1.5
196.67856	0.3
198.98753	0.3
203.05273	3.4
204.95204	0.6
210.98615	0.6
212.85199	0.4
216.95168	1.4
222.98579	0.7
234.96233	0.6
240.99725	0.9
246.96245	0.5
276.97232	1.1
277.08939	27.5
278.09375	1.6
295.08792	0.6
347.09375	0.4
352.09491	0.4
365.10535	10.9
366.11044	0.5
381.07999	4.1
439.14203	100.0
440.14529	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1578
Annotation	BRUCEOLIDE
Peak:m/z	Relative Intensity
55.05515	0.5
57.03428	0.4
58.06972	0.5
69.03427	3.8
70.01658	1.5
73.10532	0.5
81.03412	1.9
81.07043	0.5
83.01092	0.9
83.04972	2.6
85.02890	0.7
91.05477	1.5
95.01099	2.2
95.04920	0.6
96.01888	0.6
97.02891	3.1
98.95015	0.4
99.04426	1.4
107.04933	0.5
112.01354	0.6
113.02125	2.4
115.07620	0.6
119.04916	2.1
123.04426	3.0
127.03918	0.6
130.86545	0.5
135.04407	0.7
137.02205	0.4
141.06902	0.5
146.06013	0.6
147.04404	16.1
157.04666	0.7
157.06514	1.1
163.03943	4.0
165.05495	1.0
167.03194	0.6
167.67317	0.4
169.06485	0.7
185.04231	3.6
185.05838	0.8
187.03860	1.2
201.03697	1.1
201.05423	0.7
202.05945	3.6
213.05414	0.5
215.07062	1.1
243.08508	0.7
259.07916	1.0
277.07095	1.4
277.10599	1.2
309.09723	1.6
439.15735	100.0
440.16110	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	439.1598
Annotation	Cichorioside J
Peak:m/z	Relative Intensity
53.03943	2.0
55.01873	3.2
55.05516	1.9
57.03431	5.2
59.35632	1.0
67.05503	3.5
69.03432	17.3
69.06403	2.2
69.07095	18.0
71.01348	1.9
71.04984	1.2
79.05515	10.6
81.03410	6.8
83.04972	2.3
85.02909	8.1
88.80087	1.1
89.03921	7.8
95.04990	1.3
97.02896	27.6
97.06535	100.0
98.06848	2.0
98.22507	2.2
99.04455	2.8
101.02386	2.7
107.04967	2.0
109.02907	2.1
111.04429	1.9
117.03387	7.5
123.89949	1.3
127.03975	2.7
133.02853	3.9
135.04417	13.3
139.03911	3.0
145.02843	10.6
147.04395	2.0
159.04424	8.5
161.02348	30.5
163.03908	72.8
164.04248	3.1
171.04459	1.1
173.02348	48.0
174.02754	2.0
185.06010	1.4
186.03172	1.4
187.03719	1.3
187.07597	2.3
189.05502	1.5
191.03394	9.8
197.05986	1.8
205.08655	1.5
209.54524	1.4
215.07033	73.3
216.07397	3.8
231.10152	1.5
233.08075	4.3
235.09627	3.3
243.04759	2.3
259.09674	83.2
260.10028	3.8
277.10724	60.0
278.11096	3.6
287.03738	16.6
289.05219	1.8
318.93433	1.2
379.13797	1.3
395.16724	5.4
403.13605	2.2
421.14926	8.2
439.15811	50.5
439.22937	6.0
440.16293	4.4
453.02765	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	17.7
55.01883	20.1
55.05511	30.4
57.03428	15.0
57.07075	10.6
61.02924	5.6
64.59785	4.7
65.03922	7.2
67.05513	35.0
68.99789	13.0
69.03428	53.2
69.07074	21.5
69.11079	4.0
69.68401	19.5
71.01348	5.5
71.04987	13.8
73.02920	4.4
79.05500	36.0
81.03421	49.7
81.07064	55.7
83.04984	25.6
83.08620	22.9
85.02910	43.2
85.06540	9.3
87.00813	24.4
91.05479	44.2
93.07050	49.9
95.04971	54.3
95.08612	35.1
97.02897	100.0
97.06534	61.0
99.04456	17.4
103.05471	4.3
105.01863	7.6
105.04515	4.4
105.07030	56.0
107.04951	19.2
107.08597	69.4
109.02869	46.6
109.06512	67.1
109.10156	42.5
111.04459	34.0
111.08087	47.0
115.03926	8.6
115.05472	7.0
117.07010	19.7
119.04957	10.7
119.08602	51.0
121.06497	30.8
121.10147	44.0
123.04452	11.6
123.08063	39.8
123.11691	18.6
125.06008	12.5
125.09650	24.8
127.03908	48.6
128.06187	4.6
129.01857	9.4
129.06981	7.2
131.04893	5.0
131.08559	19.0
133.06490	11.8
133.10138	31.3
135.04408	9.8
135.08044	32.1
135.11652	12.0
137.05989	24.2
137.09669	11.6
139.07512	5.8
141.07022	4.0
141.10403	4.3
143.08554	13.5
145.04962	4.4
145.06491	18.7
145.10109	18.9
147.04445	22.9
147.08066	33.9
147.11688	20.7
149.05951	21.3
149.09587	15.5
149.13252	27.4
151.03928	7.6
151.07527	21.5
151.11252	9.1
153.09061	29.1
153.28371	4.6
158.10922	6.2
159.02863	7.2
159.08051	8.3
159.11722	12.7
161.05946	15.8
161.09593	13.9
161.13284	12.6
163.03922	31.1
163.07617	11.0
163.11165	14.7
163.14835	14.6
165.09088	14.2
165.12749	7.2
167.07036	11.2
167.10718	4.7
167.14255	5.6
169.06483	7.6
169.10170	6.5
171.08002	9.0
171.10204	12.6
171.11713	11.9
173.02354	10.4
173.05992	11.2
173.09641	15.7
173.13231	29.5
175.07553	9.9
175.14827	16.0
179.07010	8.3
183.69804	5.0
185.13231	6.4
187.07574	12.1
189.09126	12.0
189.12778	17.0
191.06996	22.9
191.10767	7.9
191.14285	56.6
192.14650	7.4
195.10017	5.4
197.05991	6.2
201.09259	6.2
203.06964	7.7
203.14299	9.4
207.13829	16.4
209.15366	17.6
213.03882	9.9
213.09119	9.1
215.06929	24.0
215.14262	8.0
217.08640	7.5
225.14888	10.2
231.10115	7.6
231.13760	5.6
233.15277	7.7
235.09627	12.3
239.14211	4.9
243.13870	5.7
253.07018	5.9
257.15411	11.6
259.09692	33.7
261.11237	8.6
261.15045	6.8
275.16495	13.6
277.10797	40.7
278.11136	5.0
281.15411	4.8
299.16333	10.8
317.17532	11.1
335.18573	12.5
353.19742	5.0
395.20630	5.8
403.17618	5.2
421.19128	20.7
439.20535	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80360	1.3
53.03946	4.2
55.01870	3.9
55.05501	1.6
57.03432	4.5
61.02937	1.9
64.45104	1.1
67.05511	3.7
67.80402	1.1
68.99782	1.9
69.03432	42.7
69.07072	14.1
70.06590	1.5
70.56822	1.2
70.81801	2.3
71.04997	3.6
74.26894	1.2
76.45856	1.4
79.05501	4.3
81.03423	24.1
81.07053	6.6
83.04987	4.4
83.08646	1.6
85.02906	19.7
85.06557	2.4
87.00835	7.3
91.05481	5.5
93.07043	4.3
95.08626	6.4
97.02898	14.8
97.06550	6.9
99.04477	5.3
105.01892	3.1
105.07028	7.1
105.45783	1.2
107.04969	1.6
107.08592	13.4
109.02879	20.0
109.06532	3.5
109.10172	1.9
111.08098	3.8
119.08605	4.9
121.06499	3.1
121.10123	9.8
123.08093	2.9
127.03918	19.4
128.06293	1.3
129.07050	1.6
131.04915	1.4
131.08574	11.4
133.10130	11.0
135.04424	1.7
135.08047	15.4
135.11710	4.4
143.08588	3.5
145.04967	6.1
145.10164	4.5
147.11678	2.6
149.09570	5.5
149.13318	1.2
153.06975	1.2
158.10959	3.4
159.03012	1.2
159.04422	1.2
161.02356	2.0
161.05991	3.2
163.03905	11.4
163.14818	2.9
167.08595	1.2
169.06589	2.0
171.08083	1.7
173.02353	2.2
173.13271	14.4
175.07585	2.6
175.14818	1.8
187.07611	3.8
189.09145	2.8
191.07039	4.3
191.14316	100.0
192.14662	5.3
195.08018	2.0
197.06105	1.6
199.07651	1.3
201.09087	1.2
203.06892	1.7
213.09192	2.5
215.07065	8.1
217.08582	1.9
217.90620	1.3
220.54788	1.1
231.04959	10.7
231.10231	2.5
235.09737	5.1
259.09668	12.1
277.07516	1.8
277.10703	13.8
278.10785	1.4
307.26813	1.2
403.08475	1.2
407.16901	2.8
421.14938	1.6
439.14557	5.5
439.20938	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	439.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.9
55.01867	4.7
55.05496	6.7
57.03429	13.9
60.44083	4.7
61.02935	7.1
67.05502	30.9
69.03429	50.3
69.07059	15.7
69.34013	23.0
70.06566	5.3
71.01344	4.9
71.04993	6.3
73.02906	5.0
77.24862	4.2
79.05479	6.8
81.03389	15.4
81.07050	4.2
83.04975	4.9
85.02909	32.8
85.03349	4.3
85.06533	6.7
87.00838	4.4
89.03906	10.2
91.05457	11.8
93.07043	5.4
95.08555	5.7
97.02888	37.5
97.06530	17.9
99.04451	8.1
105.07029	7.5
107.04988	5.4
107.08624	5.8
109.02869	8.5
109.10155	25.0
117.03379	8.2
119.04946	12.1
121.02853	20.5
121.10109	7.9
127.03897	18.7
127.11182	9.4
131.08574	6.9
135.04399	19.3
135.08067	9.4
141.07002	5.0
143.08517	6.1
145.02858	14.7
145.06540	4.8
147.04349	30.7
159.04276	4.8
161.02296	10.2
161.06000	7.6
163.03912	100.0
163.07558	10.5
163.14847	7.1
164.04262	5.1
173.02359	6.9
173.13264	7.3
175.07457	5.3
187.03915	7.4
187.07530	6.8
189.01813	7.2
189.09207	5.0
191.03459	6.1
191.07082	9.9
191.14276	54.8
207.02916	5.1
213.05487	6.1
213.09113	5.7
215.06909	23.4
217.08501	4.3
229.05051	7.6
229.13342	10.7
235.09621	11.9
241.04868	5.0
259.09674	30.7
277.07016	23.5
277.10693	37.4
291.10510	20.4
294.04944	6.7
295.06027	28.7
297.07571	6.6
307.06088	21.1
308.06754	12.2
309.07339	8.7
321.07526	8.9
322.08191	5.3
325.06998	54.1
337.07104	5.9
347.08911	6.1
349.06863	4.7
351.08344	5.7
365.10202	19.2
379.08090	8.5
391.08179	13.9
403.08041	8.3
421.09561	21.3
421.14352	6.4
439.11203	58.5
440.11285	5.4
440.17871	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	439.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.4
55.01868	5.0
56.03406	4.2
57.03425	14.6
67.05508	26.7
69.03424	43.1
69.07053	13.4
70.06599	4.7
71.05025	6.3
71.29620	4.6
72.05009	4.1
73.02917	6.1
79.05511	8.0
81.03403	21.0
81.07052	5.2
83.04979	7.8
85.02901	28.5
91.05527	3.8
93.07047	6.2
95.08620	7.3
97.02888	36.2
97.06528	32.0
99.04440	12.8
103.02301	4.1
105.07030	7.5
107.08553	7.9
107.36876	4.1
109.02881	13.3
109.10146	24.5
115.05489	3.9
119.04978	5.4
119.08597	5.9
121.06470	4.4
127.03892	15.9
127.11232	5.5
128.06238	5.4
129.59534	3.9
131.08553	8.4
133.10120	5.0
135.04321	6.4
135.08055	9.2
143.08574	5.9
145.04994	6.3
145.06400	4.9
147.04399	7.3
161.02374	7.3
161.06021	12.5
163.03917	45.1
163.07532	5.5
164.04321	4.4
167.08557	8.2
169.06497	5.4
169.10136	4.1
171.08054	6.5
173.02353	12.9
173.05942	6.1
173.13234	9.2
175.03941	5.7
175.07532	7.6
187.03870	8.7
187.07486	20.1
189.09093	13.0
191.07048	22.8
191.10748	5.1
191.14308	52.6
195.08029	8.7
197.05974	6.6
198.03249	3.8
199.07500	11.3
201.09145	7.1
203.07050	4.5
205.08647	5.9
210.01068	4.3
213.09099	15.7
215.07030	40.4
217.08607	16.2
222.50206	4.6
231.10152	16.0
235.09680	25.4
241.08627	11.8
259.09668	56.0
277.07147	13.0
277.10651	100.0
278.11029	10.2
407.16650	15.4
421.14871	9.1
439.14230	20.4
439.19479	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	440.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
55.01851	1.3
55.05500	1.6
57.03434	1.4
67.05508	1.0
68.05017	1.7
68.99801	0.7
69.03439	5.3
69.07074	1.4
70.06589	2.7
71.04975	1.2
71.28873	1.1
77.84081	0.7
79.05477	2.6
80.05029	3.7
81.03422	4.4
81.07038	1.4
82.06572	2.2
83.04987	0.9
85.02915	4.1
85.50854	0.7
86.03248	0.8
87.00828	0.7
87.91734	0.7
91.05488	8.8
92.05747	0.8
93.07037	0.9
97.02898	7.5
97.06537	2.9
98.03219	0.8
98.06059	7.5
98.06720	0.8
99.04458	2.0
100.07605	0.8
105.07028	2.1
107.04951	0.8
107.08586	1.5
109.02880	1.4
109.06483	0.8
112.47763	0.7
116.07101	2.4
117.03343	0.8
117.33479	0.7
119.04950	18.0
119.08561	2.3
121.10174	1.6
127.03917	1.2
131.08513	1.6
133.10121	1.9
135.04405	2.5
139.11172	0.8
142.07376	0.7
145.02901	1.6
145.10121	1.0
147.04413	100.0
148.04756	4.0
150.09982	0.8
161.06038	0.7
163.03926	13.4
164.04253	2.6
165.05505	1.8
173.13243	1.2
174.13704	0.9
175.14809	1.9
176.15166	2.1
179.60480	0.8
187.07605	1.3
188.07838	1.5
190.09425	0.8
191.14388	1.4
192.07349	1.5
214.09517	1.1
215.06976	2.0
216.07355	2.8
218.08900	0.8
236.10031	1.7
242.08739	0.9
259.09659	1.9
260.09998	4.5
277.10657	1.8
278.11026	5.6
309.09702	5.7
315.93622	0.8
425.18457	0.8
440.16452	3.8
441.17291	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	440.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.2
55.05509	9.8
57.03453	3.9
63.88022	3.2
65.50726	2.7
67.05513	7.1
69.03439	22.1
69.07060	9.6
70.03770	4.0
70.06589	4.3
79.05482	4.7
81.03412	9.2
81.07072	5.3
83.04991	5.6
85.02895	13.3
85.06548	5.6
88.04093	2.5
91.05482	6.9
93.07055	7.2
95.08628	3.2
97.02905	8.5
97.06530	7.1
99.04460	4.8
101.06013	8.4
105.07013	4.6
107.08600	7.2
108.08952	3.3
109.02898	4.8
109.10150	3.6
111.08078	7.5
115.07596	2.5
116.07083	4.2
121.10165	12.4
123.08081	3.6
127.03925	9.3
127.07561	12.7
128.04247	3.3
129.05429	3.1
133.10052	3.0
135.11678	5.9
136.08385	3.0
139.11192	23.5
145.10091	4.4
146.72917	2.7
147.04457	13.7
153.12729	5.0
154.07515	3.2
163.03917	7.4
163.11218	3.3
164.04271	3.7
165.91830	2.6
173.13191	3.0
174.13698	3.4
181.12280	10.6
191.14281	16.9
192.14651	27.9
199.13309	100.0
200.13643	4.2
215.06880	3.2
216.07391	3.2
230.13785	4.8
231.04836	3.8
236.10036	3.0
243.15874	5.6
259.09677	4.5
260.09933	3.1
277.10736	6.1
278.11096	7.2
281.95898	2.9
440.10727	5.1
440.16751	4.0
441.16895	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	440.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45512	1.2
53.03950	2.0
54.94392	1.1
55.01880	3.5
55.05511	15.2
57.03440	35.3
57.07069	1.9
58.33046	1.1
58.72226	1.1
61.02924	14.8
61.03222	1.6
67.05503	3.5
69.03430	44.6
69.07069	100.0
69.86115	2.7
70.07401	2.7
71.01347	4.7
71.04987	1.4
72.27934	1.2
73.02920	83.2
79.05498	2.9
81.03424	8.4
81.07059	4.9
83.04979	1.3
85.02905	93.9
86.03238	1.9
87.04469	3.0
91.05485	1.9
93.07037	2.0
95.08622	1.5
97.02895	62.1
97.06535	8.5
98.03194	2.7
98.06866	3.7
99.04475	4.9
103.03941	1.8
109.02867	9.2
109.10146	1.9
110.38705	1.1
111.11723	39.9
115.03931	40.6
115.04750	2.2
123.11688	1.3
127.03925	26.8
132.06612	2.2
133.04955	10.2
139.11241	1.4
144.06519	2.1
145.04953	33.4
150.07648	3.7
162.02731	1.1
163.03983	5.8
163.06007	26.3
163.07343	1.5
164.04265	2.1
173.02382	3.5
174.02711	3.5
193.05020	2.5
202.79968	1.1
215.07062	2.8
216.07399	5.1
223.06042	5.4
237.14893	2.4
241.07045	5.7
242.29291	1.2
259.08044	1.9
260.09991	7.5
273.16956	1.4
277.10580	1.2
278.11148	2.4
295.10254	2.2
440.16147	3.3
440.30283	1.5
441.24628	32.7
445.89474	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08132	0.6
50.97633	0.6
52.16183	0.6
53.03942	0.7
55.01881	0.8
55.05502	2.4
55.84593	0.6
56.05016	0.6
57.07052	0.7
63.79949	0.7
64.25771	0.6
67.05488	2.4
69.07057	2.0
71.04962	1.5
71.30717	0.9
72.08142	1.6
79.05485	2.7
81.07056	3.7
83.04958	0.7
83.08615	1.8
85.06542	67.5
86.06065	31.4
86.06859	1.3
91.05457	1.3
93.07056	3.1
95.04932	1.1
95.08604	1.5
96.08145	1.2
97.06505	1.3
97.10163	0.7
97.67583	0.7
98.09698	5.1
99.04451	3.9
103.05474	0.7
105.07031	1.5
107.08602	2.3
108.08101	1.7
109.06539	0.6
109.10155	0.7
110.09690	1.1
113.06004	23.2
114.06370	0.7
116.10728	32.2
121.08875	1.0
121.10123	0.7
122.09665	3.3
123.11651	0.8
125.09623	0.9
130.45667	0.7
133.10150	1.0
134.09650	2.9
135.98459	0.6
140.10742	1.1
149.13240	1.3
152.10713	4.0
152.75165	0.8
154.99440	0.5
157.08598	1.9
157.10043	0.7
170.11774	0.8
192.13831	0.8
204.99081	0.7
210.14894	36.6
211.15161	1.3
228.15945	100.0
229.16284	3.3
256.19131	1.3
257.17505	2.4
310.23770	0.9
316.09714	0.7
328.24780	3.6
422.29007	1.2
440.30087	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	440.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75258	0.5
55.01873	0.8
55.05519	3.4
55.98712	0.6
57.07054	1.0
67.05501	3.6
69.07063	3.2
69.19078	1.2
69.19486	2.7
70.06578	1.3
71.04985	2.1
72.08153	1.3
79.05506	2.7
81.07062	5.4
83.08626	2.9
85.06545	67.1
86.06068	30.1
86.06860	1.3
91.05481	1.4
93.07040	3.6
95.04955	0.7
95.08593	1.4
96.08147	1.0
97.06516	1.7
97.10172	0.8
98.06062	0.8
98.09708	5.1
99.04479	3.2
100.07642	0.5
101.06012	2.3
107.08582	2.5
108.08085	1.4
109.10152	1.3
113.06011	23.2
114.06314	0.7
114.09175	0.5
116.10735	35.9
117.11068	1.1
119.08607	0.7
121.10126	1.4
122.09653	3.5
123.08070	0.9
125.09626	1.9
133.10109	1.1
134.09625	1.6
138.09084	1.1
140.10735	0.7
143.08572	0.6
149.09474	0.6
149.13251	2.3
152.10678	3.0
157.08629	1.2
180.01407	0.6
192.13806	0.9
193.04842	0.7
210.14893	27.6
211.15254	1.3
228.15952	100.0
229.16164	4.3
236.14856	0.7
238.18016	1.1
239.16370	0.9
256.19113	1.4
257.17447	3.8
310.23666	2.8
325.11551	0.6
328.24884	4.0
422.29041	5.8
440.30203	7.4
441.28464	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	440.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.5
57.06799	1.6
57.07076	25.1
59.04986	1.2
67.05499	2.0
69.07072	1.6
69.34108	3.1
69.34512	1.5
71.08635	24.2
73.06551	4.5
79.05495	1.2
81.07029	1.0
81.95350	0.9
82.62524	0.7
83.08611	3.8
85.06575	0.8
85.10184	22.0
87.04454	2.6
89.06033	100.0
91.05460	1.3
91.07606	1.2
93.06985	0.9
97.10169	1.0
99.11734	4.3
107.07072	2.9
117.09142	2.6
130.08623	1.0
133.08609	43.8
135.10152	0.9
141.16391	3.7
151.07561	0.8
151.09737	1.2
161.11752	0.8
177.11235	13.3
185.19049	5.5
195.12297	2.3
221.13858	1.3
229.21638	7.3
239.14896	2.4
273.24280	3.2
283.17545	9.6
363.04474	0.8
379.30655	1.0
423.33154	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	441.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42376	0.8
56.49995	0.9
56.96569	30.3
65.29298	0.8
68.96574	0.9
70.86245	1.0
71.04588	1.8
71.95263	1.4
74.97625	1.1
75.48669	1.1
76.56602	0.8
82.89081	0.9
84.96034	13.1
94.06577	1.3
97.02881	1.5
98.97587	86.5
110.97569	30.5
112.99120	6.8
116.98625	36.6
119.04961	1.0
124.99138	1.4
128.97656	2.2
128.98613	35.3
131.00171	5.9
134.99669	8.0
140.98608	4.4
143.00169	11.2
144.98100	2.5
146.99654	16.1
147.04439	4.4
149.01216	3.0
152.98558	1.2
153.00638	1.1
158.99680	9.9
161.01236	17.4
162.99203	1.9
170.99649	6.7
174.99174	1.2
175.00536	1.7
177.00722	10.2
179.02304	5.3
182.99586	2.2
189.00713	8.7
191.00229	1.0
193.01814	2.8
195.01857	1.6
201.00673	8.3
201.71774	1.1
209.01198	3.1
211.02805	3.2
218.99765	2.9
219.01756	52.0
220.02219	1.5
227.02269	1.1
234.39432	0.9
234.99036	1.2
237.00694	8.2
237.02823	73.3
238.03282	2.6
242.03389	1.6
255.01712	24.2
255.03992	3.4
260.04382	1.5
261.02744	1.6
273.02820	21.8
277.00006	1.2
297.03040	4.4
312.69785	1.0
315.01801	3.7
321.02734	2.2
323.04395	4.3
333.02817	10.9
339.03824	3.2
341.05374	2.2
351.03946	2.9
363.03873	5.3
381.04932	38.7
382.05319	2.0
399.06003	100.0
400.06418	4.9
417.07001	3.7
422.07346	2.2
441.07117	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60299	0.7
56.96563	15.9
58.81110	0.8
63.23572	0.7
69.03440	1.0
71.27139	0.8
71.95258	0.9
84.96034	9.8
96.92221	1.0
98.91936	13.6
98.97580	100.0
110.97565	34.6
112.99197	1.7
116.98620	30.0
116.99432	1.7
124.99135	3.0
127.00725	1.5
128.98608	23.8
128.99551	1.5
131.00192	1.2
134.99670	4.5
140.00146	1.4
140.98593	9.6
143.00157	14.3
146.99608	6.2
147.04379	1.3
152.98598	6.2
158.99648	36.0
160.71216	0.8
161.01216	7.8
170.99654	25.1
173.01254	1.5
174.99193	0.8
177.00711	23.5
179.02205	0.9
180.97493	1.5
182.97299	1.1
182.99660	18.1
183.01199	1.4
188.98997	0.9
189.00699	21.5
195.01799	2.1
201.00696	51.1
202.01140	1.0
203.05304	1.8
206.99982	0.9
207.01790	4.7
213.00726	3.7
217.03825	1.4
219.01755	42.2
231.01740	4.7
237.02789	15.1
243.01758	17.5
249.02730	1.0
255.04073	1.0
261.02811	83.4
262.03204	2.2
273.02704	5.6
279.03864	48.6
280.04227	2.1
291.03860	15.2
297.04913	1.9
309.04849	1.5
321.04929	33.6
333.04959	3.0
351.05997	4.1
365.10559	7.4
381.07327	3.6
399.07788	2.5
407.20349	1.0
417.68405	0.9
441.09073	18.8
441.14749	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	441.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	0.8
65.03931	1.3
69.03443	2.6
70.06602	3.2
71.04975	0.5
71.28161	0.6
80.05012	0.8
81.03416	5.1
81.07064	0.5
83.04993	0.7
85.02889	1.7
91.05479	10.3
97.02877	1.4
98.06067	0.8
98.97570	0.9
99.04464	0.9
109.02879	1.5
111.18696	0.6
113.28161	0.5
117.71055	0.4
119.04940	22.1
122.06051	0.6
127.03962	1.1
135.04353	0.5
147.04405	100.0
148.04791	3.9
163.03954	2.8
165.05475	4.9
237.00592	0.8
261.02859	0.6
266.15289	0.5
279.03622	0.6
291.08560	5.1
309.09937	2.4
352.55569	0.6
441.16898	2.3
441.22443	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.7
57.03432	0.9
69.03421	1.5
69.07050	3.2
70.88847	0.9
71.04986	3.2
73.02920	1.6
80.72077	0.8
83.08619	2.0
85.02913	1.7
97.02901	1.9
97.06544	1.4
106.19083	0.9
111.11720	1.1
142.13065	1.0
163.03867	1.2
164.04272	1.2
193.12070	1.5
196.51201	0.9
203.05307	3.2
227.05197	1.1
243.04799	1.1
245.06384	10.0
261.10150	1.2
287.03772	11.6
289.05283	83.2
290.05597	2.8
317.11090	1.0
355.17261	5.9
397.18317	29.8
398.18851	1.8
441.17310	100.0
442.17654	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	16.5
57.03436	16.5
57.27737	10.7
64.08563	12.0
69.03429	37.1
69.07068	100.0
69.49844	32.6
69.50257	29.3
69.54736	13.6
70.06583	10.9
72.64881	10.3
80.04987	16.3
81.03410	25.1
83.04976	12.8
85.02894	49.4
91.05486	23.7
92.83379	11.3
97.02883	49.1
97.06541	22.6
98.97594	13.1
99.04458	16.4
111.11732	51.3
119.04929	19.7
129.12743	64.0
131.08585	13.6
147.04398	95.5
148.04753	43.9
163.03917	42.3
193.04924	24.5
234.99042	28.2
251.06891	12.7
279.06488	19.6
279.12097	20.9
409.92734	12.1
441.11804	21.0
441.16937	40.0
441.21777	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2456
Annotation	Lys Phe Phe
Peak:m/z	Relative Intensity
69.35091	2.1
97.06518	0.5
110.79957	0.3
136.95245	0.3
200.76628	0.3
246.33827	0.3
260.12271	0.3
261.10223	0.6
279.11365	0.4
279.19318	0.7
359.71652	0.3
441.24554	100.0
442.24905	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	441.2458
Annotation	Lys Phe Phe
Peak:m/z	Relative Intensity
50.18537	0.2
70.63898	0.3
70.64243	0.4
73.74311	0.2
95.08543	0.2
97.06530	0.4
102.74763	0.2
123.23264	0.2
133.94597	0.2
147.04445	0.4
152.32095	0.2
203.05278	6.0
210.14897	0.2
261.10446	0.4
261.18176	1.9
279.19287	0.7
328.96088	0.2
338.72461	0.2
392.02542	0.2
441.24579	100.0
442.24899	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	442.171
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46132	0.8
57.03059	0.8
65.03958	0.9
69.03436	5.8
73.02893	1.0
76.04485	0.8
79.06505	0.9
79.87963	0.7
81.03426	1.7
85.02917	1.7
91.05484	6.8
92.44376	0.8
94.06623	0.7
97.02917	3.9
99.04458	2.2
115.03905	1.4
118.02775	0.9
119.04960	20.0
120.05267	0.9
120.57236	0.8
121.02881	1.5
147.04413	100.0
148.04779	4.3
153.09673	0.8
227.07002	0.9
245.27126	0.8
281.08041	0.9
309.09695	4.6
425.67172	0.8
428.31805	1.0
442.19858	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94458	0.6
54.05061	0.8
56.74215	0.6
61.84348	0.6
69.03432	4.7
69.58677	3.2
74.57481	0.6
81.03416	1.0
85.02937	0.8
91.05479	6.4
96.75486	0.6
97.02899	3.6
98.23350	0.7
99.04485	0.6
108.04498	1.0
119.04954	17.4
147.04419	100.0
148.04785	3.5
164.10822	0.7
165.05540	0.8
183.13501	0.6
191.28673	0.6
203.05241	0.9
212.88390	0.7
309.09686	4.5
442.17047	1.1
443.22168	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01108	0.5
57.65121	0.6
65.03957	0.6
69.03432	5.4
71.14652	1.2
72.90269	0.5
81.03395	0.8
85.02898	1.2
91.05483	6.4
97.02901	2.6
97.10195	0.9
99.04437	1.1
99.05774	0.6
103.53033	0.6
119.04942	18.0
125.09663	1.0
147.04410	100.0
148.04738	2.9
165.05449	1.1
166.85916	0.6
167.19295	0.5
189.11150	1.6
204.98943	0.6
262.87244	0.6
309.09540	4.1
315.14371	0.7
442.18011	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	442.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.6
55.01871	3.2
55.05513	16.5
56.05019	1.5
57.03439	8.1
57.57807	1.0
60.04512	1.3
61.41123	1.0
65.03925	2.1
67.05495	2.0
68.05031	27.5
68.86037	1.1
69.03434	46.2
70.06596	37.0
71.05005	2.5
71.29463	1.0
72.08173	1.1
73.02905	3.8
79.41724	1.0
80.05019	49.3
81.03422	31.6
82.06586	17.2
83.04986	8.9
84.04502	1.5
85.02915	20.6
87.04472	1.1
91.05481	12.2
95.04971	6.3
95.08630	1.4
96.04501	2.9
97.02892	17.0
98.06059	99.9
98.97574	1.1
99.04461	18.6
99.06400	2.1
100.07629	12.1
101.02382	1.7
105.07059	1.2
107.04971	2.4
107.08610	1.6
109.02878	3.3
110.05998	1.2
111.04469	1.1
113.09648	17.0
114.05576	1.2
115.03960	2.3
116.07096	56.4
117.07415	1.5
119.04951	15.3
121.02892	2.3
121.06532	2.1
122.06070	2.3
123.04442	21.9
126.05508	2.6
127.03915	15.2
131.10716	2.8
144.06548	3.6
145.04955	2.4
147.04414	100.0
148.04776	4.0
158.08243	1.2
163.03909	2.4
165.05450	6.2
179.07018	1.8
182.08107	2.0
184.07455	1.4
187.06029	3.9
187.88498	1.0
190.66269	0.9
191.07152	1.5
194.02756	1.3
205.07146	1.8
224.09273	1.1
232.09637	2.5
242.10306	2.4
245.10196	1.2
262.10779	2.8
263.16376	1.6
267.08575	2.0
280.11716	1.5
281.13907	1.5
284.11252	1.0
287.11368	2.6
291.08817	1.6
302.12445	1.6
309.09705	19.0
406.14792	1.7
424.16312	2.4
442.16824	3.1
443.15372	2.3
443.23215	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.6
55.01871	3.2
55.05513	16.5
56.05019	1.5
57.03439	8.1
57.57807	1.0
60.04512	1.3
61.41123	1.0
65.03925	2.1
67.05495	2.0
68.05031	27.5
68.86037	1.1
69.03434	46.2
70.06596	37.0
71.05005	2.5
71.29463	1.0
72.08173	1.1
73.02905	3.8
79.41724	1.0
80.05019	49.3
81.03422	31.6
82.06586	17.2
83.04986	8.9
84.04502	1.5
85.02915	20.6
87.04472	1.1
91.05481	12.2
95.04971	6.3
95.08630	1.4
96.04501	2.9
97.02892	17.0
98.06059	99.9
98.97574	1.1
99.04461	18.6
99.06400	2.1
100.07629	12.1
101.02382	1.7
105.07059	1.2
107.04971	2.4
107.08610	1.6
109.02878	3.3
110.05998	1.2
111.04469	1.1
113.09648	17.0
114.05576	1.2
115.03960	2.3
116.07096	56.4
117.07415	1.5
119.04951	15.3
121.02892	2.3
121.06532	2.1
122.06070	2.3
123.04442	21.9
126.05508	2.6
127.03915	15.2
131.10716	2.8
144.06548	3.6
145.04955	2.4
147.04414	100.0
148.04776	4.0
158.08243	1.2
163.03909	2.4
165.05450	6.2
179.07018	1.8
182.08107	2.0
184.07455	1.4
187.06029	3.9
187.88498	1.0
190.66269	0.9
191.07152	1.5
194.02756	1.3
205.07146	1.8
224.09273	1.1
232.09637	2.5
242.10306	2.4
245.10196	1.2
262.10779	2.8
263.16376	1.6
267.08575	2.0
280.11716	1.5
281.13907	1.5
284.11252	1.0
287.11368	2.6
291.08817	1.6
302.12445	1.6
309.09705	19.0
406.14792	1.7
424.16312	2.4
442.16824	3.1
443.15372	2.3
443.23215	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01868	2.3
57.03159	1.4
57.03439	24.7
57.07065	1.1
61.02929	10.5
61.45425	0.7
67.05481	0.9
69.03429	30.9
69.49726	4.0
71.01346	3.4
71.04993	1.7
71.08614	2.5
73.02921	45.9
79.05504	1.4
81.03401	5.1
81.07043	1.3
85.02905	100.0
86.03223	0.9
87.04462	2.9
91.03930	3.8
97.02893	50.7
97.06555	1.1
99.04431	4.4
109.02881	9.2
109.10217	0.9
115.03929	29.4
127.03914	28.3
127.84758	0.7
133.04964	8.5
138.70183	0.8
144.78662	0.8
145.04961	44.9
146.05272	1.3
146.63194	0.8
150.07646	2.2
159.65286	0.8
163.06015	31.3
165.09109	0.8
186.58713	0.9
193.04814	0.9
196.17722	0.7
198.38104	0.8
204.11957	0.9
223.06053	4.4
238.35019	0.8
241.07056	3.3
259.08060	2.7
277.06238	0.8
295.10089	1.2
394.87900	0.8
424.30301	1.0
430.79980	0.8
437.20282	0.8
442.24878	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	442.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.2
54.07315	1.0
55.01870	1.8
55.05511	3.5
57.03439	28.9
57.07064	2.4
61.02932	12.9
67.05493	1.3
69.03435	26.8
69.08751	10.8
69.20885	1.1
70.03756	1.0
71.01348	2.1
71.04993	2.2
71.08629	4.7
73.02922	52.5
79.05476	1.3
81.03420	7.6
81.07030	1.8
82.87718	1.1
83.04941	1.3
83.08610	2.4
85.02909	100.0
86.03233	1.9
87.04465	2.9
88.11268	3.0
91.03961	5.0
93.07050	1.6
96.04397	1.1
97.02895	47.1
97.06520	2.1
99.04471	3.9
100.07610	1.5
100.11267	5.7
101.02380	1.5
103.03895	1.5
107.08577	1.3
109.02890	8.0
111.04424	2.9
115.03931	25.6
116.86434	1.3
119.19855	1.3
121.10098	1.4
124.27391	1.0
127.03915	29.9
128.07057	2.0
133.04970	5.5
145.04962	46.6
146.05267	1.1
150.07607	2.2
157.10039	1.1
163.06026	22.5
165.09073	2.1
170.15392	12.3
182.15468	6.1
198.14906	7.7
210.14836	7.6
223.06046	2.4
228.16098	1.2
241.07179	2.4
245.18539	1.4
293.19736	1.5
295.10147	1.4
314.27982	1.4
337.21304	2.3
355.22308	1.6
367.00421	1.3
375.17145	1.2
397.68692	1.3
424.31677	6.2
442.32968	5.7
443.18655	2.5
455.49368	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01854	0.9
55.05484	1.3
57.03434	6.5
58.06601	32.0
59.07384	10.5
60.08165	9.3
67.05505	4.9
69.03410	0.6
69.07031	1.1
73.02904	0.8
73.50552	0.4
74.12013	0.4
75.04478	3.2
78.83670	0.4
79.05492	3.9
80.16161	0.4
81.03401	1.0
81.07057	3.9
83.04971	1.8
83.08611	0.4
83.85804	0.4
84.08144	1.0
85.02898	2.6
87.04485	4.3
91.05490	3.5
93.05517	0.5
93.07047	3.0
95.04939	1.6
95.08620	2.1
97.02853	0.4
97.06484	0.9
97.89740	0.4
98.22614	0.7
102.05511	0.9
103.03901	0.7
105.05484	0.9
105.07021	2.3
107.04943	0.4
107.08585	0.9
109.06495	0.6
113.06008	0.8
116.10681	0.4
117.07016	0.6
119.08534	1.2
126.63851	0.4
129.07005	0.5
130.08618	0.5
130.97740	0.3
131.07036	2.6
131.08507	0.4
133.10085	0.8
135.16034	0.4
144.10185	8.1
147.11655	1.5
152.66531	0.4
161.09766	0.4
161.13266	0.6
162.11229	4.6
171.11665	0.7
218.13806	0.7
236.14917	100.0
237.15297	4.2
281.17416	0.8
296.90598	0.4
313.90430	0.4
424.26929	21.4
425.27457	1.6
442.27997	79.0
443.28326	6.6
445.10855	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94590	2.1
55.01861	3.4
55.05518	10.4
57.03423	2.1
57.07061	2.0
60.98622	1.7
63.46757	1.9
67.05492	5.7
69.07073	11.8
69.80457	8.1
70.06542	2.0
71.08655	2.2
72.08154	5.6
79.05499	6.7
81.03364	2.0
81.07065	9.3
83.04984	2.6
83.08592	10.0
84.08154	2.9
85.06556	3.2
86.06063	30.0
91.05470	3.2
93.07058	6.8
95.04956	3.1
95.08604	7.2
96.08136	10.1
97.06531	8.2
97.10157	1.7
98.06046	2.9
98.09680	15.5
98.23386	2.0
99.04447	2.4
107.08598	6.5
108.08100	3.8
109.10151	6.4
111.08134	2.5
111.52563	1.9
116.10731	68.3
117.11069	2.6
121.10125	2.3
122.09707	4.0
124.07592	3.1
142.08655	13.6
149.13248	5.5
181.20197	1.7
209.69080	2.0
212.16400	9.5
230.17487	6.0
238.18100	2.3
239.16304	2.0
257.17508	3.4
283.15372	3.4
285.97046	1.8
292.22635	3.0
310.23752	17.9
311.23856	1.9
328.24799	100.0
329.25040	8.8
330.25415	4.6
442.16422	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	442.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.9
55.05515	7.5
57.03430	0.9
57.07072	1.9
59.04989	0.9
59.16078	0.7
60.03368	0.7
62.06070	0.8
67.05509	5.1
69.07071	14.7
69.81878	1.4
69.82256	1.1
70.06599	1.7
71.05006	1.5
71.07350	1.2
71.08608	0.9
72.08161	3.9
73.06557	1.2
79.05486	3.2
80.01352	0.8
81.07063	6.7
83.04960	1.0
83.08627	7.6
84.08140	2.9
85.06551	1.0
86.06068	24.7
91.05475	1.8
93.07043	3.4
95.08615	3.8
96.08148	5.0
97.06535	3.4
97.10174	1.4
98.06059	3.3
98.09693	13.6
99.04449	1.8
107.08596	2.7
108.08119	4.2
109.10146	1.4
110.09743	0.8
111.08091	2.1
114.09165	1.4
115.07546	1.2
116.10733	63.0
119.08518	1.0
121.10183	1.9
122.09657	4.1
124.07648	1.5
126.09113	1.0
128.92722	0.8
131.08560	0.8
135.11670	0.8
136.11247	1.2
140.10695	1.4
149.13284	4.2
152.04187	0.9
167.14328	1.3
212.16412	1.9
214.17970	1.3
231.15889	1.6
238.94447	0.8
239.16476	3.0
257.17474	3.6
262.21661	1.1
264.23215	1.0
274.21710	1.6
280.22659	1.5
292.22687	3.8
310.23746	18.2
311.24097	1.0
315.28116	0.8
328.24811	100.0
329.25229	7.1
442.32068	3.8
443.26572	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.9603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71193	4.3
66.40002	4.8
69.67405	23.2
76.54753	4.7
84.97279	4.9
104.99267	100.0
104.99914	8.1
120.96649	5.0
147.17169	4.7
186.99567	20.7
238.53494	5.1
278.95422	53.1
314.11270	5.3
360.95920	10.8
369.84198	5.6
389.00098	6.0
405.03220	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	443.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.7
59.85717	0.5
67.05503	1.2
68.63980	0.4
69.07069	0.7
69.20908	0.5
70.45790	1.2
79.05476	0.7
81.07050	1.4
83.04993	0.5
85.02895	0.5
91.05473	1.4
93.07069	0.4
95.08612	1.1
97.06520	0.4
104.07463	0.4
105.07050	0.5
108.29256	0.4
112.21896	0.4
165.09137	1.5
185.04237	0.9
192.11725	0.5
195.13599	2.8
223.13107	1.0
291.19888	0.5
339.17776	0.6
356.62634	0.5
357.18811	10.7
358.19061	0.8
399.19882	40.8
400.20349	2.6
443.18866	100.0
444.19269	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	443.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63454	12.6
53.32871	12.2
57.03437	17.8
63.13516	10.4
67.05508	14.2
69.03432	36.5
71.87645	11.3
81.03403	29.1
81.07072	14.9
83.04985	42.1
83.38245	10.9
85.02927	78.3
91.05486	18.5
93.07065	18.6
97.02878	29.7
105.07030	50.1
107.08574	28.1
109.02891	31.1
109.06548	14.3
109.10126	16.1
109.73282	13.6
121.10127	13.4
127.03915	22.9
131.08556	17.7
133.06517	16.6
133.10165	21.1
135.08051	25.5
137.09590	16.0
141.52069	14.2
145.10106	13.5
147.08029	12.9
153.05479	17.5
156.09320	12.9
157.10117	15.8
161.06003	16.5
161.09592	30.5
163.11214	24.8
165.08990	16.0
171.11716	42.3
181.12111	13.8
184.08783	14.0
189.12753	17.8
199.11205	69.3
203.10719	18.4
207.06512	21.7
217.12308	17.1
227.10603	32.3
244.09758	14.4
245.11723	59.6
245.15388	19.0
263.12823	100.0
263.16458	33.4
281.09973	13.5
281.17487	73.4
435.51071	12.2
443.18378	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	443.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.7
55.32357	0.6
65.38507	0.5
65.50764	0.5
67.05493	0.7
79.05493	1.8
80.01551	0.6
81.07062	1.0
91.05482	1.7
93.07056	1.3
95.04963	0.7
95.08630	0.8
96.95763	0.6
105.07020	0.8
109.10131	0.8
111.08083	0.6
117.07037	0.6
121.10171	0.6
133.10173	0.9
157.10094	0.7
310.33633	0.6
443.24039	100.0
444.24390	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	444.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	5.2
57.03434	12.9
58.06593	31.7
59.04992	23.6
59.07374	14.9
60.08158	10.5
64.98366	5.4
69.03429	27.9
70.06577	10.2
71.04963	8.0
71.14741	7.1
71.15062	5.8
73.02898	6.9
73.04757	11.2
77.13329	4.9
79.05490	9.9
81.03407	6.8
81.07044	7.0
83.04984	50.5
85.02900	21.3
87.04456	14.9
87.47038	4.8
90.15944	5.6
91.05380	6.5
91.05852	10.6
91.07582	5.0
93.07058	8.6
93.33754	4.6
95.04979	6.4
97.02886	20.4
105.07030	7.3
107.08582	6.6
107.95145	4.9
115.03912	20.8
115.11234	7.7
119.04942	17.8
119.08540	6.5
127.03906	10.7
133.04865	11.5
133.12271	18.8
135.11670	5.4
144.10181	8.9
147.04399	100.0
148.04695	11.0
167.05600	10.2
197.11687	7.5
236.14888	98.6
260.47211	5.0
279.61536	5.7
359.02750	11.8
426.24887	21.5
444.20111	8.1
444.25894	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	444.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.8
55.05504	2.0
56.96573	7.0
57.03442	4.5
57.07072	4.4
61.02941	7.1
63.22125	1.3
63.89004	1.3
65.03932	1.9
67.05512	22.2
69.03438	24.0
70.06593	1.5
71.03471	1.3
71.04994	2.5
71.28659	2.3
73.02916	3.4
73.04753	5.2
80.05004	2.0
80.20516	1.5
81.03422	11.2
83.04980	2.2
84.96049	1.8
85.02913	61.5
85.06550	100.0
86.03262	1.8
86.06891	2.3
87.04472	1.9
91.03944	2.9
91.05814	8.3
97.02901	22.8
98.97572	19.0
99.04465	7.5
103.07587	15.2
109.02882	5.7
109.06497	1.7
110.72784	1.3
110.97598	5.5
111.04440	4.0
113.06030	3.6
116.98621	5.2
119.01889	2.2
121.06495	1.3
127.03928	14.6
128.98602	4.3
131.13106	1.3
134.99707	1.6
143.00211	2.3
143.01894	2.4
145.04982	29.1
147.04388	2.2
149.04546	1.4
155.00142	2.3
155.02029	1.4
158.99663	6.3
159.03279	2.9
161.01225	1.8
161.02943	2.5
161.04678	3.2
163.06050	9.2
167.02748	1.5
167.05595	4.7
168.03677	2.9
170.99677	2.4
173.01210	2.7
174.97691	3.4
175.02699	1.6
177.00702	4.2
182.03470	1.5
185.58429	1.4
188.55023	2.4
189.00728	3.6
192.98701	1.8
197.01207	2.9
198.97838	2.6
201.00761	2.9
210.97667	2.9
213.00937	1.3
215.02217	2.2
216.98688	17.4
219.01849	5.1
225.04155	2.2
228.98778	7.6
229.10773	4.3
233.03334	1.6
233.06841	2.2
234.99756	5.2
237.02867	5.9
239.04976	3.0
240.05742	2.4
241.02159	1.5
243.00320	3.1
246.99696	2.8
247.03271	1.3
252.03969	1.7
252.98692	1.9
258.99704	2.0
259.03531	3.5
270.99777	4.8
271.02893	1.4
288.06671	1.8
289.08078	1.7
290.08621	1.6
296.06479	3.7
297.07281	5.1
298.08160	1.8
301.00784	3.3
303.07419	4.3
304.08078	2.3
304.58078	1.5
305.07098	5.7
311.57233	2.2
312.06314	1.5
313.08414	1.7
315.07510	1.5
319.01672	6.2
321.08426	2.4
359.02744	7.5
371.49423	1.5
385.06534	3.2
403.07709	6.8
463.09555	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	444.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01862	5.2
55.02102	1.6
55.05513	3.0
56.96570	8.4
57.03440	6.3
57.07073	4.0
61.02927	7.9
67.05503	17.0
69.03431	42.0
70.06595	2.6
71.05000	1.8
71.28246	1.7
73.02921	7.3
73.04759	9.5
80.05048	2.0
81.03421	27.3
83.04996	4.9
84.04530	2.0
85.02911	56.0
85.06547	100.0
86.06853	2.1
87.04478	4.4
91.03951	5.2
91.05802	18.5
95.04987	2.2
97.02898	27.4
98.03257	1.6
98.97574	17.9
99.04466	14.4
99.82104	1.7
101.00880	3.8
103.07587	16.2
109.02893	4.8
110.97569	4.0
111.04479	1.6
113.00908	1.8
113.06014	10.9
115.03947	3.3
116.98641	4.8
119.01926	8.5
120.02026	2.5
120.08128	2.7
121.02925	1.8
122.00018	1.7
123.29308	1.5
127.03904	22.0
128.98630	3.1
129.45161	1.5
131.01906	5.7
131.07069	1.6
134.99747	1.8
143.00185	1.8
143.01907	12.7
145.01675	2.4
145.03436	4.3
145.04979	24.7
149.04567	2.4
151.04306	2.5
152.05695	6.8
152.06911	2.2
153.04030	1.7
155.00177	2.0
155.01912	2.5
157.03474	4.9
158.07106	1.9
158.99704	4.7
159.04019	2.9
160.04791	3.9
161.01727	2.1
161.02945	13.3
163.06020	11.3
167.05577	8.7
169.03551	1.9
170.99709	2.9
171.05026	7.5
173.01318	1.7
173.02991	4.7
174.04515	2.4
175.04488	3.1
176.08272	2.2
177.00874	8.4
178.01074	6.6
179.00702	3.9
181.03520	4.0
185.01270	1.6
186.06639	8.8
187.04489	1.7
188.04161	2.3
189.00755	3.0
197.01335	2.7
197.03050	3.0
199.04553	6.8
201.00890	4.5
202.01106	5.2
202.05606	2.7
203.00618	4.0
203.02454	1.8
203.04037	7.0
204.02591	1.7
208.55898	1.8
209.06659	1.9
213.00931	3.1
214.00980	2.0
214.05890	2.2
215.02271	2.7
215.04128	2.8
216.02692	2.2
216.98756	11.0
219.01987	16.0
220.02162	20.2
220.04489	2.4
221.01770	9.0
221.05003	11.7
224.04057	2.1
225.04250	3.8
227.02470	6.6
228.00667	2.3
228.02580	12.2
228.98639	4.0
229.02409	6.5
229.10788	3.5
230.00586	2.0
231.01945	4.4
232.02235	3.4
232.06837	3.9
233.07269	2.4
234.99767	3.1
237.02885	4.0
238.01085	2.0
238.05669	2.7
240.02528	2.7
241.02074	2.0
241.05443	3.2
241.07552	3.2
243.02122	10.4
243.08775	2.1
244.02138	22.6
244.06242	2.4
245.01622	9.4
246.01572	1.7
246.03799	7.0
246.08800	9.7
247.03435	3.8
255.02034	7.0
256.02136	16.1
256.06653	3.9
257.01593	3.8
258.03500	1.7
258.99753	2.9
259.03366	2.4
261.03006	6.4
262.03107	14.6
262.05414	1.8
263.02905	7.2
263.06055	3.1
264.09811	10.4
269.03610	5.8
270.03711	6.5
270.99890	4.3
271.03317	2.1
271.06924	1.8
273.02808	2.9
274.03168	8.1
275.02921	3.5
282.03812	8.3
285.02985	4.9
286.03290	9.1
287.03119	2.1
289.07831	3.3
290.09222	5.5
295.03650	1.9
299.06210	3.5
301.00598	2.1
303.04233	2.3
303.09106	2.1
304.04279	9.6
305.03851	3.4
305.07227	8.7
306.03900	2.9
314.07611	2.0
317.07181	1.9
319.01901	5.2
322.05051	2.0
324.04810	4.7
330.06180	1.8
341.05667	2.3
342.06290	3.1
342.99692	3.0
346.05301	4.6
354.06155	4.6
359.02792	11.5
359.06720	2.7
372.06821	4.4
373.06656	3.7
384.06955	3.9
385.06589	2.8
401.07147	2.0
402.07867	6.8
403.07904	4.6
419.08585	2.4
421.08810	1.9
426.15179	9.2
444.09363	13.4
445.08667	9.9
462.10229	7.8
463.09689	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.01875	4.2
55.05511	7.4
57.03435	8.4
57.52932	0.5
58.06602	42.5
59.04992	0.8
59.07386	13.4
59.07676	0.6
60.08165	12.0
65.08672	0.5
67.05506	4.6
69.03433	3.2
69.07043	1.9
69.49664	1.2
69.50085	2.2
70.46076	0.5
71.04960	1.6
72.68488	0.6
73.04733	1.4
75.04479	2.8
75.83944	0.5
78.98507	0.6
79.05496	7.4
81.02998	0.6
81.03417	7.5
81.07059	5.9
83.01337	2.5
83.04986	6.7
83.08622	2.9
84.08104	1.3
85.02905	5.2
87.04472	4.2
91.05395	3.9
93.06490	0.6
93.07041	8.7
95.04950	1.9
95.08587	2.2
96.04499	0.7
97.02905	2.5
97.06529	2.8
97.10152	0.7
99.04436	2.8
100.11215	0.6
102.05539	0.9
103.03957	3.4
105.07017	2.9
107.04926	2.0
107.08604	2.7
109.02885	3.7
109.06518	2.4
109.10156	0.9
113.05968	1.7
117.06990	1.7
119.08591	3.0
121.06476	1.9
121.10173	2.4
123.08096	2.8
127.03899	3.6
129.06973	0.5
129.51842	0.5
130.07777	0.6
131.07011	1.3
133.10100	0.6
135.07994	0.9
135.11702	4.3
138.09117	0.7
140.10706	0.9
141.09068	0.5
144.10205	8.6
145.10139	3.9
149.04572	0.6
152.43491	0.6
153.12749	3.1
159.06544	0.5
159.11719	0.8
162.11240	2.2
163.11197	5.7
164.10677	0.9
167.05553	1.1
173.09636	0.9
181.12234	2.8
183.06573	1.1
191.10675	2.5
203.08051	1.3
204.06438	0.6
205.28331	0.5
209.11737	1.8
218.13907	1.1
227.12796	4.1
229.12280	0.5
231.91017	0.5
236.14923	78.7
237.15262	2.7
245.09256	0.7
252.79831	0.6
263.10138	0.6
282.17615	1.1
283.15369	2.0
286.11072	0.7
287.26523	0.6
305.11325	1.9
331.12292	0.7
338.37332	0.6
339.17801	0.9
351.25742	0.5
353.16125	1.5
353.39017	0.5
359.02896	1.8
398.18414	0.6
400.19254	1.4
408.23535	0.8
426.24872	22.5
427.25113	2.4
444.18805	3.7
444.25946	100.0
445.20450	3.2
445.26300	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	444.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	1.5
55.05512	2.6
57.03438	7.1
58.06601	31.2
59.04988	0.5
59.06921	0.7
59.07384	12.0
60.08166	8.7
67.05477	1.8
71.14449	0.5
73.02899	0.6
75.04474	3.2
78.98548	0.5
79.05504	2.1
81.03393	1.1
81.07023	2.0
83.01325	1.0
83.04971	2.1
83.08611	1.2
85.02905	2.8
87.04471	5.6
91.05463	1.1
93.07046	2.4
95.04938	0.7
101.33957	0.5
102.05491	0.7
103.03891	0.7
105.05473	1.3
107.04914	0.5
107.08556	1.0
109.06503	0.8
113.06000	0.7
121.10147	0.8
123.08060	0.6
131.07037	2.2
135.11662	0.7
141.55261	0.5
144.09123	0.6
144.10194	7.8
145.10117	1.1
162.11269	4.8
163.11200	1.7
218.13811	0.8
236.14922	100.0
237.15279	3.7
265.34692	0.5
361.43198	0.5
382.25760	0.5
403.85010	0.5
426.24869	23.1
427.25146	1.8
444.25940	73.9
445.26239	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	444.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
55.01858	1.3
55.05518	10.5
57.03426	2.2
57.07072	3.2
58.06597	1.3
59.04991	1.2
62.06081	2.1
67.05501	8.9
69.03399	1.3
69.06726	1.2
69.07069	12.7
70.06595	4.0
71.04995	2.0
71.07384	1.3
72.08163	5.0
73.04753	2.0
78.39100	0.9
79.05498	9.7
81.03419	1.6
81.07059	32.4
83.04992	2.2
83.08621	8.0
84.08148	5.8
85.06548	1.4
86.06064	7.3
86.78006	0.8
88.07636	1.5
90.90742	1.0
91.05441	3.0
91.05866	2.7
93.07044	9.4
94.47673	0.7
95.04964	1.4
95.08604	13.2
96.08126	8.9
97.06553	5.9
97.08918	1.1
97.10165	2.3
98.06017	1.1
98.09689	10.0
99.04453	0.9
99.08078	6.1
100.07597	0.9
104.09000	0.8
105.07054	3.2
107.07407	0.8
107.08593	6.3
108.08118	4.9
109.08877	1.0
109.10162	4.6
110.09669	4.6
111.04426	0.9
111.08084	2.6
116.10734	68.5
117.11072	1.6
119.08529	1.3
121.10126	3.1
122.09667	4.6
125.09634	0.8
126.09173	1.5
128.10771	1.4
131.08582	1.3
133.10133	2.1
135.11693	3.1
136.11203	1.9
138.12740	1.0
140.10683	1.7
141.11481	1.5
144.10242	1.2
145.10115	0.9
149.13278	5.8
151.13522	1.0
154.12267	3.4
159.11717	1.4
166.15836	1.1
167.05560	2.6
170.05812	0.8
196.16994	10.0
214.18021	100.0
215.18330	4.6
231.15817	1.1
232.19087	8.9
236.14905	2.2
238.17909	6.0
239.16408	2.0
256.19049	6.6
257.17416	10.6
292.22830	1.3
310.23709	10.6
328.24814	29.1
329.25079	1.4
334.09006	0.8
359.02750	3.4
408.30835	4.5
426.32129	79.7
427.32529	5.9
437.92340	0.9
444.26657	1.7
444.33185	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	445.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73489	2.1
55.01871	3.2
57.03436	50.1
61.02930	19.9
67.05514	3.3
69.03432	45.7
70.06587	2.1
71.01365	4.2
71.04998	3.5
71.29010	2.8
72.04502	2.3
73.02920	100.0
73.04751	14.2
79.05504	4.0
81.03427	11.9
81.07085	2.4
85.02908	85.2
87.04470	5.7
91.03955	3.1
91.05811	24.3
93.07042	3.8
95.04996	4.5
97.02895	66.6
99.04453	4.0
106.06565	2.1
107.04967	3.7
107.08582	3.0
109.02897	8.4
115.03928	45.3
119.08472	2.4
119.32703	2.2
121.10154	2.5
127.03938	23.5
133.04953	14.4
134.06042	3.4
137.06046	2.9
145.04970	44.3
147.04425	4.2
149.04573	2.9
149.09625	2.9
150.07664	8.8
158.06036	4.5
163.05995	15.4
167.05542	12.3
176.06892	2.3
179.10840	3.0
199.05901	1.8
203.07048	4.9
205.88492	2.0
209.11676	2.5
223.06142	4.9
225.04243	4.3
227.12822	2.7
231.06598	2.8
239.12617	2.4
241.07137	5.6
249.14993	2.8
259.08023	14.8
266.10226	23.2
283.15387	2.8
359.02844	18.2
387.16446	6.4
401.17899	5.2
428.15759	2.4
445.20483	68.0
446.14127	2.7
446.20584	5.7
456.98853	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	445.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19264	1.3
54.97560	1.3
55.05500	1.8
56.66905	1.8
57.03434	2.1
61.02910	1.4
69.03419	3.6
69.07069	1.5
70.06574	1.8
70.72083	2.1
72.08119	2.3
73.04758	28.5
79.05470	1.8
81.03410	1.6
82.06559	1.4
83.04939	1.6
84.08152	1.5
85.02899	4.9
86.09658	1.4
87.04484	1.5
91.05805	50.1
92.05709	1.5
94.06548	1.7
95.05021	1.5
95.08604	1.6
97.02858	4.3
98.97569	4.2
107.04930	2.0
109.02853	1.5
116.98604	2.2
119.04910	2.4
122.10492	1.3
127.03906	1.9
136.07506	2.0
137.06030	1.8
147.04405	5.2
149.04460	4.7
157.75943	1.3
163.03896	2.4
167.05553	23.9
168.05629	1.5
177.05554	1.4
191.15495	2.1
220.06908	1.4
223.06363	1.9
225.04259	11.7
227.02148	2.3
255.06870	1.7
265.08069	1.8
265.19217	1.7
324.98544	1.7
325.13168	3.3
341.01913	2.0
342.99628	8.7
359.02835	36.9
360.02655	5.2
427.19730	2.5
429.08997	2.4
445.18347	100.0
446.18713	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	445.2044
Annotation	3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-6-YL]BENZAMIDE
Peak:m/z	Relative Intensity
55.05510	0.8
60.98080	0.6
68.36016	0.6
69.03411	2.3
70.06592	1.0
71.29588	0.6
73.04752	6.5
78.61399	0.6
79.05489	1.1
81.03416	1.2
83.04958	1.2
84.08145	1.0
85.02900	2.0
85.06542	1.1
86.09704	1.5
91.05812	10.9
95.04938	1.3
97.02883	1.4
97.06495	0.8
99.04482	0.6
109.02866	0.7
112.21416	0.7
119.04946	0.9
119.08567	1.1
121.02831	0.8
125.02124	2.4
125.09541	0.7
127.03961	1.5
131.08537	0.7
145.04985	1.0
147.04382	5.5
149.04475	1.0
163.03902	0.9
164.07071	0.8
167.05524	5.7
173.04478	0.7
180.06543	1.4
181.12129	0.8
203.05287	0.8
225.04327	2.6
239.12366	0.6
253.09897	1.1
283.15396	1.2
295.05933	2.4
301.11942	4.1
315.09781	0.9
342.99777	1.9
343.17239	96.2
344.17560	6.0
349.07101	0.7
359.02747	9.0
359.16583	0.8
359.98737	0.7
360.02924	2.4
383.16086	3.8
401.17938	4.1
445.15961	19.9
445.20370	100.0
446.15939	2.6
446.21396	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	445.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00757	0.5
57.03444	0.6
67.05519	1.0
69.03443	1.4
70.06612	0.8
71.20467	0.5
71.55046	0.4
73.04758	8.1
79.05496	0.8
81.03453	1.3
81.07072	0.7
83.04995	0.9
84.08128	0.4
85.02917	2.2
85.06563	0.7
91.05805	14.1
91.06343	0.8
93.03744	0.6
93.07047	0.6
95.04996	1.4
97.02914	1.9
97.06538	0.5
99.04457	0.5
107.08595	0.5
109.02884	0.9
114.07374	0.6
119.04981	1.0
121.02910	0.8
127.03934	1.0
147.04453	2.8
149.04535	1.8
149.09657	0.5
163.03893	0.5
167.05557	6.1
180.06665	0.4
197.11621	0.5
205.86818	0.5
209.11659	0.6
225.04248	3.8
227.02306	0.9
231.13808	0.4
239.12567	6.9
265.68048	0.5
281.14014	0.6
281.67725	0.5
283.05960	0.7
283.15265	2.1
341.02051	0.7
342.99878	1.7
343.17282	2.7
359.02844	10.3
360.03015	2.0
371.16864	0.5
401.17838	53.2
402.18115	3.3
429.09091	0.5
445.20569	100.0
446.20782	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	445.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50063	2.0
53.03941	8.9
55.01877	16.4
55.05517	26.8
57.03440	33.1
58.06600	41.9
59.04992	5.9
59.06924	5.9
59.07388	13.6
60.08159	9.7
61.02930	53.4
63.28662	2.1
63.29017	2.3
65.03944	2.3
67.05515	19.0
69.03434	33.2
69.07066	9.0
71.01361	5.5
71.04985	8.5
71.74966	2.7
73.02923	25.6
73.04729	2.4
75.04488	5.1
79.05493	29.3
81.03419	47.4
81.07059	19.2
83.01354	15.0
83.04986	25.2
83.08613	16.4
85.02907	56.9
87.04456	12.3
91.03951	29.5
91.05442	15.2
93.07052	32.1
94.07383	2.9
95.04978	10.7
95.08616	8.8
97.02892	52.5
97.06523	10.2
97.10180	2.8
99.04458	15.7
101.02374	12.4
103.03938	6.9
103.41058	2.1
105.07037	11.0
107.04957	15.7
107.08604	18.2
109.02894	13.8
109.06507	9.3
109.10149	5.6
111.04430	13.1
111.08073	5.6
115.03938	6.6
117.07027	9.3
119.08572	10.3
121.06503	5.5
121.10118	15.3
123.08075	9.8
125.09688	5.1
127.03918	25.7
129.05476	3.7
131.07034	3.1
131.08572	4.3
135.08041	3.6
135.11707	16.4
137.09633	3.9
144.10188	5.3
145.04971	8.5
145.10132	23.9
146.10513	2.9
147.08110	3.2
149.09668	4.5
153.12767	13.2
162.11255	3.1
163.11182	45.7
167.05661	2.7
173.09593	7.7
181.12230	13.3
183.06601	5.5
191.10689	14.1
201.07571	4.5
209.11736	28.6
210.12112	3.0
219.09093	3.9
227.12788	23.2
236.14926	75.7
237.15292	67.1
283.15405	74.4
284.15640	3.5
329.01898	2.1
340.71851	2.4
359.03024	2.7
427.19611	12.9
427.25171	29.8
445.20844	4.2
445.26233	100.0
446.26474	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	445.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03642	1.6
53.03948	8.5
55.01873	23.4
55.05511	27.0
57.03439	32.4
57.07082	2.8
58.06318	2.8
58.06596	42.3
59.04997	4.2
59.06910	3.1
59.07392	11.8
60.08164	10.5
61.02927	41.6
65.03928	2.5
67.05505	24.7
69.03090	2.7
69.03430	38.2
69.07057	7.6
70.66226	1.8
70.66559	2.9
71.01348	5.1
71.04993	11.5
71.97778	1.6
73.02915	21.7
73.04748	9.9
75.04469	6.3
79.05498	26.1
81.03419	56.8
81.07050	25.5
83.01339	11.5
83.04978	32.4
83.08606	15.8
84.08155	2.3
85.02904	61.6
85.06544	3.8
87.04465	7.2
91.03955	22.8
91.05466	14.5
91.05867	6.7
93.07043	37.1
95.04952	13.9
95.08617	14.7
97.02283	3.0
97.02895	50.5
97.06533	11.5
97.10172	1.8
97.37807	1.6
99.04459	18.6
101.02363	10.2
103.03946	10.0
105.07024	14.7
107.04962	13.8
107.08590	22.4
109.02889	22.3
109.06512	8.4
109.10159	7.6
111.04433	24.3
111.08072	6.2
113.05984	2.5
115.03911	3.7
115.05436	2.3
117.05493	1.7
117.07020	18.4
119.08566	15.2
121.02814	1.8
121.06505	6.1
121.10129	14.3
123.08064	7.2
125.05975	4.0
125.09603	3.9
127.03914	29.3
129.05505	4.9
129.07011	4.7
130.07793	1.7
131.07039	3.3
131.08545	6.9
133.10139	2.8
135.08092	1.7
135.11696	24.1
137.09627	2.8
143.08600	2.4
143.98244	1.6
144.10185	9.1
145.04961	6.8
145.10114	21.8
147.08060	4.1
147.11639	1.9
148.23064	2.0
149.09634	4.4
153.12724	18.7
155.08559	4.0
159.06529	2.1
159.27077	1.8
162.11264	5.6
163.04037	1.6
163.11180	49.0
167.05557	7.6
173.09621	9.6
181.12219	25.3
183.06560	5.3
191.10667	21.0
201.07515	3.8
209.11710	30.1
225.04277	2.0
227.12776	39.2
236.14926	100.0
237.15239	26.7
252.61102	1.7
283.15387	72.0
284.15671	3.5
311.14810	4.8
322.89087	1.9
325.16528	2.3
342.99786	2.3
353.15683	4.2
359.02765	9.5
366.10028	1.9
427.19400	12.4
427.25107	11.5
428.20975	2.5
428.26456	21.0
445.20325	8.8
445.26291	44.6
446.27463	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	445.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	2.8
55.05496	4.8
65.86664	2.8
65.90453	2.6
67.05511	3.8
69.03437	10.3
70.06568	3.1
71.28913	4.7
73.04757	54.6
81.03432	4.4
82.03776	2.6
83.04958	4.1
85.02898	9.0
91.05807	100.0
93.07055	6.9
95.04977	3.0
96.82256	3.1
97.02905	5.6
105.07006	3.3
107.08575	4.0
109.02902	3.4
119.08569	8.2
121.06458	4.9
123.08067	3.7
127.03919	4.3
131.08583	5.8
135.08084	8.6
137.09639	3.2
145.10187	4.9
147.04358	5.4
147.08034	4.1
149.04500	8.9
157.10048	3.3
159.08032	4.1
161.09653	4.9
163.03922	3.1
163.37190	3.2
165.09198	4.2
167.05542	52.3
175.07585	7.8
189.09207	3.0
201.12898	3.2
203.10645	4.9
205.12440	3.1
225.04327	19.3
227.02245	3.4
229.12173	3.6
247.13307	18.3
265.14334	43.6
266.14771	4.1
285.01135	3.5
289.08878	4.3
341.01788	3.3
342.99731	11.4
358.98639	5.7
359.02847	71.4
360.02792	10.7
413.12460	10.7
445.15173	16.8
445.20633	21.3
454.20963	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3675
Annotation	Topsentisterol C4
Peak:m/z	Relative Intensity
53.03949	6.5
55.01901	4.2
55.05516	39.9
57.07076	52.1
57.86350	3.8
65.36419	5.0
67.05502	35.3
67.06472	5.0
69.07067	76.0
69.11277	9.0
69.11686	25.0
71.08646	34.2
79.05489	38.0
81.07059	89.1
83.08615	37.2
85.10199	18.9
91.05469	35.0
93.07041	56.4
95.08607	100.0
97.10162	27.2
98.22591	8.1
100.13495	4.0
104.78652	4.0
105.07032	63.6
106.07400	4.8
106.36414	4.7
107.08595	62.2
109.06506	9.9
109.10158	59.0
111.11729	17.8
113.86130	5.2
117.07032	13.6
119.08586	56.9
120.80940	5.0
121.06539	4.8
121.10137	55.3
123.08074	5.5
123.11713	27.8
129.07004	7.3
131.08580	42.7
133.10132	51.6
135.11679	35.1
137.13307	7.9
139.07565	7.0
143.08571	13.1
145.10120	46.6
147.11665	46.4
149.13254	23.7
155.07072	15.4
157.10141	17.5
159.11705	27.8
161.09608	6.3
161.13264	25.2
163.14859	15.7
165.09148	13.2
171.11694	11.8
173.13263	18.5
175.14853	17.7
177.09116	8.5
185.13260	16.6
187.14841	19.4
189.16394	9.7
191.10684	15.5
193.12260	7.4
198.98712	4.3
199.14801	12.1
201.16429	8.3
203.17984	16.7
205.12161	6.8
219.13843	10.1
227.14398	6.0
227.17863	8.0
233.22839	6.9
245.15535	9.6
247.24232	8.5
256.67920	5.9
273.18591	8.3
276.35553	6.2
287.20047	15.5
305.21136	7.9
333.05548	5.3
341.32077	11.7
343.33600	32.1
409.34985	6.4
416.45712	4.5
427.35764	45.6
445.36838	67.7
446.36667	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	445.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69648	3.3
53.03944	6.4
54.69995	3.0
55.01873	10.7
55.05509	43.2
57.07076	47.0
67.05505	20.9
69.07070	68.3
71.08621	25.9
79.05518	18.0
81.07057	61.9
83.04989	6.6
83.08620	56.9
85.10177	16.4
85.64095	3.1
91.05472	8.3
93.07047	40.4
95.08603	45.2
97.06517	6.1
97.10166	28.4
107.08602	24.7
109.06518	6.0
109.10157	21.6
111.08079	12.0
111.11728	18.3
119.08569	6.5
121.06512	7.5
121.10133	15.3
123.08076	9.2
123.11721	13.1
125.09597	4.9
125.13314	4.6
131.92351	3.1
135.08060	3.6
135.11714	15.8
137.05966	17.7
137.13249	6.5
139.07538	100.0
139.08609	5.9
140.07948	3.5
147.11659	5.1
149.06041	4.4
149.09581	5.5
149.13237	16.2
151.07539	5.4
163.14798	16.8
165.05453	14.2
165.09088	18.5
167.07036	4.6
175.11244	6.9
177.09128	7.1
177.16354	6.4
183.25798	3.8
189.12689	4.7
193.08585	15.6
203.10707	9.5
217.12207	5.8
219.13872	3.9
221.11632	5.1
231.13794	5.4
289.28906	12.5
307.29965	17.2
436.65527	3.7
445.36755	42.7
457.49286	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	446.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
55.01858	1.4
57.03429	2.2
61.02921	2.0
65.03971	1.4
68.85344	1.1
69.03423	12.4
69.20227	5.0
69.20632	1.9
73.02917	3.1
73.04759	7.0
79.05514	1.5
80.05026	1.8
81.03418	6.8
81.07041	1.4
84.04499	2.0
85.02909	15.0
87.00842	2.6
87.04472	2.1
91.05884	8.9
91.91975	1.1
95.04974	2.5
96.04511	2.5
97.02895	12.0
98.23389	2.2
99.04463	4.7
105.01868	3.6
105.10760	1.1
107.04975	2.0
109.02876	4.0
118.06618	1.1
119.04949	12.9
119.08522	1.5
121.06554	2.3
122.06038	1.4
123.04436	14.4
124.07589	1.3
127.03899	11.7
130.06554	3.4
133.06454	1.2
135.04436	2.1
138.05513	1.3
144.08136	1.6
145.02855	1.3
145.04965	4.9
146.05991	3.1
147.04407	100.0
148.04718	3.1
159.02876	1.5
163.03906	16.0
164.10733	3.3
165.05492	7.0
167.05576	4.8
181.04988	1.4
182.09616	1.5
187.05931	1.4
188.07018	2.2
192.10190	1.6
221.09091	2.4
221.10941	1.7
223.12247	1.3
225.04359	1.3
231.04951	2.3
265.08121	8.6
267.08514	5.2
267.11325	4.2
269.12817	5.5
285.12216	6.8
309.09689	15.2
310.10110	1.3
343.99991	1.3
359.02713	2.5
360.02878	5.2
361.02731	1.6
415.15826	1.6
446.20624	3.8
447.18094	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	446.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02378	1.7
54.67776	1.8
56.96574	3.7
58.82274	1.9
69.03431	6.5
69.39707	8.8
69.40117	3.6
70.06592	10.0
71.06939	2.6
73.04754	12.3
80.05019	2.3
81.03445	3.1
81.64117	1.7
82.12333	1.8
84.96052	2.2
85.02903	9.4
91.05825	17.6
94.06552	2.5
97.02913	3.9
98.97593	4.2
103.05482	7.0
107.04947	3.5
109.02872	2.4
110.97635	2.1
112.07624	7.2
113.51266	1.9
120.08108	100.0
121.08499	2.3
124.07589	21.0
126.09171	3.5
127.03939	4.2
131.04941	2.1
135.04457	3.5
135.45242	1.8
139.03879	2.8
142.08688	2.8
149.06026	2.2
152.07114	7.1
158.99779	2.4
166.08646	46.0
167.05573	6.1
167.09007	2.6
167.70265	1.9
168.05553	2.3
171.63283	2.0
181.05022	2.4
198.07594	11.1
284.15036	6.0
285.14395	3.7
297.07367	2.9
351.27478	1.8
360.02771	10.1
361.02643	2.2
402.30026	2.1
446.10458	2.4
446.19992	28.2
447.14484	6.7
447.20480	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	446.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93820	0.4
53.03916	0.4
55.01855	1.0
55.05514	2.0
57.03438	8.3
58.06601	35.5
59.07384	12.1
59.22853	0.5
60.08167	10.4
61.02908	1.0
65.03928	0.4
67.05499	2.5
69.03393	0.9
69.07047	0.9
69.19556	2.7
71.04980	0.5
73.02898	1.7
73.04712	0.5
75.04485	4.3
79.05492	3.1
79.13604	0.4
81.03407	2.9
81.07066	3.3
83.04958	1.7
83.08603	0.6
84.08147	0.4
85.02901	6.3
87.04475	5.0
89.30444	0.4
91.03882	0.3
91.05431	3.4
93.05503	0.5
93.07049	2.0
95.04971	1.9
95.08575	1.6
97.02859	0.8
97.06518	0.9
99.04445	0.7
99.81274	0.4
100.11240	0.4
103.03915	1.2
105.05479	1.1
105.07027	1.3
107.08590	1.0
109.02869	0.8
109.06499	0.8
109.10128	0.8
111.08065	0.4
113.05952	0.9
116.10702	0.4
117.06984	1.1
119.08556	2.4
121.10158	1.0
123.08038	0.5
127.03891	0.5
129.06981	0.6
131.07031	1.6
131.08568	0.7
133.10152	0.7
141.63078	0.4
144.10193	8.6
145.10136	0.6
147.11664	1.0
149.09572	0.4
157.10103	0.8
162.11261	4.6
163.11223	0.6
171.11766	0.6
175.11090	0.6
189.72211	0.4
191.10789	0.4
193.12215	0.5
197.11662	0.5
218.13911	0.9
218.18819	0.4
221.15666	0.4
231.13820	1.0
236.14919	100.0
237.15250	4.4
249.14854	0.8
284.15805	0.6
285.16959	0.4
331.28955	0.4
384.27182	0.4
410.25519	2.0
428.26425	28.0
429.26901	2.3
446.27472	67.3
447.27856	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	447.238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.7
53.03948	4.3
54.58385	0.7
55.01876	12.7
55.05513	15.6
55.27215	0.6
57.03432	6.3
57.07077	1.2
59.05001	2.0
61.19119	0.7
65.03940	3.6
67.05508	32.3
68.05848	0.8
69.03438	4.5
69.07073	8.6
71.01348	1.3
71.04990	6.5
79.05497	39.3
81.03421	45.5
81.07060	25.1
83.01356	5.4
83.04985	12.5
83.08627	8.1
85.02903	3.0
85.06542	1.9
91.05482	100.0
92.05812	2.7
93.07049	39.1
93.76641	0.7
94.07435	0.9
95.04369	1.1
95.04970	13.3
95.08047	1.4
95.08613	14.0
97.02879	5.5
97.06526	6.5
97.10175	3.5
99.04459	3.0
103.05461	2.7
105.03389	1.0
105.04519	1.5
105.07032	20.1
105.88601	0.8
106.07370	0.8
106.35496	0.7
107.04959	20.4
107.08591	13.1
109.02859	1.0
109.06533	7.6
109.10159	5.6
111.04456	3.1
111.08073	1.9
115.05466	3.8
117.06203	1.5
117.07025	23.3
119.08588	55.9
120.08913	2.0
121.06506	8.6
121.10147	9.4
123.08073	8.2
125.05920	1.0
125.09636	2.5
128.06219	3.0
129.05511	0.9
129.07010	9.2
130.07823	0.9
131.04930	1.3
131.08574	6.3
133.06467	2.2
133.10127	5.7
135.08063	16.0
135.09091	0.9
135.11694	11.3
137.09622	16.7
139.07512	0.8
139.11227	1.8
141.06961	0.8
143.08565	4.5
145.06494	2.9
145.10127	12.9
147.08055	23.6
147.11684	2.5
149.02330	2.0
149.09627	2.3
153.12772	4.1
155.08533	2.4
157.06566	1.4
157.10092	4.0
159.11682	1.0
161.05995	0.9
161.09604	2.4
163.07550	1.9
163.11198	19.8
163.12505	0.7
165.09125	21.1
167.08533	1.0
169.10159	0.9
171.08005	1.2
171.11755	1.0
173.09627	3.9
175.11195	2.0
181.08560	1.0
181.12202	4.2
183.07997	0.7
183.10139	2.0
185.09637	1.7
189.09059	1.0
191.10725	5.5
193.12221	3.3
197.09637	1.2
203.10658	1.3
209.11697	5.7
211.11107	0.9
215.14249	0.9
227.10815	1.2
227.12679	5.3
229.12108	1.0
232.72224	0.7
239.12688	2.3
265.14453	2.3
271.13315	0.8
283.15417	16.2
284.15677	1.0
289.14383	0.9
309.18423	1.7
319.16907	1.0
326.45853	0.9
337.17816	2.7
355.11914	1.0
355.18954	4.6
355.22784	1.0
361.02795	0.9
429.22696	6.5
447.23611	25.8
447.34125	1.2
448.24014	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	447.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.7
55.01874	11.7
55.05514	16.3
57.03440	4.0
57.07068	1.7
58.22490	0.6
59.04971	0.7
60.50097	0.6
65.03934	5.4
67.05506	45.0
68.05843	0.7
69.03422	3.9
69.07071	10.5
71.04991	3.6
77.03920	1.3
79.05493	70.2
80.05824	1.1
81.03420	33.0
81.07058	30.4
82.03726	0.8
83.01344	3.4
83.04983	16.7
83.08195	0.9
83.08627	6.0
85.02901	1.7
85.06551	1.9
91.05479	100.0
92.05810	2.4
93.07043	42.3
94.07375	1.2
95.04969	18.2
95.08608	12.0
97.02888	2.5
97.06540	6.6
97.10173	3.9
98.23450	1.2
99.04455	0.8
99.08083	2.1
103.05463	2.0
104.66142	0.7
105.03403	1.4
105.04498	2.5
105.07031	30.0
105.54299	0.7
107.04956	19.3
107.08601	26.4
109.02872	1.9
109.06521	7.5
109.10174	4.0
111.04429	1.5
111.08099	3.2
113.05991	0.8
115.05462	9.7
117.07022	45.0
118.07343	1.7
119.04906	1.9
119.06080	0.7
119.08585	21.3
120.08917	0.8
121.06518	5.1
121.10139	5.2
123.04420	1.2
123.08061	2.9
123.11699	0.6
125.02374	1.9
125.09657	4.1
127.07556	1.4
128.06223	2.4
129.07004	12.3
131.04941	1.2
131.08557	12.3
133.06517	4.3
133.10132	20.4
134.10492	1.0
135.04416	1.5
135.08054	46.3
135.11696	6.0
136.08333	0.8
137.05959	1.3
137.09579	3.3
141.06990	2.2
142.07771	3.0
143.07027	1.2
143.08540	3.1
145.06479	5.0
145.10094	5.5
147.04439	1.5
147.08057	5.2
147.11682	10.5
149.02324	1.9
149.05917	1.2
149.09593	4.6
151.07515	0.9
153.09076	1.4
155.08566	1.9
157.06451	1.5
157.10129	12.3
159.04352	1.0
159.08047	1.9
159.11609	1.3
160.05246	1.4
161.05978	2.5
161.09554	1.1
163.03931	0.9
163.07550	7.6
163.11174	4.3
165.09174	2.0
165.12703	0.8
169.10072	1.3
171.08138	1.2
171.11632	1.2
173.09587	1.6
175.11191	10.3
177.09064	0.7
179.08505	0.8
181.08560	3.1
181.10060	1.2
185.09569	1.8
185.13292	1.0
189.11174	1.7
189.12781	1.1
191.10617	0.9
193.12248	15.3
197.09593	1.8
199.07588	0.9
199.09599	1.7
199.11261	0.9
201.08992	0.9
203.10654	0.9
203.14314	0.9
209.09641	0.7
211.07503	2.1
211.11182	1.4
211.13168	1.4
225.09059	0.9
225.12740	0.7
227.10898	0.9
237.11235	0.9
243.10075	2.2
255.12206	2.6
261.11221	1.0
267.15973	3.6
289.14276	1.4
309.18402	1.1
327.19388	3.2
337.17917	4.9
355.19012	18.3
356.19284	1.6
373.19913	4.0
393.20364	1.4
403.21082	0.7
411.21396	2.4
429.22586	9.1
447.17972	1.4
447.23505	27.9
448.23813	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	447.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81904	1.7
53.03943	5.0
55.01873	14.2
55.05510	27.9
57.03437	11.3
65.03941	2.9
67.05507	38.8
69.03432	3.9
69.07071	19.9
69.92760	6.2
71.05003	4.2
72.34038	2.0
79.05497	64.4
79.05970	3.2
81.03416	44.2
81.07063	30.6
83.01334	2.0
83.04982	8.8
83.08620	12.7
85.02911	3.8
91.05469	45.9
93.07044	31.2
95.01314	2.9
95.04973	21.7
95.08607	15.1
97.02912	1.7
97.06537	9.1
97.10168	14.2
101.04736	1.8
103.05528	3.1
105.03413	1.9
105.07031	23.9
107.04951	15.9
107.08593	23.6
109.02894	9.0
109.06525	9.3
109.10142	9.7
111.08089	3.2
111.21660	1.6
115.05468	6.7
117.07018	26.0
119.04939	6.2
119.08578	21.9
120.21318	1.5
121.02921	2.3
121.06526	11.2
121.10128	8.9
122.66444	1.6
123.04411	3.9
123.08042	4.1
125.02361	7.1
125.05989	2.4
125.09627	11.2
128.06281	2.7
129.06998	16.6
131.04939	6.7
131.08539	14.5
133.06483	10.1
133.10161	6.9
135.04396	4.7
135.08058	23.3
135.11688	6.1
137.05962	3.7
137.09639	7.6
141.06956	10.3
142.07761	3.2
143.07062	5.9
143.08583	7.9
145.06483	13.6
145.10112	12.3
147.04384	10.7
147.08031	9.9
147.11740	3.4
149.02385	6.2
149.09657	6.0
153.06998	3.1
154.07776	1.8
155.08524	10.7
157.06525	6.8
157.10172	8.1
159.04407	2.7
159.08052	7.2
159.11714	5.0
160.05199	4.6
161.05983	19.2
161.09541	3.7
163.03957	3.8
163.07526	11.8
163.11188	6.9
165.06979	6.0
165.09093	6.0
167.08598	6.1
169.06506	4.8
169.10091	4.2
171.08034	8.4
171.11731	2.3
173.06001	6.1
173.09615	8.4
173.11765	2.8
175.07533	4.8
175.11140	7.9
177.09135	2.1
179.08539	2.1
181.08560	3.9
181.10007	1.8
183.08098	6.0
185.06061	2.8
185.09604	9.3
187.07597	5.1
187.11195	3.4
189.09138	3.0
189.11227	5.8
191.07062	2.0
191.10657	4.5
193.10452	2.4
193.12277	9.3
195.08025	2.6
197.05994	3.0
197.09639	6.6
199.07520	4.2
199.11243	4.2
201.09190	6.1
203.10706	4.6
208.68349	1.7
211.07524	9.1
211.11159	3.9
213.12665	2.0
215.10713	3.5
223.11281	2.4
225.09117	4.7
225.12766	3.0
227.10722	4.1
229.12228	2.9
231.13782	2.8
239.10661	1.9
241.12244	4.5
243.10210	12.1
243.13811	4.0
253.12440	1.9
259.13278	3.9
261.11246	5.2
271.13284	6.9
273.14862	3.8
289.14346	21.7
290.14655	1.7
291.17468	1.9
299.19937	2.2
309.18454	7.7
319.16718	3.3
327.15915	2.8
327.19449	17.7
337.14111	3.3
337.17963	24.6
355.19043	100.0
356.19281	9.7
361.02731	3.0
367.19144	2.4
373.20059	17.2
383.22693	2.2
391.21133	2.8
393.20612	4.6
403.21127	5.1
411.21616	11.3
429.22723	47.7
430.23187	2.9
447.17874	4.0
447.23761	70.5
448.24142	7.8
448.30597	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
53.03942	1.8
55.01639	1.5
55.01878	19.2
55.05240	1.0
55.05516	42.4
57.03440	54.7
57.07081	16.0
57.57980	0.8
64.79995	0.7
64.99641	0.8
67.05507	16.8
69.07073	41.0
69.38840	4.6
70.06607	4.2
70.07404	1.6
71.08636	12.4
73.02911	1.6
73.90688	0.8
79.05495	8.3
81.03412	1.0
81.07065	16.6
83.04977	1.7
83.08624	37.3
84.08938	1.4
85.10174	3.5
88.07635	1.6
88.30013	0.8
91.05473	4.0
93.07043	8.7
95.04958	1.5
95.08609	12.8
96.51910	0.9
97.06525	3.7
97.09547	1.3
97.10178	24.0
98.23370	0.8
98.98470	78.2
99.08117	0.8
105.07017	2.1
107.08588	7.1
109.10174	5.1
111.08122	2.5
111.11722	6.0
116.99511	1.1
121.10148	10.3
123.11723	2.2
124.51726	1.0
125.00018	1.2
125.13275	1.3
129.05464	0.9
131.08624	1.1
132.10220	2.0
133.10126	1.4
135.11725	6.2
136.99997	88.7
137.13289	2.2
138.00363	1.0
146.11751	2.0
149.13278	2.0
151.03868	1.1
155.01050	71.3
160.46410	0.9
178.02614	1.5
193.02631	13.9
211.03694	13.5
219.21065	1.6
223.72144	0.9
224.81903	0.9
237.22150	17.0
293.24783	1.8
311.25812	63.9
312.26242	4.6
341.35962	0.9
384.38309	5.1
385.38571	3.9
446.42117	12.5
447.25092	100.0
447.42130	8.7
448.25446	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	448.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35757	0.8
53.03939	0.9
55.01876	1.4
56.96578	1.0
57.03426	3.8
69.03423	3.6
70.06567	1.0
73.04748	0.9
74.19227	0.8
75.04492	1.7
78.22414	0.9
79.05517	0.8
81.03410	2.0
81.07045	0.9
84.04498	3.3
85.02890	5.9
89.03930	5.0
91.05491	1.9
93.07043	0.9
97.02888	3.7
98.97592	1.4
105.01866	0.8
107.08579	1.5
109.02921	1.1
117.03357	12.9
119.04990	1.2
123.04405	1.3
127.03938	1.8
130.04959	1.2
134.03587	1.2
135.04390	1.4
135.08093	1.0
138.03688	1.5
140.05212	1.0
145.02838	48.0
145.04744	1.7
146.03168	1.3
147.04434	1.5
149.05975	6.1
155.08572	0.9
162.03110	1.2
163.03928	3.0
166.03265	5.4
167.01697	1.2
177.05463	100.0
178.05814	3.1
181.55377	0.8
182.11755	1.6
187.07411	1.3
187.10851	0.8
193.04968	1.6
194.02661	1.2
195.06523	28.8
201.01656	0.9
215.07051	2.8
217.09924	1.0
223.05350	2.2
233.08026	1.2
233.11673	0.8
235.10847	4.0
237.02942	0.9
251.09158	18.0
251.16342	0.9
252.09216	0.9
261.12405	4.4
269.05807	4.0
269.10193	20.9
270.10400	1.0
286.16409	1.8
287.05432	6.1
301.08499	4.4
373.10703	1.8
389.14716	1.2
405.07877	2.7
419.32791	1.0
448.18253	2.0
449.06821	1.7
449.19836	1.3
456.75174	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	7.6
57.03430	13.4
61.13518	2.9
67.05502	5.7
67.32223	2.7
68.99809	2.8
69.03423	4.6
69.20090	12.4
69.20506	8.0
70.32524	3.4
75.04478	11.5
75.51848	3.1
76.87970	2.6
79.05483	3.4
81.03419	7.3
81.07043	4.3
82.93707	2.8
84.04506	14.4
85.02908	16.4
89.03920	4.8
91.05402	4.9
91.05870	3.4
95.05006	3.7
97.02888	8.2
98.97604	22.2
105.07003	3.2
116.98640	11.8
117.03389	11.4
127.03933	3.7
130.05023	4.0
134.03635	5.0
144.08058	4.0
145.01764	4.4
145.02856	37.2
149.05989	4.5
149.60614	3.2
149.63600	3.2
158.99690	3.3
159.03285	5.3
163.03906	12.3
177.05481	100.0
180.04163	14.6
187.07764	4.7
195.06526	66.3
227.09579	12.2
245.10609	16.7
250.14270	5.1
251.09258	17.6
259.11896	5.0
266.13821	8.0
269.10394	85.2
286.12741	6.2
287.05557	25.3
287.11618	26.3
290.99832	3.0
342.19217	6.2
389.14865	7.1
404.19052	5.0
407.15933	15.1
426.40814	2.9
448.18292	37.9
449.20517	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25490	0.8
53.68248	0.8
54.65364	0.8
56.80352	0.9
57.03428	4.3
69.03414	2.3
70.64589	1.8
75.04456	1.4
75.63762	0.9
81.03392	1.2
84.08198	1.0
85.02905	5.3
89.03912	4.9
89.08354	0.9
91.05449	1.0
97.02892	1.9
117.03381	17.2
127.03944	1.2
135.04401	1.0
145.02840	49.3
146.03094	2.3
147.04395	1.6
149.05963	6.0
153.01883	1.2
162.03120	1.7
163.03888	3.6
170.25169	0.9
177.05463	100.0
178.05853	4.4
178.85361	0.9
187.07431	0.9
193.05057	1.2
195.06526	36.5
215.07054	2.2
219.06496	2.2
233.08009	2.3
235.05383	1.0
251.09158	18.7
252.09442	1.4
268.11758	1.3
269.10208	20.0
269.12900	1.8
269.77502	0.9
287.05487	26.5
448.17758	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70364	0.5
55.01861	0.5
56.05023	1.2
57.04507	0.5
60.05619	1.5
69.68626	2.2
70.06574	0.9
73.87246	0.5
79.05450	0.7
83.06083	1.8
90.35338	0.4
91.05399	0.6
95.06076	1.1
99.05534	0.6
104.04953	0.8
105.03398	2.4
105.05817	0.9
106.06535	1.7
111.05556	6.4
112.08717	0.5
113.07110	1.7
120.03613	0.7
120.04463	13.2
121.04742	0.5
121.63419	0.5
123.05527	1.2
126.05763	0.7
126.06640	11.3
127.07395	0.7
132.04448	25.3
132.08080	0.8
134.05107	0.8
134.06026	9.8
135.06285	0.6
137.04732	2.5
137.05693	0.5
140.08131	1.5
145.03943	1.0
146.02403	1.3
147.05495	0.7
151.06145	10.4
161.07132	0.7
162.06549	0.6
167.37962	0.5
168.08800	2.2
185.07103	0.7
200.12802	1.1
202.09747	15.1
214.09746	0.8
215.08157	0.6
216.11319	3.8
230.09232	10.6
231.12389	1.5
232.10840	4.6
242.09241	3.7
248.73444	0.6
255.08859	0.6
257.10355	5.7
259.11905	89.0
260.12143	4.1
276.14630	0.5
276.51166	0.5
277.12842	2.5
284.11368	7.6
287.05460	1.5
301.14063	10.8
302.12476	33.9
303.12775	2.0
319.15128	3.2
362.02432	0.6
362.18277	1.3
406.17206	15.6
407.17258	0.7
430.18420	1.5
431.17017	0.9
448.19400	100.0
449.19775	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	448.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	20.6
67.05492	3.0
69.03422	6.4
70.66734	4.7
71.04984	2.0
75.36401	1.7
78.69921	1.6
78.70393	1.7
79.05486	4.2
79.13599	1.6
81.07043	3.3
83.04980	6.3
85.02901	10.0
91.05472	3.0
93.07039	4.3
95.04964	6.5
97.02920	3.1
97.06528	4.4
102.22237	1.8
105.07047	3.6
107.08603	6.9
109.06518	4.1
117.07036	1.7
119.08603	3.8
121.02850	2.1
121.10161	3.7
125.06002	7.3
131.08562	3.6
133.10135	3.3
135.08051	13.6
137.09645	3.1
143.08644	2.2
145.10158	3.6
147.04437	2.9
149.09622	26.8
149.72522	1.8
153.01825	4.4
161.09647	5.4
179.10649	22.7
180.11044	1.9
181.69701	1.8
186.50258	2.0
191.14310	1.7
215.14313	2.3
233.15396	4.7
251.14014	4.4
251.16412	100.0
252.16788	6.6
287.05496	52.1
293.23001	2.2
303.04938	5.5
328.05157	2.1
390.01468	1.8
448.12933	13.6
448.17874	10.6
448.32428	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	448.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.05513	3.6
57.02950	1.7
57.03428	4.5
58.06586	1.9
61.02937	2.2
67.05504	4.8
69.03423	7.5
69.07073	24.8
69.90936	6.7
70.06572	1.9
71.04952	2.3
73.02895	3.0
74.56417	1.6
79.05502	3.0
81.03405	3.4
81.07054	4.6
83.01393	1.6
83.04962	3.6
85.02902	12.8
86.09724	2.0
91.05474	4.8
93.07016	3.1
95.04966	8.0
95.08616	2.7
97.02896	35.2
97.06590	2.2
98.22755	2.6
105.07043	3.5
107.08585	4.1
109.02822	2.0
109.10160	2.3
111.04437	12.0
111.11709	9.0
112.34774	1.6
119.08585	5.0
121.02861	4.3
121.06631	1.5
121.10141	3.4
123.11719	4.5
127.03901	3.4
127.08194	1.5
131.08499	3.0
135.11671	4.0
139.11212	3.0
145.10048	2.1
146.06046	1.9
147.11670	3.9
153.00153	1.6
153.01823	4.9
153.09106	3.3
155.07053	1.9
157.04939	6.2
158.17561	1.6
159.11688	2.4
165.01855	2.2
174.23604	1.9
183.10168	3.4
219.31673	1.7
227.08183	4.5
233.15434	1.7
236.14941	5.8
251.16449	61.5
252.16756	4.8
269.09280	2.2
269.17450	12.7
275.55606	1.8
287.05511	100.0
287.10101	3.5
287.12650	3.0
317.06543	5.1
411.50577	1.5
416.26227	2.2
448.14929	3.1
448.28018	4.2
449.22430	7.9
454.04138	1.5
460.10165	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.7
55.46239	0.9
56.05840	1.2
57.07088	5.5
58.07425	0.9
67.05505	4.1
69.07059	6.5
69.99459	0.9
70.07398	1.7
71.08623	4.5
81.07057	2.2
83.08608	5.3
84.08959	1.0
85.10168	1.7
93.07023	1.6
95.08604	1.3
97.10165	3.6
98.10532	1.0
103.98238	0.9
107.08605	1.6
109.10177	5.3
111.11749	2.0
112.12045	1.4
119.08582	4.2
121.06505	11.9
122.07291	2.4
125.13274	1.1
135.08072	1.4
136.08850	14.4
137.09627	14.1
139.07520	1.7
140.07835	1.6
146.42427	0.9
149.09628	2.6
151.07536	1.5
152.08203	1.3
153.09134	1.0
164.08342	33.6
165.09117	100.0
166.09409	4.6
169.08629	1.1
170.86362	1.0
177.09087	1.3
181.08597	2.2
182.08940	1.8
190.61327	0.9
191.10701	1.1
197.09555	0.9
205.12257	7.9
214.74182	1.0
228.86644	1.2
232.92233	0.9
430.38052	69.6
431.38419	7.7
448.38467	6.1
449.39185	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94782	0.2
53.03939	1.0
55.01865	0.6
55.24717	0.2
57.03431	1.0
61.02931	1.7
64.42573	0.2
67.05488	0.3
68.99794	0.9
69.03429	3.9
71.05008	0.5
73.02908	0.7
74.24298	0.2
79.05518	0.6
81.03425	2.1
81.07051	0.4
83.01334	0.4
85.02905	9.9
87.04474	0.4
91.03960	0.6
91.05476	0.5
93.07053	0.3
95.04966	0.3
97.02899	3.1
99.04411	0.5
101.02482	0.3
105.03396	0.4
105.07017	0.4
107.04939	0.8
109.02877	1.6
111.00812	1.2
111.04428	0.2
121.02859	3.6
121.06473	0.2
127.03925	2.0
127.84271	0.3
131.92465	0.2
133.02841	0.6
137.02361	1.2
145.04961	1.3
145.06541	0.3
147.04434	1.2
149.02399	0.4
153.01814	5.6
154.02194	0.4
157.06480	1.0
161.06050	0.5
165.01848	2.0
171.04475	0.5
183.02916	1.3
185.06001	0.6
213.05472	2.1
229.04802	0.3
231.06465	0.5
241.04973	1.0
258.05231	1.6
259.06067	0.4
269.04388	0.4
269.10541	0.4
286.04486	0.3
287.05484	100.0
288.05823	6.0
299.05542	1.1
303.04962	0.6
329.06516	1.2
353.06628	0.4
413.08630	0.3
449.14194	2.7
449.19302	0.4
450.14276	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1076
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
51.96305	0.3
53.03939	0.7
55.01866	0.5
57.03426	1.2
61.02920	1.5
63.08388	0.2
66.31943	0.3
67.05489	0.4
68.99784	0.9
69.03425	3.7
70.06595	0.3
70.10144	0.2
71.04993	0.4
71.27144	0.3
73.02899	0.6
74.66591	0.2
77.51456	0.2
79.05493	0.6
81.03424	1.7
81.07067	0.4
85.02905	9.8
87.04480	0.3
91.03945	0.7
91.05443	0.4
95.04970	0.3
95.08603	0.3
97.02890	3.1
99.04445	0.9
105.03414	0.5
105.06999	0.4
107.04938	0.7
107.08600	0.3
107.77395	0.2
109.02868	1.4
109.06482	0.3
111.00783	1.1
119.08640	0.4
121.02866	3.9
127.03905	1.9
128.06287	0.3
133.02821	0.7
135.07988	0.2
137.02319	2.1
137.05966	0.3
145.04921	1.4
145.06551	0.5
147.04407	1.3
147.11781	0.3
149.02304	0.3
153.01811	5.0
157.06425	0.7
159.11694	0.3
161.05968	0.5
165.01811	2.6
171.04428	0.4
179.10562	0.3
183.02901	0.9
185.05954	0.9
201.05312	0.3
213.05424	1.8
229.04967	1.0
231.06543	0.9
241.04982	0.9
251.16342	0.7
257.04517	0.5
258.05371	1.3
268.26303	0.3
287.05478	100.0
288.05817	5.2
299.05554	1.1
303.04974	11.6
304.05304	0.8
329.06473	0.9
413.08472	0.4
432.36728	0.3
449.14120	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	449.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.5
55.01878	0.5
57.03431	1.0
58.77962	0.1
59.04982	0.1
61.02927	1.3
65.03937	0.2
67.01869	0.1
68.99783	1.1
69.03428	3.6
70.66824	0.2
71.01377	0.1
71.04983	0.4
73.02926	0.6
79.05479	0.3
81.03418	1.7
83.01341	0.2
85.02904	9.5
86.03219	0.1
87.04459	0.4
91.03956	0.5
91.05470	0.1
95.04977	0.1
97.02895	3.2
99.04452	0.6
103.05440	0.1
105.03387	0.6
107.04948	0.6
109.02879	1.2
111.00806	0.9
111.04422	0.2
121.02866	3.8
121.03860	0.2
121.33214	0.1
122.03187	0.1
127.03928	1.5
129.07005	0.2
133.02890	0.6
135.04427	0.2
137.02319	1.1
145.04955	1.4
145.06435	0.3
147.04420	0.7
153.01828	5.9
154.02199	0.2
157.06471	0.7
161.05936	0.3
165.01830	2.1
169.06462	0.1
171.03156	0.1
171.04396	0.5
175.03925	0.1
175.07542	0.1
179.03383	0.1
183.02866	1.1
185.05937	0.6
189.05484	0.2
197.05943	0.3
201.05486	0.2
203.03268	0.1
203.07007	0.2
213.05449	1.9
216.04030	0.1
223.04193	0.1
229.04962	0.1
231.06543	0.9
241.04909	1.1
243.06430	0.1
258.05264	1.5
259.05933	0.5
269.04245	0.2
269.11337	0.1
287.05478	100.0
288.05820	4.7
299.05426	0.5
300.06406	0.1
329.06500	0.4
339.09024	0.1
353.06323	0.2
449.10410	0.1
466.30368	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	449.1076
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03932	0.1
55.01856	0.1
63.40945	0.1
65.03928	0.1
67.01862	0.1
67.05470	0.1
68.99787	0.8
69.03418	0.3
70.06605	0.1
70.34332	0.2
71.04947	0.1
79.05483	0.2
81.03412	0.2
81.07068	0.1
84.04492	0.1
84.08128	0.1
85.02884	0.2
91.05474	0.1
91.25589	0.1
93.07024	0.1
95.04943	0.1
97.02858	0.1
98.97578	0.1
101.09280	0.1
103.05451	0.1
105.03389	0.6
105.07047	0.1
107.04964	0.5
107.08587	0.1
109.02882	0.6
111.00805	0.9
111.04417	0.2
117.06979	0.1
119.04925	0.1
121.02860	3.2
121.03825	0.2
122.03175	0.1
127.03878	0.2
129.07043	0.1
130.05008	0.1
131.04993	0.1
133.02834	0.6
133.06544	0.1
135.04384	0.2
137.02333	1.1
141.06964	0.3
145.04959	0.1
145.06473	0.3
147.04382	0.8
153.01817	5.3
154.02127	0.2
157.06490	0.5
161.05997	0.2
163.03833	0.1
165.01825	2.3
166.02570	0.1
169.06490	0.2
171.04407	0.4
173.05910	0.1
174.06383	0.1
175.03870	0.1
177.05533	0.1
183.02907	1.1
185.05901	0.6
187.07430	0.1
189.05496	0.2
197.05981	0.2
203.03284	0.1
203.07069	0.2
213.05467	1.8
217.04916	0.1
229.05025	0.1
231.06538	0.8
241.04927	1.2
243.06483	0.2
245.21582	0.1
258.05246	1.5
259.06009	0.7
269.04398	0.2
269.10574	0.2
270.04874	0.1
287.05472	100.0
288.05801	5.2
389.14932	0.1
449.10208	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1078
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03947	0.7
55.01864	0.6
55.39474	0.1
57.03444	0.8
61.02930	1.6
62.15068	0.1
67.01849	0.2
68.99782	0.8
69.03091	0.2
69.03434	3.5
70.56237	0.2
70.56545	0.2
71.04996	0.4
73.02921	0.7
79.05490	0.2
81.03423	1.9
83.01273	0.2
85.02904	9.4
87.04450	0.3
91.03946	0.4
91.05458	0.2
97.02895	3.1
99.04463	0.3
105.03394	0.5
107.04958	0.4
109.02882	1.0
111.00781	0.8
119.04992	0.2
121.02863	3.3
127.03896	1.5
129.07021	0.3
133.02844	0.8
135.04430	0.2
137.02339	1.1
145.04921	1.4
145.06572	0.3
147.04431	0.8
147.08075	0.2
153.01828	5.4
154.02147	0.2
157.06493	0.8
161.05946	0.3
165.01840	2.2
169.06592	0.2
171.04384	0.4
183.02916	1.0
185.06010	0.5
189.05470	0.1
197.05968	0.2
203.07021	0.2
213.05455	1.8
229.04863	0.2
231.06534	0.8
241.04941	1.0
245.04625	0.2
258.05246	1.4
259.05936	0.5
269.04474	0.3
287.05484	100.0
288.05798	5.7
299.05347	0.2
329.06512	0.3
336.67090	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	449.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42419	0.5
53.03932	0.6
55.05487	0.6
57.03414	0.9
61.02906	1.0
65.82850	0.5
68.99762	0.8
69.03423	3.5
71.04974	0.8
79.05454	0.6
79.10546	0.5
79.11475	0.5
79.38375	0.5
81.03382	1.6
81.07036	1.0
85.02431	0.8
85.02900	9.1
88.64906	0.6
91.05499	0.8
97.02897	2.7
97.06532	0.7
98.03173	0.5
105.00052	0.5
105.07004	0.6
106.51381	0.6
109.02864	0.8
111.00782	0.6
121.02882	3.4
121.10123	0.6
127.03885	1.4
127.79575	0.5
133.23123	0.6
137.02344	1.1
147.04419	1.0
153.01836	4.9
157.06447	1.0
159.55396	0.5
161.05940	0.7
165.01813	1.8
183.02917	0.9
185.05991	0.6
212.77582	0.6
213.05443	1.1
220.14415	0.5
231.06522	1.1
241.04985	0.8
258.05246	1.5
287.05496	81.2
287.12354	1.7
288.05908	4.1
303.05035	3.0
317.15524	0.6
381.36136	0.6
449.14188	100.0
449.19757	8.8
450.14481	8.3
450.20157	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1422
Annotation	3'-Hydroxy-3,5,6,7,8,4',5'-heptamethoxyflavone
Peak:m/z	Relative Intensity
56.96568	2.5
59.77663	1.7
60.48187	1.9
70.06612	2.1
71.29327	2.4
72.08131	2.0
81.03421	2.2
84.08133	3.0
85.02921	3.4
89.18549	1.7
91.05824	2.5
91.85133	1.8
98.97595	3.9
109.02917	2.2
111.05596	2.2
120.04457	5.4
126.06695	3.7
132.04440	5.5
133.04813	4.5
146.45166	1.7
151.06200	3.6
153.01900	3.1
165.01859	2.0
179.70688	2.0
203.10008	2.6
213.05415	2.1
226.18732	1.9
227.11864	2.5
237.02916	3.3
259.12000	10.6
260.12146	18.2
287.05560	45.3
302.12308	3.4
303.12866	10.6
319.14917	2.0
363.02493	2.2
407.17456	6.2
449.14224	100.0
449.19766	28.5
450.14508	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	449.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46215	0.7
51.54992	0.6
56.96564	30.2
69.21281	4.7
70.06591	0.8
71.95258	1.1
74.97610	1.0
77.57137	0.6
79.05532	0.6
80.21622	0.8
84.04507	1.1
84.08158	1.1
84.96012	0.9
85.02893	1.2
97.02911	1.0
98.97584	32.1
110.97587	1.3
115.00693	3.9
116.98619	12.1
124.07597	0.7
127.00673	18.5
128.98599	1.2
129.02249	0.8
133.01697	1.3
134.99660	3.0
137.02702	2.6
137.05836	0.7
141.02196	0.9
143.00186	1.2
145.01726	54.0
146.02049	0.9
147.03270	1.0
155.03795	1.8
158.99646	4.6
159.03294	2.0
163.02783	45.2
164.03122	0.8
165.02115	1.0
169.05356	1.4
173.04915	0.8
177.00726	4.8
177.05476	0.7
178.05879	0.8
178.20940	0.7
181.03854	5.4
183.03288	2.0
186.04282	1.1
187.02786	4.5
187.06326	3.3
196.06967	1.0
199.06335	1.3
201.04391	2.4
204.03088	0.8
205.03929	3.7
209.08446	7.9
211.06523	0.7
211.10059	1.7
219.01747	1.3
227.09541	28.3
228.10033	1.1
229.07603	0.7
229.11154	4.1
237.02699	1.6
239.26680	0.8
245.10600	23.1
246.11043	0.9
247.12276	0.9
251.09578	2.7
263.11584	1.4
269.10599	100.0
270.10910	3.9
271.12180	3.5
281.10651	0.9
287.05508	8.8
287.11655	23.8
288.11996	0.8
289.13150	0.9
299.11783	1.0
310.13214	1.2
318.34030	0.7
329.12695	1.3
389.14816	77.2
390.15125	4.5
407.16269	1.5
449.16711	3.2
449.19638	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	449.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	9.3
55.01870	17.9
55.05510	35.8
56.58204	4.7
57.03432	23.8
57.07064	5.4
62.95472	4.3
67.05502	71.2
69.03429	14.3
69.07081	25.4
69.73946	22.4
71.01372	5.4
71.05001	16.8
71.08636	6.6
79.05489	76.1
81.03420	16.1
81.07056	65.1
83.01379	5.6
83.04966	26.5
83.08632	26.3
83.47913	4.5
85.02907	8.2
89.73840	4.5
89.78687	5.3
91.05486	53.7
93.07047	100.0
95.04975	24.4
95.08607	38.3
97.06511	13.5
97.10151	8.6
99.08108	7.6
105.07036	26.2
107.04958	15.4
107.08598	39.9
109.06517	11.3
109.10156	11.1
111.51674	4.8
113.66917	5.3
115.05454	7.7
117.07009	15.7
119.08567	25.3
121.10159	57.9
123.08073	13.0
125.05985	6.0
129.07047	7.2
131.08574	15.0
133.10121	16.0
135.08072	7.9
135.11713	29.6
139.11174	5.7
143.08588	5.9
145.10143	24.5
147.11754	8.1
148.63692	5.1
149.09627	12.9
157.10173	6.0
159.11681	5.2
163.11198	23.9
167.10744	9.1
169.10303	6.1
173.09708	6.9
177.12967	5.9
179.14281	10.1
181.12317	6.9
187.11191	5.8
209.11662	7.1
234.54051	5.1
277.21515	8.3
283.15472	5.9
287.05493	27.1
370.14102	6.0
449.24069	86.6
450.24698	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	449.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.2
55.01875	19.3
55.05512	33.8
57.03442	21.9
57.07060	2.6
59.04994	1.5
63.12515	1.3
65.03941	5.8
67.05505	79.5
69.03432	3.3
69.06732	2.1
69.07072	27.7
71.01340	5.7
71.04977	7.3
71.08617	2.0
71.29868	1.7
76.91739	1.5
77.03935	2.2
79.05494	96.1
80.05816	3.2
81.03420	18.4
81.07056	85.1
82.07360	1.7
83.01361	8.6
83.04986	18.2
83.08620	27.3
85.02891	4.6
85.06522	6.6
88.47272	1.6
91.05482	93.2
92.05791	3.0
93.07043	100.0
93.35464	1.6
94.07367	3.7
95.04965	16.4
95.08055	2.8
95.08604	33.8
97.02885	2.4
97.06520	14.2
97.10152	7.3
99.04418	2.5
99.08065	4.5
105.04492	4.4
105.06410	1.6
105.07043	24.8
107.04962	14.8
107.08595	56.8
109.06529	9.1
109.10165	7.9
111.04429	3.7
111.08061	6.9
111.11705	2.2
115.05444	9.3
117.06219	3.3
117.07018	48.5
118.07331	2.3
119.08573	17.0
121.06464	5.4
121.09309	2.9
121.10139	46.1
123.08028	6.6
123.11667	5.9
125.05983	2.6
125.09601	5.2
129.06985	5.2
131.08549	17.5
133.06412	1.9
133.10146	11.4
135.08051	49.5
135.11703	17.7
139.11154	4.6
143.06934	3.4
143.08548	3.0
145.10129	13.2
147.08032	2.2
147.11659	6.0
149.09578	7.2
149.13243	24.1
153.09052	3.9
153.12645	1.7
155.08492	2.6
155.18840	1.8
157.10049	2.1
159.11714	12.7
159.28580	2.0
163.07573	3.1
163.11211	18.7
167.10670	10.3
173.09627	2.6
173.13277	2.2
175.14905	1.7
177.12743	4.5
179.14491	1.7
181.12190	4.5
183.23021	1.7
195.13777	10.4
199.09532	2.1
209.11670	2.9
227.12712	3.4
257.03644	1.8
283.15421	2.1
287.05405	8.7
333.57141	1.7
357.20193	2.2
413.33835	2.1
431.24118	3.2
431.35449	9.2
449.25143	68.8
450.25397	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	451.16
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	3.2
69.07066	17.7
69.87594	2.4
69.88004	4.6
77.66006	1.4
79.05509	6.6
81.03438	1.5
83.05006	1.5
89.03893	6.8
91.05491	1.8
93.07047	1.7
95.04961	2.1
95.08595	2.0
97.06544	23.8
105.07035	1.8
105.28457	1.4
107.04951	2.9
107.08601	1.5
109.10216	1.5
110.12328	1.4
113.55593	1.3
117.03384	9.1
134.03630	3.8
135.04414	15.0
139.21147	1.3
145.02838	17.5
157.40318	1.3
163.03909	100.0
164.04176	2.7
164.92650	1.3
179.38356	1.1
191.14517	1.3
217.05070	1.7
259.09659	74.6
260.09998	3.6
361.35193	1.3
379.06168	1.3
420.99225	1.5
433.20444	1.7
450.49942	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86898	0.8
64.42615	0.9
67.05508	4.5
69.07069	17.3
70.33905	2.3
70.34232	1.2
79.05492	6.0
81.07052	2.0
83.05008	1.9
89.03918	6.1
91.05492	2.3
95.04977	3.7
95.08616	1.3
97.06532	24.9
105.07063	1.5
107.04967	1.4
117.03376	8.4
117.07018	1.1
119.08610	1.2
134.03632	3.3
135.04414	16.6
140.23624	1.1
145.02846	16.5
161.02426	1.4
163.03902	100.0
164.04260	3.1
167.08525	1.2
189.07503	1.0
211.07669	1.1
217.04961	2.1
241.08588	1.8
259.09659	90.4
260.10016	4.6
289.14163	6.4
433.19809	1.5
451.19159	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	451.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11782	0.5
60.05648	2.0
60.96112	0.6
64.47237	0.6
70.65942	1.1
73.97138	0.6
84.08178	0.6
85.02395	0.6
98.97614	0.7
128.07231	0.6
162.02490	0.6
168.26979	0.7
279.54810	0.8
319.13593	8.5
418.75574	0.7
451.17862	100.0
452.18140	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	452.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03899	1.7
54.68634	2.0
55.01864	6.3
57.03433	5.5
61.02908	3.5
61.55600	1.6
65.57156	1.6
67.05492	5.7
70.22919	5.3
79.05488	19.2
81.03415	7.8
81.07073	2.6
83.01348	7.2
85.02891	5.0
91.05479	38.6
93.07027	13.5
97.02866	2.6
97.06510	2.7
100.14944	2.0
107.04939	4.7
107.08585	21.5
115.05436	2.6
117.07014	33.7
119.08566	2.7
121.63936	1.8
131.47171	1.7
135.07082	3.8
135.08054	49.3
146.57957	1.6
153.09126	2.4
163.07532	16.7
181.08606	8.0
199.09642	4.3
205.72888	1.9
255.12263	100.0
256.12653	5.4
406.21606	2.0
438.92224	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	452.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	7.4
55.05530	2.9
57.03430	4.8
57.77372	1.8
60.13712	1.6
60.45229	1.5
61.02927	2.2
64.08768	1.5
66.76955	1.8
67.05503	4.7
69.03441	2.2
69.20165	5.3
69.20582	6.3
79.05495	17.2
81.03414	7.8
81.07050	3.1
83.01360	3.6
85.02898	6.8
91.05471	31.0
93.07037	13.8
95.04957	2.3
97.02861	4.7
97.06542	3.0
98.23375	3.3
102.33891	1.8
105.07059	2.5
107.04912	4.0
107.08578	18.4
111.04404	2.5
115.05502	2.9
117.07021	27.8
119.08578	2.5
121.06475	2.0
135.08055	47.5
136.08394	1.6
137.09724	1.7
145.06454	2.3
153.09085	3.5
163.03889	1.9
163.07527	14.1
181.08594	7.6
199.09677	7.3
237.11180	1.9
255.12253	100.0
256.12576	5.0
317.69131	2.0
453.13513	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	452.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55194	4.7
55.01869	8.5
55.05514	24.5
57.03447	6.0
61.02908	5.6
67.05513	7.3
69.03429	12.0
69.07079	7.0
70.81168	9.0
71.04971	10.7
79.05489	10.3
81.03409	13.9
81.07053	13.0
82.06543	6.4
83.08607	18.4
85.02904	22.1
91.05461	11.6
93.07059	10.8
95.08613	10.5
97.02890	15.4
97.06532	17.2
100.11256	77.2
105.07046	7.5
109.02847	6.5
110.06012	7.3
111.04453	12.2
111.08071	13.3
117.07127	6.3
119.08615	13.1
121.02835	7.3
121.10134	5.2
124.07597	6.3
127.03883	9.6
128.07048	6.8
131.08585	5.9
133.10106	26.6
137.22795	5.1
163.03931	10.9
182.15390	24.0
187.07527	12.3
201.16327	5.9
209.16512	18.7
210.14885	26.8
215.07080	18.3
226.19153	10.5
237.18524	7.1
241.08513	5.8
259.09695	10.2
260.10013	11.2
261.08713	15.1
273.18567	10.1
287.05536	18.5
288.05792	40.5
289.05978	36.2
290.06284	48.2
299.05377	33.5
322.35934	5.8
341.13754	4.9
350.03586	5.2
353.63953	5.8
435.33344	42.2
452.18088	30.0
453.20786	18.0
453.34323	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	453.1758
Annotation	3,4,5-Trimethoxy-3',4'-dithoxybibenzyl 3'-O-glucoside
Peak:m/z	Relative Intensity
52.86795	1.4
53.03947	3.3
55.01871	3.3
55.05230	1.2
55.05511	3.1
57.03189	1.1
57.03438	5.5
58.24522	1.3
67.05493	2.2
69.03436	22.0
69.07076	17.3
69.34229	7.3
71.01360	3.9
71.04987	2.8
79.05495	14.7
81.03429	8.5
81.07079	3.3
85.02908	12.0
85.06534	3.2
89.03938	4.9
91.05483	1.7
91.24753	1.2
97.02894	35.2
97.06535	74.9
98.06860	2.5
99.04446	3.5
101.02394	3.4
107.04980	3.3
109.02845	2.3
111.08090	3.6
112.08857	1.5
115.05509	1.5
117.03383	4.6
122.39088	1.2
127.03973	2.7
129.09122	1.8
131.04958	1.7
133.02878	4.3
135.04381	6.4
141.06976	1.5
145.02866	7.3
145.06514	1.4
147.04417	3.2
157.06462	2.0
159.04431	8.0
159.08009	2.6
161.02328	27.3
163.03914	51.8
164.04263	2.4
169.06520	1.6
169.10144	1.3
173.02350	47.0
174.02710	2.3
175.03967	1.7
177.05530	1.6
179.03429	2.3
185.05949	7.7
187.03917	1.8
187.07634	3.6
189.05466	1.4
191.03391	35.4
194.50674	1.3
195.08095	1.7
197.06004	2.3
213.09077	2.3
215.07034	100.0
216.07283	5.6
233.08084	24.7
241.08612	16.1
259.09671	41.5
260.10001	2.5
272.21216	1.2
273.11172	16.2
291.12268	40.2
291.15384	2.1
292.12531	2.0
359.11176	2.3
377.12482	2.9
393.15558	1.9
403.13770	4.0
421.14853	2.5
435.16589	6.6
453.17334	36.5
454.18195	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	453.1758
Annotation	3,4,5-Trimethoxy-3',4'-dithoxybibenzyl 3'-O-glucoside
Peak:m/z	Relative Intensity
53.03940	3.3
55.01873	3.7
55.05516	2.7
57.03435	7.6
61.02935	1.4
67.05514	2.6
68.98044	3.0
68.98450	7.5
69.03429	11.9
69.07073	20.8
71.01340	2.1
71.05002	2.7
79.05496	17.6
81.03403	4.6
81.07058	4.6
85.02914	6.9
85.06536	1.9
89.03920	3.1
90.20359	1.0
91.05478	2.0
95.04974	1.7
97.02898	23.4
97.06536	80.2
98.06836	2.0
98.23351	2.9
99.04470	2.7
100.11261	1.3
101.02375	1.8
107.04936	2.4
109.02857	1.6
111.08075	3.9
112.08879	2.2
115.05512	1.3
115.12276	1.1
117.03374	5.7
127.03931	2.9
129.09117	2.6
131.08571	1.4
133.02853	3.7
135.04407	5.7
144.05603	1.1
145.02856	8.0
147.04422	2.0
159.04405	11.5
159.08069	2.0
161.02344	23.3
162.02728	1.8
163.03912	59.0
164.04224	1.3
167.08636	1.6
169.06500	2.3
173.02348	57.1
174.02682	1.7
177.05467	2.5
179.03387	1.5
185.05965	6.0
187.03790	1.2
187.07568	5.0
191.03400	30.9
191.46602	1.3
195.08075	3.0
195.33034	1.2
197.33434	1.2
213.09177	2.7
215.07037	100.0
216.07372	3.9
223.07651	3.1
233.08087	20.3
234.08304	1.6
236.89897	1.2
241.08606	21.4
259.09662	48.4
260.09933	1.9
273.11234	21.0
291.12277	44.3
292.12582	2.1
359.11136	1.4
377.12393	2.3
393.15057	1.6
403.13815	3.1
417.15695	1.4
421.14795	1.7
435.16647	6.2
453.11160	1.4
453.17474	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	17.5
56.66861	8.3
57.03428	10.6
59.04993	11.3
64.29051	8.7
67.05501	22.3
69.03456	39.2
69.07076	8.8
71.04998	84.7
71.29878	11.5
73.02908	15.5
79.05496	15.3
81.03426	25.4
81.07063	36.2
83.04982	7.8
85.02919	45.4
85.06563	14.5
89.03951	8.3
91.05463	20.4
93.07042	39.9
94.94891	9.2
95.04995	18.9
95.08609	16.8
97.02912	32.0
105.07036	26.2
107.08575	46.4
109.10164	28.7
111.04469	11.5
117.07024	11.3
118.07401	13.1
119.04970	17.1
119.08596	20.2
121.10155	66.5
125.09649	58.8
127.03934	20.9
127.11162	15.0
129.06993	10.6
130.76456	10.4
133.10152	100.0
135.01433	8.7
135.04437	14.2
135.08080	9.2
139.85167	8.7
143.10683	87.4
145.10103	12.2
147.04427	33.4
151.11189	20.8
159.11694	17.6
163.03911	33.7
170.12616	13.0
189.16460	22.6
201.16455	11.5
207.17442	18.3
213.18843	9.3
219.17445	29.3
237.18518	27.8
238.18716	9.8
255.12198	10.7
255.19563	16.6
256.12497	12.4
263.06982	14.6
273.07538	12.3
294.96237	8.8
434.92361	8.9
453.21118	64.2
454.21161	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	453.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.5
57.03426	16.3
59.05003	12.2
67.05502	8.8
69.03419	27.9
69.07052	9.5
70.39722	18.5
71.01345	8.8
71.04984	20.5
79.05485	21.7
81.03420	23.0
81.07043	16.8
85.02901	31.0
88.07924	6.9
91.05486	24.6
93.07030	21.2
95.04970	19.4
97.02885	44.6
97.06520	9.1
99.04469	7.5
105.07018	22.4
107.04974	7.8
107.08597	22.2
109.02892	16.0
109.10150	22.4
119.04935	27.7
119.08601	16.9
121.10136	53.2
125.09659	16.2
127.03910	13.2
127.11159	13.3
131.08556	10.5
133.10103	53.1
135.04359	8.2
143.10667	44.6
145.02838	8.8
145.05005	17.1
145.06482	11.2
145.10135	15.2
147.04401	100.0
147.11676	8.7
151.11159	9.5
159.11705	14.9
163.03896	26.3
171.08154	7.6
175.07460	10.6
177.05515	14.8
187.07590	11.1
189.16388	22.5
199.96510	6.8
215.07019	20.4
219.17378	25.4
237.18515	23.5
241.08632	22.3
245.08122	9.0
255.19556	23.0
259.09851	7.3
263.06943	13.2
291.08798	13.9
387.91974	9.0
396.23187	8.0
453.15781	6.4
453.21268	72.7
454.21454	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	453.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92191	3.8
53.03931	4.3
55.05490	10.0
57.03421	5.8
59.22648	4.3
60.95850	11.5
67.05498	5.3
69.03426	19.5
69.07061	5.3
69.09575	3.9
69.09868	36.6
71.05001	30.1
76.85860	4.1
78.41121	4.2
79.05493	11.1
81.03405	12.9
81.07072	11.8
81.17899	4.6
83.04945	4.7
85.02902	15.3
90.83985	3.7
91.05473	21.5
93.07034	20.6
95.08604	10.2
97.02885	19.7
97.06509	4.8
99.04456	8.1
100.91226	4.2
102.96867	7.8
105.07042	36.6
107.08584	26.7
109.02867	4.9
109.10149	9.6
111.04468	4.4
115.05481	8.4
116.22705	4.8
117.07018	8.7
119.04916	9.8
119.08600	36.7
121.06481	5.6
121.10098	5.2
125.09639	9.4
125.94160	4.6
127.03935	10.5
127.11185	17.2
128.06282	4.8
129.07043	8.7
130.99983	6.6
133.06474	5.6
133.10110	21.8
135.08038	11.8
135.11696	7.9
143.08551	6.0
143.10683	21.5
145.06520	5.3
145.10133	35.2
147.04402	16.8
149.01050	15.3
151.11165	34.4
159.11728	16.9
160.53728	4.7
161.06009	7.2
163.03896	17.0
164.93448	4.2
167.02081	6.8
171.08031	9.4
191.18004	5.9
199.07448	5.8
201.16396	15.8
205.12155	9.3
219.17467	58.5
220.17816	4.8
231.08855	6.6
237.18497	82.6
245.08130	8.9
249.09866	6.0
250.15407	4.8
255.19466	11.6
273.09973	20.9
273.20642	12.1
324.56668	5.7
371.72473	5.5
384.80219	4.4
393.14197	17.9
453.13538	100.0
453.19760	9.3
454.13635	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	454.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	5.6
52.89738	4.9
55.01871	8.0
57.03437	15.1
64.17865	5.3
66.26971	5.9
67.05496	14.9
68.43968	5.3
69.03421	23.2
70.06586	5.8
71.04980	5.6
71.29723	7.4
71.44334	6.0
79.05495	13.4
81.03421	76.5
81.07066	6.5
85.02921	35.0
87.26955	4.9
91.05478	68.2
93.07069	25.3
95.04977	6.1
95.08607	15.4
97.02893	24.8
99.04461	5.4
99.27286	5.3
105.07020	5.9
107.04947	10.8
107.08616	9.0
109.02884	15.4
109.10149	15.3
112.97747	5.9
119.04966	26.1
119.08580	80.0
123.08070	5.3
125.09633	11.7
127.03926	16.6
133.55019	5.1
137.09592	46.7
147.04433	58.2
147.08044	5.9
163.42618	4.9
165.01639	4.9
165.09126	67.5
183.10164	16.5
184.07275	10.9
206.08006	12.7
209.09668	6.6
219.08028	7.5
237.08997	28.0
239.12790	30.3
242.58382	6.0
257.13873	100.0
265.08667	23.1
293.08041	12.0
311.09149	10.8
455.14194	30.6
455.20001	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	454.265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.7
55.05520	9.0
57.03443	37.2
58.11850	1.5
61.02928	14.3
67.05497	7.8
67.64135	1.6
69.03433	41.2
69.07071	22.5
69.09796	1.6
69.31306	1.9
71.01350	3.5
71.04992	6.5
73.02924	66.8
74.03249	2.1
74.31227	1.5
75.34345	1.8
77.43510	1.5
79.05499	5.5
81.03432	10.6
81.07079	8.0
83.04992	10.7
83.08614	8.5
83.52550	1.6
85.02910	100.0
86.03240	1.9
87.04491	2.6
91.03979	3.4
91.05505	4.9
93.07066	5.3
95.04986	4.0
95.08633	2.6
97.02902	57.4
97.06534	18.1
99.04492	4.4
101.02385	1.8
105.07034	2.5
109.02853	9.3
109.06523	2.4
109.10172	2.9
111.04437	2.0
115.03929	39.6
117.07085	1.9
119.08618	2.5
121.10138	3.0
123.11799	1.9
127.03914	22.2
133.04990	10.8
139.07562	3.2
141.25391	1.9
143.14310	3.5
145.04970	33.9
147.04393	2.2
147.08136	1.8
149.02454	1.7
149.13203	1.7
149.29524	1.7
150.07661	6.5
153.09181	2.1
153.12743	4.5
163.03998	3.6
163.06036	15.3
165.12747	1.7
173.02328	2.1
193.05006	5.9
213.09052	2.0
215.06976	2.7
216.07338	3.2
223.05943	4.2
239.16386	2.6
241.07137	3.6
251.16626	1.7
259.08264	2.0
259.14395	3.8
260.10211	2.7
269.17490	3.5
287.18527	2.7
305.19516	2.9
311.12897	3.9
355.15506	3.5
399.20239	1.8
436.18192	1.6
454.19400	5.3
454.26514	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2926
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
50.36642	0.7
55.05499	2.6
55.21879	0.7
55.36814	0.6
57.03445	3.4
57.06808	1.0
57.07078	22.2
62.06092	24.7
65.80723	0.6
67.05502	4.2
69.07061	3.9
71.08630	14.0
81.07059	5.6
83.08628	3.9
85.10184	7.5
89.06046	1.6
95.08610	8.9
97.10150	2.3
98.98476	4.8
109.10166	4.0
111.08099	0.8
123.11703	1.1
124.01617	1.4
139.11267	0.7
142.02631	1.0
148.36946	0.6
155.01067	6.8
173.02028	0.8
175.16013	0.6
198.05278	1.9
216.06279	2.2
220.25433	0.7
229.16646	0.8
239.23734	2.3
282.27902	11.7
287.55954	0.7
313.27362	100.0
314.27753	6.3
393.24081	4.9
436.28476	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89812	0.9
55.05508	2.6
55.72662	0.8
57.06796	2.2
57.07076	35.5
62.39336	0.9
67.05483	1.1
69.07019	10.4
71.08633	26.5
73.06563	6.0
81.07057	2.3
83.08617	1.6
85.10179	21.0
87.04478	2.7
89.06030	100.0
90.06375	1.1
91.07574	1.3
93.07047	2.0
95.08601	1.5
97.10182	3.7
99.11749	4.8
105.06986	1.4
107.07067	3.0
111.11766	0.9
117.09101	3.0
119.08586	1.3
124.19244	0.9
130.08652	1.8
133.08600	43.2
134.08904	1.5
151.09639	1.1
155.17899	2.7
176.45222	1.0
177.11243	14.0
180.85805	0.9
195.12256	2.4
199.20583	3.4
221.13808	2.0
243.23155	7.9
283.17514	10.0
287.25793	2.9
415.11667	1.1
437.34705	10.3
438.35025	1.2
471.80392	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30584	0.6
59.06079	0.4
70.30375	1.2
86.31138	0.4
93.23692	0.4
112.89606	47.3
114.89336	1.8
172.91000	0.4
179.76532	0.4
188.80359	0.4
191.45145	0.4
251.73853	0.5
381.07617	0.5
406.06427	0.5
448.09552	0.5
455.11594	100.0
456.11880	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	455.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.6
55.01875	7.9
55.05517	6.3
57.03432	13.0
65.03934	6.8
67.05508	15.3
68.99778	4.1
69.03432	42.0
70.43310	6.3
71.05008	6.7
73.02935	5.5
79.05481	19.9
81.03424	20.7
81.07062	21.3
83.04992	12.5
85.02905	100.0
87.00818	14.6
91.05479	57.4
93.07045	38.2
95.04977	32.5
95.08588	16.0
97.02877	22.3
97.06537	13.7
99.04478	10.0
103.04001	3.2
105.01856	6.6
105.07030	35.1
107.04987	13.6
107.08588	96.8
107.09294	5.4
108.08916	4.2
109.02882	14.9
109.06530	22.4
109.10107	4.0
111.04444	13.2
111.08080	4.4
115.05476	6.7
116.06251	3.9
117.07011	11.6
119.04941	25.5
119.08585	36.3
121.02882	4.4
121.06508	17.7
121.09265	4.1
121.10113	24.5
123.04396	4.4
123.08083	6.0
123.11716	8.8
125.05985	8.2
127.03921	18.6
127.07506	5.6
129.07063	6.2
131.08560	86.2
133.06519	7.6
133.10135	10.2
135.08054	12.4
135.11650	3.7
137.05991	7.6
137.09659	7.3
139.07579	6.3
141.07048	5.6
142.07829	3.8
143.08554	8.7
144.05737	4.1
145.04959	10.4
145.06490	6.0
145.10094	16.9
147.04395	61.2
147.08047	21.6
147.11690	29.2
149.09628	39.8
151.07605	8.0
156.09338	3.8
158.07185	3.8
159.08032	13.3
159.11742	7.8
161.06004	4.9
161.09618	16.5
161.13232	9.1
163.07501	3.5
163.11192	10.5
165.07005	4.5
165.09137	8.1
165.12804	7.6
167.08568	4.3
169.10130	4.1
171.08113	5.7
171.11713	5.6
173.09625	10.5
175.07446	3.4
175.11151	3.6
177.01091	2.9
177.12750	5.7
179.10773	3.3
181.06474	3.0
185.09636	6.4
187.11150	6.4
189.09154	9.2
189.12740	42.8
189.14330	2.8
191.08571	7.7
191.10677	13.8
194.07350	5.8
197.09613	4.8
201.12737	3.3
203.10699	6.1
205.12276	4.6
207.10156	5.9
207.13811	31.4
209.06123	3.7
209.09676	6.8
211.11137	3.1
213.09134	3.7
215.10675	10.4
219.08058	9.7
220.08679	3.8
223.07613	6.9
231.05013	4.4
231.10155	3.0
231.13876	6.6
233.11748	5.5
237.09129	29.0
239.10710	3.8
247.07501	12.3
249.14992	4.0
251.06818	2.9
257.11838	7.1
265.08575	35.0
275.12759	4.9
292.75076	2.9
293.08145	16.3
293.13791	8.0
311.09122	10.5
335.14899	4.2
351.18063	17.9
369.18774	5.5
393.18976	6.6
419.16830	5.9
455.13443	6.6
455.22955	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	455.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03901	0.5
53.40667	0.4
55.05450	1.0
57.03388	0.9
57.88063	0.4
67.05457	1.0
68.13811	0.4
69.03349	2.7
69.06992	0.6
69.69822	1.8
71.04939	0.4
71.13628	0.3
79.05410	1.7
81.03329	2.9
81.06992	1.0
81.78652	0.5
83.01242	0.5
83.04913	0.7
83.08542	0.5
85.02819	1.4
86.06003	0.8
87.04401	0.5
90.78733	0.4
91.05382	1.9
93.06957	1.0
95.04929	0.5
95.08535	0.8
97.02790	1.7
97.06429	2.5
98.98380	1.2
99.04360	1.6
100.11163	0.4
103.05386	0.5
104.50531	0.5
105.06979	1.0
107.04957	2.7
107.08515	1.0
107.71259	0.4
109.02802	0.6
109.06403	0.4
115.05360	0.7
116.10618	0.8
117.06939	1.1
119.04924	3.2
119.08501	0.9
120.05602	0.4
121.02802	1.0
121.10074	0.8
123.04351	0.9
127.03818	1.3
131.04874	0.6
145.06392	0.9
145.10054	1.0
147.04419	8.1
155.00978	0.5
163.03810	1.6
163.11079	1.3
166.07745	0.5
173.02257	0.7
181.06381	1.1
183.07982	1.0
189.05432	0.6
191.08443	0.9
195.07970	1.0
203.05273	4.5
205.11916	1.8
209.05949	4.1
209.09500	1.4
211.11151	0.7
213.08980	0.7
215.06912	1.3
219.07994	1.2
223.07539	2.7
223.13077	2.3
225.09006	0.9
229.38477	0.5
237.09125	4.6
239.10635	1.2
251.06950	2.7
259.09665	2.8
265.08582	2.7
269.07983	1.1
275.16260	1.1
283.09735	3.2
283.15356	4.2
291.08493	0.6
293.08133	2.0
293.17078	2.7
293.20337	0.5
311.09146	2.8
333.63483	0.5
342.22748	0.6
355.11691	0.5
369.15295	0.8
385.18311	79.1
386.18616	5.1
401.72485	0.4
411.22748	0.4
437.12729	0.5
437.21115	0.7
455.13641	3.0
455.22531	100.0
456.22925	8.1
456.29129	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2252
Annotation	Incaspitolide E
Peak:m/z	Relative Intensity
53.03897	0.4
55.01833	0.9
55.05464	1.0
55.67370	0.4
57.03387	0.8
57.96175	0.4
65.60632	0.4
67.05470	0.8
69.03350	2.8
69.07010	1.0
70.55721	1.1
71.04939	1.2
75.04465	0.4
79.05441	1.0
81.03336	3.0
81.06998	1.2
83.01284	0.6
83.04913	0.7
83.08532	0.5
85.02825	1.4
86.06001	0.6
87.04403	0.5
91.05473	2.3
93.06995	0.9
95.04923	1.0
95.05645	0.4
97.02880	2.2
97.04086	0.4
97.06538	2.8
98.98380	1.3
99.04368	1.9
103.05361	0.4
104.49941	0.6
104.50528	0.5
105.06950	1.4
107.04947	3.1
107.08537	1.0
109.02823	0.8
109.06452	0.8
115.05402	0.8
116.10649	0.8
117.06948	1.2
117.49084	0.4
119.04958	3.0
119.08511	0.7
121.02787	1.3
121.10043	0.6
122.92401	0.4
123.07946	0.7
127.03844	1.7
131.04843	1.0
131.08545	0.4
133.10126	0.5
145.06438	0.5
145.10086	0.9
147.04416	7.4
155.00882	0.5
161.05858	0.6
163.03819	1.8
163.11093	0.9
167.08478	0.5
171.04350	0.7
173.02281	1.0
181.06493	1.0
181.10121	0.5
183.08018	0.7
185.04140	0.5
189.05388	0.6
191.08553	0.5
193.37576	0.4
194.07179	1.2
195.07988	1.4
203.05267	6.1
205.08636	0.5
205.11993	3.1
209.05991	3.1
209.09520	1.6
211.11108	0.5
213.08954	0.6
215.06955	2.0
219.07976	1.6
221.09639	0.5
223.07446	1.9
223.13016	3.3
225.09131	1.0
237.09103	5.6
239.10628	1.6
247.07458	0.6
251.07065	2.0
255.10207	0.7
259.09555	3.1
265.08652	2.4
267.10101	0.7
269.07925	0.9
275.16251	1.1
275.19772	0.7
283.09723	3.9
283.15417	4.0
291.08899	0.5
293.08163	2.8
293.17148	1.5
311.09076	2.8
369.15106	0.7
385.18329	94.6
386.18704	6.0
395.12097	0.5
397.18484	0.5
437.21506	1.0
455.22549	100.0
456.22897	8.4
456.28967	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.15
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.4
60.02280	0.5
67.49552	0.6
69.03433	3.2
81.03410	1.0
85.02899	1.7
91.05473	7.2
97.02876	3.3
97.06541	0.6
99.04443	1.0
107.04946	1.3
119.04943	18.4
120.05331	0.7
127.03893	1.0
147.04401	100.0
148.04739	3.7
158.40556	0.7
165.05519	1.1
167.92741	0.6
184.39349	0.6
203.05229	0.6
215.07191	0.9
220.08386	1.2
237.09172	0.8
238.09496	1.8
259.09735	1.3
265.08630	0.9
266.08936	1.9
293.08127	0.7
294.08514	1.8
309.09601	4.0
448.35410	0.7
456.23657	1.1
456.29630	1.7
457.17487	1.0
457.24045	14.4
479.62219	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.4
53.83390	1.7
55.05508	3.2
57.03438	5.2
67.17789	1.7
69.03426	19.0
70.06609	2.0
71.04998	12.8
73.02899	3.3
77.34312	1.7
79.05484	2.9
80.05038	4.0
81.03430	6.2
82.06596	2.5
83.05026	2.1
85.02918	6.3
85.06568	4.2
91.05482	9.6
92.05824	3.2
93.07007	2.4
95.05022	1.9
97.02914	14.1
99.04471	8.5
107.04981	4.0
113.06019	4.5
116.07088	2.2
119.04950	18.0
120.05293	5.4
127.03941	5.7
133.02876	2.7
133.06554	2.5
145.12199	14.2
147.04419	100.0
148.04758	15.3
164.54320	1.8
165.05492	2.1
179.03391	10.3
190.07568	2.2
203.05319	8.6
208.14188	1.9
215.07053	6.0
220.08467	3.7
237.09111	4.5
238.09453	7.5
248.07784	2.5
259.09772	8.2
261.08853	2.1
265.08636	2.3
266.08929	7.8
277.17603	3.7
279.19360	3.3
293.08124	2.7
294.08353	3.4
303.09787	4.7
309.09714	11.8
312.09506	2.1
456.13361	4.1
456.22739	9.0
456.29559	9.0
457.16956	13.4
457.24106	86.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.2
69.03431	11.5
69.21648	8.2
72.73524	1.0
80.05023	1.3
81.03429	3.6
91.05482	5.6
95.57990	1.3
97.02892	4.7
98.06064	2.8
98.22633	2.6
99.04480	3.4
112.07661	1.4
113.05972	1.5
119.04948	17.4
120.05314	1.3
147.04408	100.0
148.04727	3.6
149.15541	1.5
165.05524	1.9
179.03596	1.3
187.07532	1.3
212.16405	2.1
215.07001	3.2
238.09486	1.5
255.26118	1.3
259.09656	4.6
309.09634	4.4
324.21805	1.4
456.22903	5.4
456.29272	2.3
457.16956	3.0
457.23880	7.5
472.26337	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89118	1.2
55.05512	9.4
56.05841	1.8
56.28103	1.3
57.03434	2.1
57.07076	1.8
65.03923	1.3
67.05492	1.8
69.03432	11.3
69.23824	6.1
73.02898	2.0
80.05014	2.0
81.03413	4.6
83.04982	2.3
83.08600	2.7
85.02914	3.9
85.06543	7.2
86.06866	1.2
91.05479	7.8
96.08112	1.9
97.02887	4.9
97.06519	2.3
98.23419	2.1
99.04464	3.7
100.07658	1.7
100.11253	17.3
101.11552	9.0
105.07027	1.4
107.04955	2.4
110.24306	1.2
111.04436	1.7
113.05987	5.5
119.04947	15.8
127.03892	2.6
139.08705	1.8
145.12202	3.4
147.04408	100.0
148.04778	3.9
165.47969	1.1
168.08003	1.2
172.73027	1.2
173.02357	1.3
182.15424	2.3
183.15750	4.8
184.16132	2.1
192.08868	1.7
200.04611	1.7
207.13922	1.3
209.16432	2.7
210.14977	1.4
210.16878	4.0
211.15268	5.0
212.15555	1.9
215.07050	5.4
220.08438	1.9
237.08958	1.5
238.09479	2.9
259.09589	10.5
266.08957	3.9
294.08487	3.0
309.09634	5.7
319.12701	1.6
437.33923	7.7
438.33987	2.9
455.34985	23.5
456.22458	1.9
456.29526	2.8
456.35205	8.0
457.16623	3.4
457.24152	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63379	1.0
55.05498	1.2
68.05040	1.3
68.77039	0.9
69.03428	10.2
69.23879	3.7
69.24284	2.1
70.06601	1.8
75.06144	0.8
78.80948	1.0
80.05026	1.0
81.03412	2.9
82.06560	1.5
83.28928	0.8
85.02917	1.6
86.06053	1.5
91.05476	7.6
97.02876	3.4
98.06041	4.2
99.04461	3.2
113.05939	1.3
116.07114	1.4
116.10732	2.2
119.04952	20.9
125.29146	0.9
127.03941	1.2
145.10130	1.1
147.04408	100.0
148.04741	3.7
165.05443	1.4
259.09665	2.5
309.09637	3.8
342.22699	1.8
443.72888	1.0
456.22836	2.5
456.29636	1.4
457.24167	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	456.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40234	2.1
52.66587	2.2
55.01873	2.5
55.05494	3.2
57.03430	3.8
67.05499	7.8
69.03428	6.1
69.07059	10.0
70.59713	3.6
70.60040	3.7
71.04996	3.8
79.05496	9.2
80.58059	2.3
81.03421	4.7
81.07037	3.7
83.05009	3.6
84.04536	2.3
85.02909	5.6
86.06057	14.7
91.05496	4.0
93.07050	4.6
95.04972	6.6
95.08604	5.1
96.08112	8.8
96.80729	2.4
97.02891	8.2
97.06526	45.5
98.09669	2.6
99.04453	2.7
105.07065	2.8
107.04962	6.4
107.08571	4.3
109.02896	3.8
110.47067	2.3
114.42651	2.5
115.05412	2.7
116.10735	16.3
119.04966	3.4
119.08528	3.0
122.09663	9.6
124.07554	2.6
127.03931	4.3
129.26695	2.3
131.08521	2.3
133.10165	3.0
135.04411	4.8
135.07996	2.5
140.10626	2.8
142.08710	6.7
144.49557	2.8
147.02304	2.2
147.04373	13.7
148.04742	3.1
153.06950	2.6
155.08537	3.6
157.10091	3.1
158.11711	2.1
161.02335	9.4
161.05969	11.9
163.03905	33.1
167.08554	5.4
170.18437	2.6
173.02351	10.3
173.06039	6.0
175.03925	3.8
175.07574	3.6
185.09625	4.7
187.07463	5.0
189.05505	3.4
189.09091	10.4
191.10594	3.1
195.08104	7.3
203.05272	3.9
203.07001	3.1
205.08583	4.3
212.16400	5.2
213.09109	14.9
215.07036	31.0
217.08640	5.5
231.10207	10.0
241.08662	10.0
249.11021	2.5
259.09653	77.1
260.09982	3.1
269.98798	2.8
270.68079	2.4
272.18588	4.3
277.10739	6.8
277.17715	5.5
279.19159	2.3
295.18875	2.7
324.21741	6.8
342.22748	21.4
386.18576	7.0
421.14957	6.1
456.22748	28.2
456.29578	8.7
457.24112	100.0
471.70721	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	456.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01872	2.4
55.05506	2.1
57.03433	25.7
60.41545	0.9
61.02925	12.4
62.06084	1.0
67.05502	2.1
69.03429	31.3
69.07066	2.0
70.42564	2.4
71.01360	2.8
71.04980	2.5
73.02916	50.6
79.05500	1.6
81.03430	7.0
81.07063	1.9
83.04993	3.5
85.02903	100.0
86.03248	1.7
87.04453	2.2
91.03968	5.2
91.05478	1.8
95.04986	2.4
95.08598	1.6
97.02893	48.3
97.06524	13.1
98.03244	1.2
98.06859	2.1
99.04459	4.4
103.03968	1.9
105.07032	1.2
107.08605	2.1
109.02876	7.8
115.03926	32.0
116.10719	1.2
119.08581	1.9
120.08960	0.9
120.10319	1.2
121.10206	1.0
124.70761	0.8
125.05976	1.0
127.03911	27.0
127.04786	1.7
132.06612	1.8
133.04961	8.6
133.10115	1.4
135.04375	0.9
135.08006	0.9
145.04956	47.8
150.07620	3.3
159.11882	0.9
163.06000	15.2
165.09081	1.2
173.13272	1.8
191.14311	3.0
193.04973	1.4
197.09602	1.1
223.06062	2.8
241.07114	4.2
259.07892	1.1
267.07971	2.0
273.77737	0.8
307.21283	1.0
311.12897	0.9
457.27002	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1119
Annotation	Riboflavin monophosphate
Peak:m/z	Relative Intensity
53.03946	6.3
55.01860	1.1
57.03441	10.1
59.04998	5.3
61.02927	1.7
67.05482	1.3
69.03427	19.8
69.07059	0.8
69.54276	0.7
70.06591	6.8
71.04988	9.8
71.20119	0.7
73.02930	4.8
81.03411	28.6
81.07050	1.4
82.03753	0.9
82.06577	0.9
83.04959	1.4
85.02895	2.7
87.04479	1.4
91.05466	1.4
93.07060	0.9
95.04985	6.5
97.02880	2.8
98.06055	0.9
98.98463	20.8
99.04449	15.8
106.95099	0.9
107.08625	0.9
109.02877	1.5
109.10155	1.5
112.07593	1.6
117.05486	12.7
118.83510	0.8
119.04932	1.7
121.02886	1.0
121.10205	0.9
123.04424	0.8
127.03933	1.8
130.06551	1.6
137.05946	1.0
145.07620	2.5
147.04396	6.6
147.09167	3.6
151.03850	1.2
153.09056	1.2
157.06458	1.0
157.07637	1.7
159.09200	6.0
170.07132	2.1
171.09151	1.0
172.08694	30.0
173.07118	3.7
174.10301	0.9
175.08694	4.4
179.01012	0.9
183.09119	1.5
184.08672	3.2
186.10245	2.1
190.09779	2.8
191.14325	1.0
198.06613	8.1
198.10220	3.9
199.12361	2.0
200.08218	5.2
209.15385	3.9
210.10248	1.8
214.09753	4.9
215.06943	1.2
216.07677	21.3
218.09274	2.3
219.07654	3.8
224.11810	3.5
226.09799	1.4
229.08475	2.9
243.08774	60.3
244.06985	1.7
244.09166	2.0
252.11250	1.4
285.09683	2.4
295.05588	0.8
295.11539	1.6
297.09869	1.2
307.08554	1.2
316.12708	2.2
323.11331	2.5
325.06985	2.8
334.09543	1.3
341.12427	8.3
351.07877	1.1
352.10196	1.0
359.13477	42.9
360.13608	2.9
377.14597	5.4
379.08029	1.5
396.09525	10.1
397.07935	3.0
403.07849	1.9
414.10574	13.4
415.08997	0.9
421.09076	8.5
439.10123	100.0
440.10150	6.9
452.64838	0.9
457.10992	32.4
457.16751	53.8
458.11447	1.7
458.17413	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	457.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.46801	2.5
61.75365	2.4
69.03452	5.9
69.07076	3.3
79.05488	5.0
81.03428	3.2
81.07076	2.8
83.08610	3.1
84.96028	4.1
85.02910	5.7
85.06530	2.7
91.05493	4.1
93.07035	4.2
95.08600	3.4
97.02889	6.9
97.06528	19.1
98.06878	4.1
98.97584	36.4
102.53431	2.8
105.07035	4.3
107.08583	3.9
108.94672	2.6
109.10120	2.7
110.48712	2.9
112.99149	8.7
113.83037	2.7
116.98620	10.9
119.08576	4.0
121.10118	4.1
123.08033	3.1
127.03930	3.7
131.00183	8.2
133.10170	13.9
135.08058	3.4
137.09613	10.8
139.94395	2.4
149.01271	5.3
151.07549	3.9
151.11171	3.4
157.81766	2.4
158.99609	16.9
163.03934	8.5
173.01219	11.0
173.02492	5.4
177.00751	11.6
187.02829	4.4
189.12762	3.0
191.02289	8.1
191.14346	7.0
201.00751	4.5
207.13704	2.4
209.15378	7.0
215.07062	2.7
216.07344	5.2
219.01750	8.6
229.03928	3.8
259.09641	12.5
260.09988	20.2
305.02692	26.2
306.03055	3.0
371.13812	4.2
389.14639	3.2
399.16684	2.9
413.15579	13.9
439.26904	3.0
457.14676	100.0
457.19702	4.1
457.24454	6.5
458.14484	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	457.168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01849	0.9
55.05513	0.8
57.03433	0.8
57.07076	0.5
60.72368	0.4
67.05495	1.3
69.03432	7.9
69.07059	1.0
69.23342	2.6
70.06592	0.4
71.04981	1.0
71.78123	0.4
73.02904	0.7
75.92429	0.4
76.65387	0.5
79.05476	0.8
81.03425	4.2
81.07052	1.3
83.04979	2.1
84.80309	0.5
85.02904	3.1
87.00817	1.6
91.05472	1.6
93.07046	1.2
95.04961	0.7
95.08617	2.0
97.02868	1.8
97.06541	1.0
99.04443	1.3
99.57693	0.4
105.01852	0.5
105.07040	1.7
105.48589	0.4
107.08595	4.7
109.02893	4.0
109.06530	2.3
109.10168	1.0
111.08084	2.2
115.17297	0.5
116.37192	0.4
119.04856	0.5
119.08598	1.4
121.02872	0.6
121.06489	0.6
121.10116	2.6
123.08083	0.9
125.09629	8.6
127.03899	3.7
131.08543	1.1
133.10153	1.9
135.08037	3.8
135.11702	1.8
137.09627	0.6
138.52617	0.4
145.04962	1.5
145.10088	1.0
147.04446	1.3
147.11670	0.9
149.09616	2.4
149.13269	1.2
153.09064	2.2
158.10925	1.1
161.09613	0.8
163.11154	1.2
163.14822	1.4
165.12762	0.6
166.44147	0.5
167.10620	0.5
173.13255	4.9
183.56500	0.4
185.52086	0.5
191.14311	22.8
192.14694	0.8
195.58208	0.5
202.09653	0.5
203.05305	1.0
209.15370	24.7
210.15775	1.2
231.05043	2.0
259.07697	0.9
277.10629	1.0
295.11560	1.8
300.06436	0.5
325.07098	1.3
337.07138	0.6
347.34344	0.5
379.07956	0.7
439.19809	0.8
457.16736	100.0
458.17111	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	457.1678
Annotation	Asp Ala His Asp
Peak:m/z	Relative Intensity
55.46671	0.3
57.03435	0.4
64.41496	0.3
69.03425	0.9
81.03413	0.4
85.02885	0.4
91.05495	0.5
93.28968	0.3
97.02895	0.6
107.66936	0.3
142.37170	0.4
147.04416	0.6
163.03897	0.8
169.00095	0.3
185.04181	0.4
203.05188	0.6
259.07788	0.7
277.10638	0.6
287.03726	0.7
295.11545	0.7
325.07492	0.5
347.29642	0.4
441.62683	0.4
457.16779	100.0
458.16943	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
55.01866	1.1
55.05518	2.4
57.03442	2.0
61.02920	1.5
67.05503	2.0
68.99798	1.5
69.03430	11.5
69.07066	1.3
69.28939	4.4
71.04987	1.6
74.10124	1.0
79.05486	1.8
81.03416	11.3
81.07063	4.3
83.04992	2.7
85.02911	15.2
87.00816	6.8
91.05487	2.4
93.07086	2.0
95.04965	2.9
95.08601	4.3
97.02892	3.9
97.06487	1.1
98.23412	1.6
99.04444	3.0
105.01860	2.9
105.07030	3.3
107.08603	8.8
109.02872	7.2
109.06518	5.6
109.10147	2.6
117.01884	1.1
119.08578	3.1
121.10156	13.4
122.07330	2.3
123.08057	3.9
123.11718	3.9
127.03906	10.2
131.08601	2.3
133.10133	11.8
135.08034	2.4
137.09616	23.8
145.04938	2.2
147.11722	1.6
149.09595	7.6
149.13257	8.0
151.11169	21.0
159.02882	2.9
165.12753	36.3
166.13078	1.2
173.13229	2.1
191.14319	11.1
193.15915	2.6
209.15364	100.0
210.15656	7.4
231.05090	1.2
263.93130	0.9
465.85242	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	9.8
70.41578	8.0
79.05488	4.7
79.45391	3.2
81.07066	6.2
91.05482	5.9
93.07038	3.2
97.02913	3.6
105.07061	10.0
107.08617	17.3
109.10161	7.4
121.10152	10.0
122.07325	5.8
133.10129	100.0
135.08046	8.6
137.09625	62.3
137.10674	3.9
149.13280	9.6
173.13332	7.2
180.15402	3.2
191.14290	49.8
324.78262	3.7
328.48206	3.3
346.67783	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.01868	3.7
55.05508	2.4
57.03434	1.5
64.22561	1.3
67.05477	1.6
69.03418	8.2
69.07069	14.9
69.37408	7.0
70.06553	1.7
79.05490	5.3
81.03421	4.0
81.07043	3.6
83.05000	2.5
85.02898	5.1
87.00819	2.2
91.05472	4.2
93.07039	13.9
95.04943	1.4
95.08599	4.6
97.02887	2.4
97.06549	10.6
98.06842	2.7
98.22691	3.0
105.01846	2.1
105.07018	4.8
107.08601	11.0
109.02859	1.7
119.08548	4.0
121.06511	14.5
121.10119	7.3
123.08054	3.6
123.11723	1.5
125.09700	1.5
127.03947	2.7
131.08598	4.1
133.10120	8.1
135.08031	7.7
135.11722	4.0
137.09692	1.7
140.97032	1.5
145.10022	2.8
147.11678	29.3
149.09622	3.2
149.13309	6.8
153.14684	1.2
158.10895	1.9
161.09624	5.0
163.03900	3.3
163.14818	2.4
164.04193	1.6
173.02277	2.3
173.13290	7.6
178.48495	1.2
183.53754	1.3
185.19113	1.5
191.14301	100.0
192.14673	5.1
209.15332	7.1
215.07039	2.6
216.07466	3.3
220.47517	1.3
247.93639	1.4
259.09607	5.9
260.10013	13.4
263.77115	1.5
267.07831	1.3
274.91940	1.5
314.32932	1.3
457.20117	19.3
458.20248	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	457.2409
Annotation	Lys Phe Tyr
Peak:m/z	Relative Intensity
50.10450	0.2
66.55325	0.3
69.03433	1.2
69.07102	0.3
70.82785	0.5
74.57655	0.3
76.39607	0.2
77.13797	0.3
81.03409	0.6
81.07049	0.5
85.02909	0.8
91.05492	0.6
93.07064	0.3
95.04990	0.4
97.02898	0.6
97.06550	0.5
99.04458	0.6
107.08628	0.4
109.75097	0.3
117.03449	0.3
119.04968	0.5
121.10188	0.6
125.09641	0.7
127.03883	0.6
130.51794	0.3
132.08105	0.3
133.10107	0.3
135.08061	0.4
145.05991	0.3
147.04395	1.6
148.04788	0.8
149.09627	3.0
149.13232	0.4
163.03896	2.2
173.13292	0.4
176.14359	4.1
179.03490	0.3
191.14323	1.6
201.03699	1.5
203.05254	4.2
209.15291	2.1
229.98285	0.3
233.20082	0.4
253.07370	0.6
259.09763	0.4
271.08563	0.4
277.17572	5.1
279.16217	0.6
279.19312	9.1
280.19650	0.3
295.18820	1.1
306.77838	0.3
353.65399	0.3
439.23041	0.6
457.24091	100.0
458.24429	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	458.1271
Annotation	Alisiaquinone C
Peak:m/z	Relative Intensity
53.03927	0.5
57.51314	0.6
64.34315	0.7
67.13242	0.7
69.03438	3.3
69.32370	0.6
69.61750	0.5
70.15318	1.5
71.09826	0.6
72.73986	0.6
79.05515	0.8
81.03418	1.8
81.98485	0.6
85.02927	2.3
91.05492	1.4
95.04994	0.9
97.02909	4.9
98.97603	0.8
105.14095	0.7
112.24263	0.7
115.03930	7.5
119.04936	3.4
120.08152	1.4
123.04452	2.2
127.03956	1.1
134.06001	0.7
147.04420	29.0
148.04759	1.2
150.05525	10.9
165.05511	6.2
166.04762	7.2
171.08197	0.8
178.04962	3.7
184.05804	1.0
195.70920	0.6
200.18781	0.6
203.05406	2.4
210.07640	0.7
232.05844	3.1
232.96512	0.9
234.07408	1.3
238.07275	1.2
242.05273	0.9
260.05289	3.3
261.07681	1.2
268.51965	0.6
278.06375	8.7
296.07178	1.1
309.09720	2.0
316.98825	0.7
338.07315	0.8
340.80954	0.7
412.11963	1.2
416.02347	1.0
440.11658	56.9
441.11893	3.5
448.21628	0.7
458.12695	100.0
459.12997	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	458.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47343	2.0
58.24180	2.2
69.01517	14.1
69.01925	4.4
69.03429	6.9
70.06573	2.9
71.19797	2.4
81.03419	3.3
83.04942	2.6
85.02908	8.0
85.60335	2.0
90.59875	2.4
91.05491	4.6
95.05007	2.5
97.02895	6.2
107.08608	3.2
109.02901	4.3
117.54092	2.4
119.04946	10.7
125.09657	4.6
127.03954	3.4
135.39314	2.8
136.07571	3.3
145.04967	2.6
147.04411	65.2
148.04819	4.6
154.08633	10.1
163.03998	3.6
174.13611	2.3
182.67892	2.2
191.14391	7.4
192.14659	5.1
209.15312	5.1
210.15735	4.4
236.15002	5.6
287.03793	2.7
289.05582	2.8
296.06360	4.2
301.73035	2.3
308.06476	3.3
309.09763	9.2
326.07532	13.8
338.07416	5.8
352.08954	5.1
380.08588	11.4
395.15973	3.1
404.08383	4.2
410.09610	3.4
413.17096	13.3
422.09286	3.3
440.10416	6.3
440.22720	2.5
441.16544	11.9
458.11609	9.4
458.17191	100.0
458.23270	5.2
459.17960	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.5
55.01884	1.9
57.03437	5.8
61.02929	7.0
61.71122	1.5
69.03434	21.8
69.47249	3.6
69.47653	5.5
71.05009	4.5
73.02921	5.2
79.05481	2.4
80.05046	2.8
81.03413	16.3
82.06608	2.9
83.04984	5.6
85.02908	27.2
86.09708	2.6
87.04472	8.3
90.89252	1.6
91.04007	2.1
91.05482	6.9
93.07035	2.0
94.06609	2.5
95.04987	9.9
96.05295	2.5
97.02891	17.5
99.04485	5.1
105.05528	3.6
107.08595	1.9
109.02890	5.9
112.88322	1.8
119.04942	14.0
120.08173	2.0
122.06098	2.1
127.03950	7.2
132.08124	4.7
133.06485	2.1
134.09694	2.9
145.05022	4.5
147.04405	100.0
147.08018	2.0
147.10229	2.4
148.04779	3.9
158.09648	2.6
162.09167	3.7
163.03931	3.6
164.10811	1.8
165.05550	2.2
173.33900	1.6
188.10716	1.6
192.14682	1.7
216.10309	1.6
218.11830	7.3
230.11859	3.2
234.11348	2.4
248.12831	9.2
260.12869	2.5
266.14111	2.9
278.13840	8.1
296.14920	79.8
297.15332	3.9
309.09665	9.6
348.56412	1.6
415.19540	4.9
442.76910	1.8
458.20291	69.4
458.26025	3.6
459.18024	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	458.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
55.01850	1.0
55.05512	6.7
67.05489	2.3
69.03419	3.3
69.07063	7.3
70.06595	1.4
70.80341	2.2
71.04978	0.8
79.05484	2.6
79.38404	0.8
81.03410	3.9
81.07047	7.0
83.08617	3.6
85.02911	5.5
87.00817	1.9
91.05479	12.2
93.07036	4.1
95.08602	8.6
97.02882	3.6
97.06520	2.0
99.91322	0.9
103.05467	1.6
105.01857	2.7
105.07026	20.2
107.08586	15.7
108.08926	1.0
109.02870	2.0
117.07006	5.5
119.08576	100.0
120.08909	2.4
121.10138	5.5
127.03893	4.8
127.82816	1.0
131.08502	1.2
133.10130	18.3
135.11650	1.7
140.81166	0.9
145.04951	1.5
145.10139	2.2
147.11664	3.6
175.14816	62.0
176.15163	2.4
224.15572	0.9
230.37306	1.0
231.04965	1.0
278.18094	1.3
310.91830	1.1
410.06128	1.1
458.18317	1.6
458.24500	24.5
459.25180	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38414	0.4
55.01835	1.1
55.05517	2.3
57.03436	7.1
58.06599	36.3
58.07013	1.1
59.07381	12.7
60.08165	9.1
60.08455	0.4
64.88455	0.3
65.03920	0.5
66.06255	0.3
67.05506	4.2
69.03391	1.4
69.07035	1.5
71.04958	0.5
71.30294	0.7
73.02872	1.0
75.04478	3.3
79.05495	3.7
81.03423	1.7
81.03789	0.4
81.07050	2.9
83.04934	1.6
83.08618	0.5
84.04493	0.4
84.08103	1.4
85.02909	3.7
86.06032	0.6
86.09676	0.6
87.04459	5.6
91.05470	1.9
91.77979	0.3
93.05488	0.6
93.07038	2.3
94.21684	0.3
95.04961	2.0
95.08605	1.6
97.02847	0.6
97.06538	1.7
97.10142	0.8
102.05516	0.5
103.03904	1.0
105.05467	1.3
105.06998	1.3
107.04938	1.0
107.08528	1.3
109.10127	1.0
110.23433	0.4
113.05924	0.7
116.10703	0.8
117.06960	1.0
117.07798	0.5
119.08549	0.7
121.10139	0.6
129.06911	0.5
131.07042	2.1
131.08545	0.8
133.10120	0.8
135.08014	0.4
139.39034	0.3
144.10182	9.5
147.11673	0.6
157.10063	0.5
159.06549	0.4
162.09947	0.5
162.11241	5.4
189.09970	0.3
191.14282	0.7
192.14572	0.7
192.62808	0.3
200.12709	0.6
203.11655	0.4
205.12257	0.5
216.09071	0.4
218.13878	1.1
223.13231	0.9
231.11232	0.8
236.14912	100.0
237.15308	3.4
259.10745	1.0
260.10019	0.5
261.10019	0.8
269.54926	0.3
277.11868	3.3
296.18613	0.6
344.24234	0.9
353.19611	1.1
372.23654	0.9
381.19080	0.4
390.24777	3.3
391.25320	0.4
406.08142	0.4
409.95291	0.5
422.25082	0.9
440.26404	21.9
441.27032	2.2
458.27505	66.1
459.27841	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.3
55.01875	16.4
55.05511	13.8
57.03424	5.9
57.07063	7.7
67.05508	58.2
69.03419	35.3
69.07068	13.6
69.18173	28.9
69.18582	12.1
71.04982	12.0
73.02914	10.4
79.05495	41.9
81.03413	44.3
81.07057	54.9
83.04966	6.2
85.02907	15.3
91.05482	28.2
93.07062	34.7
95.04977	8.1
95.08616	42.1
97.02890	45.8
98.23321	8.7
99.04452	68.8
105.07018	16.9
107.08623	24.0
109.02881	32.0
109.10181	22.6
111.04438	8.3
117.07076	7.1
119.08575	13.2
121.10128	15.5
123.11720	10.5
127.03912	100.0
131.08563	11.3
133.10127	8.2
135.11700	10.3
137.13213	5.1
145.04984	15.8
145.10153	8.4
147.11691	7.5
149.13316	9.7
159.11642	5.4
173.13216	5.8
243.21034	5.9
259.20563	5.7
261.22202	17.9
277.21613	8.1
279.23184	7.6
313.01590	5.2
423.27567	14.9
458.30927	7.7
459.24609	29.9
481.82504	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	459.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52366	0.7
55.05498	1.6
56.96565	5.3
57.03430	1.1
59.42118	0.7
60.66912	0.6
61.02909	1.0
69.03433	9.1
69.38352	3.7
73.02895	1.2
75.86329	0.7
81.03414	7.2
83.04960	2.4
84.96046	1.4
85.02895	6.3
89.74149	0.8
97.02901	7.2
98.96935	1.0
98.97581	19.6
99.04451	3.1
101.00871	1.6
107.52827	0.7
109.02907	0.9
110.97578	9.1
111.04433	2.4
112.99137	1.0
113.00847	0.8
113.05996	3.1
116.98628	8.5
118.24562	0.8
119.01891	1.6
124.99117	0.9
127.03883	1.6
128.98627	8.0
129.05438	1.0
131.00168	0.8
131.01913	1.9
132.96556	1.3
134.99646	2.7
137.05946	1.6
138.95569	1.1
141.43311	0.7
143.00163	2.8
143.01904	3.1
145.03464	1.6
145.05008	1.1
146.99623	3.3
147.04332	1.1
151.04108	0.8
152.05670	1.5
155.00166	2.9
156.96588	3.8
157.03459	1.3
158.99683	4.3
161.01256	1.2
161.02957	4.7
170.99675	1.9
173.01212	2.9
173.02867	1.7
174.97655	10.6
177.00803	1.8
177.02675	0.9
178.00699	1.0
180.96654	3.4
182.98117	0.9
185.01279	1.1
186.00253	0.8
187.02759	1.0
192.96938	1.2
192.98660	6.1
195.05089	0.9
197.01270	1.8
197.03015	1.2
198.97649	20.1
199.01042	1.6
199.04472	2.5
199.97861	1.1
200.99191	2.8
201.00870	1.3
201.04338	1.0
202.97118	1.0
203.04034	2.3
209.03201	1.2
210.97658	9.1
211.04729	0.9
212.99179	1.6
216.98708	100.0
217.98895	5.5
218.98456	1.6
219.02048	3.5
220.01733	1.1
220.98209	1.1
221.01852	1.0
221.05087	3.3
223.02174	0.8
223.04417	0.8
223.32402	0.9
224.99210	7.6
227.00673	1.2
228.98701	25.8
229.98802	1.7
231.00273	2.4
233.01747	1.6
234.99745	35.5
235.02094	2.0
235.99960	1.7
236.99231	3.2
237.02930	2.3
237.05998	1.7
240.98691	18.1
241.05643	0.9
241.98976	1.1
242.97815	1.8
243.00266	34.0
244.00479	1.8
244.04311	2.8
244.98152	3.3
246.99718	8.3
247.99924	1.2
249.01448	0.9
250.02705	0.9
252.98643	9.1
254.03369	0.8
255.00127	7.9
256.98199	1.1
257.01804	2.6
258.99765	67.1
259.99841	4.3
261.01285	9.1
263.06168	1.0
267.00272	1.0
270.99774	40.4
271.03146	3.2
271.53287	1.2
271.99966	2.2
273.01352	2.7
274.99231	1.0
277.00839	13.1
278.00903	1.2
279.00281	3.7
280.03741	1.8
282.01291	1.1
282.99683	4.0
285.01294	2.6
289.00800	18.7
291.04169	1.0
294.01352	0.9
297.01309	7.4
297.07278	0.9
298.08051	1.3
301.00827	27.8
302.01022	1.4
303.06650	0.8
305.06927	4.3
307.01611	1.4
315.02292	2.6
319.01862	48.4
320.02011	3.3
320.05276	1.3
327.02277	1.9
329.05673	3.0
329.55774	2.2
337.02896	8.7
339.02417	2.7
345.03412	2.1
348.06836	1.7
350.05948	2.4
350.56168	1.5
356.96606	1.1
357.03522	2.2
361.03033	4.1
363.09131	1.2
369.03339	10.0
370.03989	1.2
379.03857	1.2
381.10144	2.2
387.04465	11.1
388.04504	1.2
399.04575	8.0
399.11261	1.7
417.05487	10.2
418.05396	1.2
435.06750	1.4
459.06528	13.1
459.13104	1.5
460.06824	1.2
477.07315	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
67.56602	0.6
69.03426	0.6
69.30011	3.6
73.02906	0.6
84.53992	0.5
85.02918	0.7
91.05468	0.6
95.04957	0.5
97.02934	0.7
99.04465	0.6
106.06577	0.6
109.02921	0.6
119.04961	0.8
120.06545	0.7
128.99675	0.6
134.04573	2.9
137.06012	0.7
147.04430	1.8
154.08626	1.2
165.02313	2.4
182.04945	18.1
183.05153	0.6
193.12030	0.8
195.13591	2.5
201.03728	1.0
208.02887	23.3
209.03313	1.1
211.13092	2.3
234.07909	1.0
235.08736	0.6
236.14955	0.9
243.04843	2.0
245.06329	1.3
273.01410	0.6
287.03738	34.2
288.04056	1.8
289.05276	12.3
290.05444	0.6
294.98737	0.6
327.08698	12.0
333.07916	8.0
373.18188	0.6
413.16586	1.2
415.19379	5.4
441.16513	2.0
459.18307	100.0
460.18701	8.4
460.24969	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.5
58.06601	0.6
67.05473	0.5
67.55965	0.4
69.03424	1.0
73.10015	0.4
73.27355	0.4
81.03423	0.8
85.02899	1.3
92.06049	0.5
93.07047	0.8
95.99975	0.4
97.02872	1.1
119.04887	0.6
134.04608	3.4
138.05547	0.6
147.04446	1.4
152.05669	0.9
154.08627	1.0
165.02293	2.5
167.02696	0.5
182.04971	23.0
193.11978	0.7
195.13599	1.9
201.03691	1.0
203.05333	0.6
208.02890	31.2
211.13132	1.1
211.54004	0.5
236.15001	1.0
243.04741	3.1
245.06332	1.5
287.03735	29.9
288.04001	0.7
289.05319	9.8
314.09061	0.6
327.08704	17.5
327.14313	0.8
328.08951	0.7
333.07852	6.6
346.21780	0.4
413.17065	1.7
415.19421	4.1
441.16656	1.3
459.18320	100.0
460.18707	8.1
460.24927	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64924	1.1
55.05498	3.5
57.03441	1.9
61.02929	1.2
66.89376	1.0
67.05507	5.4
69.03438	6.4
69.07062	3.5
71.14373	1.6
79.05497	1.7
81.03414	4.3
81.07055	8.1
83.04988	2.1
83.08612	2.5
85.02905	8.7
85.06526	1.1
85.63252	1.0
87.00816	4.2
93.07038	4.6
95.08605	10.0
97.02891	4.5
97.06535	2.9
99.04508	1.6
102.95168	1.0
105.01868	3.1
105.07034	3.0
107.08598	5.9
107.54028	1.2
109.02854	2.7
109.06546	2.9
109.10162	20.0
111.08080	10.6
119.08585	13.1
121.10141	8.2
123.08080	13.1
123.11691	6.2
125.09631	1.3
127.03920	4.4
131.08553	1.0
133.10130	10.9
135.11697	15.1
137.08633	2.4
137.09622	24.5
138.10336	1.7
139.11226	2.1
145.04967	1.8
147.11755	2.5
149.13223	6.0
151.14812	3.5
159.02882	1.5
165.12770	4.1
165.16391	2.2
175.14830	21.4
176.15245	1.3
193.15901	21.0
194.16278	1.3
211.16930	100.0
212.17305	4.7
275.83304	1.1
338.33914	1.2
339.47269	1.1
392.48108	1.1
441.26303	1.2
472.25980	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63607	1.4
53.03939	2.7
55.01870	2.5
55.05508	4.0
67.05515	8.3
69.03433	7.7
69.07078	5.5
69.07729	11.7
71.04983	2.4
81.03426	4.6
81.07058	7.9
83.08614	3.5
85.02902	12.8
87.00826	4.8
93.07034	7.2
95.04977	1.8
95.08595	13.9
97.02897	3.1
97.49576	1.5
99.04428	2.0
99.08103	1.8
105.01852	3.8
105.07014	3.5
107.08607	8.6
109.02880	4.1
109.06513	2.8
109.10159	24.3
111.08089	14.9
116.10794	1.7
119.08559	12.9
120.06936	1.5
121.10162	7.7
123.08051	12.8
123.11701	3.9
125.87524	1.6
127.03892	6.2
130.78824	1.5
133.10139	13.7
135.11684	14.1
137.09616	28.5
137.13202	2.1
138.10388	2.3
139.11215	2.4
145.04961	1.9
147.11728	2.5
149.13274	3.9
151.11208	2.4
151.14799	2.5
159.02962	1.5
165.12782	4.4
175.14813	26.5
176.15152	2.0
193.15906	21.1
211.16930	100.0
212.17200	3.7
285.48166	1.8
459.18463	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13980	1.4
51.15653	1.1
53.03934	5.7
55.01872	12.0
55.05510	73.6
56.05828	1.0
57.03447	5.5
59.05000	2.1
65.03931	3.2
67.05502	54.6
69.03432	7.8
69.07067	19.5
69.46653	3.4
69.47060	2.4
71.04993	2.9
79.05489	59.7
80.05804	1.1
81.03407	4.4
81.07053	44.8
82.07383	1.6
83.04987	7.6
83.08616	31.8
85.06537	3.0
85.48289	1.1
87.04463	1.9
91.05480	54.5
92.05782	1.3
93.03458	1.5
93.07041	29.2
95.04982	6.2
95.05469	1.0
95.08600	16.9
97.06517	3.1
97.10168	52.9
98.23324	2.3
99.08102	1.2
101.09689	1.5
103.05466	28.5
105.03386	2.8
105.04489	1.2
105.07029	41.6
107.04954	7.8
107.08591	28.0
109.06523	6.2
109.10159	12.1
111.08044	3.4
115.05450	17.2
116.06216	2.7
117.07017	70.8
118.07365	1.9
119.04897	1.7
119.08575	18.5
121.06507	4.1
121.10120	5.4
123.08064	3.9
125.09626	51.0
128.06218	9.5
129.07004	36.9
131.04915	5.5
131.08563	49.2
132.08954	1.4
133.06483	11.2
133.10135	7.8
135.08032	13.1
135.11667	1.8
137.09615	2.2
141.06985	16.1
142.07759	2.9
143.04901	2.5
143.08560	18.2
143.10701	3.0
144.05716	1.6
145.06483	17.5
145.10123	18.7
146.07114	1.3
147.04422	1.5
147.08063	7.4
147.11687	3.0
149.09633	7.0
149.74136	1.4
153.07010	2.9
153.09085	7.2
154.07718	2.9
155.08565	22.4
156.09338	2.5
157.06522	9.4
157.10136	10.1
159.08069	8.7
159.11671	6.6
161.09615	2.4
163.11229	2.3
165.06963	1.7
166.07787	1.8
167.08548	6.1
168.09319	3.1
169.10094	13.9
171.08005	4.9
171.10262	2.9
171.11685	9.0
173.09665	3.4
173.13280	5.1
175.11185	2.1
179.08572	2.7
181.10133	5.0
182.10945	2.4
183.08090	1.5
183.11664	4.8
185.09656	3.0
185.13280	4.7
187.14810	22.1
189.11217	35.7
189.12674	1.5
191.08649	1.3
191.10580	1.3
193.10167	2.4
193.12154	1.4
194.10864	1.6
195.08055	2.4
195.11678	6.7
197.09584	3.2
197.13249	23.9
199.11169	3.2
207.11737	2.4
209.13272	2.7
211.11296	1.9
211.14928	2.9
213.12798	6.5
215.14310	100.0
216.14610	5.9
219.11699	2.6
221.13260	2.5
223.11183	1.8
223.14862	2.5
225.12787	2.4
227.12724	35.0
231.13908	1.4
233.13347	1.6
233.15395	3.3
237.12680	3.1
241.12204	6.0
245.13901	4.8
251.14334	2.2
253.15797	3.0
255.13779	2.5
257.15390	2.9
259.13202	2.5
269.15436	3.1
271.16904	8.7
273.14905	2.6
283.16666	1.1
287.16388	1.4
288.99265	1.1
289.18036	1.8
315.15698	1.5
321.22144	3.1
331.20685	2.6
339.23163	7.9
349.21576	19.1
350.22098	1.4
357.24179	2.4
367.18015	2.6
367.22656	41.2
368.22968	3.0
385.23724	23.7
386.23831	1.2
403.24689	6.3
415.29324	1.2
423.25055	3.2
441.26349	57.0
442.26764	4.5
459.21127	2.9
459.27390	84.9
460.19189	1.4
460.27670	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	459.274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53334	1.2
53.03940	3.6
55.01871	11.3
55.05510	68.8
56.05834	2.1
57.03426	5.4
57.07069	1.4
59.04975	1.5
62.29068	1.2
65.03932	2.8
67.05505	58.6
68.05836	1.3
69.03417	5.1
69.07062	16.0
69.54934	6.4
71.04986	1.4
76.76350	1.0
77.03918	1.2
79.05493	60.1
81.03408	3.7
81.07053	43.5
83.04980	6.7
83.08612	30.6
85.06554	3.6
91.05478	56.1
93.07043	24.9
95.04956	7.7
95.08614	14.6
97.06538	3.2
97.10168	50.7
99.08084	1.5
103.05460	25.8
104.82465	1.4
105.03394	3.8
105.07027	40.8
107.04949	7.8
107.08591	26.6
109.06512	3.7
109.10143	8.5
111.08081	2.9
115.05446	15.4
116.06265	1.9
117.07015	73.0
118.07385	2.4
119.04981	2.4
119.08585	22.7
121.06519	5.3
121.10132	6.1
123.08085	2.0
125.09624	46.9
128.05417	1.4
128.06226	8.9
129.06999	33.3
131.04964	6.0
131.08565	43.8
133.06485	10.5
133.10101	7.4
135.08044	10.5
135.11723	1.3
137.09659	2.0
141.06984	18.1
142.07802	2.1
143.04907	2.0
143.08563	18.2
143.10666	1.8
145.06471	17.6
145.10124	18.0
147.08038	6.1
147.11661	2.6
149.09627	6.0
153.07002	3.4
153.09102	5.0
154.07745	2.1
155.08543	20.4
156.09424	2.8
157.06505	8.1
157.10094	10.2
159.08025	7.5
159.11717	4.9
161.06024	2.0
161.09561	1.5
163.11247	2.4
166.07771	1.9
167.08546	9.0
168.09354	2.2
169.10117	11.6
171.08073	5.3
171.10208	2.8
171.11681	9.2
172.31763	1.2
173.09627	3.4
173.13281	4.1
175.11218	1.5
179.08600	3.6
181.10100	4.2
183.08055	1.8
183.11708	2.0
185.09651	3.2
185.13290	3.9
187.11272	1.8
187.14801	18.5
189.11209	31.7
193.10042	2.8
195.11726	4.3
197.09644	1.8
197.13264	18.1
199.11209	3.0
205.10118	1.8
207.11707	2.6
209.13268	4.1
211.11209	1.3
211.14964	1.3
213.12752	5.6
215.14305	100.0
216.14677	6.3
217.12260	1.4
221.13231	2.4
223.11179	2.7
223.14844	1.9
225.12805	2.0
227.12743	42.5
231.13773	1.5
233.13333	1.5
233.15392	3.4
237.12720	1.6
239.14311	1.7
240.60954	1.3
241.12250	5.6
245.13792	3.9
251.14284	1.8
259.13275	2.4
269.15350	3.0
271.16983	8.0
287.16385	1.7
321.22107	3.4
331.20554	2.6
339.23035	5.5
349.21686	15.3
350.21918	1.5
357.24237	2.5
367.22690	37.4
368.23117	4.6
385.23618	22.7
403.24759	6.9
423.25449	2.2
441.26355	53.4
442.26831	6.1
459.27380	69.0
460.27667	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	460.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
57.03176	0.4
57.03426	2.5
59.05006	5.2
61.02928	0.8
65.03956	0.7
69.03432	11.1
69.25629	1.2
69.26048	1.5
71.01370	0.5
71.04985	0.8
73.02918	2.5
73.06171	0.8
73.06557	9.8
80.62260	0.4
81.03427	4.1
83.04970	0.6
85.02908	4.0
91.05479	5.5
95.04969	1.9
97.02898	7.4
99.04453	4.8
101.02376	0.7
107.04952	1.1
109.02876	1.4
115.03923	1.5
117.09126	1.4
119.04940	15.1
120.05314	0.6
121.06512	1.3
123.04430	13.8
124.04699	0.5
127.03914	2.4
131.10648	1.6
145.04996	0.6
147.04407	100.0
148.04761	3.2
149.11734	8.9
165.05484	10.6
187.06021	0.5
225.58925	0.4
267.08658	2.8
291.08578	1.1
309.09683	15.6
310.09970	1.2
460.18747	1.8
461.19424	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50064	0.4
50.52610	0.4
52.51049	0.5
55.05496	0.5
57.00529	0.4
57.03430	1.5
58.83941	0.4
59.05010	1.1
65.03941	0.7
67.88258	0.4
69.03434	10.8
70.10402	1.0
70.30497	0.4
71.04991	0.6
72.08139	0.5
73.02915	0.6
73.06566	0.8
73.70316	0.4
81.03420	3.0
83.04977	0.5
85.02895	2.6
87.04463	0.8
91.05489	5.4
95.04979	1.8
97.02908	5.6
99.04456	3.8
101.02428	0.6
107.04974	1.2
109.02888	1.4
112.74487	0.4
115.03931	0.8
119.04951	13.9
121.06529	1.1
123.04436	13.9
125.33554	0.5
127.03930	2.6
127.04766	0.5
133.04964	0.5
147.04416	100.0
148.04738	2.8
149.11760	1.5
165.05486	10.3
187.05948	0.5
198.28378	0.4
219.09189	0.9
267.08676	3.0
281.09183	1.8
291.08603	1.2
309.09708	13.9
310.09970	0.6
460.18420	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	4.6
58.06588	5.7
59.07361	2.5
60.08179	1.9
69.03446	9.4
70.93150	1.8
71.29163	2.8
73.02914	3.7
81.03411	3.1
83.05000	3.1
83.89025	1.8
85.02897	6.9
87.04465	2.9
89.06027	7.9
91.05488	5.9
93.07087	2.1
95.04955	2.6
97.02885	6.1
105.07070	2.6
115.03919	2.5
119.04952	15.7
127.03962	2.3
133.08586	3.8
145.04961	2.2
145.75174	1.8
147.04410	100.0
148.04758	3.1
163.03912	2.2
165.05452	2.3
236.14899	19.9
309.09665	5.0
320.58057	2.2
322.31995	1.8
442.24237	4.2
460.18704	6.5
460.25342	10.1
461.10422	8.2
461.19952	14.9
461.25717	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	460.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	9.9
56.05045	0.6
57.05814	1.1
69.03426	1.5
69.40723	2.8
70.06593	0.8
72.08154	100.0
73.08495	1.6
76.66423	0.5
81.10300	0.5
83.04994	0.5
85.02908	2.6
94.74886	0.5
97.02898	1.3
98.97622	0.6
102.39596	0.6
118.08649	68.1
119.08986	1.1
127.03905	1.7
145.04955	2.1
147.04387	1.4
165.37849	0.5
322.33521	0.5
325.78839	0.5
366.68521	0.5
392.28760	0.6
460.08792	2.1
461.11603	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2538
Annotation	Theopederin E
Peak:m/z	Relative Intensity
51.81696	0.3
53.00291	0.6
53.03918	0.6
53.71346	0.3
54.76599	0.3
55.01849	1.2
55.05517	2.6
55.68454	0.3
57.03436	7.1
58.06599	36.6
58.07014	1.0
59.04967	0.5
59.07382	11.2
60.08163	10.0
60.08454	0.4
67.05492	1.7
69.03453	0.6
69.03844	3.0
70.80519	0.3
71.01350	0.4
72.26452	0.3
73.02877	1.5
75.04481	4.0
79.05457	1.4
80.16576	0.5
81.03401	0.8
81.07056	2.3
83.04965	0.8
83.08610	1.6
84.08099	0.9
85.02520	0.3
85.02895	3.3
87.04461	4.5
91.05485	2.6
93.05502	0.6
93.07061	1.7
95.04886	0.4
95.08599	0.4
97.02868	1.1
97.06516	0.8
98.23347	0.8
99.00818	3.0
100.11266	0.5
101.05971	0.5
102.05534	0.5
103.03914	0.7
105.05507	1.6
105.07031	2.2
107.04925	0.9
107.08562	1.0
109.02849	1.3
109.06512	0.6
109.10172	0.4
112.30937	0.3
113.05962	0.6
115.03935	0.8
116.10722	0.4
117.07002	0.6
119.08597	0.7
121.06464	1.1
131.07037	2.0
131.08549	0.5
133.10107	3.1
135.07991	0.3
139.07547	0.4
144.09099	0.6
144.10187	9.1
145.10170	0.4
151.11198	0.6
161.09593	1.6
162.11259	5.6
179.10698	0.6
189.09055	0.8
200.12805	0.4
212.12827	0.4
218.13847	0.5
235.08606	0.5
236.14914	100.0
237.15257	3.6
281.09125	0.7
285.56900	0.4
305.11285	0.4
355.17282	0.4
365.72739	0.3
398.25235	0.5
442.24353	21.7
443.24866	2.1
460.25409	87.2
461.25781	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	460.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80204	0.3
55.01853	0.5
55.05510	2.2
56.05016	0.4
56.26810	0.3
57.03439	6.3
57.07075	10.2
58.06599	41.6
58.07015	1.1
59.07382	12.5
60.08162	12.2
62.46869	0.4
65.03920	0.4
67.05507	4.7
69.07067	3.0
71.08633	5.6
73.02899	1.2
75.04482	3.8
79.05449	1.4
80.17388	0.4
81.07054	3.5
83.08592	1.5
84.08125	0.9
85.02899	2.1
85.06499	0.4
85.09809	0.3
85.10186	3.5
87.04468	4.2
88.65188	0.4
89.06015	0.3
91.05484	2.6
93.07022	1.3
95.04965	0.5
95.08600	4.6
97.10155	0.7
98.23306	0.8
100.11230	0.4
102.05540	0.5
103.03954	0.5
105.05501	1.1
105.07042	0.5
109.10135	2.0
113.05979	1.0
119.04936	3.8
119.08570	0.7
121.10129	0.6
123.11707	0.8
125.09645	0.3
130.08638	0.3
131.07047	2.2
131.25482	0.4
133.10089	0.4
144.10208	9.9
145.10304	0.5
147.04408	18.1
149.13025	0.4
158.64977	0.4
162.11246	1.8
165.05484	0.4
200.12831	0.9
236.14917	100.0
237.15219	3.9
299.25717	1.5
355.28766	0.5
398.36307	0.8
442.35226	28.5
443.35596	2.7
460.36307	95.7
461.30392	0.6
461.36807	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	461.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.9
55.05512	2.1
57.03436	0.7
58.74871	0.7
62.00835	0.7
63.61067	0.7
64.94465	0.7
67.01648	0.8
67.05499	3.4
68.70232	0.8
69.03432	2.8
69.07077	2.1
71.04984	1.1
71.29061	0.8
79.05501	3.5
80.09982	0.7
81.03422	2.7
81.07069	4.5
83.04965	1.0
83.08649	1.4
85.02907	2.4
91.05464	1.9
93.07061	2.9
95.04986	1.1
95.08613	3.8
97.02908	2.3
97.06521	2.2
97.10191	0.9
98.42046	0.8
100.11232	1.2
105.07034	3.0
107.04918	0.9
107.08595	2.8
109.02901	1.1
109.06546	2.1
109.10142	2.3
109.43563	0.7
111.04449	0.8
113.09661	0.9
119.08614	2.0
121.10168	2.0
125.05991	1.2
127.03953	1.7
131.08554	1.8
133.10092	1.8
135.08090	1.0
135.11656	0.9
137.05934	1.4
137.09613	1.3
143.08633	1.5
145.10094	1.2
147.04451	1.0
147.11694	1.7
151.07568	1.6
157.10083	1.7
159.11768	0.9
165.09140	3.4
167.08873	0.9
171.11684	1.1
173.09692	1.0
195.08394	1.2
195.17494	0.8
197.09616	1.0
213.09454	6.2
213.12770	1.8
213.14615	11.9
241.14110	10.3
255.15616	1.1
299.08939	3.4
357.18808	2.4
375.19901	28.5
376.20200	1.5
417.20944	61.9
418.21280	4.6
443.31766	1.0
461.14053	73.7
461.19989	100.0
462.14481	5.8
462.20319	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	462.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24833	2.9
53.61281	3.1
55.05510	3.8
62.20141	2.9
69.03448	7.9
71.05012	4.8
71.29382	4.9
71.29747	3.8
73.04752	18.1
80.05037	3.2
83.04984	32.1
85.02891	14.0
85.06537	15.0
91.05856	24.7
95.04951	7.1
97.02871	8.3
99.04435	4.8
101.06021	7.3
105.07062	3.7
107.04969	5.0
119.04965	19.6
119.05661	3.5
123.04414	15.7
130.75581	3.9
133.06474	10.6
135.04344	4.4
147.04396	100.0
148.04755	8.3
149.04898	3.4
163.03923	9.7
165.05453	5.6
167.05573	17.7
193.04926	4.1
201.05478	6.0
213.33644	3.4
219.06622	4.9
237.07526	9.6
245.00848	4.0
283.08008	4.3
283.11484	7.5
301.12640	26.8
309.09909	5.5
325.09152	11.9
336.09952	5.0
359.02832	23.1
360.02548	4.0
377.00504	3.7
429.08511	8.1
462.17047	6.1
463.11890	9.9
463.17749	46.4
466.41806	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	462.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30410	3.0
55.01828	3.7
55.05515	6.1
60.36211	4.1
67.05521	5.4
69.03436	11.7
70.54414	9.8
71.05003	5.2
73.04751	16.5
79.16403	3.3
83.04983	39.1
85.02911	13.1
85.06530	16.4
91.05869	22.2
95.04975	4.8
97.02901	8.6
101.06049	5.5
101.84016	3.0
103.05489	5.4
105.07027	4.9
105.38278	3.4
105.86703	3.5
107.08638	4.1
115.03964	4.0
119.04971	18.9
119.05692	3.5
123.04446	14.9
127.03928	5.0
133.06471	8.8
135.04436	7.1
147.04411	100.0
147.05492	7.3
148.04762	11.7
149.04889	3.8
163.03906	14.9
165.05545	7.6
167.05600	9.9
193.05016	9.3
200.51144	3.5
201.05507	8.2
219.06584	13.7
225.04269	6.0
237.07614	21.6
265.14316	3.9
283.08188	8.4
283.11313	7.2
301.12604	24.7
309.09561	5.7
309.95187	3.4
325.09222	14.3
342.99884	4.1
359.02826	23.1
360.03119	3.8
407.33359	3.7
409.15305	4.6
429.08972	10.4
462.17899	5.9
463.12054	8.6
463.17816	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18747	5.2
57.03455	7.2
62.26414	5.1
69.03416	15.1
69.61004	6.2
70.44454	14.1
73.04764	15.4
78.92197	5.9
79.05510	5.9
83.04985	10.0
85.02922	7.0
86.59657	5.6
88.28873	6.1
89.06033	11.1
91.05859	14.9
93.07047	10.0
95.04978	13.2
95.08550	11.4
97.02874	7.2
105.07034	12.1
107.79114	5.5
109.06469	7.2
109.25703	6.7
111.04429	9.4
119.04937	14.0
119.08582	11.2
119.86404	7.0
121.06513	7.9
123.08085	8.2
133.08632	9.6
135.08041	16.0
143.08578	8.8
147.04410	92.2
147.08002	7.6
148.04767	6.6
159.11723	12.1
161.09612	9.6
165.09137	7.0
167.05496	6.7
175.07538	15.0
187.11131	7.5
193.08553	7.3
198.97461	5.9
201.12831	7.2
203.10704	7.3
247.13359	28.1
265.14331	100.0
283.11560	11.8
283.17496	19.3
301.12595	17.7
359.02777	13.8
462.16443	21.9
463.12137	12.9
463.17850	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50676	7.1
53.03936	7.1
61.02909	7.4
62.32817	5.6
67.05495	9.2
69.03418	23.3
70.06575	5.6
70.27202	21.4
71.04995	6.5
73.04748	27.6
79.05521	5.5
81.07057	6.3
83.04950	14.0
84.08131	6.6
85.02918	28.3
89.06039	62.9
91.01551	5.7
91.05849	49.6
93.07023	10.7
95.04983	17.6
97.02887	12.9
97.06503	6.8
98.23278	6.3
99.04468	5.9
105.07013	22.1
105.26737	6.7
109.02891	8.9
109.06541	8.5
111.04450	7.8
119.04910	7.8
119.08646	7.5
121.06520	8.5
129.06969	7.5
131.08545	10.6
131.70483	6.0
133.08585	28.5
135.08032	18.5
138.09132	6.1
145.04918	6.7
145.10133	10.4
147.04427	52.0
147.08049	8.8
148.04726	8.8
148.19418	7.7
149.04587	7.9
154.25841	6.0
159.08133	7.4
159.11723	7.6
161.09601	7.0
167.05545	26.0
175.07559	12.7
175.11278	8.5
177.11241	10.9
187.11151	9.4
210.60954	5.7
219.06580	8.1
225.04228	13.6
232.30119	7.4
247.13280	19.1
265.14398	82.6
283.11462	22.6
283.17444	48.3
295.08887	6.3
300.18030	23.6
301.12436	39.7
342.99731	8.8
359.02884	38.4
429.08878	14.0
462.16684	20.0
462.23239	52.4
463.11948	28.9
463.17676	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	463.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.3
55.05508	2.2
56.96570	56.4
57.03431	1.0
61.02926	1.1
61.39428	0.7
69.03438	11.1
70.03726	1.1
70.06595	4.0
71.04979	1.6
71.20265	1.3
72.96043	1.5
73.02897	1.1
74.97608	4.3
81.03426	9.0
83.04996	1.9
84.96029	2.4
85.02920	6.6
85.06541	1.8
97.02912	3.2
98.97590	18.1
98.98207	1.7
99.04478	4.8
100.04836	1.0
101.00900	1.1
104.80737	1.0
105.00165	8.8
108.99742	0.9
110.97591	3.0
112.08736	1.1
112.99145	1.9
113.05990	4.9
114.05537	1.7
114.06303	0.9
116.98615	6.4
118.45169	0.9
119.01908	1.9
123.01202	11.2
124.99156	3.0
126.97079	2.9
127.00701	3.2
127.03931	1.6
128.07092	1.5
128.98615	2.7
131.01978	1.4
131.07132	0.9
132.99649	5.3
133.21165	0.9
134.99606	1.1
136.99104	1.9
139.00681	8.6
140.98634	1.5
141.02254	4.8
143.00145	2.3
143.01909	3.4
144.98090	10.0
145.01761	2.5
145.04953	1.5
146.99631	1.3
151.00670	23.5
155.00162	3.8
155.01929	1.2
157.01740	7.0
158.99695	4.8
159.03220	2.4
161.02994	3.5
161.54810	1.0
162.99153	10.5
163.02663	1.4
167.00185	4.8
168.03642	5.9
169.01743	36.1
170.99719	1.8
171.05008	1.3
173.01239	2.3
173.03017	1.0
175.02821	1.6
176.98682	2.5
177.00751	2.1
181.00269	2.2
183.03239	1.1
185.01245	7.0
187.02795	22.5
187.04482	1.8
189.00780	1.5
193.01796	1.5
194.99672	16.5
195.03354	2.2
197.01250	4.7
198.01465	0.9
198.98497	2.7
199.04572	2.0
201.00752	1.0
201.04265	2.3
201.06010	1.0
203.02223	1.3
203.03995	1.8
205.03888	1.8
209.39220	0.9
211.02745	1.8
213.00726	32.9
213.04192	1.8
215.02325	2.5
219.01740	3.1
221.04970	2.6
223.04910	1.2
223.10738	1.2
230.03699	1.2
231.01791	27.3
239.02327	2.9
245.04927	2.9
249.02800	7.8
255.01837	1.5
257.03372	2.9
263.06271	1.7
265.00110	1.1
265.13040	1.9
271.06680	1.0
273.02902	3.4
283.01236	8.5
283.14093	1.1
291.09219	3.5
291.59460	3.5
292.04437	1.7
298.08215	2.7
298.58328	3.4
299.08292	1.3
301.02328	50.2
301.07874	2.8
302.02628	1.8
305.58936	1.5
308.06534	1.9
314.09457	1.3
314.59610	2.4
317.05603	1.7
319.03357	52.1
320.03748	1.8
324.04568	1.1
324.09390	1.0
325.02234	5.6
333.04678	1.5
343.03375	100.0
344.03699	2.8
361.04425	49.2
362.04861	2.4
384.05777	1.3
463.13678	2.9
463.20340	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	463.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50294	0.5
53.03945	1.0
54.63217	0.5
55.01873	3.6
55.05513	3.7
57.03447	2.6
65.03932	0.6
67.05505	8.8
69.03425	1.0
69.07070	14.4
70.56995	1.0
70.57323	1.0
71.04994	0.8
79.05491	16.8
81.03413	1.4
81.07053	3.7
83.04973	1.4
83.08620	1.1
85.06549	0.7
89.03918	5.6
91.05469	7.3
92.60389	0.5
93.07047	7.3
95.04974	2.3
95.08599	2.3
97.06533	76.3
98.06858	1.6
99.82469	0.6
105.03366	0.9
105.07005	2.9
107.04968	2.6
107.08612	4.3
109.06541	0.8
109.10170	0.8
115.05490	0.7
117.03384	5.2
117.07034	3.2
119.04947	0.5
119.08588	2.2
121.06494	0.8
121.10155	0.7
123.08080	1.1
125.09634	0.5
129.07014	0.9
131.04944	0.7
131.08511	0.7
133.02867	1.6
133.10136	1.6
134.03615	2.8
135.04414	9.7
135.08040	3.8
135.11719	3.8
145.02838	10.0
145.10121	1.8
147.04401	0.8
149.09714	0.7
155.08583	0.6
159.04420	5.2
159.09218	1.6
161.02338	16.4
162.02844	1.2
163.03905	58.4
163.11168	4.6
164.04164	1.4
169.06522	0.6
173.02342	25.3
174.02745	1.1
175.03934	0.5
185.05980	1.3
187.03973	0.8
187.07663	0.8
191.10684	0.7
209.11778	1.0
215.07030	33.5
216.07411	1.5
227.12762	3.8
259.09656	100.0
260.10013	4.5
327.40570	0.5
463.22021	1.2
463.27335	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.01880	8.5
55.05514	10.6
55.91173	0.8
57.03436	3.8
59.04998	0.8
65.03930	2.3
67.05508	25.0
69.03433	1.9
69.07071	18.1
69.90039	1.3
69.90445	2.8
71.01362	1.5
71.04989	4.2
77.03971	0.7
79.05497	37.9
80.05845	0.7
81.03416	8.6
81.07060	17.5
83.01353	3.7
83.04993	8.6
83.08625	4.8
85.02911	2.1
85.06525	1.8
89.03928	5.9
91.05481	23.0
93.07047	28.8
93.07636	1.4
95.04977	7.3
95.08600	5.7
97.02888	1.8
97.06538	71.3
97.10165	2.9
98.06863	1.5
103.05524	1.1
105.04498	0.9
105.07023	5.6
107.04954	7.1
107.08594	18.4
109.06532	3.9
109.10129	3.9
111.04443	1.1
111.08110	1.6
115.05452	1.7
117.03388	7.4
117.07034	10.1
119.08578	6.3
121.06509	1.7
121.10133	5.5
122.18959	0.9
123.08106	3.8
125.09618	3.1
128.62860	0.8
129.06982	1.4
130.06621	0.7
130.07773	1.4
131.08559	1.7
133.02838	1.2
133.10129	3.1
134.03635	1.8
135.04424	14.2
135.08070	9.1
135.11703	20.7
137.09604	1.3
145.02852	12.3
145.10133	8.7
147.08040	1.6
147.11757	0.7
151.11148	0.9
153.12729	2.7
154.30748	0.8
155.08516	1.2
159.04395	1.0
159.09192	1.5
161.02350	4.2
162.03113	0.8
163.03908	72.7
163.11185	16.1
163.12491	1.4
164.04247	1.9
173.02359	12.5
173.09601	2.2
179.33047	0.8
181.12219	5.4
191.10666	3.0
199.13333	1.0
209.11720	4.9
215.07047	15.7
227.12796	2.4
253.14520	0.8
259.09665	100.0
260.09982	4.7
357.17239	0.8
364.66290	0.7
396.18414	0.8
407.53085	0.9
450.56607	0.8
463.27734	15.6
464.27371	1.2
479.69348	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.1
55.01877	7.3
55.05508	14.2
57.03432	6.9
57.97012	1.4
58.06590	2.3
59.04998	3.0
61.02904	2.1
67.05499	9.5
69.03427	2.7
69.07059	2.7
70.44348	2.0
70.44680	3.0
71.04998	2.1
73.02922	2.5
79.05502	14.9
81.03406	11.1
81.07056	11.9
83.01346	10.6
83.04976	9.7
83.08632	9.2
85.02895	8.5
85.06561	1.5
91.05454	8.1
93.07047	15.6
95.04973	4.6
95.08626	7.0
97.02900	5.3
97.06535	3.7
99.04454	2.5
105.07043	6.9
107.04942	7.9
107.08604	10.9
109.06525	4.1
109.10172	3.1
111.04453	3.1
111.08083	2.1
117.07008	5.8
119.08593	5.7
121.06532	3.5
121.10162	4.8
123.08102	4.2
125.05991	2.5
127.03929	2.3
129.07030	1.9
131.08542	3.1
135.08080	1.7
135.11705	11.9
145.10088	11.6
147.08109	2.2
149.09641	2.4
153.12752	5.6
163.11171	23.2
173.09644	4.1
181.12251	5.0
191.10619	5.8
203.75813	1.8
209.11736	19.0
227.12811	14.4
237.15167	1.8
250.15135	1.8
252.61896	1.5
283.15396	100.0
284.15656	4.7
301.06982	7.2
427.19656	4.2
463.19104	6.2
463.27078	2.2
463.32590	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	463.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.8
53.03952	3.9
55.01873	19.9
55.05513	21.0
55.30027	0.4
57.03438	8.6
57.07077	1.4
59.04997	3.2
65.03941	4.2
67.05505	29.3
69.03417	2.0
69.07073	6.1
70.00518	0.4
70.00841	1.2
71.01357	2.5
71.04996	4.8
77.03938	0.9
79.05495	71.5
80.05824	1.5
81.02928	0.5
81.03419	17.5
81.07058	25.2
83.01345	16.8
83.01860	0.5
83.04985	15.2
83.08621	9.5
85.02905	4.6
85.06547	1.5
91.05480	100.0
92.05802	2.3
93.07044	53.2
94.04190	0.4
94.07378	1.2
95.04971	11.2
95.08614	10.0
97.02877	3.3
97.06534	7.7
97.10169	2.4
98.23248	0.5
99.04453	2.4
103.05453	2.0
105.03394	1.5
105.04507	2.2
105.07030	16.7
107.04957	17.0
107.08596	45.1
108.05251	0.4
108.08936	0.7
109.02924	0.5
109.06518	10.2
109.10172	3.4
111.04437	6.2
111.08084	3.3
113.06029	0.5
115.05452	14.2
116.06284	0.7
117.07017	71.5
118.07372	2.5
119.04974	0.6
119.06078	0.9
119.08575	13.7
120.08913	0.5
121.06519	4.7
121.10142	8.8
123.04472	0.6
123.08068	9.3
125.06010	2.4
125.09638	3.7
128.06230	0.8
129.05469	1.1
129.06996	1.4
130.07819	1.8
131.04968	0.8
131.08569	5.0
133.06540	0.7
133.10126	2.8
135.08052	73.4
135.11681	12.7
136.08327	2.1
137.05978	0.7
137.09615	3.2
139.07545	1.3
139.11133	0.5
143.08586	0.9
145.06491	2.7
145.10127	18.2
146.10478	0.9
147.08022	3.0
147.11685	1.0
149.06061	0.7
149.09605	1.1
151.11224	0.7
153.05502	0.4
153.09123	3.4
153.12758	4.0
155.08565	1.8
163.07545	7.3
163.11182	32.4
164.11533	1.2
173.09625	4.9
174.09978	0.4
177.12918	0.5
181.08624	5.2
181.12207	4.8
191.10655	4.3
199.09695	3.9
209.11714	8.2
213.45457	0.4
227.12717	3.6
239.98335	0.4
249.62343	0.4
253.14326	0.5
255.12282	0.7
259.09753	0.8
283.15414	4.1
365.74039	0.5
385.11008	0.4
432.84363	0.4
463.23160	38.7
464.23480	4.0
464.29816	1.2
485.39600	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.6
53.03942	5.1
54.58340	0.4
55.01875	22.8
55.05513	22.9
56.18342	0.4
57.03437	6.8
57.07077	1.1
57.36324	0.4
59.05003	2.9
65.03941	3.7
67.05506	26.3
69.03429	3.1
69.07073	4.6
71.01352	2.3
71.04993	4.7
73.02930	0.8
73.06588	0.5
77.03934	1.1
78.04689	0.5
79.05494	75.8
80.05824	1.4
81.03421	16.7
81.07057	25.0
83.01343	17.1
83.04485	0.8
83.04982	15.1
83.08620	9.3
85.02905	4.6
85.06548	1.5
91.05482	100.0
92.05815	1.7
93.03406	0.5
93.07044	52.5
94.07384	1.1
95.01326	0.4
95.04968	13.2
95.08611	8.9
97.02925	2.5
97.06531	8.5
97.10178	2.4
98.22608	0.8
99.04459	2.1
99.08101	0.6
103.05470	1.4
105.03419	0.6
105.04514	2.0
105.07034	15.8
106.07364	0.5
107.04955	20.8
107.08595	43.1
108.08969	1.0
109.02859	0.8
109.06517	9.6
109.10155	2.6
110.30242	0.5
111.04451	5.1
111.08108	2.7
111.11694	0.5
113.05994	0.4
115.05459	13.7
116.06242	0.6
117.07019	72.3
118.07334	2.1
119.04895	0.7
119.06062	1.1
119.08584	13.6
119.09441	0.7
120.08839	0.8
121.06518	4.1
121.10138	7.4
123.04462	0.7
123.08073	9.2
124.26215	0.4
125.05984	1.8
125.09613	3.1
125.91267	0.5
128.06247	0.7
129.06995	1.9
130.07870	2.5
130.08705	0.5
131.04991	0.6
131.08571	4.1
133.06523	1.1
133.10127	2.3
135.08054	69.6
135.11671	11.0
136.08472	2.0
137.05966	1.0
137.09633	2.8
139.07547	1.4
143.08592	1.2
145.06473	2.7
145.10126	16.4
146.10455	0.5
147.08041	2.6
147.11629	0.5
149.09605	0.7
153.09123	2.2
153.12775	2.9
155.08586	1.3
162.12033	0.4
163.03908	0.7
163.07542	6.1
163.11188	31.4
164.11505	0.8
173.02385	0.6
173.09631	4.3
179.43987	0.5
181.08583	4.4
181.12233	5.0
191.10707	3.9
199.09698	3.1
209.11754	8.6
215.07118	0.7
227.12735	4.1
259.09689	1.0
283.15353	3.3
372.45715	0.5
399.17133	0.5
463.23254	45.4
464.23788	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	463.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.7
51.63836	0.6
53.03947	6.2
55.01874	18.0
55.05513	43.8
57.03160	1.1
57.03436	18.7
57.07082	3.8
59.04999	4.1
59.99004	0.7
65.03940	3.7
67.05504	84.9
68.05816	0.9
69.03435	3.5
69.07069	26.6
69.81908	3.0
71.01360	6.2
71.04992	12.8
73.02912	0.7
77.03935	2.1
79.05492	95.2
80.05820	1.6
81.03416	23.9
81.07056	52.5
82.07382	1.3
83.01341	13.2
83.04982	31.0
83.08620	19.6
83.09116	1.0
84.15382	0.7
85.02913	5.0
85.06535	5.5
89.03909	2.4
91.05477	60.1
92.05803	1.8
93.07043	100.0
94.07380	2.9
95.04971	23.0
95.05560	1.4
95.08605	20.0
97.02875	4.3
97.06531	46.6
97.10169	15.0
97.10775	1.2
98.06874	0.7
99.04461	5.2
99.08096	3.0
103.05471	2.7
105.04523	2.9
105.07029	22.1
106.07391	1.2
107.04964	20.4
107.08595	63.1
109.02881	1.3
109.06521	11.2
109.10155	10.3
111.04433	5.9
111.08068	5.2
115.05453	4.0
117.03377	3.8
117.07018	26.3
118.07355	1.3
119.08578	18.9
121.06512	7.8
121.10138	19.2
121.11015	1.0
123.04487	1.1
123.08076	11.7
125.06020	2.8
125.09621	4.7
128.06244	1.1
129.07031	3.2
130.06963	0.7
130.07770	4.0
131.08562	5.9
133.06471	1.0
133.10135	6.7
135.04431	9.7
135.08061	13.6
135.11690	84.6
136.12053	2.2
137.06001	0.7
137.09596	4.1
139.07535	1.4
143.08603	2.5
145.02843	6.8
145.06483	1.7
145.10123	34.1
146.10478	1.7
147.08080	4.4
147.11722	1.5
149.09648	2.0
151.11198	1.8
153.12747	12.1
155.08617	2.6
157.10039	0.9
161.02399	2.1
161.09702	0.9
163.03900	40.8
163.11182	50.9
164.04300	1.3
164.11505	1.5
173.02336	3.9
173.09633	5.7
181.12233	20.8
191.10681	5.8
199.13327	1.9
209.11736	13.2
209.13788	0.7
215.07018	5.7
227.12749	10.5
229.16704	0.8
239.89830	0.8
255.16013	2.0
259.09659	44.1
260.10184	2.4
265.14468	1.1
283.15518	2.4
344.78116	0.8
445.25586	1.4
463.27069	66.2
464.27499	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	463.3783
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
53.03947	1.7
55.01866	1.9
55.05516	19.1
57.03442	1.2
57.07083	26.8
65.03937	1.4
66.96864	1.2
67.05506	8.9
69.03461	1.6
69.07072	33.3
71.08639	15.9
77.47124	1.3
79.05499	7.7
81.07061	20.9
81.27097	1.2
83.04988	4.3
83.08625	19.6
85.06509	1.2
85.10197	6.9
91.05449	6.9
93.07047	13.5
94.95181	1.6
95.04972	5.0
95.08614	15.9
97.06546	2.6
97.10178	13.1
98.23412	4.0
105.07016	6.9
107.08604	12.8
109.06500	7.6
109.10171	9.8
111.08078	5.0
111.11745	8.3
116.06171	1.3
117.06992	1.4
119.08580	4.9
121.06500	3.9
121.10130	6.2
123.04449	1.3
123.08069	4.0
123.11722	4.2
124.05260	1.6
125.06024	9.6
125.13292	2.2
127.03955	2.0
131.08580	5.9
133.10126	5.3
135.08105	6.8
135.11702	3.2
137.05988	23.3
137.09656	2.2
139.07547	34.7
145.10182	2.2
147.07980	2.8
147.11684	4.8
149.06020	6.3
149.09637	11.0
149.13246	2.2
151.07564	15.4
151.11212	2.3
152.08298	1.2
153.09160	3.6
155.07039	3.5
157.10112	2.6
159.11749	2.5
161.09624	4.2
161.13239	3.8
163.07559	2.5
163.11159	3.1
163.14822	2.6
165.05504	12.7
165.09181	7.9
167.07079	12.6
170.61964	1.4
171.11716	3.6
171.13828	1.7
173.13255	2.3
174.18591	1.4
175.07596	2.5
175.11147	3.0
175.14815	2.1
177.09123	100.0
177.16499	1.4
178.09500	3.8
179.07066	11.9
179.10757	1.6
181.08585	7.8
189.09125	1.9
189.12752	3.3
191.07068	1.3
191.10797	1.8
193.08618	10.0
193.12221	2.1
197.08151	2.2
203.10701	3.8
203.14354	2.9
207.10257	1.8
207.13779	2.1
217.12160	1.6
221.11694	1.4
221.15421	1.8
231.13881	3.3
263.20087	2.3
273.22522	1.4
277.21472	2.3
291.23239	1.5
305.21161	2.2
307.30173	1.9
319.22641	2.0
333.24023	1.5
340.84229	1.5
347.25613	1.8
375.28662	1.8
385.34671	4.2
399.36353	14.9
400.36560	1.7
403.35791	19.2
417.37320	11.9
427.35843	12.4
435.38248	1.7
445.36798	51.9
445.43082	2.5
446.37234	3.9
463.21225	1.6
463.38187	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	463.3782
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
52.45731	6.8
55.05511	20.8
57.07082	44.4
57.77681	7.1
61.74532	6.9
67.05524	8.4
69.07072	37.6
69.15723	8.0
69.41953	46.7
71.08644	37.8
76.59583	7.0
81.07053	30.4
83.08614	20.2
85.10188	22.0
93.07061	16.7
95.08607	28.4
97.10178	19.0
98.22610	18.3
104.75588	7.2
105.07038	18.5
109.06508	18.9
109.10158	15.5
109.81245	7.8
111.11724	15.3
119.08644	11.0
121.10091	8.4
123.08008	9.3
123.11715	12.0
125.05992	19.3
127.07573	44.7
139.07526	100.0
147.11707	8.8
149.05949	8.2
151.07550	11.0
167.06995	9.7
175.14809	8.6
177.09123	11.8
204.38232	7.8
221.18221	8.7
302.25354	7.4
319.29965	11.7
347.33051	17.7
417.37222	18.5
445.36630	72.4
463.37793	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3781
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
53.03939	3.0
55.05511	18.0
57.07077	31.7
63.21841	1.4
67.05506	15.4
69.07071	27.7
70.95810	2.3
70.96159	2.3
71.04979	2.5
71.08242	1.8
71.08635	27.0
79.05495	5.2
81.07059	28.6
83.08617	20.9
85.10184	11.9
91.05487	4.8
93.07055	9.6
94.86641	1.3
95.04988	1.6
95.08611	31.7
97.06524	4.8
97.10164	10.6
99.04464	3.8
99.08074	2.0
105.07043	6.3
107.08591	6.0
109.06522	12.1
109.10155	15.0
111.08143	2.7
111.11693	7.7
119.08597	3.6
121.06483	2.6
121.10161	5.3
123.08086	9.7
123.11698	5.0
125.05972	9.1
125.13260	3.0
127.07556	37.8
133.10167	2.4
134.77878	1.7
135.08040	2.8
135.11694	4.4
137.05992	3.5
137.13322	3.4
139.07541	100.0
140.07870	3.2
147.11700	2.1
149.05986	3.4
149.09645	2.7
149.13295	1.8
151.07570	5.8
151.11166	2.1
161.13287	1.5
163.07513	1.6
165.09113	2.3
167.07057	5.6
175.11211	1.4
177.09122	15.0
179.10666	1.7
249.14835	1.7
301.28818	4.4
319.29947	10.1
347.29178	2.4
347.33087	14.4
355.29205	1.6
373.30933	4.0
399.36172	2.4
400.36816	1.5
403.35590	2.9
417.37238	13.7
427.35767	1.9
445.36826	35.5
445.42932	3.1
446.37134	2.9
463.37952	24.0
463.44678	1.7
464.37897	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35579	6.1
55.05496	11.1
55.29757	5.7
59.57188	7.3
65.46890	5.7
67.05519	10.8
69.03437	9.4
71.29918	9.3
79.05502	14.4
80.05002	11.0
81.03439	11.8
81.07043	12.4
83.04974	7.3
83.08635	6.7
85.02918	14.9
86.09671	15.4
89.90779	6.6
93.07066	9.3
95.04942	8.6
95.08641	8.6
97.02943	7.5
97.06518	9.7
103.10401	6.9
107.05003	6.0
107.08616	10.2
107.58459	5.9
111.04493	7.7
118.63890	7.5
119.08581	10.9
121.10152	8.2
125.00046	15.1
130.06514	31.3
138.05516	36.7
143.08569	6.3
144.08171	8.5
146.06052	32.3
149.09604	10.2
184.07314	63.3
188.07147	37.7
209.11717	10.0
221.10818	11.4
258.40637	7.6
267.11301	100.0
267.15665	30.3
268.11816	7.8
283.15436	11.6
284.15735	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	464.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
55.01875	3.0
55.05505	9.9
56.85518	1.3
57.03451	1.7
57.07064	3.1
61.48959	1.1
67.05496	7.9
69.03422	2.6
69.07056	5.1
69.17208	7.5
71.04973	1.3
79.05491	10.0
80.05819	1.2
80.47719	1.0
81.03415	6.8
81.07066	10.1
83.04974	5.7
83.08628	2.5
84.23283	0.9
85.02917	5.4
85.06523	2.4
87.00847	2.6
88.60695	1.1
91.05472	11.0
92.05804	1.2
93.07049	10.6
94.07340	1.6
95.04963	3.9
95.08615	9.0
96.08941	1.5
97.02888	4.1
97.06513	4.9
104.10749	2.7
105.01840	2.9
105.07018	3.3
106.07364	1.6
107.04954	2.9
107.08585	8.8
108.08987	1.2
109.02866	3.0
109.06492	2.4
109.10159	3.4
111.04440	29.7
111.08063	1.8
117.07010	2.0
119.08563	4.4
121.06478	2.3
121.10127	3.4
123.08093	1.7
125.06005	11.3
127.03904	4.7
127.07543	1.7
132.76785	1.2
133.10150	2.9
135.08075	8.7
135.11690	8.9
136.08307	1.2
137.09610	2.4
137.13315	1.5
137.49185	1.1
139.07532	1.8
143.07057	2.0
145.04915	2.0
145.10123	6.9
146.60683	1.1
153.12733	1.9
157.10095	1.5
163.07535	1.3
163.11180	11.4
165.09085	3.1
173.09676	1.5
180.05951	1.1
181.12230	100.0
182.12547	2.8
184.07329	1.8
191.10580	1.5
194.99577	1.4
199.13269	8.7
209.11678	2.2
212.39229	1.3
223.17009	1.3
227.12648	1.2
228.07129	1.3
241.17773	1.4
297.28748	1.0
316.56958	1.2
447.23340	1.7
464.23172	3.5
465.24728	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	464.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.01872	2.0
55.05519	4.0
57.03428	1.8
57.07067	0.5
59.05008	0.5
62.34026	0.4
65.03937	0.8
67.05181	0.7
67.05507	7.6
68.05835	0.5
69.03426	1.5
69.07066	2.6
71.04993	1.0
79.05494	9.2
80.05825	0.6
81.03421	5.8
81.07059	8.6
82.07386	0.6
83.01341	0.5
83.04963	2.6
83.08617	2.8
85.02905	2.1
85.06535	0.8
86.06082	1.1
91.05476	10.4
91.06006	0.6
92.05848	0.5
93.07043	9.3
95.04964	3.7
95.08604	4.8
95.67857	0.4
97.02868	0.8
97.05982	0.4
97.06516	2.4
97.10193	1.2
99.04481	0.6
99.08123	0.4
102.58904	0.4
103.05419	0.5
105.07025	5.2
106.07332	0.5
107.04957	1.3
107.08597	6.5
108.01200	0.7
108.04221	0.6
108.08910	0.4
109.02850	0.4
109.06535	1.2
109.10162	2.5
111.04431	0.8
111.08100	1.4
115.05508	0.6
117.07026	3.9
118.07271	0.6
119.08582	8.5
120.08927	2.0
121.06524	0.8
121.10131	3.4
123.08065	1.2
126.02215	10.5
127.03836	0.6
129.07071	1.1
131.08580	1.8
131.41774	0.4
133.10123	3.8
135.08076	2.2
135.11693	5.1
136.12062	0.8
137.05788	1.6
137.09596	1.0
138.08893	2.2
143.08537	0.6
145.10118	3.2
146.10464	0.8
147.08081	1.6
147.11678	2.7
149.09589	0.8
149.13275	1.9
157.10135	1.4
158.10455	0.5
159.11722	1.4
161.13264	1.4
163.03923	0.5
163.11183	2.9
163.14879	0.7
165.09171	1.6
167.10446	0.7
173.09572	0.5
173.13286	1.1
174.13635	0.7
175.11188	1.0
175.14838	0.9
177.12697	0.5
181.12206	1.0
187.14809	0.9
189.16441	0.9
191.10664	0.7
193.12233	3.2
197.13290	0.6
201.16365	2.2
208.06430	1.6
209.11681	1.1
211.13280	3.3
215.14310	0.8
215.17987	2.3
216.14708	1.1
227.12895	0.5
227.17934	0.6
229.19388	0.5
235.13086	0.5
239.12820	1.8
243.21088	0.7
251.16284	0.5
252.15700	16.7
253.16150	0.6
259.09686	1.1
260.10010	1.3
265.17758	1.9
267.15912	0.7
283.15457	1.5
291.15598	0.6
294.20322	0.5
302.14355	0.6
321.25677	1.0
339.26730	2.6
350.23010	14.4
351.23224	1.1
379.24567	2.9
446.28674	0.9
464.29807	100.0
465.29926	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	464.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.8
55.05514	2.9
57.03437	1.7
57.07063	0.5
67.05503	7.5
68.05847	0.6
69.07066	3.3
69.43996	2.1
69.44403	0.8
72.70367	0.5
76.83237	0.4
78.97253	0.5
79.05495	9.2
81.03425	4.3
81.07066	5.5
83.01347	0.7
83.04977	2.0
83.08614	1.4
83.90016	0.5
84.08942	0.5
85.02912	1.3
86.06113	0.5
91.05469	11.2
92.05823	0.9
93.07041	8.5
95.04965	2.8
95.08609	3.7
97.06532	5.9
97.10135	0.9
98.06865	1.7
105.07034	4.3
107.04960	2.7
107.08592	5.0
108.04266	0.6
109.06546	1.0
109.10171	1.7
117.07027	4.7
118.07401	0.6
119.08584	6.0
121.06528	1.1
121.10158	1.7
125.09659	1.0
126.02200	3.2
129.07037	1.1
131.08533	1.8
133.10138	3.3
135.08072	4.6
135.11725	2.4
137.05771	1.2
137.09615	2.6
138.08920	2.1
143.08589	0.5
145.10124	2.6
147.11696	1.8
149.09628	0.7
149.13197	0.7
151.11153	0.6
153.09183	1.3
157.10080	1.2
159.04485	0.5
161.02356	0.6
163.03937	1.9
163.07558	1.4
163.11119	2.4
164.04277	0.9
164.11513	0.9
164.34322	0.4
165.09145	1.0
167.10487	0.7
171.11555	0.6
173.02368	1.4
174.02681	0.8
175.11192	0.8
181.08549	0.6
183.10210	0.6
183.78040	0.5
193.12257	1.9
201.16422	0.9
209.11646	1.0
211.13210	0.7
215.07121	1.7
215.18121	0.7
216.07431	1.0
222.84662	0.6
252.15692	15.1
253.16072	0.7
255.12311	2.2
259.09576	3.4
260.09982	4.7
265.17798	2.0
267.15939	1.8
350.23007	16.4
351.23361	1.3
354.07779	0.5
355.18866	0.9
379.24487	2.9
403.24612	0.8
409.09317	0.5
446.28455	0.6
447.23901	1.9
464.29816	100.0
465.23840	2.9
465.30478	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	464.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.01871	1.0
55.05517	2.8
56.05833	0.5
56.77629	0.4
57.03428	1.0
57.07069	0.5
63.69106	0.4
67.05505	3.9
68.05825	0.6
69.03423	0.7
69.07072	1.8
75.57005	0.5
79.05497	6.0
80.05813	1.2
81.03429	2.5
81.07059	4.2
82.07401	0.5
83.01313	0.5
83.04980	1.7
83.08621	0.9
85.02899	0.8
91.05472	7.0
92.05813	1.0
93.07050	5.2
94.07393	1.2
95.04967	1.8
95.08619	2.5
95.31054	0.5
96.08112	0.5
97.02885	0.7
97.06536	2.0
97.37160	0.4
98.06888	0.6
102.16047	0.6
105.07031	2.5
106.07401	0.7
107.04954	2.4
107.08595	3.4
108.08931	1.0
109.06507	1.0
109.10164	2.1
111.04474	0.7
111.08118	0.6
117.07054	2.5
118.07351	1.4
119.08591	1.5
121.06496	0.7
121.10188	1.1
123.08073	0.6
125.09618	0.6
131.08572	1.2
133.06528	0.6
133.10138	2.0
134.10492	0.5
135.08047	3.4
135.11710	1.0
136.08363	1.0
136.12042	0.8
137.05760	2.0
137.09647	0.7
138.08899	1.8
145.10121	1.2
147.08005	0.6
147.11716	1.1
153.09056	0.4
153.12799	0.7
157.10168	0.7
163.07587	0.7
163.11154	1.3
167.10446	1.4
191.10539	0.5
193.12308	0.5
215.07002	0.6
227.12843	0.7
231.27818	0.4
234.14586	0.7
245.47165	0.5
252.15712	16.0
253.16306	0.6
259.09924	0.4
260.10013	1.1
265.17761	2.2
283.15338	0.6
327.02255	0.5
332.22226	0.5
350.23032	15.8
351.23145	0.7
379.24295	2.5
380.24210	0.6
446.28714	1.4
453.62909	0.5
464.29855	100.0
465.24426	1.3
465.30255	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	465.1033
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03935	0.6
53.66462	0.2
55.01872	0.7
55.05509	0.2
57.03448	0.9
61.02924	1.0
65.03939	0.3
68.99789	1.0
69.03082	0.3
69.03434	3.9
71.04993	0.7
71.15065	0.4
73.02920	0.5
80.72211	0.2
81.03428	2.2
83.01350	0.3
85.02912	9.6
86.09678	0.2
87.04482	0.2
91.03962	0.4
93.03413	0.4
93.07045	0.3
95.04970	0.4
97.02895	3.5
99.04464	0.5
109.02875	1.5
111.00799	1.4
117.07008	0.2
120.22781	0.2
121.02862	1.5
123.04438	0.3
124.07527	0.2
127.03934	1.6
135.04427	0.4
137.02347	4.4
137.03391	0.4
145.04971	1.7
145.06458	0.4
147.04355	0.3
149.02332	0.5
153.01840	5.1
154.02167	0.2
155.04955	0.2
157.06555	0.2
159.04428	0.2
161.05968	0.4
163.03934	0.9
165.01848	2.8
166.02646	0.3
171.02861	0.2
173.05988	0.7
173.26585	0.2
177.01871	0.2
177.05508	0.3
179.03337	0.2
183.02911	0.8
183.04439	0.5
184.07368	0.5
184.63370	0.2
187.03905	0.5
191.03496	0.3
195.02911	0.4
201.05467	2.6
205.04980	0.3
219.02919	0.4
219.06538	0.6
228.04338	0.4
229.04970	5.7
239.03418	0.4
246.05258	0.2
247.06046	0.8
257.04440	3.3
274.04800	0.9
275.05432	0.2
285.03989	1.7
295.50845	0.2
303.05002	100.0
304.05338	6.3
315.04974	0.7
328.12775	0.3
345.06146	0.4
363.04620	0.2
465.13208	0.2
485.20068	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1023
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03937	0.6
55.01863	0.8
57.03432	0.9
58.65607	0.3
61.02927	1.6
67.05477	0.3
68.99789	0.7
69.03154	0.3
69.03438	3.4
69.72676	0.7
69.73059	0.6
71.04971	0.4
73.02919	0.9
81.03403	2.5
81.44927	0.3
85.02901	9.6
86.05791	0.3
87.04434	0.5
91.03957	0.7
93.03399	0.4
93.07045	0.3
95.04926	0.5
97.02884	4.0
99.04450	0.6
109.02878	1.3
111.00816	0.8
115.03913	0.4
121.02883	0.9
127.03909	1.9
135.11664	0.4
137.02354	3.1
145.04962	1.7
145.06604	0.4
149.02322	0.4
153.01823	4.7
163.03902	0.7
165.01834	2.2
165.34280	0.3
173.05991	0.5
183.02882	0.7
184.07362	1.1
187.03928	0.4
201.05443	1.9
228.04095	0.4
229.04962	4.6
247.05978	0.8
257.04416	2.3
274.04691	0.8
285.03909	1.1
288.08264	0.3
303.04971	100.0
304.05310	5.9
304.81128	0.3
328.46222	0.3
466.16061	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1368
Annotation	Keyakinol
Peak:m/z	Relative Intensity
55.93552	0.6
56.96562	2.5
57.03455	0.7
59.61427	0.6
61.67023	0.7
69.03436	1.4
70.87548	1.3
71.89378	0.7
81.03423	1.6
82.41480	0.6
82.46355	0.6
83.04967	1.4
84.96021	1.4
85.02925	1.2
90.14521	0.6
95.58448	0.6
97.02879	2.8
98.97591	8.4
101.00892	1.9
110.97598	2.8
116.98642	2.7
119.01924	1.3
124.00358	0.6
124.99199	0.6
128.98598	3.0
131.00151	1.3
131.01895	2.7
133.03447	0.8
138.67134	0.7
143.00153	1.5
143.01926	1.3
145.03436	0.8
145.46817	0.6
146.99661	1.0
149.55035	0.6
152.05791	0.7
154.57832	0.7
155.00200	0.8
155.01939	1.8
157.03482	1.5
158.99693	3.0
159.03304	2.0
161.01202	0.7
161.02968	1.4
170.99629	1.4
173.02969	1.3
174.99181	0.8
175.02811	0.8
175.04485	1.0
177.00771	1.3
185.02962	1.5
187.04488	0.9
196.01512	0.7
197.01247	1.0
199.04459	1.2
200.67201	0.6
201.00797	0.8
201.04350	0.9
203.04044	1.3
211.04604	0.9
218.99719	0.6
219.01659	4.0
221.05083	2.5
223.04671	1.3
233.81342	0.8
237.02826	3.8
245.05272	0.7
247.04857	2.1
259.04349	0.7
259.06650	3.5
277.07813	1.5
303.04675	0.7
303.07611	4.2
321.08600	2.2
349.04419	0.7
403.11017	2.0
421.12204	1.7
433.07349	2.4
465.13687	100.0
466.14001	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	465.1371
Annotation	Keyakinol
Peak:m/z	Relative Intensity
50.09911	0.7
55.35149	0.8
67.69527	0.8
71.50024	0.7
94.93032	2.8
98.97601	1.7
136.27631	0.8
136.94031	19.0
148.94048	3.1
156.00943	0.7
166.95088	6.4
196.96159	2.2
200.98270	0.7
201.34077	0.8
241.99811	7.5
256.98242	2.7
275.19852	1.0
285.00226	1.0
287.02014	3.2
406.20746	0.8
465.06741	37.3
465.13840	100.0
466.05746	5.7
466.13141	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	465.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66224	1.2
53.03936	5.6
55.01872	13.0
55.05511	16.5
57.03438	17.8
59.04984	2.6
65.03927	4.3
67.05506	45.1
68.05834	1.6
69.03419	4.5
69.07081	9.0
69.12847	11.2
71.04978	5.8
79.05494	47.4
81.03416	52.3
81.07054	32.8
83.01350	7.0
83.04974	17.1
83.08612	9.6
85.02908	8.2
85.06535	2.7
89.84152	1.1
91.05480	100.0
92.05820	2.6
93.07040	45.3
94.07351	2.2
95.04972	17.4
95.08595	15.6
97.02889	4.6
97.06536	13.2
97.10149	3.1
98.22653	3.0
99.04457	3.2
99.08073	2.4
101.93011	1.3
103.05439	2.9
105.03405	1.6
105.04525	1.3
105.07027	31.9
107.04950	17.2
107.08597	22.4
109.06510	9.7
109.10154	8.6
111.04429	7.0
111.08071	4.2
113.05935	1.8
115.05460	3.6
117.07016	20.4
119.08578	60.4
120.08913	2.0
121.06509	8.8
121.10155	12.4
123.08049	6.6
123.11695	2.1
125.05984	1.8
125.09632	2.8
126.02214	2.1
128.06238	2.3
129.06998	11.1
130.07784	1.8
131.08540	5.0
133.06487	2.2
133.10135	6.9
135.08051	20.7
135.11685	16.4
137.09610	16.6
141.07054	1.8
143.08559	2.0
145.06453	2.0
145.10135	13.4
147.08040	30.8
147.11710	7.0
149.09608	2.3
149.13234	1.6
151.11089	1.7
153.05511	1.4
153.12758	3.7
155.08554	2.6
157.10103	5.2
159.11594	1.5
161.09647	1.5
163.07523	2.4
163.11195	23.3
165.09123	22.7
165.12799	2.0
166.09392	1.5
173.09601	3.0
175.11211	3.9
181.12163	5.9
183.10153	1.5
191.10681	6.3
193.12221	5.4
198.47740	1.5
199.09654	1.7
209.11716	6.9
211.13251	6.2
227.12808	8.7
239.10335	2.1
239.12782	42.4
240.13029	2.3
255.12250	2.9
255.15877	1.6
261.10291	2.0
265.14368	2.9
267.15878	4.2
283.15384	37.6
284.15692	2.5
303.05090	2.2
356.20087	1.6
368.26678	1.5
408.44376	1.4
434.95822	1.3
447.23758	13.8
465.23349	8.2
465.29346	5.1
482.24857	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01573	0.9
51.02374	0.8
53.03945	4.9
55.01873	12.7
55.05509	15.8
57.03437	11.5
58.40162	0.6
59.05019	1.1
60.84923	0.6
65.03932	4.1
67.05502	28.8
68.05829	1.3
69.03426	5.0
69.07066	6.9
71.01360	0.9
71.04991	5.7
71.27676	0.6
71.31186	0.7
73.78239	0.6
77.03925	1.2
79.05491	62.1
80.05834	1.5
81.03416	53.5
81.07053	28.1
82.03722	1.2
82.07375	0.8
83.01350	6.0
83.04977	12.1
83.08617	16.0
85.02900	27.4
85.06541	1.3
86.03247	0.8
86.81904	0.6
91.05477	100.0
92.05817	2.6
93.07040	36.8
94.07372	1.2
95.04963	20.9
95.07985	0.8
95.08599	13.1
97.02903	2.9
97.06527	5.1
97.10182	3.3
99.08098	0.9
103.05453	1.0
105.03371	0.8
105.04530	2.2
105.07028	21.2
107.04957	12.9
107.08589	30.3
108.08936	1.3
109.06501	5.9
109.10144	6.0
111.04441	4.5
111.08074	9.4
113.06012	2.0
113.09640	1.7
115.05450	12.0
117.07012	53.9
118.07343	1.5
119.04942	1.5
119.06055	0.7
119.08577	28.2
121.06485	3.0
121.10143	10.1
123.08057	2.7
123.11676	1.5
125.05976	1.6
125.09605	3.4
127.07610	0.8
128.06194	0.6
129.07018	8.5
130.07748	0.7
131.08566	7.5
133.06502	2.2
133.10110	6.4
135.08049	55.1
135.11681	2.1
136.08406	1.0
136.12007	0.7
137.05991	1.0
137.09595	7.8
139.07518	0.7
142.07751	1.9
145.06526	1.5
145.10153	3.1
147.08035	2.7
147.11676	10.6
149.09625	5.5
153.09111	1.8
157.10130	10.4
163.07561	4.4
163.11237	3.1
164.62642	0.7
165.09160	4.0
165.12805	2.0
172.24884	0.6
175.11171	12.4
181.08673	3.2
183.10193	1.9
193.12231	48.5
194.12561	2.1
199.09674	1.9
209.11790	1.2
211.13281	41.9
212.13657	1.5
227.12788	1.3
248.88345	0.6
255.12329	2.0
267.15945	2.4
275.71228	0.6
283.15543	1.9
285.17072	2.9
327.19299	0.9
355.18866	1.6
410.55075	0.6
429.22629	0.8
447.23621	2.0
450.59384	0.7
465.24832	49.6
466.25250	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	465.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.8
53.03948	5.0
55.01632	1.1
55.01876	12.0
55.05514	20.6
57.03442	8.5
59.04997	3.1
60.47539	0.7
65.03947	3.1
67.05508	46.0
68.05849	1.0
69.03423	3.5
69.07069	9.7
71.01362	1.8
71.04988	5.3
71.29689	1.0
73.06593	0.8
77.03942	1.7
79.05496	38.3
81.03418	36.9
81.07062	29.7
82.07361	1.0
83.01347	8.3
83.04984	14.4
83.08626	10.6
84.98570	0.7
85.02911	17.4
85.06531	1.8
89.25185	0.6
91.05485	100.0
92.05840	1.2
93.07047	52.6
94.07368	1.7
95.04968	13.6
95.08612	29.7
97.02908	4.0
97.06535	8.0
97.10177	3.1
99.04476	2.9
99.08138	0.8
103.05490	2.0
105.04559	1.6
105.07038	16.0
105.07745	0.9
107.04957	10.9
107.08598	18.8
109.06535	8.9
109.10162	19.8
111.04481	3.6
111.08088	4.4
113.05995	0.8
115.05465	3.3
117.07024	17.4
118.07370	0.9
119.08584	95.7
120.08919	1.7
121.06504	7.8
121.10135	10.1
123.08100	7.2
123.11764	1.1
125.05989	2.6
125.09660	2.7
128.06221	1.2
129.07051	3.9
131.08572	4.3
133.06497	1.6
133.10115	3.1
135.08060	9.8
135.11703	11.9
137.05974	1.7
137.09616	44.2
138.09999	1.2
143.07056	1.1
143.08577	1.7
145.06487	2.0
145.10138	13.3
147.08072	6.9
147.11674	1.4
149.09607	1.6
151.07533	1.1
151.11234	0.9
153.09131	1.2
153.12764	3.3
155.08543	1.3
157.10205	1.7
163.07594	2.7
163.09821	1.1
163.11188	22.8
163.12492	1.4
164.11563	0.9
165.09116	30.6
173.09610	4.2
175.11206	1.2
181.08636	1.2
181.12146	3.5
183.10178	16.8
183.11714	1.0
187.11298	0.9
189.11264	1.3
191.10788	1.9
193.12286	2.6
199.09665	1.8
209.11755	5.3
211.13338	1.6
221.11627	0.8
224.47766	0.7
227.12773	5.4
231.13931	0.8
239.12820	3.7
243.09995	0.8
255.12296	1.0
256.88995	0.8
267.15918	1.3
283.15369	10.8
303.04980	1.3
320.78226	0.7
337.17764	0.9
355.18924	5.4
394.34116	0.8
446.93961	0.8
447.23843	2.6
465.24844	46.2
466.25067	3.6
466.31500	6.4
478.36359	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.5
59.05006	0.5
60.04503	0.4
61.02919	0.4
66.04710	0.5
69.03079	0.6
69.03432	6.3
71.13653	0.6
73.02924	3.1
75.04482	0.4
79.05503	0.4
81.03428	0.6
83.21668	0.4
85.02901	4.9
87.04472	4.5
91.05441	0.5
93.52843	0.4
94.04187	2.4
97.02898	4.9
98.97612	0.5
100.11598	0.4
115.03931	6.0
122.03654	5.6
127.03934	1.0
133.04974	6.4
137.05981	100.0
138.06322	2.8
150.07622	1.6
162.07710	0.6
305.45325	0.4
466.14056	0.4
467.15231	1.8
482.64719	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.22
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.3
55.05499	0.3
56.05017	0.8
58.06601	0.6
60.08164	7.3
67.05490	1.1
68.20924	0.2
69.03411	0.5
69.07059	0.7
71.04957	0.4
71.07045	0.3
71.07376	3.2
79.05476	0.8
80.05003	0.4
81.03403	0.6
81.07040	0.7
85.02898	0.6
86.09705	33.6
87.10019	0.3
91.05462	0.8
93.07027	1.1
94.06567	1.6
95.04959	0.6
95.08595	0.4
97.02865	0.5
98.25598	0.3
98.98473	3.9
104.10748	5.4
105.07010	0.7
107.04935	0.3
107.08593	0.4
109.06557	0.3
110.06036	0.6
117.07041	0.6
119.08549	0.5
122.06028	2.3
125.00004	24.5
127.03947	0.4
134.09618	0.3
136.07581	0.6
137.09633	0.3
138.05539	0.3
140.07101	1.8
143.00981	0.3
143.83817	0.3
145.10152	0.3
154.08604	0.8
162.09126	0.9
180.10191	0.9
183.13844	0.3
184.07339	100.0
185.07666	1.2
186.07822	0.3
188.07060	0.3
189.81183	0.3
190.08727	0.5
193.64870	0.3
197.07045	0.5
199.08708	0.3
201.06593	0.4
208.09706	0.8
211.08710	0.8
212.09433	0.7
213.06509	0.4
213.10158	0.5
225.10236	0.7
226.07365	0.3
227.08263	0.4
227.11850	0.7
229.09734	0.6
239.08221	0.7
240.08867	0.6
241.09682	0.5
242.06691	0.3
243.07608	0.3
253.09758	0.9
255.11249	0.7
257.09235	0.5
259.07187	1.7
261.08676	1.0
265.16443	0.3
267.07693	0.3
269.09238	1.5
271.10669	0.7
281.09247	0.6
285.08649	2.0
287.10123	0.3
299.10236	5.6
300.10815	0.8
301.11826	2.5
302.12744	0.4
313.08047	0.7
313.11880	0.7
355.08218	0.3
377.15302	0.4
379.17361	0.6
392.16354	0.6
402.14398	0.3
410.16931	0.7
420.11688	0.2
420.15692	2.4
421.15732	0.4
422.17041	1.7
430.84894	0.3
438.16541	4.5
448.15015	3.0
448.20660	0.5
449.15094	0.3
451.13718	0.3
466.16052	15.2
466.21985	2.5
467.16367	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.6
55.01873	2.0
55.05503	1.2
57.03435	4.3
57.07070	1.4
59.05005	0.7
61.02927	2.8
62.47543	0.5
62.62590	0.4
67.05514	2.6
69.03429	7.8
69.06760	3.4
69.07092	1.7
71.01362	0.7
71.04981	0.5
73.02921	11.7
79.05495	7.6
80.30954	0.5
81.03423	1.5
81.07059	100.0
82.07404	2.4
85.02910	18.0
87.04442	1.0
88.73513	0.4
91.03949	0.9
93.07053	1.1
94.39243	0.5
95.08613	17.2
97.02898	12.8
97.06555	0.9
98.23452	0.8
99.04482	1.4
103.03922	1.0
107.08615	0.6
109.02885	1.8
109.10158	1.0
115.03934	5.8
120.50834	0.5
127.03928	7.1
133.04970	9.5
137.13261	20.0
145.04971	9.6
150.07742	0.5
161.93324	0.6
163.03986	0.6
163.06006	4.8
184.07321	0.6
184.53596	0.4
193.05016	0.8
223.06056	2.1
241.07143	2.1
259.08139	3.7
271.84250	0.5
277.09055	0.6
295.10333	1.2
383.86337	0.6
401.26682	0.6
464.84473	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
57.03430	4.7
57.07055	1.7
57.14968	1.2
58.30416	1.1
63.21599	1.3
63.26339	1.3
67.05508	3.7
67.28251	1.1
68.79045	1.2
69.00294	10.6
69.03426	7.4
69.07055	1.7
73.02911	10.3
79.05483	8.9
81.07053	100.0
82.07394	1.5
82.83910	1.4
85.02903	10.0
95.08597	14.4
97.02873	10.8
108.83555	1.2
115.03923	12.8
119.06524	1.3
127.03909	3.4
133.04941	4.1
137.13260	20.3
145.04970	5.6
163.06020	3.2
223.05991	1.8
239.73755	1.2
295.10312	1.4
352.29742	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66313	1.6
55.05512	5.3
56.84014	1.8
57.07079	40.0
57.16275	1.7
59.04998	2.0
65.72950	1.6
67.05511	14.1
68.05851	1.7
69.05399	11.4
69.05797	3.9
69.07063	7.0
70.42416	1.5
71.08635	35.7
73.06530	3.2
73.81731	1.5
75.09134	1.6
81.07044	6.6
83.08614	7.7
84.14949	1.5
84.36491	1.5
85.10181	18.9
89.06033	100.0
91.29478	1.7
95.08585	4.7
97.10179	4.2
99.11749	2.3
107.07087	3.4
109.10161	11.3
111.04443	1.9
111.11696	3.5
130.08646	2.4
133.08609	51.6
135.10233	1.9
151.09666	5.4
155.17932	1.7
156.06519	2.2
173.11716	3.3
177.11293	10.5
211.24219	1.9
239.14934	22.6
240.15254	2.1
299.29395	3.0
427.03705	1.8
449.38498	10.5
466.36307	4.1
467.37604	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	467.1889
Annotation	3',5-Dihydroxy-3,4,4'-trimethoxybibenzyl-5-O-glucoside
Peak:m/z	Relative Intensity
69.03441	0.5
69.04495	0.4
69.12503	3.3
70.06599	0.6
85.02891	0.8
87.13841	0.5
91.16261	0.5
94.06580	0.6
95.04987	0.5
97.02897	0.7
98.22627	1.1
105.07044	0.9
119.05009	0.9
119.08589	0.6
137.05890	0.5
144.74353	0.5
145.04979	0.6
147.04413	1.5
184.76682	0.4
191.05037	0.4
217.53177	0.5
220.11848	0.9
279.14365	2.0
287.12427	2.2
288.19583	1.0
293.09045	0.6
297.15604	0.6
306.20663	5.9
323.13278	1.2
345.11584	1.0
347.13455	1.8
407.12326	0.6
449.17871	2.6
467.19635	100.0
468.19122	9.1
468.25980	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	467.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.0
55.01871	7.6
55.05514	7.8
57.03441	7.8
61.02919	4.9
67.05506	9.2
68.99788	5.6
69.03426	41.4
69.07062	4.6
69.69751	1.5
69.70082	5.6
70.33744	1.2
71.01335	2.2
71.04990	5.9
72.04485	1.7
73.02916	7.5
79.05492	9.5
81.03418	37.7
81.07064	21.5
83.04983	3.8
83.08617	3.8
85.02905	52.3
85.06504	1.6
85.68365	1.3
87.00826	22.1
87.04456	1.9
91.03983	1.5
91.05464	8.1
93.07046	11.3
94.06590	2.4
95.04958	3.0
95.08610	11.2
97.02895	20.0
97.06517	6.1
98.22691	2.6
99.04453	15.7
100.11266	8.2
101.02380	2.3
103.03918	2.0
105.01862	15.1
105.07024	27.7
107.05007	1.3
107.08593	10.7
108.08124	2.6
109.02880	33.3
109.10161	6.5
111.04448	4.1
115.03906	3.1
115.05494	2.0
117.01868	4.0
117.07017	7.5
118.06542	2.8
119.04951	1.7
119.08591	12.1
121.06530	1.7
121.10137	5.2
122.06019	5.4
123.04436	2.5
123.11660	1.8
127.03912	51.8
128.06204	2.4
129.01839	3.6
129.06993	3.9
130.05020	2.2
130.06473	2.4
130.07811	2.2
131.08568	22.1
133.10133	9.2
135.11708	2.6
136.07587	5.0
142.07739	4.1
142.12267	1.7
143.08603	5.9
144.09341	7.0
145.04953	16.5
145.10120	23.6
147.02802	2.2
147.04382	3.7
147.07988	1.5
147.11658	10.5
155.08551	2.1
157.10127	16.2
158.10818	1.5
159.02879	19.8
159.11688	71.4
160.07574	3.1
160.12082	3.1
161.09612	2.8
161.13252	30.2
162.05518	2.0
163.03905	1.8
164.07060	8.8
168.13889	1.7
169.10117	1.8
171.11728	4.6
173.13249	13.1
173.45042	1.4
175.08582	1.8
175.11215	3.0
175.14886	2.4
182.15414	5.9
183.11720	2.1
185.13342	2.4
186.14063	1.8
187.14803	1.8
188.07150	2.9
189.16275	2.0
192.06548	1.5
197.13155	1.3
199.14865	8.4
200.09489	3.2
201.16379	100.0
202.16727	5.8
203.08163	5.9
203.14349	3.8
203.17949	15.5
204.06497	1.7
210.14900	4.8
211.14917	1.6
212.09583	1.7
213.10219	2.1
215.14375	1.5
217.09731	3.8
217.15819	6.4
219.17427	21.1
220.09703	3.1
229.15810	1.7
231.05022	6.7
241.09731	1.7
245.09177	7.9
246.07780	1.5
257.09198	15.5
259.09924	1.3
263.10211	6.1
285.08704	16.4
287.10135	4.2
287.16217	2.5
305.11185	6.8
309.21738	1.6
313.08090	11.8
329.11276	1.6
331.09250	23.2
382.23209	1.3
422.17529	1.4
423.23853	2.4
449.21667	3.8
450.16278	2.8
467.17520	6.1
467.23718	20.3
467.36292	7.0
468.17142	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	467.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26014	1.8
55.05504	9.1
57.03446	11.9
57.06799	2.8
57.07079	39.4
67.05509	32.5
69.07062	8.8
71.08633	29.6
71.72478	1.7
79.05479	3.1
79.47938	1.7
81.07075	19.9
81.44643	2.0
83.08620	11.2
85.10190	13.9
85.56882	2.1
89.06055	2.8
91.05466	2.3
92.68678	2.0
93.07041	3.4
95.08611	25.6
97.10172	6.5
98.97855	3.8
98.98469	53.4
103.80225	2.5
107.08569	1.9
109.10162	19.8
119.08614	2.6
123.11707	3.8
136.99985	4.0
137.13277	2.6
137.65234	1.9
145.10149	2.3
155.01048	48.7
173.11754	4.7
211.03685	2.3
229.04745	3.4
239.23735	10.3
269.82159	2.2
313.27365	100.0
314.27734	6.1
449.26547	14.2
467.31827	4.4
467.37366	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	467.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00316	0.7
53.03952	1.3
53.98468	0.5
55.05514	14.5
57.03431	1.9
57.07077	34.9
59.04993	3.1
65.03935	3.5
67.05505	100.0
68.05843	1.5
69.03030	6.1
69.03425	1.0
69.07068	9.0
71.04982	3.1
71.08632	20.9
79.05492	4.3
81.07056	25.4
82.07394	0.7
83.08620	16.8
85.06543	2.6
85.10184	14.5
85.10667	1.1
89.06055	1.7
90.98187	0.6
91.05468	5.6
93.07047	4.2
95.08605	26.7
97.10163	6.4
99.11739	1.4
107.08580	1.6
109.10157	79.1
110.10491	2.3
111.08097	2.5
111.11706	1.2
113.05949	0.8
119.08614	4.3
123.11688	4.4
137.09641	3.4
137.13271	2.5
151.14827	0.8
155.10654	4.3
165.16441	0.9
173.11742	25.6
174.12140	0.7
205.47342	0.7
221.22684	1.2
239.23698	8.9
467.37299	68.9
468.37735	4.3
477.65060	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20729	0.8
55.05511	13.5
57.03429	1.5
57.07078	36.1
59.05003	4.3
65.03939	3.3
67.05506	100.0
68.05839	1.2
69.07073	8.7
69.13266	1.1
71.04996	3.6
71.08631	27.1
71.27724	1.7
72.13244	0.9
79.05489	3.8
81.07055	28.6
82.07385	0.9
83.05002	1.1
83.08613	15.6
85.06553	2.9
85.10183	15.3
87.66252	1.0
89.06042	4.1
91.05479	8.2
93.07031	4.8
95.08607	26.8
97.10160	6.3
105.07048	1.9
107.08606	3.9
109.10157	77.8
110.10529	1.2
111.08086	2.5
111.11730	2.2
119.08594	4.1
121.10146	1.2
123.11732	3.4
127.05228	0.8
133.08606	1.3
133.10153	3.6
137.09631	3.5
137.13277	2.0
155.10699	3.2
173.11740	24.1
204.30321	1.1
209.33388	1.0
239.23746	7.9
283.17728	1.5
355.24091	1.0
467.37347	59.7
468.37759	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	468.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
55.01867	3.8
57.03445	4.1
57.45373	1.4
61.02904	1.8
62.36647	1.6
67.05521	4.9
69.03432	4.0
70.06597	3.2
71.29012	3.2
73.02901	1.7
79.05495	34.0
81.03416	3.1
81.07066	2.4
83.04982	1.6
85.02885	8.5
91.03946	1.7
91.05489	10.0
93.07078	4.0
94.29594	1.4
95.04997	2.7
95.08606	2.7
97.02896	4.4
99.00803	9.3
101.98889	1.6
103.66148	1.8
104.69215	1.6
105.07034	68.2
106.07375	2.0
107.08603	8.1
119.04927	2.4
119.08592	2.4
121.10117	1.9
123.08098	3.6
123.26093	1.5
133.06477	23.8
135.04405	1.9
147.04434	2.9
151.07555	38.6
162.12779	2.8
167.07008	1.8
174.12830	2.1
175.78188	1.4
179.07066	4.4
186.24968	1.5
188.14384	1.5
191.22557	1.7
197.08162	2.0
203.03493	2.2
215.09164	5.5
244.20399	1.6
271.11771	100.0
272.12085	5.6
279.06546	2.7
288.19598	5.0
306.20633	48.6
307.20947	2.3
335.92023	2.0
343.16159	1.9
460.86630	1.9
468.19321	4.6
468.25897	25.9
469.20609	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	468.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.7
55.05500	1.3
57.07092	2.1
57.07335	0.6
58.07404	0.5
61.51772	0.4
67.05505	2.3
69.07066	2.1
70.94106	0.8
71.08625	1.3
79.05495	0.5
81.07061	5.7
82.07384	0.7
82.87482	0.4
83.08632	2.1
85.10203	0.7
89.06033	2.2
95.08606	4.0
96.08938	0.7
97.10169	1.4
105.03408	6.1
109.10160	3.2
111.11699	0.7
115.05464	1.8
123.11725	1.0
129.07013	6.2
130.07791	5.9
133.08575	1.1
140.06297	0.5
141.06924	1.2
143.04919	2.2
146.32065	0.4
147.04437	0.5
151.65762	0.5
156.15405	0.4
157.06514	4.6
158.07278	14.3
159.07988	1.3
169.06471	0.6
169.43112	0.4
171.08011	1.1
174.06689	0.5
182.07121	0.5
185.05959	2.3
186.06766	100.0
187.07510	12.0
188.07935	1.0
198.06749	2.5
199.07568	1.4
211.07536	2.1
212.08299	0.6
213.08949	0.5
224.08220	0.5
225.09106	25.8
226.09746	2.1
227.10684	6.1
235.18959	0.4
239.10768	0.7
242.13016	23.8
243.13304	1.4
264.68961	0.4
283.17499	1.0
397.60760	0.5
435.32596	1.9
450.34921	13.8
451.35168	1.9
468.36035	11.3
469.36041	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67781	1.8
53.23497	1.7
54.39592	1.6
55.05505	4.0
57.07078	68.1
59.50769	1.9
62.06098	2.0
67.05499	4.8
69.07066	9.9
71.08630	49.3
73.06543	4.5
76.73595	1.5
77.52244	1.7
79.05511	2.6
81.07067	4.2
83.08603	3.8
85.10186	37.8
87.04459	2.2
89.06036	100.0
90.06366	2.1
91.05473	2.5
93.07073	2.3
95.08617	6.5
97.10171	8.0
99.11720	11.8
107.07116	3.0
109.10197	2.5
111.11697	5.8
113.13274	6.3
117.06992	1.9
119.08565	2.4
133.08603	60.1
134.08916	2.2
157.12656	1.8
165.93358	1.9
174.93185	1.8
177.11234	19.9
195.12398	2.6
239.14926	2.2
257.24994	4.2
283.17496	22.9
301.27518	4.8
314.27673	3.5
327.28888	9.4
394.28543	2.0
407.33661	3.4
451.36279	19.2
468.31787	3.1
468.37616	2.8
486.63477	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	2.1
53.03938	6.6
53.42611	2.0
55.01861	8.7
55.05510	15.2
57.03441	4.1
57.07072	3.7
57.69403	2.0
67.05506	14.2
68.99782	3.3
69.03435	16.8
69.07059	9.1
71.04989	3.9
71.31264	3.6
73.02904	2.4
79.05495	13.2
81.03059	2.0
81.03426	20.8
81.07066	23.1
83.04969	4.6
83.08609	3.3
85.02911	31.5
85.06538	8.1
87.00820	13.6
88.82492	2.2
91.05473	16.6
93.07038	18.8
95.04971	9.0
95.08601	28.3
97.02882	9.1
97.06511	8.6
97.10156	2.2
99.04427	3.4
99.08094	13.1
105.01841	8.6
105.04479	2.5
105.07030	40.0
107.08596	27.9
109.02911	10.7
109.06487	3.7
109.10157	22.3
115.03894	3.6
117.07021	5.5
118.46758	2.1
119.08581	38.9
121.06519	5.5
121.10115	11.8
123.08031	3.5
123.11689	3.7
125.09596	3.0
127.03904	18.4
131.08554	11.9
133.06404	2.8
133.10155	20.9
133.76859	2.2
135.08110	2.1
135.11723	2.3
137.09615	3.0
143.08548	6.3
145.04994	4.8
145.10149	19.6
145.71332	2.3
147.08022	3.0
147.11682	30.1
149.09564	2.5
149.13219	9.2
155.08583	3.2
156.09406	3.4
157.10135	11.2
159.02896	5.9
159.11673	15.4
161.09544	3.0
161.13310	11.4
163.11143	2.7
165.07072	2.3
165.09142	2.7
169.10153	6.3
171.11652	10.1
173.05998	2.8
173.09630	2.8
173.13252	4.5
175.14764	4.5
183.11723	5.9
185.13258	6.0
187.11134	2.9
187.14865	3.1
195.11710	2.6
201.16422	13.3
203.17958	100.0
204.18321	3.3
205.12210	2.3
213.16338	9.1
215.17966	5.8
221.18974	13.5
223.07419	3.6
225.16458	3.4
227.17966	5.2
231.17377	18.5
235.30632	2.3
241.08574	2.3
243.17400	4.7
259.16541	2.5
271.16895	2.9
289.18024	13.7
293.19046	4.1
307.19083	7.4
311.20050	10.4
329.21063	9.0
347.22186	4.8
391.18997	2.6
407.18658	5.2
415.20975	7.1
433.21729	9.9
443.00244	2.2
451.22516	7.0
469.10748	5.1
469.23944	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13803	3.5
55.01873	15.9
55.05513	15.7
57.03435	9.6
57.07066	4.4
61.02920	11.7
67.05499	26.0
68.99809	8.8
69.03425	32.2
69.07069	34.5
71.05001	34.3
71.10628	6.4
71.10949	4.5
72.37193	3.4
79.05470	30.1
81.03420	28.9
81.07056	54.2
83.04973	13.4
83.08591	4.7
85.02907	37.8
85.06537	4.4
87.00832	29.6
91.05480	34.8
93.07047	41.4
95.04971	16.4
95.08604	41.9
97.02901	20.0
97.06523	77.8
97.10193	4.5
98.06872	4.2
99.04436	6.3
105.01870	8.4
105.07044	49.6
107.04951	9.3
107.08585	41.9
109.02885	13.2
109.06512	15.6
109.10162	34.2
110.42898	3.6
111.04462	15.5
115.03951	8.7
117.03369	7.8
117.07012	10.7
119.08589	45.9
121.06523	13.1
121.10144	39.4
123.04432	10.8
123.08088	9.9
123.11703	19.5
125.09623	8.3
127.03930	10.2
127.11183	15.3
128.06195	7.7
129.01878	8.8
129.06982	10.8
131.08588	21.9
133.06407	5.3
133.10130	42.6
135.04430	11.3
135.08087	4.5
135.11682	26.5
137.05984	7.4
137.09589	9.8
142.07790	9.6
142.12277	7.4
143.08582	17.8
143.52145	3.8
145.02905	10.6
145.06509	5.4
145.10112	35.8
147.07983	7.0
147.11697	32.6
149.09636	4.9
149.13295	11.8
151.11226	5.2
153.12784	11.1
155.08554	11.0
157.10123	17.3
159.02953	5.6
159.04361	5.2
159.08047	8.7
159.11688	43.8
161.02339	19.6
161.09633	5.2
161.13283	14.0
163.03915	68.6
163.11200	7.0
165.09148	6.4
165.12784	5.4
167.08475	5.2
169.10146	7.6
171.08186	4.6
171.11674	18.4
173.02344	46.0
173.09599	6.2
173.13290	11.1
174.02676	5.1
175.11205	7.6
175.14801	4.7
177.12822	5.8
177.16383	6.5
181.10036	5.9
183.11702	10.1
185.09573	3.8
185.13278	8.0
187.11230	5.9
187.14897	12.9
189.04010	6.5
189.12766	9.0
189.16432	17.1
191.14290	4.6
195.11671	7.6
197.13306	7.2
201.03885	5.2
201.12886	4.4
201.16417	12.3
203.17953	7.8
207.11684	5.3
213.16431	6.0
215.07019	59.9
215.18059	6.1
219.17647	5.2
221.19054	6.1
225.12781	11.4
227.14304	5.4
233.19017	5.0
236.14737	4.1
241.16010	7.8
245.19044	9.5
259.09665	100.0
260.09995	10.7
261.18866	4.0
269.19037	4.7
273.07529	12.6
273.18573	4.4
277.10672	60.4
287.20013	5.5
311.20023	14.6
329.21133	10.2
355.57922	4.0
415.20975	4.5
433.22504	6.5
451.23380	11.5
469.14404	6.9
469.24759	20.6
469.37445	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	469.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01860	4.9
55.05504	5.0
57.03427	4.5
57.07064	2.2
58.06586	1.9
61.02931	2.5
65.03926	1.8
67.05502	10.3
69.00415	4.2
69.00818	12.8
69.03439	10.9
69.07072	13.4
71.04978	7.0
79.05480	8.8
81.03421	8.8
81.07050	24.1
82.07371	3.4
83.04975	3.8
83.08620	5.0
85.02901	12.0
87.00812	4.5
91.05498	9.2
92.63868	1.6
93.07066	10.1
95.04970	5.5
95.08598	11.5
96.08978	1.8
97.02908	5.5
97.06538	32.2
99.04445	3.2
99.08099	2.7
102.61472	1.7
103.03943	2.2
104.05917	1.6
105.01861	1.9
105.07021	12.5
107.04969	4.2
107.08594	11.9
109.02876	4.0
109.06498	3.7
109.10172	12.4
111.04406	3.6
111.08042	1.7
113.65036	1.5
115.03902	2.0
117.03392	1.7
117.07017	3.8
119.08591	14.1
121.06503	3.1
121.10160	12.0
123.04398	3.4
123.08080	2.7
123.11703	5.3
125.09590	2.3
127.03898	5.4
127.11183	4.3
129.01828	2.5
129.06998	2.5
131.08583	6.5
133.10161	6.3
135.04433	2.9
135.08057	2.6
135.11674	7.4
137.09572	2.4
137.13290	2.8
141.05385	2.0
141.06953	2.3
143.08580	3.0
145.02803	3.0
145.10129	8.5
147.11676	5.0
149.09564	1.7
149.13295	2.0
151.11098	1.8
155.08557	1.7
155.46783	1.6
157.10133	5.8
159.00487	1.5
159.04422	2.9
159.08093	2.2
159.11690	9.5
161.02292	5.4
161.13231	2.0
163.03915	22.0
163.11194	3.8
165.09143	1.7
169.10089	2.4
171.11697	4.1
173.02347	20.8
173.09633	1.9
175.11111	2.3
181.10062	3.3
183.11758	3.2
185.13155	1.6
187.11134	2.5
187.14841	3.2
189.03961	2.3
189.16406	2.9
191.08226	2.4
195.11734	1.8
197.13220	2.1
201.12746	2.5
201.16386	3.7
203.17906	3.2
209.11673	1.6
215.07018	22.3
219.17360	2.1
221.19064	3.2
225.12680	2.3
227.17819	2.7
227.27257	1.6
236.14853	5.3
244.11324	1.7
245.18929	3.3
256.99152	2.3
259.09653	42.0
260.09943	5.6
277.10733	20.2
289.17422	1.8
311.20035	2.7
329.21234	3.9
409.39020	1.8
434.17255	3.1
451.23099	3.0
469.20306	100.0
470.20251	11.3
470.27405	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	469.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01860	4.9
55.05504	5.0
57.03427	4.5
57.07064	2.2
58.06586	1.9
61.02931	2.5
65.03926	1.8
67.05502	10.3
69.00415	4.2
69.00818	12.8
69.03439	10.9
69.07072	13.4
71.04978	7.0
79.05480	8.8
81.03421	8.8
81.07050	24.1
82.07371	3.4
83.04975	3.8
83.08620	5.0
85.02901	12.0
87.00812	4.5
91.05498	9.2
92.63868	1.6
93.07066	10.1
95.04970	5.5
95.08598	11.5
96.08978	1.8
97.02908	5.5
97.06538	32.2
99.04445	3.2
99.08099	2.7
102.61472	1.7
103.03943	2.2
104.05917	1.6
105.01861	1.9
105.07021	12.5
107.04969	4.2
107.08594	11.9
109.02876	4.0
109.06498	3.7
109.10172	12.4
111.04406	3.6
111.08042	1.7
113.65036	1.5
115.03902	2.0
117.03392	1.7
117.07017	3.8
119.08591	14.1
121.06503	3.1
121.10160	12.0
123.04398	3.4
123.08080	2.7
123.11703	5.3
125.09590	2.3
127.03898	5.4
127.11183	4.3
129.01828	2.5
129.06998	2.5
131.08583	6.5
133.10161	6.3
135.04433	2.9
135.08057	2.6
135.11674	7.4
137.09572	2.4
137.13290	2.8
141.05385	2.0
141.06953	2.3
143.08580	3.0
145.02803	3.0
145.10129	8.5
147.11676	5.0
149.09564	1.7
149.13295	2.0
151.11098	1.8
155.08557	1.7
155.46783	1.6
157.10133	5.8
159.00487	1.5
159.04422	2.9
159.08093	2.2
159.11690	9.5
161.02292	5.4
161.13231	2.0
163.03915	22.0
163.11194	3.8
165.09143	1.7
169.10089	2.4
171.11697	4.1
173.02347	20.8
173.09633	1.9
175.11111	2.3
181.10062	3.3
183.11758	3.2
185.13155	1.6
187.11134	2.5
187.14841	3.2
189.03961	2.3
189.16406	2.9
191.08226	2.4
195.11734	1.8
197.13220	2.1
201.12746	2.5
201.16386	3.7
203.17906	3.2
209.11673	1.6
215.07018	22.3
219.17360	2.1
221.19064	3.2
225.12680	2.3
227.17819	2.7
227.27257	1.6
236.14853	5.3
244.11324	1.7
245.18929	3.3
256.99152	2.3
259.09653	42.0
260.09943	5.6
277.10733	20.2
289.17422	1.8
311.20035	2.7
329.21234	3.9
409.39020	1.8
434.17255	3.1
451.23099	3.0
469.20306	100.0
470.20251	11.3
470.27405	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	470.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.7
55.01872	8.3
55.05517	5.9
55.20789	2.0
57.03435	12.6
59.50486	2.1
60.71457	2.8
61.02924	5.5
61.37978	2.2
64.31647	2.4
66.18395	2.1
67.05510	8.9
67.66118	2.3
67.98552	2.1
69.03421	7.5
69.44148	3.4
69.44556	7.8
70.06586	3.0
71.05004	3.3
73.02899	4.1
73.46646	2.4
79.05499	26.7
81.03423	6.4
81.07052	9.9
83.04961	3.0
85.02917	10.3
90.56767	2.4
91.05474	29.8
93.07040	11.8
95.08594	6.6
97.02906	9.6
100.11269	3.3
105.07027	3.6
107.04968	9.7
107.08614	18.9
111.04438	3.7
111.08043	3.0
115.05489	3.2
117.07011	25.1
119.08533	2.7
120.04446	2.5
121.06528	6.3
123.08084	6.1
124.07591	2.3
125.09594	3.7
127.03898	6.9
135.08051	56.7
137.06009	4.1
141.09109	9.1
145.04828	2.2
145.06497	2.7
147.04407	4.5
150.90781	3.2
153.09129	5.3
163.03983	2.8
163.07530	29.8
181.08578	31.1
199.09641	5.7
205.84521	2.7
255.12262	100.0
273.13367	8.1
341.65121	2.1
417.17459	2.8
428.93866	2.6
429.10834	2.4
470.10858	3.4
470.20871	5.3
471.14435	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	470.26
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08146	1.0
53.03945	3.1
55.01873	7.1
55.05512	9.2
56.05025	2.3
56.96583	1.2
57.03431	4.7
61.02931	7.9
65.03931	2.1
67.05502	12.0
69.03431	16.9
69.07069	50.2
69.54040	4.8
71.02156	1.4
71.02481	14.4
71.04987	2.9
73.02905	3.8
79.05494	4.7
80.05006	2.2
81.03405	5.7
81.07052	5.2
83.04948	1.5
85.02908	81.9
91.03949	4.7
91.05487	13.2
93.05789	2.7
93.07044	9.1
94.06574	18.7
95.04956	4.0
95.07338	2.8
95.08601	2.4
96.04481	2.9
96.08127	4.6
97.02898	20.8
97.06535	9.6
98.06059	11.9
98.06715	1.3
98.97594	4.5
99.04459	3.5
103.03964	1.2
103.05470	1.5
105.07019	3.5
106.06567	2.5
107.04941	2.1
107.07312	1.3
107.08593	1.4
108.07445	1.1
108.08128	18.2
109.02885	7.5
109.06528	1.5
110.06060	3.2
110.09689	6.9
111.04438	1.4
111.11012	1.7
111.11723	20.8
111.65022	1.1
112.07535	1.4
114.17239	1.2
115.05463	2.3
116.07107	2.1
116.98609	3.2
117.05762	2.0
117.07040	2.0
118.06526	1.9
119.04955	6.3
119.08601	1.7
120.08107	12.4
121.06518	5.6
121.07507	1.2
121.08907	2.0
121.10125	1.5
122.06031	75.1
122.09662	1.6
123.08084	1.6
124.03953	1.6
124.07596	5.0
127.03917	19.3
129.07005	3.6
130.06557	2.3
131.07262	1.7
131.08565	2.4
132.08096	7.1
134.06027	3.4
136.07581	61.2
137.07961	2.4
138.09140	46.1
138.10197	2.6
139.09366	1.4
140.07074	13.1
145.04955	37.2
146.05994	3.4
146.09644	4.1
147.04402	10.9
147.05495	2.3
147.06857	1.1
148.07562	1.7
149.07083	9.5
150.05522	3.2
150.09172	1.7
153.10199	5.4
153.79221	1.1
156.08092	3.6
157.06480	2.8
158.08160	3.5
158.99757	1.2
159.06776	3.0
159.54767	1.1
160.07570	16.7
161.08264	1.4
162.05573	6.9
162.09093	1.4
163.03889	4.7
163.06039	17.9
163.08670	5.1
164.07072	100.0
165.07503	6.1
165.08951	1.7
165.10309	2.5
168.06630	1.8
172.11215	1.5
173.02319	2.4
173.08344	2.2
174.02649	1.4
174.09152	22.3
175.05069	1.9
175.08643	1.4
176.07133	1.8
176.10667	1.8
177.00774	2.2
177.06599	44.1
177.10046	2.3
177.12717	1.2
178.07196	2.4
178.08647	9.9
181.09720	81.6
182.08148	3.3
182.10056	3.1
184.07610	2.3
185.05934	3.1
187.06189	1.3
188.07068	28.7
189.07489	1.7
189.10291	1.5
190.08591	5.9
191.08160	97.0
192.08511	3.6
192.10222	3.4
193.09726	3.8
198.09157	2.2
199.08745	1.2
200.07146	2.6
200.10808	2.7
201.10223	4.3
202.08644	96.1
203.04501	6.1
203.08192	6.6
205.06143	3.7
205.09744	6.7
205.26653	1.2
206.08138	8.5
215.07037	2.3
215.11865	1.8
216.07458	3.3
216.10266	7.7
217.09776	7.5
218.08150	1.5
218.10071	1.2
219.11317	13.6
220.09721	10.7
226.08498	1.2
227.08153	2.2
229.06189	4.3
229.09689	2.0
230.08133	50.8
230.10480	2.6
231.07980	4.5
231.11237	2.7
233.09230	2.5
237.02904	2.6
237.12425	2.3
241.09598	1.6
243.07584	2.3
243.11185	5.6
244.09727	12.2
245.09280	10.2
247.10847	10.8
248.09180	49.0
249.09506	3.5
259.10519	4.4
260.09921	4.2
261.08966	1.3
261.12393	7.3
262.10736	3.7
263.10388	4.6
265.11856	9.8
271.07199	3.1
271.10739	1.1
272.09174	20.5
273.08810	3.1
278.11099	4.1
279.13446	7.8
281.11343	12.5
285.12369	2.0
287.10263	30.1
288.08429	10.0
289.08636	2.6
289.11786	10.8
290.10187	12.4
291.09879	5.1
303.13553	1.9
305.11224	2.4
307.12875	74.6
308.13147	5.1
315.09705	3.2
319.12756	1.9
321.14270	1.4
333.10828	26.1
334.11353	1.1
340.12903	1.8
352.16556	3.4
364.16644	1.8
382.31509	1.2
406.17459	3.9
411.16580	2.8
424.18628	8.3
425.17130	3.5
428.17661	1.7
452.18170	8.2
453.18222	1.6
470.19211	14.8
471.18442	9.4
471.24615	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1432
Annotation	Gnetuhainin C
Peak:m/z	Relative Intensity
56.96569	0.7
57.03417	1.4
61.02918	1.1
65.03939	5.3
68.05009	1.5
69.03152	0.4
69.03440	4.4
70.06583	0.5
71.04983	0.7
71.28289	0.5
71.28698	0.7
73.02892	0.7
81.03413	1.2
83.04978	0.7
85.01131	2.0
85.02900	9.9
87.04436	0.7
92.05012	3.1
94.06556	0.6
97.02899	2.4
98.00638	1.4
98.97616	1.4
99.02678	2.6
99.04443	0.7
109.02876	1.3
110.06047	0.5
110.97571	1.0
112.92539	0.5
113.02962	1.3
116.98644	0.9
119.04931	0.7
120.04467	100.0
121.04800	2.4
122.06063	2.6
122.06815	0.5
124.85419	0.5
126.03741	22.4
127.03894	1.9
127.04588	1.5
144.04782	72.8
145.05029	2.6
147.04419	3.9
148.03960	2.5
149.07118	1.4
150.05534	1.1
158.99738	0.7
166.05002	69.0
167.05409	1.5
168.06534	0.7
170.99620	0.6
181.04042	0.6
186.05855	2.2
213.00652	0.5
219.01717	0.6
234.08185	2.0
247.09006	1.9
261.02847	0.5
265.10071	14.4
266.10489	1.2
273.07016	1.1
275.10513	0.5
288.08783	0.5
288.55035	0.5
291.05054	0.5
291.07925	2.8
306.10040	5.8
309.09033	9.3
309.14459	1.1
427.15356	6.8
453.13327	4.9
471.14322	92.1
472.14667	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	471.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.8
67.05505	1.1
68.98417	4.2
68.98825	1.3
69.03407	1.1
69.07067	0.9
76.59423	0.7
79.05492	1.2
81.03400	0.9
81.07048	2.6
85.02879	0.6
85.06509	0.6
88.92997	0.7
91.05469	1.5
93.07027	1.1
94.15556	0.6
95.04955	1.3
95.08612	1.6
97.02912	1.0
97.06525	2.6
105.03391	1.7
105.07014	0.8
107.04883	0.6
107.08591	0.8
114.10994	0.8
119.08584	1.3
137.09558	0.8
147.04398	1.9
149.09648	0.9
165.09164	3.2
189.09076	1.1
201.03700	1.1
203.05194	0.7
215.06961	0.9
223.16913	1.9
267.89310	0.6
275.07361	0.9
333.07928	60.5
334.08350	2.7
335.09503	30.3
336.10126	1.0
413.67599	0.7
471.21909	100.0
472.22269	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	471.22
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07077	0.4
70.61093	0.4
70.61423	0.7
79.05487	0.6
79.93372	0.3
81.07039	1.1
81.70412	0.3
91.05476	0.5
97.06490	0.6
98.27875	0.3
98.29890	0.4
113.10170	0.3
142.49023	0.3
151.78470	0.4
168.03181	0.4
171.00085	0.3
178.94926	0.3
201.03683	0.4
203.05298	1.0
209.15007	0.4
275.07376	0.7
333.07913	58.4
334.08261	1.9
335.09473	27.5
336.09827	1.1
402.34579	0.3
471.21988	100.0
472.22415	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	471.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74083	4.1
51.90675	3.9
53.03942	9.6
55.01876	8.1
55.05506	30.9
57.03436	35.1
57.07078	9.3
57.35971	3.5
61.02927	75.0
62.91166	3.4
65.03944	6.1
67.05505	87.0
69.03431	36.2
69.07069	27.4
71.05009	6.0
71.08628	3.6
73.02926	38.4
79.05486	35.5
81.03401	30.9
81.07056	100.0
83.04968	11.1
83.08633	20.0
85.02901	74.3
85.06542	6.3
91.03957	40.5
91.05469	35.3
93.07041	34.1
95.04984	9.7
95.08605	63.2
97.02895	68.6
97.06515	10.0
97.10176	11.3
98.22570	9.9
99.04446	11.5
99.08091	12.1
101.02379	19.6
103.03945	12.0
105.07034	22.9
107.08588	16.0
108.32043	3.5
109.02853	11.5
109.10159	27.3
111.04465	4.7
111.08062	5.9
113.09631	4.5
115.03973	8.9
117.07027	4.9
119.08593	20.3
121.10136	20.0
123.08086	5.5
123.11709	16.9
125.09611	5.8
127.03907	24.8
129.05492	6.7
129.07030	6.6
131.08585	11.0
133.10115	19.2
135.08115	3.5
135.11690	23.0
137.09607	5.6
137.13260	8.0
139.11124	4.1
143.08504	6.0
145.04985	11.6
145.10141	11.3
147.11682	11.7
149.13255	9.3
151.14752	5.2
161.09636	5.1
161.13231	13.7
171.11636	5.1
173.96704	4.1
196.85899	3.5
203.14186	4.5
217.19528	21.3
229.04483	3.9
235.20569	15.0
236.14908	6.0
309.24188	87.2
471.29681	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	472.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84443	0.7
53.03934	1.7
55.05511	1.4
65.03917	0.9
67.05507	0.9
67.37847	0.7
69.03429	4.6
70.56131	1.3
71.04993	1.8
79.05490	1.0
80.05026	1.6
81.03421	19.3
83.04982	0.8
84.34281	0.8
85.02908	2.0
85.06525	0.8
86.06059	1.1
91.05481	10.4
95.04980	1.1
97.02904	6.2
99.04442	1.0
107.04969	0.9
111.04440	3.8
113.06007	12.2
119.04949	25.7
120.05273	1.5
125.02354	1.4
138.09120	1.4
143.03413	1.7
147.04408	100.0
148.04720	6.1
156.28543	0.7
158.84479	0.8
165.05495	1.7
183.08112	0.9
185.04164	1.7
197.09642	1.3
207.13881	1.0
228.15947	0.9
270.24210	0.7
283.09348	1.3
309.03421	2.8
310.04047	2.9
311.09073	1.0
325.09171	2.5
349.08685	0.9
422.14523	1.2
434.15869	0.8
437.14429	30.6
438.14566	3.0
454.19394	1.3
466.50623	0.7
472.02994	1.1
472.09314	20.2
472.20688	1.5
473.09390	1.1
473.23248	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.4
55.05511	17.6
57.03444	17.7
57.07092	3.5
59.04997	5.2
67.05505	100.0
68.72090	3.0
69.03426	3.3
69.07064	4.5
71.04988	6.2
71.28920	4.7
79.05499	23.6
81.03414	12.1
81.07056	31.8
83.01379	6.6
83.04986	12.1
83.08617	16.0
84.74158	3.4
91.05487	15.5
93.07052	23.5
95.04980	10.1
95.08641	14.6
97.06508	3.5
105.07040	8.6
107.04955	8.0
107.08606	13.1
109.06537	4.6
109.10155	66.3
111.08071	5.7
117.07037	7.7
119.08587	16.5
120.08170	3.3
121.10167	8.3
123.08043	5.6
129.07069	2.8
131.08475	4.2
132.43068	2.8
133.10164	3.5
135.11696	9.0
137.09590	5.1
145.10152	10.3
155.10814	3.9
163.11214	21.6
171.42915	2.6
173.09656	3.1
173.11743	25.8
181.12337	3.8
189.71320	2.7
209.11800	10.2
227.12779	6.2
229.14343	86.6
230.14735	3.9
249.21193	3.0
283.15384	88.6
284.15753	4.2
328.28864	3.3
381.20914	5.0
414.12875	3.2
437.25385	58.1
438.25189	5.5
473.26077	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	472.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.8
55.01880	8.4
55.05513	20.6
57.03445	17.5
59.05001	7.8
65.03936	2.7
67.05509	94.4
68.05826	2.0
69.07072	5.3
69.82332	5.1
70.03803	1.3
71.01353	1.9
71.04999	6.9
73.85017	1.3
79.05485	16.7
81.03006	1.7
81.03413	8.9
81.07060	25.1
83.01346	7.3
83.04987	7.6
83.08618	16.4
85.02893	2.9
85.06558	3.8
91.05483	17.0
93.07040	22.8
94.07400	1.2
94.65816	1.2
95.04976	6.5
95.08607	12.0
97.02877	1.4
97.06546	5.9
97.10152	2.0
98.22693	2.6
99.04495	2.3
99.08140	1.4
99.77901	1.4
105.07037	9.2
107.04955	7.6
107.08580	11.7
109.06521	6.4
109.10158	77.2
110.10469	2.8
111.04433	2.2
111.08089	4.8
117.07013	6.0
119.08583	11.6
120.08103	1.9
121.06529	3.3
121.10150	6.7
123.08078	7.5
124.29594	1.6
124.70083	1.3
125.09628	1.8
131.08583	4.1
133.10133	2.8
135.08087	2.4
135.11703	7.4
137.09637	3.9
139.07423	1.5
143.08556	2.9
145.10153	13.0
147.08113	3.3
147.74084	1.3
149.02313	3.2
152.78809	1.3
153.12790	2.3
155.08548	2.1
155.10706	4.4
163.11189	19.9
173.09673	3.1
173.11739	29.1
181.12238	3.8
189.09193	1.4
191.10620	2.0
193.04985	2.6
194.07289	1.5
209.11707	9.7
227.12811	5.3
229.14362	100.0
230.14697	4.1
245.27411	1.3
283.15414	87.7
284.15720	6.5
381.20624	1.8
437.25351	60.7
438.25677	5.4
472.23468	2.0
473.25385	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	472.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74423	0.2
53.03951	0.2
55.01871	0.4
55.05511	3.4
56.05045	0.3
57.03439	7.7
57.07067	0.8
58.06600	33.1
59.05005	0.3
59.06919	0.4
59.07381	10.6
60.02131	0.2
60.08165	9.7
62.56953	0.2
64.10226	0.2
64.62830	0.2
67.05507	2.6
69.07074	3.9
71.05004	0.2
71.08627	0.4
73.02925	1.0
75.04054	0.2
75.04481	3.9
79.05499	1.6
81.07056	2.6
83.04969	0.2
83.08615	1.9
83.52258	0.2
84.08157	0.5
85.02908	2.5
87.03924	0.3
87.04468	5.9
91.05474	0.3
91.17236	0.2
93.05533	0.7
93.07034	1.3
95.08611	2.1
97.06536	0.5
97.10168	0.7
98.22543	0.4
100.11273	0.4
101.06043	0.3
102.05508	0.4
103.03944	0.7
105.05499	1.0
105.07004	0.3
107.08595	0.8
109.10149	0.5
111.08039	0.2
113.06012	0.5
119.08485	0.2
120.23940	0.2
121.10200	0.9
130.08640	0.2
131.07053	2.3
135.11687	0.8
137.13292	0.2
137.90811	0.3
144.10191	8.1
159.06538	0.4
162.11255	4.3
200.12823	0.5
210.32414	0.2
218.13914	0.8
236.14917	100.0
237.15260	3.4
290.92535	0.2
306.89386	0.2
308.80588	0.2
311.25757	0.4
318.92917	0.2
367.28564	0.2
410.36267	0.4
454.35248	22.7
455.35605	2.1
472.36316	60.9
473.36682	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	472.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
55.05507	6.4
57.03440	5.9
57.07044	1.3
57.09565	0.4
58.06599	43.4
58.07016	1.1
59.04966	0.6
59.07383	11.6
60.08165	12.5
67.05196	0.4
67.05505	5.4
69.07067	6.8
70.54934	0.9
71.08615	0.6
73.02916	1.1
75.04485	3.5
79.05485	3.6
81.06606	0.5
81.07059	7.0
83.08617	7.8
84.64920	0.4
85.02902	2.9
87.04463	5.2
91.05462	0.9
91.06524	0.4
93.05509	0.5
93.07044	3.4
95.08614	5.0
97.06508	0.6
97.10153	1.4
99.08044	0.5
102.05540	0.5
103.03916	1.0
105.05485	0.9
105.07004	0.4
107.08565	1.8
109.10134	1.5
112.36008	0.5
113.05988	1.2
121.10147	2.9
121.10875	0.5
123.11642	0.5
129.27675	0.4
131.06998	1.9
131.08525	0.6
135.11658	1.3
144.09109	0.7
144.10187	9.3
149.13255	0.7
159.85275	0.4
162.11278	2.7
167.58965	0.4
179.13737	0.4
200.12842	0.7
218.13864	0.7
236.14915	98.0
237.15237	3.0
311.25848	1.3
341.97858	0.5
410.36060	0.8
443.84125	0.5
454.35236	25.5
455.35617	2.4
472.36322	100.0
473.30179	0.4
473.36639	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	472.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84982	4.0
53.43596	4.5
55.01870	28.3
57.07071	19.9
67.05509	6.1
69.07060	9.3
71.08630	13.7
76.77917	6.0
78.13979	5.3
81.07063	9.5
83.08654	4.6
83.94305	4.2
85.10190	6.4
95.08590	8.9
96.86459	4.9
97.06534	100.0
98.23394	9.3
125.05979	30.9
125.93814	4.6
129.05434	7.8
171.65106	4.6
175.91614	5.0
190.58543	4.4
199.09622	7.2
228.93394	7.3
309.64096	4.2
313.27353	51.5
318.87372	4.8
437.32632	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.3
55.05515	2.8
57.03439	5.9
57.07056	0.6
58.06601	27.8
58.71287	0.3
59.07382	9.8
59.18754	0.3
60.08168	8.8
67.05505	2.7
69.07073	3.3
69.34219	1.8
73.02894	1.1
75.04486	4.1
77.76653	0.3
79.05497	1.8
80.05779	0.3
81.04033	0.3
81.07056	2.3
83.08621	2.4
84.08114	0.3
84.42102	0.3
85.02900	2.2
85.06519	0.3
85.10152	0.3
87.03996	0.4
87.04468	4.9
91.05460	0.4
93.07019	1.3
95.08617	1.5
99.08006	0.3
102.05479	0.4
103.03931	0.4
104.67450	0.3
105.05488	0.9
105.06989	0.4
107.08555	0.9
109.10118	0.4
113.05965	0.4
121.10117	1.0
123.11676	0.3
129.05417	0.3
131.07033	1.9
133.10060	0.3
135.11664	0.6
144.10204	6.8
162.11258	3.6
194.25806	0.3
198.80380	0.3
200.12831	0.4
218.13853	1.0
236.14923	100.0
237.15303	2.7
311.25696	0.3
367.28290	0.5
401.09729	0.3
410.36423	0.5
454.35269	21.5
455.35794	1.8
472.36331	60.4
473.36566	5.4
487.59073	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0694
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	4.1
60.08326	0.8
63.52608	0.7
69.03427	1.8
69.77375	0.8
71.28715	1.4
73.02919	1.0
82.07105	0.8
84.96005	1.3
85.02904	1.7
91.05460	1.0
93.07051	0.8
95.21265	0.9
97.02888	1.9
97.06506	0.8
98.97586	6.7
103.05471	2.6
107.04967	0.9
116.98613	1.7
120.08110	34.7
121.08453	9.2
123.04446	0.8
127.03919	0.9
128.70164	0.7
128.98601	1.8
134.99701	1.3
146.99733	1.0
147.04427	4.2
158.99716	1.1
163.03871	1.0
166.08629	14.0
167.09016	4.5
170.99538	0.8
173.51912	0.8
182.01404	1.1
186.00752	1.0
194.08018	1.0
200.02251	1.2
200.04056	1.0
207.28621	1.0
219.01808	1.8
236.02245	0.9
237.02698	2.0
250.03943	1.8
253.02504	1.5
254.03432	1.8
266.03323	0.9
268.04984	4.3
286.06015	1.4
286.97678	0.9
293.15021	3.1
296.04422	1.2
312.04016	2.5
330.04822	2.0
341.12540	1.0
354.04938	2.9
414.23373	1.0
437.78415	1.1
473.06891	100.0
474.08942	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	473.1171
Annotation	Iodovulone II
Peak:m/z	Relative Intensity
69.37116	8.2
87.76507	1.3
88.72785	1.2
90.16823	1.6
98.22605	2.8
132.10240	1.8
136.94072	2.3
139.78879	1.4
161.43158	1.5
166.95168	1.8
194.78113	1.4
210.31940	1.3
217.03799	9.5
255.91090	1.7
293.05518	2.9
343.93939	2.0
441.09131	28.0
442.08032	3.2
457.49890	1.6
473.11795	100.0
474.11310	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	473.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01149	3.2
52.87448	3.1
55.05519	7.0
55.45422	3.7
67.05515	5.5
69.03443	12.7
69.20186	9.4
69.20588	15.6
76.34226	3.4
81.03426	10.4
81.07049	4.9
85.02908	13.8
87.00842	7.2
91.05491	7.3
93.07053	13.4
95.04953	5.4
95.08608	5.8
97.02892	6.0
97.76469	3.2
99.04468	4.5
105.07037	19.9
107.08597	26.8
109.02888	4.8
109.06579	6.9
109.10189	15.1
119.08592	39.5
121.06517	5.5
121.10192	6.2
123.08076	47.9
127.03942	7.4
131.08594	6.0
133.10156	10.0
135.08087	11.3
137.09613	47.9
147.08026	7.3
147.11691	31.4
156.09431	6.8
159.11736	16.2
161.13313	14.4
171.11612	4.3
171.88737	3.1
177.12715	8.9
189.12808	10.0
197.47292	3.5
207.13815	100.0
225.14879	15.5
235.10785	3.8
236.11099	7.4
258.73196	3.8
370.21460	3.5
455.20206	7.3
473.14157	9.0
473.23776	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	473.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	10.0
69.03407	4.1
70.32114	6.9
70.32484	5.9
85.02908	12.7
85.06532	5.9
87.00838	4.2
91.05463	5.2
92.86983	3.4
93.07011	4.3
95.08595	45.6
97.02914	3.7
107.08601	5.9
113.05961	3.6
119.04902	5.5
119.08592	8.0
121.10144	3.5
123.08041	16.6
127.03976	8.0
129.24730	3.5
145.04979	3.4
147.04413	14.4
147.11711	7.9
149.09602	15.9
161.13202	6.5
163.03911	3.7
189.12764	5.5
207.13812	30.2
293.17358	16.7
311.18265	4.9
473.14017	8.0
473.23718	100.0
474.23785	8.0
482.92761	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	473.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	17.0
57.03443	5.3
67.05492	6.6
67.30000	3.3
69.03421	17.4
70.18294	11.3
71.04992	6.1
71.84241	3.0
76.31776	3.1
79.05486	8.9
80.40417	3.1
81.03418	9.8
81.07047	5.3
83.04990	10.1
85.02876	17.7
85.06568	2.9
87.00821	5.5
91.05492	13.0
92.24249	3.0
93.07062	9.0
93.95274	3.5
95.04980	8.5
95.08598	10.1
97.02889	9.9
97.06549	6.0
97.68787	4.2
98.22670	4.1
99.04478	7.8
100.11250	21.4
101.11566	11.3
104.84383	3.5
105.01868	8.7
105.07020	14.8
107.04977	4.6
107.08582	22.7
108.98962	2.8
109.02903	5.0
109.06498	5.2
109.10162	17.9
111.04439	3.8
115.85075	3.8
119.04964	5.2
119.08573	40.4
121.06517	6.6
121.10135	4.0
123.08062	48.7
127.03920	9.4
127.96246	3.5
131.08559	5.4
133.06529	3.7
133.10115	15.9
135.08060	9.4
136.07487	3.2
137.09605	49.6
145.04994	3.7
147.04425	15.2
147.08028	5.9
147.11691	26.5
158.95213	3.3
159.11646	17.4
161.09651	5.1
161.13222	15.2
171.11664	7.3
177.12740	9.3
182.15460	3.8
185.73225	3.4
189.12708	17.0
195.07889	3.8
207.13792	100.0
210.14818	6.1
215.07005	3.5
225.14902	10.1
250.88245	3.7
251.07033	4.6
293.07910	4.2
455.19250	3.3
472.35727	25.6
473.13904	31.5
473.24451	32.8
473.35739	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	473.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.4
54.58814	2.0
55.01875	13.3
55.05514	23.8
57.03421	5.9
61.62033	2.0
65.03928	3.1
67.05505	35.3
69.03417	7.4
69.07081	16.1
69.68424	8.1
69.68777	3.9
71.01404	2.4
71.05003	4.7
79.05492	28.0
81.03416	17.0
81.07055	19.7
83.04981	62.6
83.08607	6.3
85.02898	3.9
85.06550	3.9
91.05465	16.9
93.07040	15.9
95.04961	40.9
95.08607	13.6
97.02898	7.8
97.06532	62.8
97.10158	6.8
99.04441	3.1
101.06027	2.2
103.05469	2.7
105.07030	10.2
107.04987	12.3
107.08598	8.2
107.78372	1.9
109.02882	4.9
109.06535	4.3
109.10170	6.5
115.05433	5.4
117.07026	10.8
119.08582	9.5
121.02842	2.3
121.06479	5.7
121.10119	5.6
123.04417	2.8
123.08073	5.3
125.09663	6.1
127.03888	2.9
128.06233	5.3
129.06998	9.6
131.04932	4.8
131.08563	10.3
133.06546	5.0
133.10152	5.2
135.04362	3.4
135.07980	4.9
135.11687	3.4
137.09677	3.2
141.06985	7.9
143.08527	7.8
144.05685	2.7
145.06479	9.4
145.10110	6.9
147.04410	5.3
147.08104	4.1
147.11732	2.8
149.09654	2.5
151.07542	2.4
151.11110	2.2
152.06233	2.9
153.06981	5.4
155.08662	4.3
157.06519	5.8
157.10149	5.2
159.04456	3.1
159.08038	9.9
159.11679	5.8
160.05251	2.4
161.06017	10.2
161.09624	5.2
163.03883	9.4
163.11198	7.6
165.07001	3.5
165.09132	14.2
167.08568	7.7
169.06493	7.6
169.10143	3.3
170.07251	3.1
171.04338	2.8
171.08083	8.6
173.06012	10.5
173.09644	7.9
173.13191	3.5
175.03864	3.0
175.07584	4.4
175.11208	3.5
177.08969	3.0
179.08514	2.7
181.06499	10.3
181.09988	5.7
183.08061	7.3
185.06012	7.0
185.09624	6.9
187.04013	5.1
187.07582	11.8
187.11089	2.6
188.08342	5.0
189.05486	3.1
189.09056	13.3
191.06984	5.5
191.10603	2.8
193.04990	3.0
193.10173	2.7
193.12302	3.6
195.08029	9.4
195.11726	5.0
197.04320	3.7
197.05965	6.9
197.09715	3.9
198.06734	3.0
199.03976	3.1
199.07579	10.7
199.11137	3.2
200.04648	3.1
200.08260	2.6
201.05562	5.6
201.09108	13.9
203.10605	4.3
207.02866	3.8
207.08020	3.2
209.09657	6.3
210.10390	4.4
211.07567	6.3
211.11212	6.8
213.05513	4.6
213.09041	12.5
214.06204	3.6
215.03441	5.5
215.05258	5.3
215.07054	24.9
217.05080	3.6
217.08612	3.0
221.09497	2.5
223.07593	6.5
225.09138	10.4
227.06950	6.1
227.10692	3.3
229.08629	9.9
229.12109	4.2
237.09091	4.2
238.09898	7.1
239.10629	3.8
239.14360	8.7
241.08647	10.8
241.12230	7.7
243.06514	12.9
243.10062	4.1
247.13356	5.1
249.12598	3.5
251.10655	3.6
253.08710	2.5
255.10153	4.7
257.07947	4.9
259.06021	2.9
259.09637	12.9
265.12122	3.2
267.10870	3.2
267.13776	24.1
269.11771	11.9
269.14569	2.0
271.13449	2.6
283.13257	5.9
285.14871	6.5
287.09125	9.4
291.13840	3.5
293.11606	5.3
295.13327	2.9
309.14838	5.5
311.12759	54.8
312.12900	4.1
313.14389	7.1
315.19537	9.2
327.15845	6.4
329.13596	5.1
337.14337	23.1
353.21191	3.7
355.15399	100.0
356.15677	7.4
373.16327	3.2
381.20544	21.7
399.21524	9.1
417.22961	2.8
431.13287	4.7
431.54477	2.4
455.12549	2.8
455.24435	4.8
473.13516	35.0
473.19775	2.7
473.25165	69.8
474.25745	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	473.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
55.01863	4.4
55.05509	27.5
57.03436	4.8
57.41040	2.4
58.06608	1.8
62.87852	1.9
65.03938	4.3
66.56227	2.1
67.05503	35.5
69.03429	4.9
69.07066	10.8
69.12008	2.0
71.01368	1.6
71.04996	2.9
71.29762	1.7
77.02874	1.7
79.05501	12.7
81.03416	6.3
81.07065	12.1
83.04984	73.8
83.08621	2.9
85.02903	6.1
85.06522	3.1
91.05486	8.2
93.07034	9.4
95.04376	2.9
95.04974	48.3
95.08603	6.3
97.02879	5.6
97.06527	36.8
105.07004	5.9
107.04970	3.7
107.08589	6.4
109.02829	2.3
109.06490	3.5
109.10139	3.9
115.05450	2.9
115.52806	1.8
117.07004	3.8
119.08569	6.0
121.06514	2.6
121.10131	2.0
123.08047	2.0
125.09615	3.4
125.31988	1.8
127.03921	2.1
128.06219	3.6
129.07011	3.6
131.08574	7.4
133.06511	2.4
133.10139	5.0
135.11581	1.8
137.09587	2.7
141.06976	3.9
143.08531	3.3
144.05638	1.9
145.06483	4.4
145.10078	2.3
147.04411	3.5
147.11717	2.2
149.09596	2.7
153.06973	4.5
155.08531	2.1
157.06490	3.1
157.10106	2.9
159.08014	10.4
160.05212	2.8
161.06004	6.5
163.03877	3.3
165.07008	2.3
165.09087	12.3
167.08583	5.9
169.06502	6.1
169.10094	4.2
171.08080	3.5
173.06030	10.8
173.09633	5.2
175.04013	2.4
175.11142	2.2
181.06490	6.6
181.10106	2.2
183.08061	5.9
183.11725	2.7
185.05984	5.5
185.09564	5.1
187.03947	3.2
187.07536	8.9
188.08299	7.2
189.09090	6.7
191.10641	3.7
191.14352	2.1
193.10085	2.2
195.08057	5.5
197.06020	6.4
197.09607	5.5
199.07535	6.2
201.05423	3.5
201.09094	16.3
207.08153	2.2
209.09637	2.9
211.07538	2.7
211.11230	4.7
211.14685	2.0
213.05566	2.3
213.09106	5.5
215.07031	34.9
216.07330	2.6
217.08618	2.9
221.09718	2.2
223.07559	6.1
225.09023	11.3
227.06972	6.2
227.10619	4.4
229.08540	10.5
229.12268	2.8
236.14899	4.0
237.09314	2.1
237.12759	3.0
237.15189	3.6
238.09885	10.9
239.10617	5.0
239.14308	6.6
241.08566	10.4
241.12177	4.4
243.06599	11.2
243.10197	5.1
251.10670	2.4
253.08675	2.7
253.12228	2.6
255.10094	2.1
255.13754	2.0
257.15396	2.6
259.05972	1.9
259.09589	3.2
265.12244	2.9
267.10480	3.4
267.13745	24.7
269.11682	4.2
276.66476	2.0
281.15118	2.4
283.13324	3.6
285.14859	7.2
287.09137	5.5
293.11719	3.4
295.13327	4.9
305.10318	2.8
309.14951	3.5
311.12762	43.2
311.16373	2.5
313.14255	6.7
327.15936	6.2
329.13672	4.1
337.14313	23.2
355.15402	100.0
356.15787	7.8
373.16135	3.4
381.20471	5.4
403.17850	2.1
473.13998	8.5
473.26477	17.3
474.26895	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	473.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	7.6
55.01867	18.2
55.05511	29.5
57.03436	7.7
67.05505	39.7
69.03435	6.0
69.07063	15.2
79.05497	60.7
81.03415	51.1
81.07048	45.0
83.04977	11.0
83.08611	11.9
91.05483	38.6
93.07038	35.8
95.01332	4.6
95.04945	19.5
95.08591	25.2
97.02908	4.3
97.06538	12.2
97.10171	17.2
102.42973	3.9
103.05464	3.8
103.38747	3.9
105.07031	29.4
107.04952	60.7
107.08595	19.2
109.02890	6.4
109.06538	7.6
109.10151	8.7
111.04495	4.3
115.05383	6.0
117.07003	26.0
119.04866	4.5
119.08570	22.2
121.06494	13.6
121.10138	9.1
123.08079	13.3
125.02371	8.6
125.09611	11.3
128.06226	6.6
129.06978	15.5
131.04942	10.8
131.08563	15.7
133.06474	8.4
133.10127	8.9
135.04401	8.2
135.08055	6.7
135.11691	11.7
137.05991	4.4
141.06987	10.0
143.08551	11.5
145.06459	16.5
145.10121	20.4
147.04407	9.4
147.08040	12.6
149.09602	6.7
151.07623	4.4
153.06931	4.4
153.09067	4.7
155.08563	12.4
157.06433	6.7
157.10109	9.1
159.08072	7.6
160.05217	12.1
161.05957	15.3
161.09598	11.3
163.11189	18.9
165.09163	10.2
167.08571	5.7
169.06456	4.9
169.10078	5.9
171.08014	7.5
171.11722	5.5
173.05949	11.3
173.09538	6.2
181.10101	5.6
183.11591	4.5
185.09630	5.5
186.06683	4.8
187.07570	7.2
189.09116	53.9
189.10912	7.2
190.09424	4.8
191.10719	15.6
193.10190	4.1
197.09668	5.1
199.11266	5.0
209.09712	5.3
209.11545	5.9
211.11136	6.5
227.10629	4.1
227.12566	5.1
237.11140	11.9
247.13260	4.6
253.12294	4.2
265.14478	7.8
269.11670	4.1
289.14313	13.6
353.21011	8.7
363.19354	12.2
371.22177	5.4
381.20618	57.3
382.20914	7.8
399.21646	21.2
411.13351	3.7
417.22348	4.6
426.42432	3.6
437.22830	7.0
455.24222	40.1
464.29843	4.6
473.25223	100.0
474.25696	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	473.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04675	0.2
52.79297	0.2
53.03963	0.4
55.01875	0.5
55.05510	2.4
57.03435	0.3
57.07064	0.6
58.06602	0.3
59.05017	0.3
61.02925	0.2
66.40873	0.2
67.05507	5.5
67.34544	0.2
67.85952	0.2
69.03442	1.0
69.07067	2.7
70.06598	0.4
70.81698	0.2
71.04992	0.5
71.29152	0.2
79.05485	2.1
81.03426	0.5
81.06587	0.4
81.07060	6.5
83.04980	2.8
83.08601	1.0
85.02894	0.7
85.06549	0.6
87.04472	0.3
91.05476	2.1
93.07040	3.6
95.04964	1.2
95.08610	5.1
97.02889	0.5
97.06526	2.6
97.10176	0.8
97.94504	0.2
99.04463	0.5
99.08135	0.4
101.06023	2.7
103.05495	0.2
103.44175	0.2
105.07034	2.1
107.04951	0.6
107.08593	3.4
109.02822	0.3
109.06509	0.6
109.10163	6.2
110.10456	0.2
111.04462	0.4
111.08073	0.7
111.11743	0.2
113.09635	0.6
115.05450	0.2
115.07564	0.6
117.07008	0.4
119.08579	3.6
121.06528	0.6
121.10145	2.2
122.07279	2.0
123.04424	0.2
123.08074	1.0
123.11716	2.5
125.05997	0.4
125.09612	0.3
127.03919	0.3
127.11170	0.3
128.06230	0.3
129.05511	1.1
129.07042	0.3
129.09109	0.4
131.08568	0.7
133.06483	0.2
133.10139	1.0
135.08025	1.0
135.11681	1.9
137.09616	11.6
137.13280	0.5
138.09932	0.3
139.03801	0.2
139.11174	0.2
141.01537	0.2
141.09033	0.3
143.07057	0.3
143.08582	0.4
145.06537	0.3
145.10133	0.8
146.46991	0.2
147.04433	0.4
147.07997	0.3
147.11696	0.9
148.06015	0.2
149.09624	3.3
149.13258	3.4
151.07550	1.5
151.11215	0.2
153.09120	0.4
153.12669	0.3
155.07062	0.3
155.08467	0.2
155.10579	0.2
156.84462	0.2
157.08586	0.5
157.10144	0.3
159.08066	0.3
159.11684	0.4
160.08850	0.4
161.05986	0.3
161.09505	0.8
161.13225	1.0
163.03871	0.4
163.07550	0.4
163.11203	0.6
163.14793	0.9
165.09116	100.0
166.09451	3.4
167.08466	0.2
169.08597	0.2
171.08063	0.4
173.02293	0.3
173.09608	0.5
173.13258	0.3
174.10341	0.3
175.07523	0.7
175.11162	1.4
175.14836	0.4
176.08182	0.2
177.09145	1.7
177.12735	0.4
179.10681	1.2
181.06552	0.2
181.12207	0.8
183.08020	0.3
183.10240	0.2
183.11813	0.2
184.07265	0.3
185.09677	0.3
187.07581	0.3
187.11179	0.6
187.14824	0.3
188.08289	0.3
189.09145	1.9
189.12767	1.4
189.16440	0.2
190.09840	1.0
191.10669	1.5
195.08133	0.2
197.05855	0.2
197.11676	0.3
201.12689	0.4
203.10675	2.3
203.14339	0.8
205.12253	8.5
206.12659	0.3
207.13799	0.4
211.13306	0.3
212.08315	0.3
213.09129	0.3
213.12743	0.3
215.05215	0.2
215.07037	0.7
217.12270	1.3
219.13875	0.4
221.15373	0.2
225.09081	0.3
225.14734	0.3
231.13831	0.7
236.14964	0.5
237.09254	0.3
239.10684	0.2
239.16382	0.3
241.08505	0.3
241.12224	0.6
245.15408	0.6
253.12111	0.2
253.17953	0.4
257.22714	0.3
259.09781	0.7
267.13721	0.2
269.11841	0.3
275.23767	0.4
283.13364	0.5
295.22836	0.2
301.21634	0.3
303.23111	0.3
309.14752	0.5
309.24274	2.2
311.12619	2.1
313.14148	0.2
313.81683	0.2
321.24289	3.1
322.24344	0.3
329.24619	0.3
355.15427	0.9
359.85855	0.2
381.20667	0.4
399.21603	0.2
417.26361	0.2
427.32132	1.1
437.30670	0.2
449.05417	0.2
455.13202	0.3
455.31302	0.2
473.13977	2.3
473.19855	6.2
473.25690	1.1
473.31671	2.0
474.14627	0.2
474.20428	0.4
474.26447	0.6
474.32901	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32431	0.5
53.03946	0.7
54.99277	0.5
57.03430	1.4
59.41585	0.5
59.94399	0.5
61.02914	0.6
65.03938	1.0
66.33720	0.5
69.03432	4.8
69.34740	0.5
70.24161	0.8
70.24503	1.1
71.05025	0.8
76.45765	0.4
81.03427	3.1
85.02905	4.9
91.05489	5.4
91.90749	0.5
94.59511	0.5
95.04962	2.0
97.02895	6.3
98.23266	0.6
99.04458	2.1
101.02368	1.2
107.04951	1.1
109.02889	1.1
113.02375	1.0
113.06049	0.6
113.53816	0.5
119.04953	14.4
120.05264	0.6
121.06549	0.9
123.04436	11.5
127.03938	2.4
131.03435	1.6
147.04410	100.0
148.04790	3.4
153.86371	0.6
163.03923	0.7
165.05479	6.8
172.24710	0.4
250.40253	0.5
267.08682	2.8
291.08640	0.7
309.09662	15.4
310.10046	0.7
318.22189	0.5
366.75867	0.5
474.19070	0.5
475.18018	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	474.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50056	1.8
60.73141	1.9
69.03425	7.6
71.33340	3.1
85.02892	2.3
91.05492	5.4
97.02892	2.5
97.06538	4.4
99.04466	2.4
119.04930	12.7
147.04419	100.0
148.04762	3.5
259.09622	3.0
309.09711	7.0
309.22281	2.0
329.58405	2.2
400.20438	2.0
474.24002	2.6
475.32562	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	474.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92736	0.3
54.44184	0.3
69.03415	0.9
69.99200	1.0
79.22982	0.4
81.03396	0.4
83.88383	0.3
85.02892	0.5
95.81194	0.4
97.06531	0.9
113.05949	0.4
119.04957	1.4
131.64185	0.3
147.04411	6.7
163.03886	0.4
200.97990	0.3
215.07016	0.4
259.09753	0.8
309.09775	0.7
455.83328	0.3
457.31277	0.6
475.32529	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	474.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41853	1.2
53.03954	1.6
55.05518	2.1
57.03435	2.6
67.05505	1.3
69.03433	14.0
69.22179	3.8
69.22585	2.2
70.06608	1.2
70.97932	0.9
71.05002	1.3
80.05015	3.2
81.03405	6.9
82.06588	1.6
83.04997	2.7
85.02908	3.2
90.95049	1.0
91.05477	4.8
95.04990	2.6
97.02898	5.7
98.06051	2.9
99.04449	6.9
99.98445	1.0
107.04955	2.8
109.02882	1.6
113.06047	1.9
116.07101	2.4
119.04934	11.9
121.06512	1.0
123.04429	15.8
127.03911	5.2
128.14015	0.9
138.35341	1.0
138.40590	0.9
147.04408	100.0
148.04753	3.3
165.05498	4.8
185.05945	1.7
203.07036	1.0
215.07025	1.7
217.61401	0.9
259.09723	1.2
267.08649	6.9
291.08578	1.4
309.09668	30.0
453.49438	1.1
474.16714	1.8
475.18094	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	474.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
64.71949	2.4
69.03423	7.6
70.58514	2.7
71.32629	3.0
73.19749	2.2
91.05482	5.4
97.02880	2.9
97.06518	2.6
99.04446	4.1
109.15380	2.1
115.57266	2.3
119.04955	17.9
120.56545	2.3
147.04416	100.0
148.04613	3.7
151.82388	2.4
177.19157	2.7
209.36319	2.3
259.09549	4.8
341.06448	2.5
453.48471	2.7
472.38190	3.0
475.32568	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	474.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43692	5.7
55.01400	4.8
55.01866	16.2
55.05517	32.7
55.88486	5.3
57.03441	11.1
58.29534	4.7
67.05511	69.2
67.39416	5.2
69.03452	5.2
69.07063	11.5
71.28842	6.3
79.05494	53.9
81.03419	29.3
81.07064	53.4
83.04994	9.4
83.08631	17.2
85.02919	8.3
85.06549	8.6
85.13649	6.5
91.05493	49.5
93.07051	39.1
95.01328	7.6
95.04966	30.0
95.08614	36.9
95.32497	5.5
97.06538	6.5
97.10171	19.9
103.05492	8.1
105.07030	30.4
107.04957	22.7
107.08597	23.4
108.11990	4.9
109.02925	7.8
109.06527	7.6
109.10156	16.1
115.05406	6.7
117.07011	21.0
119.08583	17.6
121.06516	12.0
121.10124	10.5
123.08104	8.9
125.09631	21.1
129.06990	17.2
131.04939	8.1
131.08582	12.4
133.10100	17.7
135.08038	16.5
135.11667	9.2
141.01837	15.5
141.06961	8.6
143.08533	11.4
145.06493	13.6
145.10130	16.1
147.04472	6.4
147.08070	9.1
147.11674	12.7
155.08504	7.8
159.08109	11.7
161.05986	28.8
163.11189	16.3
169.06529	6.9
171.08022	8.2
173.06027	7.4
173.09621	10.5
183.11656	12.2
189.09102	8.7
191.10744	6.0
193.12274	15.9
197.05806	6.0
197.09583	8.1
211.07559	27.0
211.11121	6.9
213.12892	8.8
225.09103	25.3
228.71111	8.7
239.10629	13.1
240.11476	100.0
241.12187	7.6
253.12209	11.6
269.15350	10.3
271.13330	6.3
281.15369	62.4
289.14352	21.6
355.22797	7.4
365.21133	14.1
383.22134	71.3
401.23224	35.2
431.24313	6.9
438.10489	6.6
439.25079	10.3
457.25797	71.1
474.25638	8.5
474.97202	6.0
475.26785	84.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68604	0.7
55.05507	4.2
60.33121	0.7
62.93262	0.7
65.03941	1.2
67.05498	2.4
69.03421	3.1
69.07064	1.6
69.79211	2.1
79.05495	8.7
80.05852	0.6
81.07024	0.8
83.04983	4.6
85.02906	1.6
91.05478	8.6
93.07036	3.2
97.02889	1.1
97.06543	2.8
98.22528	0.9
105.07004	5.1
107.08593	100.0
108.08921	2.3
109.06527	2.3
119.06079	1.5
121.10138	8.7
131.08578	1.0
133.10136	2.3
135.08096	1.8
135.88684	0.7
139.93370	0.8
145.10103	0.9
147.11681	1.4
149.13240	6.8
163.03897	4.6
163.14740	0.7
173.13280	1.3
188.53624	0.7
191.14305	39.3
192.14650	1.3
202.32359	0.7
215.07065	1.0
259.09653	4.8
308.74316	0.7
360.24063	0.8
366.18161	0.9
421.14804	1.1
473.32068	1.3
473.81870	5.9
474.31470	5.6
474.81525	2.3
475.32544	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	474.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
55.05509	6.0
57.03427	2.3
57.07086	1.6
60.28427	1.3
61.96913	1.5
62.01913	1.7
64.17417	1.8
65.03952	1.9
67.05502	5.5
69.03433	9.8
69.07063	11.4
71.38255	2.1
75.66447	1.5
79.05487	16.2
81.03400	3.0
81.07057	7.4
83.04986	4.2
83.08618	6.8
85.02914	4.2
86.09711	1.9
91.05472	24.7
93.07049	17.1
95.04991	2.5
95.08589	10.6
97.02888	7.0
97.06554	4.6
99.74503	1.5
105.07021	22.3
106.07364	1.6
107.04939	2.4
107.08595	100.0
108.08939	3.0
108.25103	1.4
109.06526	5.2
109.10164	5.3
115.05474	2.1
116.06242	2.3
117.07029	5.3
119.05029	1.8
119.06032	1.6
119.08581	29.7
119.09361	3.0
121.02867	2.6
121.10138	41.8
121.11005	2.4
122.10495	2.6
123.08070	4.7
127.03920	2.2
129.06995	6.5
131.08565	40.2
132.08983	1.9
133.10129	19.5
135.08081	5.9
135.11687	29.2
137.09613	5.5
142.07703	1.9
143.08530	12.8
144.09305	2.8
145.10130	16.7
147.04483	3.7
147.11688	18.2
149.09625	5.2
149.13245	29.0
158.10861	12.8
161.02409	2.2
163.03886	5.5
163.14816	22.8
164.15190	1.9
173.13254	43.7
174.13629	2.1
175.14769	7.8
177.94386	1.6
191.07138	2.7
191.14314	40.7
192.14615	1.9
192.29535	1.5
208.17032	2.5
215.07022	3.2
222.14830	1.6
226.45642	1.7
235.09805	1.6
259.09616	6.6
294.05310	3.1
307.05920	3.2
337.07037	6.6
355.07898	3.7
421.09265	2.4
421.14752	2.4
431.18826	3.7
439.15875	3.0
457.11160	1.8
457.16849	3.5
474.24197	8.5
475.17804	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	474.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.01856	1.3
55.05511	3.2
57.03434	1.7
61.02927	1.2
65.03929	0.8
67.05505	1.3
69.03436	7.8
69.07074	2.4
69.51257	2.9
69.51675	1.6
71.05010	1.4
73.02905	1.0
79.05481	6.3
81.03440	4.6
81.07046	2.2
83.04979	2.6
85.02898	7.3
85.06535	1.4
87.00835	2.9
89.03947	1.4
91.05477	10.4
93.07057	5.6
95.04964	3.0
95.08613	2.3
97.02893	7.5
97.06544	6.7
99.04460	2.8
105.01855	1.7
105.07032	12.9
107.04922	1.6
107.08593	46.4
108.08933	1.7
109.02882	4.7
109.06503	2.0
109.10144	2.0
115.05394	0.8
117.03370	1.3
117.07044	1.6
119.04900	4.1
119.08578	5.8
121.10146	7.9
122.07233	0.8
123.08055	2.2
127.03902	5.3
129.06978	0.8
131.08571	9.8
133.10129	100.0
134.10483	2.7
135.03481	0.8
135.04428	3.3
135.08038	6.3
135.11687	1.6
138.09192	0.9
142.06224	0.8
143.08543	2.9
145.02867	1.7
145.04961	3.2
145.10158	3.2
147.04410	18.7
147.11731	3.9
148.04736	1.4
149.13229	6.5
158.10919	3.1
159.02921	1.7
161.05984	1.7
163.03906	22.8
163.14819	1.3
164.04289	1.7
173.13261	21.1
175.07573	1.1
175.14815	9.8
178.68425	0.8
187.03893	2.1
189.09088	2.3
191.07022	5.8
191.14313	42.7
192.14613	2.2
205.08592	1.2
209.15353	2.2
215.07005	2.8
231.05067	1.3
235.11072	5.9
259.09558	5.2
261.11945	1.1
277.10620	1.7
287.10272	1.4
305.11359	3.5
315.30795	0.8
380.19763	1.1
397.14850	1.1
421.14795	1.7
426.20227	1.7
439.15948	1.1
444.21393	4.8
474.23193	7.5
475.16306	3.1
475.24994	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	474.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38311	1.6
57.06830	3.0
57.07076	24.6
58.06594	8.4
59.07367	1.7
64.78089	1.8
67.05510	2.9
68.05021	5.1
69.07079	4.9
70.02946	15.0
71.01347	12.5
71.08634	3.1
74.02454	3.0
80.98785	1.9
81.07069	3.9
88.03995	15.2
89.02400	7.0
92.76293	1.7
95.08613	4.0
96.00848	25.3
96.04488	53.2
98.02413	21.6
99.00809	15.6
100.03996	2.9
105.07005	2.1
105.77539	2.0
109.10204	1.9
114.05537	3.7
116.03473	6.7
117.78354	1.5
122.02409	13.1
126.01873	26.5
130.01364	3.1
133.10175	1.8
140.03415	67.1
142.05042	5.7
144.02917	100.0
144.10202	10.3
147.11620	1.8
158.04517	12.6
168.02930	7.5
172.02408	25.7
177.19623	2.1
182.08076	2.7
186.03900	11.9
196.09685	68.6
197.10091	1.9
200.09181	12.3
214.10777	10.2
223.11902	1.7
224.09048	3.2
228.08591	7.9
236.14935	15.5
242.10223	17.4
256.15430	5.1
270.17062	8.8
284.14920	3.7
288.44354	2.0
298.16486	88.4
299.16776	4.1
302.16049	3.8
308.52722	1.9
316.17462	4.0
358.22214	59.0
359.22699	3.9
372.23801	75.9
373.24185	5.1
418.24280	3.0
456.36700	3.4
474.30576	62.7
474.37732	16.3
475.31107	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	474.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.2
55.95131	0.7
57.03443	5.7
57.07078	8.2
58.06602	36.3
59.07383	9.3
60.08165	11.4
63.96531	0.7
67.05498	2.1
69.07072	1.8
71.08623	4.9
75.04480	3.6
81.07050	2.2
81.17907	0.9
85.02905	2.4
85.10192	2.6
87.04468	3.8
93.05497	0.9
95.08585	2.2
97.10174	0.9
100.11247	1.0
104.84665	0.7
109.10179	1.0
131.07092	1.3
131.96530	0.8
144.10201	9.5
147.04443	2.6
162.11290	1.6
206.76514	0.8
218.13890	1.1
236.14929	88.1
237.15234	3.1
263.64719	0.7
313.27301	1.3
357.23157	0.8
412.38022	1.0
456.36844	28.9
457.37030	2.5
474.37888	100.0
475.38324	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	474.379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.4
55.05497	0.6
57.03437	6.4
57.07076	4.0
58.06602	28.8
59.06920	0.4
59.07382	9.6
60.08164	9.4
60.08460	0.3
67.05498	1.6
68.71375	0.3
68.88399	0.3
69.03403	0.3
69.07044	1.2
71.08636	2.4
73.02895	0.9
75.04475	3.7
79.05482	0.4
81.07046	1.7
81.17915	0.4
83.08556	0.5
85.02896	2.2
85.10149	1.0
86.09717	0.3
87.04465	5.6
90.36804	0.3
93.05502	0.5
93.07037	0.4
95.08598	2.0
97.10161	0.7
100.11236	0.4
101.06015	0.3
102.05518	0.6
103.03925	0.8
105.05489	0.9
105.07001	0.3
109.10124	0.8
110.35885	0.3
113.05951	0.6
123.11702	0.3
130.08676	0.3
131.07051	2.4
144.09111	0.5
144.10199	8.4
162.11266	4.2
186.95522	0.3
191.91986	0.3
200.12852	0.5
208.85902	0.3
218.13889	0.9
236.14922	100.0
237.15262	2.8
412.37842	0.6
456.36841	22.8
457.37286	1.5
474.37894	58.5
475.38351	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	474.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21414	6.1
55.05491	7.8
57.03433	7.2
57.07073	63.6
58.06606	9.7
67.05486	12.6
67.71840	5.7
69.07068	7.8
71.08616	14.4
71.28209	8.9
71.28575	5.8
79.05499	15.5
81.07048	24.8
82.70089	5.6
83.08614	8.3
85.10172	13.2
91.05463	12.8
93.07057	5.3
95.04945	9.8
95.08636	17.0
101.06621	5.4
109.10110	6.4
119.08630	7.3
120.66360	6.7
121.10178	9.0
132.98447	6.1
147.11703	13.3
163.66388	5.3
174.03159	23.5
219.29807	5.6
236.14900	17.6
250.06281	100.0
251.04645	80.8
251.06778	7.6
276.08585	6.4
306.12503	51.2
307.10901	32.3
313.27377	49.4
362.18744	88.6
363.17126	88.9
418.25034	57.8
419.23459	18.1
419.57602	6.4
474.31674	10.6
474.37918	15.9
475.37762	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	475.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25015	0.7
53.03946	2.0
55.01859	1.4
55.05502	1.9
57.03431	2.0
59.05000	0.7
61.02926	1.2
65.03936	0.7
67.05512	2.3
69.03427	7.1
69.07066	2.5
69.62189	3.4
71.04994	3.1
73.02898	0.6
79.05497	2.3
81.03413	5.1
81.07054	3.9
83.04975	1.5
83.08609	1.6
85.02905	15.4
85.06561	1.1
87.00834	6.8
91.05465	3.2
93.07051	3.7
95.04972	16.7
95.08566	3.3
96.25073	0.7
97.02875	4.9
97.06534	7.3
98.22710	1.5
99.04440	4.8
99.08068	0.9
105.01880	5.6
105.07037	6.6
107.08617	5.5
109.02870	3.4
109.06509	11.2
109.10186	3.7
111.04440	1.1
111.08073	1.3
115.03920	1.0
115.07557	2.3
119.08609	4.3
121.06579	1.0
121.10125	6.1
123.08095	2.4
123.11716	1.0
125.09662	1.0
127.03929	6.7
127.07541	1.0
129.01793	0.9
131.08575	3.1
133.10117	12.2
134.10466	1.3
135.08066	2.3
135.11676	0.8
136.12184	0.7
137.05981	1.0
139.11163	1.2
145.04962	2.6
145.10184	1.2
147.11678	9.1
149.09703	0.7
149.13274	1.6
151.07529	1.0
151.11220	1.0
153.09109	6.8
158.10883	0.8
159.02911	2.0
161.06000	0.8
163.11258	1.1
163.14873	1.2
165.12785	2.0
167.14299	0.8
171.10187	3.3
173.13272	7.0
191.14302	8.6
203.05261	2.3
209.15369	21.5
210.15727	1.0
213.11209	1.8
220.85158	0.7
225.14980	0.8
227.16411	17.3
231.04938	1.2
279.80194	0.8
295.18814	8.9
313.19833	2.0
358.76123	0.7
475.25146	100.0
476.25580	6.4
503.65567	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2516
Annotation	Val Asn Asp Lys
Peak:m/z	Relative Intensity
53.03945	0.8
55.01863	0.9
55.05513	0.5
57.03446	1.1
57.07053	0.5
67.05499	1.0
69.03427	4.6
69.07063	0.9
70.15389	1.3
70.15744	0.6
71.05004	1.1
72.60734	0.4
73.02907	0.6
73.85664	0.5
75.75606	0.5
79.05493	1.2
81.03429	2.9
81.07040	2.9
83.04989	1.4
83.08620	0.8
85.02908	7.6
85.06543	0.8
87.00830	4.1
91.05479	1.7
91.48036	0.5
92.05826	0.5
93.07041	1.9
95.04971	9.5
95.08657	1.2
97.02885	2.5
97.06555	3.3
99.04470	2.5
99.08091	0.6
105.01904	2.4
105.07034	3.3
107.08598	4.5
108.08968	0.6
109.02892	2.1
109.06512	6.8
109.10165	1.9
111.08096	1.0
115.07586	1.2
119.08591	1.8
121.10133	2.7
121.57313	0.5
123.08095	0.9
125.09628	0.6
127.03935	4.1
131.08574	1.9
133.10133	10.2
134.10492	2.1
135.08066	1.7
135.11671	0.9
137.09637	0.5
139.11191	0.7
145.04961	1.2
145.10152	0.8
147.04440	1.5
147.11674	5.3
149.13329	1.1
151.07603	0.5
151.11182	1.1
153.09091	4.5
159.02979	1.1
163.04028	0.5
163.14796	0.9
164.04175	0.5
165.12793	1.1
168.56270	0.5
171.10219	0.7
173.13272	3.8
174.13622	1.2
175.14914	0.7
191.14346	5.6
192.14670	1.2
203.05298	3.4
203.07004	0.6
209.15361	12.1
210.15782	0.7
225.43843	0.4
227.16417	9.1
295.18826	8.7
313.19870	2.4
337.06882	0.6
475.25153	100.0
476.25525	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	475.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.8
51.25599	1.4
53.03940	7.1
53.69946	1.3
55.01867	15.6
55.05511	45.6
57.03432	8.8
57.07087	1.9
59.04996	3.2
65.03940	4.7
67.05502	50.4
68.05836	1.3
69.03429	6.5
69.07065	12.0
69.54617	6.3
71.04990	4.8
79.05492	53.6
81.03417	33.7
81.03867	2.7
81.07055	46.6
83.04986	12.0
83.08616	18.8
85.02914	2.6
85.06549	2.8
86.99282	1.5
88.38881	1.5
91.05476	48.6
93.07040	32.4
95.01341	1.5
95.04971	24.3
95.08604	22.1
97.02910	2.3
97.06529	5.8
97.10161	24.2
97.10759	1.7
99.08101	1.8
101.09656	1.5
103.05481	3.1
105.03377	1.4
105.04539	2.7
105.07022	33.0
105.07662	2.2
107.04957	23.0
107.08596	22.6
109.02863	9.4
109.06523	9.8
109.10151	18.5
111.04484	2.1
111.08092	6.8
115.05486	5.5
116.06207	2.0
117.07007	19.3
119.04953	7.1
119.08562	17.7
121.02848	2.9
121.06509	12.0
121.10129	10.5
123.04446	4.9
123.08083	9.5
125.02370	6.5
125.09649	14.6
128.06223	6.0
128.62550	1.4
129.07005	20.8
131.04933	8.3
131.08574	16.8
133.06480	14.1
133.10133	10.9
135.04417	4.7
135.08058	8.3
135.11705	4.6
137.05971	4.5
137.09648	3.2
141.06958	4.3
142.07782	3.7
143.04906	1.7
143.08575	9.9
145.02776	1.6
145.06476	17.7
145.10133	13.5
147.04431	6.5
147.08057	11.5
147.11732	5.7
149.05992	3.3
149.09665	6.3
153.07076	1.6
153.09163	2.5
153.12721	2.1
155.08508	11.4
155.81589	1.5
157.06494	9.8
157.10088	8.3
158.07201	1.9
159.04443	3.8
159.08070	7.3
159.11691	3.6
160.05188	6.6
161.05995	35.0
161.09610	6.0
163.07565	1.8
163.11162	16.6
165.07008	3.1
165.09131	3.2
167.08591	5.8
168.09361	1.6
169.06529	4.6
169.10136	4.5
171.08043	9.2
171.11697	1.5
173.05984	10.0
173.09644	11.7
173.11812	2.8
173.13242	2.9
175.07584	4.4
175.11200	6.3
179.08516	1.7
181.10138	4.9
181.12152	1.9
183.08058	4.5
183.11714	4.7
185.05937	3.2
185.09717	5.4
185.13268	2.9
186.09984	1.5
187.07582	6.1
187.11160	2.8
189.09164	5.7
189.11104	6.6
191.10719	4.2
193.12265	11.6
195.08104	1.8
195.11766	4.1
197.09619	4.3
197.13260	2.9
199.07579	3.3
199.11151	3.0
201.09093	2.2
201.12794	4.4
203.14308	2.6
205.12213	3.4
209.09691	2.2
209.11664	3.0
211.11192	5.9
213.12825	5.0
215.10713	2.6
215.14291	2.4
223.11270	1.8
225.09210	1.6
225.12781	4.4
227.12709	2.6
229.12291	2.7
231.13683	7.8
235.11159	3.0
237.11165	2.4
239.10570	1.9
239.12663	1.8
243.13733	7.3
253.12265	1.7
257.15390	1.9
269.15375	7.7
271.13297	8.5
273.14795	11.1
285.14767	2.2
287.16476	4.8
289.14322	17.6
297.15546	1.6
299.16470	1.6
303.15903	5.1
323.19812	1.7
327.23343	3.2
337.21640	6.3
339.19543	1.8
347.19797	3.5
355.22720	9.3
365.21082	25.7
366.21713	2.4
373.23975	1.8
383.22147	100.0
384.22470	8.0
393.24146	2.7
401.23199	44.0
402.23676	2.7
403.22696	4.4
419.24200	5.2
421.23599	4.3
431.24191	10.4
439.24707	13.6
440.25531	1.9
442.23077	1.7
457.25824	64.7
458.26236	5.7
475.26926	96.3
476.27576	7.1
496.95264	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	1.2
51.02374	1.5
53.03937	8.8
55.01872	15.3
55.05511	35.6
57.03436	7.8
57.07082	1.5
59.04990	2.8
60.55058	0.8
65.03931	5.1
67.05503	55.2
68.05822	1.1
69.03416	3.9
69.07063	14.1
69.62659	4.6
71.01347	1.5
71.04990	12.7
79.05491	76.2
80.05841	2.0
81.03414	37.0
81.07053	59.1
82.07372	0.9
83.01330	7.2
83.03605	0.8
83.04979	35.2
83.08615	15.6
85.02895	3.8
85.06533	3.6
91.05478	100.0
92.05811	2.6
93.07042	59.5
95.04965	23.9
95.08601	23.3
97.02893	4.7
97.06519	9.1
97.10147	4.2
99.04461	3.1
99.08088	3.2
103.05458	3.2
105.04536	2.6
105.07027	49.8
106.07355	1.5
107.04951	29.7
107.08588	18.6
109.06511	10.7
109.10168	5.3
111.04434	4.1
111.08087	3.4
113.05997	1.3
115.05453	3.9
117.07018	17.9
118.00748	0.9
119.04947	1.7
119.08579	35.5
121.06491	6.0
121.10140	12.4
123.08060	10.4
123.11755	1.0
125.05976	2.3
125.09633	3.0
127.07540	2.3
128.06213	2.8
129.06998	20.0
130.07764	2.4
131.04932	1.1
131.08574	22.6
133.06511	3.3
133.10123	32.9
134.10431	1.0
135.04411	1.5
135.08043	3.7
135.11688	14.6
137.09634	2.2
137.13159	0.8
139.07587	1.1
139.11147	1.8
141.06996	1.9
142.07794	3.5
143.08578	4.6
145.06500	3.1
145.10114	21.5
147.08034	6.2
147.11687	15.7
149.09604	8.8
151.07561	1.2
153.12753	5.6
155.08539	3.6
157.06519	1.1
157.10135	17.4
159.08052	1.6
159.11731	1.1
161.05957	1.4
161.13455	0.9
163.09799	1.8
163.11179	34.9
165.12756	1.8
167.10724	1.4
171.08124	1.0
171.11705	3.8
173.09593	5.9
175.11176	13.3
181.12230	7.0
183.08240	0.9
189.09045	1.0
191.10623	5.7
193.12238	23.4
197.13274	1.0
203.10745	2.5
209.11668	7.8
211.11369	1.1
211.13130	4.3
217.12325	1.2
227.12755	9.2
231.13736	1.1
243.13876	1.8
244.13832	0.8
245.11603	1.7
259.13138	1.2
264.02039	0.8
265.14459	4.1
267.15900	5.6
283.15387	5.5
306.51788	0.8
337.21738	1.3
365.21115	2.8
383.22214	3.1
401.23141	2.0
415.18805	1.1
424.55902	0.9
426.64301	0.9
457.25778	7.4
475.26880	53.3
476.27280	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	475.269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	2.0
53.03948	8.1
55.01633	1.4
55.01873	14.1
55.05247	1.9
55.05511	35.3
56.54915	1.0
57.03442	7.8
57.07069	2.3
57.20013	0.9
59.04990	3.8
61.20670	0.9
64.05371	0.9
65.03940	6.6
67.05505	60.7
69.03410	3.5
69.07065	15.6
71.01344	2.0
71.04987	10.1
71.29740	1.0
77.03895	1.6
79.05492	81.6
80.05815	1.5
81.01725	0.9
81.03418	32.8
81.07057	68.2
83.01347	7.5
83.04983	39.0
83.08619	15.7
85.02884	4.5
85.06532	3.9
91.05480	100.0
92.05804	2.6
93.07044	62.8
94.07382	1.5
95.04375	1.2
95.04971	24.2
95.08608	23.3
97.02866	4.0
97.06538	11.1
97.10146	3.5
99.04439	3.0
99.08073	3.7
103.05476	2.5
105.04487	2.8
105.07030	58.7
106.07348	1.4
107.04955	31.5
107.08600	20.5
109.06514	12.4
109.10161	5.4
111.04408	3.8
111.08066	2.9
113.05956	1.5
115.05454	3.2
117.07022	15.3
119.08576	31.4
121.06506	6.6
121.09454	1.1
121.10146	13.9
123.08058	11.3
123.31914	1.0
125.05952	1.8
125.09612	3.4
127.07533	2.5
128.06204	3.8
129.07011	18.5
130.07759	2.1
131.04979	1.0
131.08566	22.4
133.06450	2.5
133.10129	39.4
135.08018	4.1
135.11691	14.7
137.09607	1.6
139.07532	1.0
139.11172	2.3
141.06969	1.4
142.07742	4.2
143.08522	3.0
145.06470	2.4
145.10127	22.7
147.08057	7.6
147.11676	18.1
149.09605	5.8
153.12784	5.6
155.08519	3.9
157.10114	18.1
159.08015	2.0
159.11728	1.0
161.09550	1.4
161.13278	1.1
163.11180	31.3
164.11482	1.4
165.12721	2.4
171.11652	2.1
173.09598	4.1
175.11182	16.0
181.12233	4.7
191.10646	4.9
193.10545	1.8
193.12236	21.4
201.20479	1.0
209.11707	6.6
211.13222	3.7
219.17445	1.0
227.12759	7.2
265.14340	1.4
267.15826	3.3
275.20160	1.5
283.15375	5.0
365.21298	1.2
383.22327	1.2
401.23532	1.2
419.87875	1.0
431.24109	1.2
457.25690	4.3
475.26697	47.7
476.26968	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	475.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	0.1
51.02388	0.2
52.52877	0.1
53.84875	0.1
55.01873	0.2
55.05514	2.1
57.03440	1.2
57.07078	0.7
58.06597	0.5
59.06931	0.1
59.07377	0.2
60.08183	0.1
62.42519	0.1
62.79546	0.1
64.63371	0.1
65.03925	0.9
67.05496	1.0
68.99405	1.0
69.07072	1.7
71.08632	0.2
75.04509	0.1
79.05488	0.6
81.07058	1.4
83.05003	0.1
83.08607	1.2
85.10188	0.1
85.35086	0.1
87.04491	0.2
90.20437	0.1
91.05481	8.6
92.05811	0.2
93.07059	0.7
95.00211	0.1
95.04978	0.1
95.08607	1.0
97.06526	0.4
97.10169	0.4
98.12252	0.1
99.08070	0.1
103.47649	0.1
103.52732	0.1
105.07020	0.2
107.08595	0.4
109.10159	0.3
111.08074	0.1
119.04944	20.0
120.05246	0.5
121.10136	0.5
121.24973	0.1
135.11697	0.3
144.10143	0.2
147.04407	100.0
148.04738	2.8
149.13213	0.2
165.05475	2.8
165.06847	0.2
195.00168	0.1
219.21033	0.1
221.08136	0.2
236.14934	1.3
237.15250	0.8
237.22110	0.2
239.22221	0.1
311.25729	0.2
361.12973	0.1
457.37051	0.5
457.81647	0.1
475.30316	2.2
475.37924	1.0
476.30579	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.1
55.01868	0.1
55.05512	1.8
57.03437	1.1
57.07085	0.5
58.06582	0.1
62.95426	0.1
65.03938	1.2
65.80722	0.1
67.05506	1.3
69.07073	1.9
71.08619	0.3
72.74889	0.1
75.04498	0.1
79.05492	0.6
81.07059	1.4
83.04984	0.1
83.08612	1.1
88.34632	0.1
91.05481	8.9
92.05802	0.2
93.07054	0.8
95.05025	0.2
95.08606	0.9
97.06525	0.4
97.10143	0.6
105.07088	0.1
107.04969	0.1
107.08590	0.5
109.10155	0.4
111.08098	0.2
111.11738	0.1
119.04945	21.0
120.05256	0.5
121.10188	0.6
121.10916	0.1
123.04403	0.2
123.11695	0.2
135.11707	0.4
147.04408	100.0
148.04744	2.4
149.13271	0.2
165.05487	1.9
185.05943	0.2
219.21080	0.2
221.08102	0.2
236.14914	0.4
237.15175	0.2
237.22066	0.2
245.26700	0.1
311.25714	0.2
442.09927	0.1
475.30563	2.2
475.37857	0.3
476.30783	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.9
57.03436	14.4
59.04987	2.7
60.04522	2.5
61.02911	1.3
65.03947	1.4
69.03430	48.0
71.13658	1.4
73.02915	2.2
81.03426	1.9
83.04971	1.1
85.02909	33.4
87.04467	28.8
91.05485	7.3
97.02894	40.0
98.03168	1.2
99.04465	1.1
115.03929	43.3
119.04962	15.7
119.13934	0.9
123.04402	1.9
127.03903	3.0
133.04964	46.5
133.06522	2.5
143.04979	1.2
145.04968	3.2
147.04408	100.0
148.04791	5.2
150.07626	13.0
161.05968	1.4
165.05484	47.6
171.04375	2.6
180.08673	2.6
189.05524	7.0
201.05669	1.4
207.06528	8.7
219.02690	1.1
243.06474	1.8
259.07990	1.1
261.07635	1.3
279.08652	4.2
396.63541	1.2
459.17947	1.3
476.18243	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	476.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37148	0.6
57.03440	0.8
65.03929	0.9
66.91034	0.4
69.03440	4.8
70.32432	1.2
71.04987	0.7
75.09056	0.6
81.03413	2.2
85.02908	2.4
87.04472	1.0
91.05479	4.9
95.04961	1.3
97.02888	5.7
99.04449	1.3
102.88905	0.6
107.04902	0.6
109.02860	0.8
115.03941	3.2
119.04945	13.9
123.04426	7.4
127.03928	2.2
133.04930	1.0
135.04489	0.6
147.04404	100.0
148.04716	4.2
149.04959	1.0
163.03908	1.6
165.05476	6.3
185.59100	0.5
249.15782	1.4
250.16211	0.6
261.71747	0.6
267.08624	2.0
269.59570	0.7
291.08505	1.4
309.09625	13.9
310.09976	1.0
325.08951	0.9
397.78290	0.5
423.12653	0.7
476.18420	0.8
477.19525	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	2.1
57.07069	1.5
67.05511	6.1
68.67110	1.1
69.07062	4.6
69.31771	2.4
69.32169	6.7
79.05498	2.6
81.07072	5.5
83.08610	2.2
91.05478	6.0
93.07035	3.1
95.08608	16.9
98.22617	1.9
103.05441	1.3
105.07050	8.1
107.08586	4.9
109.10149	20.8
119.08578	40.3
121.10126	2.1
133.10127	45.6
134.10507	1.9
135.11703	7.1
137.09621	8.9
142.09525	1.3
145.10104	2.1
147.11684	13.8
149.13271	2.0
151.14813	4.3
160.12476	2.2
175.14824	100.0
176.15211	4.3
186.26434	1.3
193.15872	22.7
205.84506	1.2
236.14812	2.1
307.93417	1.1
316.75769	1.2
360.81174	1.1
476.28226	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.9
55.05510	7.9
57.03432	3.7
67.05495	2.9
69.03429	10.4
69.07066	12.9
70.47603	4.9
79.05494	5.1
81.03408	6.2
81.07047	11.3
83.08618	2.8
85.02917	18.0
86.06047	13.3
87.00847	4.1
91.05467	13.9
93.07065	4.6
95.08595	9.9
97.02896	8.0
99.04482	4.2
102.37762	2.5
105.01853	7.8
105.07044	19.7
107.08587	11.0
109.02889	3.1
116.10745	4.2
117.07018	5.0
119.07782	5.4
119.08585	77.7
120.08855	3.3
121.10136	4.0
123.11691	5.0
127.03936	12.6
128.45474	3.3
133.10117	32.9
135.11696	5.4
145.10117	4.3
147.04465	2.6
147.11716	7.1
165.09087	3.7
165.66818	2.7
175.14818	100.0
176.15222	4.3
189.06532	4.1
198.11237	12.5
216.12302	4.4
228.48505	3.2
231.11346	3.4
281.09015	2.8
458.24274	3.4
476.14215	5.5
476.26270	4.0
476.33102	5.0
477.10825	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	476.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.5
56.05218	0.9
57.07086	1.5
59.47794	0.9
62.29353	0.8
62.53339	0.9
67.05500	1.6
68.96622	10.5
69.07069	1.5
70.15870	1.1
70.91791	1.0
73.73190	1.1
79.05495	15.0
81.07071	2.0
91.05483	29.0
91.06018	2.2
93.07063	1.9
94.71310	0.9
95.04980	2.1
95.08600	2.0
99.61373	1.1
103.05480	6.8
105.07037	66.1
106.07384	1.8
107.08602	4.8
129.41344	1.0
133.05455	1.4
133.06493	44.7
135.08058	100.0
136.08401	3.1
145.10507	1.3
151.07547	12.6
181.10146	1.6
198.12810	27.4
199.13016	1.1
199.32042	1.1
257.00418	1.3
279.17786	38.3
280.18121	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03410	1.0
73.06549	1.6
74.06944	0.6
79.05518	0.6
83.45074	0.5
85.02917	2.0
87.04464	7.2
89.06033	100.0
90.06359	1.1
91.05469	0.9
93.07066	0.8
97.02882	0.8
97.06564	0.8
103.74732	0.5
105.07012	0.7
107.07069	1.3
117.09110	1.0
119.08539	0.7
131.07060	2.2
133.08603	62.5
134.08994	1.5
153.09151	0.7
164.17558	0.6
168.85956	0.5
175.09717	1.0
177.11221	24.3
178.11604	0.8
191.14354	0.9
200.12793	3.0
215.10733	0.7
217.43466	0.5
221.13853	4.0
227.16405	1.5
228.16750	1.3
239.14963	0.8
265.16553	0.8
283.17609	2.4
314.19620	1.8
327.20203	1.0
371.22842	1.1
415.25449	2.4
433.20688	0.9
459.27948	8.1
460.28415	0.7
476.18933	0.9
476.25412	2.5
477.13681	1.6
477.19736	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95564	0.5
53.03917	0.7
53.88405	0.5
56.96567	19.5
56.96852	1.0
56.98788	0.5
68.43374	0.5
68.96553	0.9
69.03429	1.2
71.95238	0.8
74.97631	0.8
81.36470	0.5
84.04501	2.2
84.96034	2.7
85.02905	1.8
85.04834	0.7
85.06602	0.5
95.08746	0.5
96.04508	0.8
97.02866	1.5
97.96847	0.6
98.06067	0.7
98.97582	100.0
99.04419	0.7
99.97913	1.0
110.97559	5.4
112.99134	1.3
116.07140	0.5
116.98621	42.7
119.04993	0.8
120.44507	0.6
120.87032	0.5
126.05507	2.2
128.98605	6.2
131.00140	1.4
134.99655	10.4
138.05490	3.7
139.00677	0.6
139.05826	1.2
140.00198	0.9
140.98579	0.6
141.02231	2.0
143.00163	2.0
144.06528	1.4
144.98019	0.6
145.31410	0.5
146.99641	2.4
147.03319	0.7
147.04376	1.4
148.06053	1.3
151.00687	0.6
152.98610	0.8
153.00682	1.1
154.93295	0.9
157.01738	2.1
158.99654	53.8
159.03273	6.9
159.99988	0.8
161.01257	1.9
161.02945	1.0
168.06491	0.6
169.01740	1.7
170.08078	1.6
170.99649	2.5
171.03371	0.7
172.94328	1.1
173.01266	0.8
175.02719	2.7
177.00711	51.9
177.04120	3.9
178.01086	0.9
183.03310	1.3
185.01233	1.7
187.02786	5.6
189.00713	2.7
189.04338	0.6
190.95477	0.7
190.98753	0.5
193.03835	0.6
195.00079	0.9
195.01675	3.8
200.02304	1.4
201.00723	1.1
201.04369	5.0
203.02271	1.4
205.03934	2.5
206.04822	0.6
211.02780	0.6
213.00731	2.8
213.04337	0.7
214.95328	1.3
217.03864	0.9
219.01762	41.1
219.05356	1.6
220.02083	0.8
225.04373	0.9
229.03902	2.3
231.01735	6.4
232.96420	2.7
237.02805	19.3
238.03485	0.7
243.05408	4.7
247.04906	0.9
248.93781	1.1
249.02840	3.2
250.97519	0.8
251.92455	0.8
255.01521	0.8
255.03841	1.1
256.96628	0.7
260.04385	0.6
272.93600	0.8
272.99826	1.4
273.02847	6.6
273.05847	0.9
285.06561	0.7
290.94730	1.1
291.00885	0.8
291.04141	1.1
296.99692	0.7
303.07474	26.6
304.07864	0.8
315.00555	2.1
315.03824	1.4
317.58200	0.6
321.08548	30.8
322.08945	0.8
331.38324	0.6
339.09598	1.3
344.10217	0.7
345.58365	1.6
357.01761	1.0
377.07639	4.6
403.13016	0.9
415.12823	3.2
417.03714	3.1
419.05469	0.6
433.13821	6.9
435.04504	2.4
441.10660	0.9
459.11755	18.0
460.12057	1.4
477.12833	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	477.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.1
55.01875	14.9
55.05512	35.9
57.03437	11.3
57.07070	3.9
59.04998	2.7
61.73926	1.3
65.03944	4.4
67.05507	83.0
68.05835	2.1
69.03431	2.6
69.07068	23.8
71.01366	2.3
71.04992	5.8
71.08633	1.7
71.29366	2.0
79.05496	65.3
81.03416	18.5
81.07057	100.0
82.07384	3.1
83.01335	8.8
83.04981	19.8
83.08626	23.8
85.02905	4.0
85.06536	6.0
91.05482	54.7
93.07046	96.3
94.07406	2.0
95.04967	17.0
95.08610	28.7
97.02894	2.9
97.06537	15.9
97.10172	5.2
99.04491	1.6
99.08105	4.9
105.04536	2.9
105.07035	25.9
107.04958	11.1
107.08597	46.7
109.02964	1.5
109.06523	10.0
109.10168	12.2
111.04450	2.9
111.08097	10.5
115.05453	2.8
117.07031	19.5
118.76891	1.3
119.08575	19.0
121.06522	5.3
121.10151	22.3
123.08059	9.1
123.11720	2.5
125.06017	4.1
125.09653	5.0
129.07037	5.9
130.07829	3.2
131.08565	18.1
132.08923	1.7
133.10135	21.5
135.08099	6.2
135.11697	25.2
137.09651	4.3
143.08621	2.6
145.10126	20.8
147.08086	2.7
147.11723	6.5
149.09657	2.7
149.13257	31.9
149.14346	2.6
151.11176	1.8
152.47313	1.3
153.12735	4.8
155.08575	3.5
157.10179	2.4
159.11694	16.1
161.09595	1.7
163.11185	35.2
171.11749	2.1
173.09666	5.1
175.11180	1.6
177.12772	4.3
181.12245	6.9
191.10725	4.2
195.13800	15.7
201.11310	2.4
203.18094	1.5
209.11681	9.0
209.30780	1.4
213.16464	2.0
227.12849	6.7
229.14363	3.3
231.17482	5.9
238.13503	1.9
277.08493	1.5
385.23663	3.0
459.27039	1.6
477.28491	65.5
478.29007	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	477.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.4
55.01877	12.8
55.05514	35.5
57.03439	10.8
57.07071	3.3
58.66636	1.0
59.05000	3.7
62.58184	0.9
65.03928	5.0
67.05505	74.1
68.05853	1.5
69.07072	23.7
71.01350	1.7
71.04665	1.0
71.04986	7.3
71.29483	1.1
77.65361	1.0
79.05494	67.3
80.05817	1.5
81.03419	16.4
81.07057	100.0
82.07399	3.2
83.01334	10.3
83.04985	19.5
83.08621	25.1
85.02910	3.6
85.06539	3.4
91.05482	49.0
92.05831	1.3
93.07045	80.2
94.07383	2.5
95.04975	16.9
95.08607	25.7
97.02903	1.7
97.06545	14.4
97.10174	3.4
99.04454	3.5
99.08082	3.2
101.85877	1.1
103.05452	1.7
105.04516	3.1
105.07034	20.4
107.04964	9.3
107.08599	42.6
108.08967	1.1
109.06518	9.8
109.10159	6.4
111.04465	3.5
111.08069	8.7
113.09612	1.7
115.05438	1.9
117.07032	17.2
119.04925	4.5
119.08578	12.8
121.06512	6.1
121.10140	25.3
122.10408	1.1
123.08067	12.2
123.11716	4.0
124.12276	1.0
125.09641	3.2
127.07613	1.4
129.07025	4.7
130.07816	3.4
131.08568	13.2
132.61374	1.3
133.10138	14.4
135.08073	4.8
135.11691	22.1
137.09616	1.4
139.07603	1.6
142.89172	1.2
143.08528	2.4
145.06511	1.3
145.10112	16.0
147.04413	15.6
147.08066	2.5
147.11687	4.3
149.09599	3.0
149.13252	25.7
151.11208	1.7
153.09079	1.1
153.12827	3.2
155.08533	2.0
157.10168	1.9
157.53998	1.2
159.11652	12.2
163.11188	28.7
173.09660	4.1
177.12798	7.0
181.12184	5.2
185.13350	1.3
189.11221	1.3
191.10689	2.9
195.13815	11.3
201.11263	2.6
201.69965	1.1
208.67494	1.0
209.11722	9.9
209.13385	1.3
213.14767	1.9
227.12909	5.4
233.15439	1.1
259.20627	2.3
347.73352	1.4
353.59735	1.2
367.22375	1.6
385.23386	2.1
459.27133	1.8
463.88940	1.1
477.28482	52.0
478.28879	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	477.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	13.3
55.01873	23.2
55.05512	87.0
57.03424	10.5
58.46671	3.0
65.03948	3.6
67.05505	100.0
67.62555	3.2
69.01048	20.2
69.01472	10.1
69.03427	5.0
69.07072	28.7
71.05000	6.7
78.44952	2.8
79.05496	83.3
81.03423	17.1
81.07057	98.6
83.01362	3.5
83.04980	16.8
83.08618	45.8
85.05302	3.1
85.06545	5.3
91.05482	82.0
93.07047	70.8
94.07353	3.8
95.04957	23.1
95.08613	29.7
97.02879	3.6
97.06560	17.8
97.10183	49.2
98.22538	5.6
103.05475	9.7
105.07029	49.4
107.04964	18.3
107.08595	51.7
109.06513	13.5
109.10158	20.3
111.04459	5.0
111.08067	10.0
111.49307	3.1
115.05446	5.9
117.07014	58.6
118.07373	3.2
119.08591	30.0
121.06519	13.3
121.10136	21.2
123.08056	9.4
125.09624	54.2
128.06224	4.3
129.07011	30.8
130.07780	3.4
131.08574	34.5
133.06499	10.7
133.10109	18.6
135.08058	13.4
135.11668	12.1
141.06973	9.0
143.08557	14.7
143.10719	3.4
145.06523	14.5
145.10106	29.6
147.08017	10.8
147.11710	5.9
149.09624	11.1
149.13248	15.2
153.09103	10.7
153.12758	6.6
155.08546	12.5
157.06514	7.2
157.10176	9.1
158.10559	3.1
159.08089	9.0
159.11746	11.9
161.09633	5.0
163.11194	21.7
167.08559	3.7
169.10165	9.4
171.08035	7.7
171.11696	9.6
173.09578	10.1
175.11165	4.7
177.12723	5.1
179.08473	4.2
181.12283	5.5
183.11638	5.7
185.13181	3.9
187.14833	11.7
189.11249	37.1
191.10561	3.2
193.12277	4.1
195.11870	5.1
195.13776	6.0
197.13295	15.7
199.11223	5.6
209.09863	3.0
209.11761	7.9
211.14903	3.6
213.12601	4.1
215.14281	34.4
223.11246	4.3
227.12714	22.3
231.13870	4.6
233.15361	12.9
269.15256	4.0
271.17084	3.8
339.23169	10.9
349.21417	15.7
357.24103	5.6
367.22656	34.5
385.23669	29.5
403.24896	16.5
441.26282	11.7
459.27335	65.5
460.27914	3.8
477.29111	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	477.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.1
51.10428	0.4
55.01602	0.6
55.01873	14.8
55.05510	34.8
57.03439	9.1
57.07076	3.7
59.05006	4.0
65.03942	3.8
67.05504	81.0
67.86077	0.5
68.05826	1.0
69.03423	1.8
69.07067	26.9
71.01353	2.7
71.04994	8.9
71.08624	0.8
73.02926	1.2
73.06539	1.1
77.03933	1.7
78.99469	0.4
79.05492	71.4
80.05837	1.2
80.72155	0.5
81.02929	0.8
81.03417	18.0
81.07054	100.0
82.07394	1.6
83.01338	10.4
83.04982	26.0
83.08617	23.1
85.02901	4.2
85.06547	4.8
91.05479	49.2
92.05818	0.8
93.07040	89.2
94.07372	1.5
95.04966	18.1
95.08604	31.1
97.02892	3.0
97.06527	18.0
97.10161	4.5
99.04444	3.4
99.08095	2.2
103.05466	1.5
105.04536	3.6
105.07027	26.5
106.07372	0.6
107.04960	11.1
107.08590	44.2
108.08936	1.2
109.02928	0.5
109.06515	12.0
109.10159	7.2
111.04423	4.1
111.07333	0.9
111.08070	8.6
111.11730	1.2
112.63152	0.4
113.05989	1.2
113.09658	1.2
115.05473	2.8
117.07011	22.5
118.07371	0.5
119.06105	0.8
119.08573	15.1
121.06507	6.6
121.10138	28.6
122.10480	1.1
123.08065	10.0
123.11727	2.8
125.05992	3.5
125.09635	3.1
128.06169	0.7
129.07010	3.6
130.07820	2.5
131.04924	0.9
131.08569	17.8
133.06552	0.5
133.10130	14.0
135.08044	6.2
135.11688	22.3
137.09599	2.6
139.07550	1.2
139.11185	1.9
143.07014	2.9
143.08601	1.9
145.06470	1.5
145.10114	21.8
146.10463	0.8
147.08029	3.3
147.11664	2.4
149.05936	0.8
149.09602	2.9
149.13255	28.6
151.11180	2.2
153.09158	1.1
153.12733	4.3
155.08562	2.3
157.10126	1.1
159.11691	14.8
160.12029	0.7
163.11177	34.2
164.11539	1.0
165.00392	0.5
165.09045	0.8
165.12714	0.7
167.14323	1.2
171.08063	0.5
171.11697	0.9
173.09627	4.6
173.13171	0.8
177.12744	5.9
181.12228	5.8
183.53381	0.5
189.11264	0.7
191.10689	4.0
195.13808	14.3
199.09529	0.6
209.11702	10.6
213.14847	1.7
215.14417	0.7
227.12753	5.3
233.15285	1.1
251.16489	0.7
261.21991	0.7
269.17575	0.8
283.15329	1.2
367.22345	0.7
385.23654	1.5
403.24982	1.0
459.27426	1.1
477.28400	63.1
478.28668	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	477.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45960	1.9
55.05514	15.1
57.07082	32.3
67.05512	10.3
69.07069	24.7
71.04981	2.6
71.08640	24.4
71.18127	1.4
79.05503	8.3
81.07059	20.9
82.76472	1.4
83.01407	1.9
83.04961	2.2
83.08619	14.9
85.10184	10.0
86.06106	1.7
91.05460	5.1
93.07037	9.5
95.04960	1.9
95.08606	16.3
97.06525	3.9
97.10181	6.7
99.04469	5.0
105.07028	7.1
107.04970	3.1
107.08599	5.4
109.06528	10.3
109.10144	5.6
111.11725	3.2
115.37110	1.8
119.08578	5.9
121.06524	2.0
121.10145	5.5
123.08071	9.9
123.11701	1.6
124.10239	1.7
125.05978	15.6
125.09655	1.7
125.13332	2.0
125.40870	1.5
127.07564	30.5
133.10143	3.2
135.08055	1.9
135.11638	1.8
137.05978	3.2
137.09610	2.5
139.07544	100.0
145.10170	1.7
147.11674	2.4
149.05971	6.3
149.09521	2.2
149.13272	2.1
151.07559	7.9
151.11223	2.0
153.09094	2.7
161.13237	2.4
165.09035	2.3
167.07069	3.0
175.14766	2.1
177.09135	13.5
319.30051	7.7
344.28275	1.7
347.33194	12.6
373.30923	4.5
399.36105	2.1
417.37357	10.4
445.36755	25.0
477.39407	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.4
55.01863	11.5
55.05504	22.1
57.03440	11.8
59.04988	3.9
67.05504	35.8
68.05824	4.3
69.03431	49.8
69.07060	11.1
71.04982	11.3
71.29263	4.2
73.02918	3.3
78.82438	2.9
79.05495	33.4
80.05816	6.9
81.03421	45.6
81.03875	4.9
81.07053	28.8
82.07393	7.7
83.01337	4.8
83.04966	10.7
83.08616	7.5
85.02906	63.7
87.00839	38.7
87.04480	5.1
91.05489	36.6
92.05795	8.4
93.07061	26.4
94.07367	4.2
95.04972	13.1
95.08606	11.4
96.04484	3.5
96.05329	2.4
97.02890	85.1
97.03516	5.4
97.06525	9.2
97.10170	7.4
99.04465	29.6
101.02375	3.0
105.01868	25.1
105.07026	23.1
106.07352	4.1
107.04950	9.9
107.08587	18.0
108.08916	5.2
109.02866	15.7
109.06523	4.0
109.10149	11.5
111.04420	4.3
111.08092	4.1
115.05479	2.4
117.07043	12.1
118.07332	3.8
119.08594	10.3
121.06511	5.4
121.10102	4.8
122.10419	2.8
123.08073	3.4
125.01542	11.1
125.09655	6.0
127.03915	100.0
129.07007	2.9
131.08577	9.3
132.08904	4.6
133.06474	3.0
133.10158	15.3
134.10483	4.3
135.08044	3.9
135.11626	4.2
137.09619	2.7
143.08551	3.6
145.03902	2.1
145.04950	56.5
145.10121	7.0
147.08005	3.8
147.11684	3.4
149.09625	4.2
149.13258	3.7
151.11165	5.8
159.02899	3.9
159.07983	2.9
159.11716	3.5
161.09627	4.3
163.11165	6.9
164.11598	2.8
167.06227	5.3
173.09660	2.5
189.11186	4.4
193.12303	4.0
195.11693	5.4
215.07253	3.1
231.05020	49.2
248.07635	3.5
249.06075	10.7
254.14729	2.8
259.09674	4.4
266.08612	5.5
333.96463	2.7
350.22177	3.3
357.23856	2.7
367.22647	5.4
368.23077	3.5
385.23517	9.0
386.23981	8.5
391.78824	2.5
403.24432	3.6
459.26947	3.5
460.27600	9.4
477.28299	5.0
478.29092	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	478.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09214	2.9
57.03439	27.0
59.04981	4.0
61.02924	4.6
68.37357	2.7
69.03087	6.0
69.03428	80.3
69.09685	23.9
73.02925	6.1
75.04483	4.7
81.03399	7.6
81.07049	4.2
85.02899	67.2
87.04466	53.2
91.05476	5.1
97.02279	5.5
97.02886	71.0
99.04454	4.7
107.04968	15.1
115.03249	2.1
115.03927	89.5
127.03902	7.6
131.04938	12.1
133.04956	100.0
135.04375	2.7
145.04976	12.6
145.06578	3.8
147.04385	13.6
148.04697	3.9
149.05986	11.1
150.07578	19.1
163.03896	4.9
163.06010	3.3
164.30571	3.3
167.05612	5.4
167.07040	98.4
172.07596	6.4
173.05952	16.0
191.07030	12.9
203.07033	6.0
212.07091	4.3
214.08633	5.6
238.08594	4.4
240.06511	6.2
245.08081	7.5
442.15097	6.7
460.15936	12.3
478.18484	11.6
479.16617	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	478.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06785	2.9
56.02160	2.8
57.03440	3.5
60.01271	2.8
68.39737	2.7
69.03421	15.6
70.27000	9.5
71.33097	3.0
81.03412	5.0
83.04995	3.1
85.02933	7.4
91.05478	3.6
94.04187	2.8
97.02887	11.5
99.04433	3.8
107.04962	3.7
115.03924	4.5
119.04961	12.3
123.04438	12.9
124.07549	3.0
124.49767	3.0
133.04979	7.4
147.04416	100.0
148.04729	7.3
165.05524	10.1
244.04488	3.0
267.08783	4.0
292.37164	3.3
309.09622	24.2
386.47839	3.7
434.17365	3.7
460.18903	3.5
478.19623	62.4
479.11435	10.4
479.21494	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	479.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01866	0.5
55.05522	1.0
57.03435	0.5
63.18990	0.4
67.05499	0.7
69.03429	1.9
69.07063	1.0
69.07849	1.7
69.08272	2.7
70.08022	0.4
78.96545	0.5
79.05489	1.6
81.03432	2.1
81.07066	1.4
83.04976	0.8
83.57383	0.5
85.02910	1.3
85.06496	0.5
91.05483	1.9
93.07082	1.7
95.04967	1.1
95.08623	1.8
97.02897	3.7
97.06545	1.5
105.07032	1.7
107.04949	0.9
107.08627	1.3
109.02890	1.0
109.06514	0.5
109.10167	0.8
110.26079	0.4
117.06999	0.5
118.87725	0.5
119.08604	1.8
121.06506	1.2
121.10159	1.4
123.08086	1.0
127.03918	1.7
131.08582	0.7
133.10132	1.0
135.08063	1.4
137.05977	0.6
143.08659	0.6
145.10217	0.6
147.04440	0.9
147.08032	0.8
147.11719	1.8
151.07573	1.0
159.07970	0.7
161.09612	0.9
161.13213	0.7
173.09673	0.5
173.13274	0.5
177.05603	0.6
185.04149	0.5
189.12895	0.7
197.15469	0.7
203.05260	0.6
207.13826	0.8
210.69009	0.5
213.12793	0.9
227.05344	0.6
228.76062	0.6
231.13666	3.8
243.04860	1.4
245.06291	4.8
249.14975	0.9
255.68503	0.5
259.09741	0.9
260.24249	0.6
268.25616	0.4
271.04343	0.6
287.03751	1.3
289.05249	7.9
289.08121	0.7
325.13675	0.5
393.18820	8.9
394.19290	0.8
417.18542	2.4
435.19897	39.4
436.20322	3.1
439.66696	0.5
461.14441	1.6
479.18988	100.0
480.19321	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	479.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.4
55.01871	14.5
55.05511	27.5
57.03445	7.1
57.07082	1.3
59.04985	3.8
65.03927	3.1
66.09412	1.2
67.05505	70.9
69.03418	4.1
69.07069	18.2
69.61306	2.7
69.61697	3.7
71.01340	1.9
71.05000	11.8
73.06554	2.0
79.05490	44.4
80.05834	1.9
81.03413	14.3
81.07055	68.5
82.07371	2.5
83.01342	8.5
83.04977	21.6
83.08622	10.6
85.02908	4.5
85.06544	6.9
85.13051	1.3
91.05482	59.9
93.06472	2.8
93.07042	43.7
94.07354	1.5
95.04966	14.1
95.08594	16.1
97.02876	3.5
97.06516	8.3
97.10166	2.9
97.39861	1.4
99.04469	7.3
99.08081	1.7
103.05530	1.5
105.04552	1.6
105.07030	57.4
106.07357	1.4
107.04948	12.0
107.08591	55.4
109.06533	13.4
109.10152	80.3
110.10484	1.8
111.04462	4.0
111.08109	3.1
113.05995	4.3
115.05469	2.4
115.07590	1.3
117.07027	9.6
119.08586	11.9
121.06488	5.9
121.10127	8.7
123.08047	8.4
123.11702	10.0
125.06001	1.4
125.09605	2.8
127.07564	4.8
128.06226	2.2
129.07011	2.4
130.07774	2.1
131.08554	7.2
133.06476	1.8
133.10126	100.0
134.10492	1.4
135.08057	3.3
135.11658	11.3
137.09642	2.9
143.08546	2.6
145.06479	1.9
145.10124	14.8
147.08055	3.3
147.11700	2.1
149.13258	1.8
151.11174	68.5
152.11555	2.2
153.12764	4.1
155.08548	1.6
161.09662	3.3
163.11185	28.1
169.12257	14.4
173.09618	5.1
179.10706	4.8
181.12242	3.4
191.10652	3.6
209.11769	4.7
215.12787	5.8
227.12794	3.8
253.14336	49.4
254.14659	3.7
256.31671	1.3
283.15329	3.1
310.74957	1.4
479.26385	49.2
480.26767	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	479.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	7.9
57.07082	74.7
67.05511	12.0
68.97460	36.7
68.97885	34.2
69.07055	12.6
71.04977	12.7
71.08636	60.8
81.07063	12.2
85.10184	33.5
89.06064	36.2
93.07040	13.4
93.37731	7.3
95.08601	21.6
109.10125	7.9
110.29183	6.9
110.76771	6.5
111.04447	6.4
116.14890	7.2
119.08542	8.8
125.05978	45.1
131.08524	7.1
145.10190	9.7
151.07516	28.5
153.05463	100.0
165.09134	17.6
177.09100	20.3
179.10684	11.8
251.16534	8.2
281.10291	7.2
341.35828	7.6
419.35281	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37861	1.8
55.01841	2.6
55.05267	3.2
55.05513	27.3
57.06794	5.0
57.07076	100.0
61.01976	2.2
67.05513	16.9
67.54391	2.4
69.03432	2.6
69.07071	44.3
70.80242	3.6
71.04990	3.5
71.08632	83.1
79.05489	19.5
81.07056	50.8
83.05012	16.5
83.08623	33.5
85.06524	4.3
85.10185	56.9
87.04440	2.4
91.05468	5.3
93.07044	42.2
93.64714	2.2
95.08608	33.5
97.06547	5.4
97.10167	19.7
99.08108	8.5
99.11720	6.3
101.06019	42.2
105.07030	3.5
107.08595	35.5
107.70884	2.5
109.06522	11.0
109.10166	20.2
111.04483	3.3
111.08084	12.4
111.11728	11.1
113.09683	5.0
113.13255	4.6
115.07584	6.3
115.76839	2.3
121.10136	23.2
123.11726	10.3
125.05993	4.5
125.13255	6.6
127.06617	4.0
127.07557	84.4
129.05481	92.7
135.11691	22.7
137.13274	5.8
139.07565	4.2
139.11208	4.5
139.14827	2.5
141.12862	2.9
143.07050	7.6
149.13271	22.3
151.14857	4.9
153.09114	4.7
153.12837	5.0
163.11156	2.5
163.14850	17.0
167.14340	8.4
177.16432	12.5
181.15880	6.3
188.30537	2.4
191.17967	7.3
195.13742	5.3
195.17430	5.6
199.13448	2.9
205.19431	3.8
209.19002	6.9
219.21120	5.8
223.20712	3.6
227.16457	2.5
227.29869	2.3
233.19095	2.2
233.22614	3.4
237.18533	2.4
237.22084	3.7
241.17952	5.1
251.23782	2.5
269.20993	2.4
289.28879	12.3
307.29956	13.1
317.28482	4.0
479.37646	3.4
479.44098	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	480.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	11.8
55.01871	13.6
55.05510	6.3
57.03437	10.7
60.04529	2.2
61.02924	8.1
67.05504	10.1
68.99801	3.3
69.03085	2.8
69.03433	40.0
69.07066	2.0
71.04994	8.6
72.95345	1.5
73.02930	11.3
77.48029	1.7
79.05507	8.0
81.03421	41.4
81.07075	11.1
83.04991	3.6
83.08627	3.8
85.02908	100.0
87.00301	3.2
87.00832	46.3
87.04463	3.2
91.03954	2.4
91.05494	9.7
93.07065	8.5
95.04970	2.7
95.08608	6.7
97.02897	56.9
97.06522	7.6
98.06078	1.6
99.04452	18.8
99.14119	1.5
100.11230	2.4
105.01866	45.6
105.07024	4.7
107.08600	4.9
108.04488	10.7
109.02885	34.0
109.03582	2.5
109.10153	4.7
111.04468	2.2
111.08092	1.8
117.01873	5.4
117.07030	3.9
119.08562	3.0
125.09647	2.3
126.05516	5.6
127.03922	74.9
129.01854	4.2
131.08588	1.9
133.10114	3.0
135.08107	1.8
135.11687	2.4
137.31706	1.9
141.06998	2.4
145.04956	36.4
147.02856	5.1
153.09157	2.3
159.02892	25.1
163.03856	2.0
168.13867	2.6
181.10176	1.7
189.03963	3.4
191.10632	1.8
196.13358	2.4
197.05951	2.8
213.03969	4.2
215.07104	3.0
230.06662	3.1
231.04996	12.7
248.07451	3.7
260.09991	2.0
283.15665	2.9
291.13824	1.7
480.28973	2.8
481.19482	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	480.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	5.7
55.05276	1.8
55.05507	10.3
55.55301	1.8
57.03434	5.2
61.02919	2.9
67.05492	6.1
67.05807	1.8
69.25377	6.6
69.25799	5.3
79.05484	13.0
81.03407	9.4
81.07056	9.6
83.01352	8.0
83.04989	7.5
83.08615	10.1
85.02931	5.2
86.40885	1.6
88.06024	2.0
90.37181	2.0
91.05481	7.0
91.15084	2.1
93.07043	17.1
95.04991	3.2
95.08601	5.6
97.02901	3.0
97.06539	3.5
99.04450	2.3
105.07023	6.3
107.04958	4.5
107.08611	9.0
109.06528	6.3
109.10183	1.8
111.04442	2.5
116.46381	1.9
117.07011	5.8
119.08590	5.5
121.06477	2.5
121.10136	6.0
123.08067	4.3
131.08594	2.8
135.11678	9.4
145.10109	12.4
153.12756	6.2
159.62488	1.8
163.11166	21.1
173.09645	4.1
177.21657	1.7
181.12270	4.2
188.13687	2.0
191.10725	5.5
209.11740	11.6
209.13510	2.0
227.12752	10.2
283.15405	100.0
284.15683	6.3
353.15710	3.5
359.10980	2.0
475.73309	2.0
480.19138	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	8.7
55.01878	24.0
55.05517	38.5
57.03431	12.1
57.07056	4.3
59.05011	9.3
67.05516	28.5
69.03432	20.8
69.07069	13.1
69.29301	25.7
71.01334	5.0
71.04997	9.3
79.05502	45.8
81.03427	50.5
81.07057	37.9
83.01356	32.0
83.04987	26.6
83.08612	26.7
85.02916	26.6
85.48927	3.7
91.05491	28.0
93.07047	52.7
95.04966	17.7
95.08603	10.3
97.02896	21.0
97.06538	11.8
98.22519	3.3
99.04452	12.2
105.07043	24.1
107.04985	24.1
107.08605	26.9
109.02889	17.3
109.06549	19.5
111.04443	11.0
117.07066	19.2
119.08578	19.7
121.06532	5.0
121.10150	13.5
123.08076	14.1
125.09630	4.0
127.03927	40.0
129.06990	6.9
131.08606	9.0
135.04245	3.5
135.11717	31.8
137.09653	3.4
145.04985	7.8
145.10135	44.4
153.12744	16.5
163.11197	78.4
173.09619	11.6
181.12277	15.0
191.10704	22.2
209.11717	85.8
209.13554	6.5
210.11958	5.5
227.12788	77.0
227.89948	3.9
263.04349	4.0
272.81369	4.0
279.78571	3.7
283.15430	100.0
284.15878	6.3
298.71207	3.5
318.14063	3.6
331.90726	3.6
353.15970	85.3
354.16202	9.1
371.16959	34.3
393.87247	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	480.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.0
55.01874	16.5
55.05511	34.1
55.61081	1.6
55.70409	1.7
57.03434	11.8
58.78526	2.0
59.04988	6.1
61.02928	1.9
62.21308	1.6
62.28527	1.6
65.03925	2.1
67.05502	24.2
69.03429	21.7
69.07069	7.8
69.98640	6.2
71.01343	3.8
71.04997	7.4
79.05060	3.6
79.05492	35.5
79.05910	3.0
81.03416	44.1
81.03864	3.7
81.07062	30.8
83.01349	21.0
83.04980	25.8
83.08617	22.7
85.02905	25.4
85.06573	2.7
91.05468	22.4
93.07044	45.6
95.04972	13.4
95.08615	12.4
97.02892	19.4
97.06532	9.7
97.10159	2.9
99.04446	13.8
105.07037	14.3
107.04950	15.7
107.08591	22.2
108.04488	2.8
109.02883	18.7
109.06527	13.1
109.10168	3.0
111.04432	7.0
111.08099	3.8
117.07017	16.2
119.08578	16.6
121.06505	5.7
121.10123	15.7
122.37540	1.6
123.08070	21.0
125.06004	4.4
125.09604	3.0
127.03911	40.5
127.04785	3.3
129.06992	2.0
130.07816	2.7
131.08575	5.8
133.10123	3.2
135.08037	6.9
135.11696	25.4
136.09047	1.7
137.09639	1.7
137.59776	1.9
143.08536	2.2
145.04976	7.6
145.06468	1.7
145.10114	38.2
147.08049	4.3
149.09660	1.8
153.12799	8.7
163.11182	70.9
164.11552	3.4
173.09619	12.1
181.12256	12.1
191.10649	17.0
209.11725	80.4
227.12775	82.9
228.13115	2.3
245.47832	1.7
246.58763	1.9
281.13773	3.7
283.15308	11.8
311.14758	4.9
335.15118	2.1
353.15930	100.0
354.16333	4.6
371.16974	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.3
55.01877	1.6
55.05506	2.6
56.05021	0.4
57.03438	6.0
57.07078	0.4
58.06599	32.7
59.07381	16.8
59.99802	0.2
60.08160	3.3
64.70803	0.2
65.03954	0.3
67.05505	8.6
69.07065	2.8
71.04980	0.4
71.07375	0.8
79.05480	3.1
81.07058	6.9
83.04980	0.4
83.08620	0.5
84.08143	2.1
85.02900	2.8
86.09711	1.4
87.04492	0.3
91.05474	1.2
93.07032	2.0
95.04965	0.4
95.08598	4.1
97.06503	1.8
97.10172	0.3
98.37986	0.2
99.08085	0.4
100.11246	3.4
102.05521	0.3
105.07049	0.5
107.08595	0.8
109.10161	1.3
113.06002	4.5
116.07137	0.4
116.10706	1.6
118.12296	1.0
119.08575	0.5
121.10144	0.7
123.11669	0.5
132.66646	0.2
133.10094	0.6
142.12309	0.6
144.10190	59.8
145.10513	1.0
158.15472	1.2
162.11261	8.4
174.14897	0.2
197.87228	0.3
200.12790	3.5
218.13885	1.4
229.18918	0.3
393.30048	1.1
436.37762	4.4
480.36819	100.0
481.22485	0.3
481.37131	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	481.1319
Annotation	Ampelopsin 3'-methyl ether 4'-rhamnoside
Peak:m/z	Relative Intensity
59.55146	0.4
64.89428	0.5
69.03424	1.1
70.06599	0.5
71.28900	0.7
85.02920	2.5
86.09733	0.4
88.77700	0.4
94.06575	2.5
95.04996	0.7
97.02896	0.9
123.04430	0.6
134.18040	0.4
137.10774	0.5
140.03435	1.1
145.04991	0.9
147.04411	1.0
155.03133	1.1
203.78806	0.5
215.04066	0.6
223.29005	0.4
230.03618	0.5
283.10931	0.8
298.76669	0.5
301.12567	1.4
319.13409	1.0
349.08975	5.2
359.09247	1.9
367.10010	0.9
463.11966	5.1
463.17767	0.6
464.12436	0.5
481.13129	100.0
482.13388	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	481.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08638	0.4
55.05479	0.9
59.09536	0.5
67.05463	1.6
69.00893	0.9
69.01295	4.2
69.07051	1.3
79.05470	0.9
81.03387	0.7
81.07047	1.2
83.08588	1.0
91.05458	1.3
91.73717	0.5
92.07651	0.5
92.47579	0.5
93.03989	0.5
93.07002	1.4
95.04939	0.6
95.08615	4.1
105.07021	2.7
107.08563	1.3
109.10156	4.1
113.93954	0.5
117.07009	0.7
119.07794	0.6
119.08579	10.0
121.10093	0.7
127.03829	0.6
128.80582	0.5
133.10129	12.0
135.11673	2.5
137.09596	1.3
145.10088	0.8
147.11647	2.4
149.13217	0.8
153.12674	1.4
160.12457	0.6
163.11201	0.7
167.03069	0.5
175.14799	6.2
195.54617	0.5
203.05171	2.7
221.26620	0.5
227.05209	1.5
243.04868	0.7
245.06361	4.8
262.08997	0.5
271.04224	1.1
283.15439	1.0
284.15741	1.9
287.03735	5.0
289.05280	100.0
290.05634	2.4
437.21484	1.4
481.20438	47.4
482.20905	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	481.2044
Annotation	Longicornin A
Peak:m/z	Relative Intensity
53.03926	0.8
53.81623	0.7
55.05507	3.2
58.06600	1.7
67.05499	3.5
68.99342	4.1
68.99769	4.0
69.07060	3.6
71.04990	1.4
77.39865	0.8
79.05473	3.5
81.03387	1.1
81.07056	6.6
83.04980	1.9
83.08609	1.2
85.06586	1.1
91.05479	3.9
93.07034	2.8
95.04977	1.8
95.08591	3.3
95.41909	0.9
97.06547	1.6
98.23372	2.1
105.07035	6.6
107.08594	3.4
109.06523	0.8
109.10173	1.5
111.08054	1.0
117.07054	1.5
119.08578	13.1
121.10138	2.6
123.08066	1.4
123.11703	3.8
131.08575	1.3
133.10118	10.8
135.04399	1.0
135.08041	1.2
135.11665	0.9
137.05956	2.0
140.14384	0.8
145.10139	2.2
147.11676	1.6
163.11148	1.2
164.73799	1.0
175.14799	6.8
185.04295	1.2
203.05263	1.7
227.05226	1.9
233.15112	2.9
238.06889	1.1
245.06319	7.5
252.15497	1.0
257.44205	0.8
271.04160	3.3
287.03680	3.0
289.05286	78.0
290.05658	2.1
291.13834	0.8
370.15286	0.8
377.19174	2.1
395.20450	3.0
419.20453	9.4
437.21506	15.6
438.21878	1.2
463.19370	100.0
464.19821	8.7
481.20401	85.2
481.30380	1.8
481.39926	2.3
482.20694	7.4
482.30948	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93877	0.3
55.01863	0.3
55.05471	0.5
63.49879	0.3
64.15683	0.3
67.05481	1.0
69.07060	0.4
69.83372	0.6
69.83749	1.1
79.05472	1.1
80.05013	0.5
81.03382	1.2
81.07038	0.4
91.05459	1.3
94.07339	0.4
95.08542	0.4
97.02867	0.5
97.06474	0.4
98.06770	0.3
98.09701	0.7
115.11679	0.3
116.10659	0.3
117.07008	0.3
118.07314	0.3
121.10131	0.4
122.06004	0.7
129.24606	0.3
130.06520	0.3
136.07579	1.0
159.09099	0.3
163.03813	0.3
169.07539	0.6
170.08351	1.2
171.09140	1.0
183.09164	2.4
184.09972	1.8
185.10732	2.4
187.08653	3.0
197.07123	3.0
198.07899	4.4
199.08623	0.6
200.09451	6.0
201.10318	0.4
209.11697	0.4
210.12096	0.6
211.08675	4.8
212.09444	4.7
213.10216	7.1
215.08348	1.8
225.06602	0.5
226.07423	1.6
229.09737	2.6
229.90294	0.3
231.11308	0.7
239.08171	3.9
241.09766	2.4
257.09210	57.6
258.09540	2.6
259.10751	1.4
260.34030	0.3
261.70609	0.3
269.09174	0.9
285.08691	82.2
286.09067	4.0
287.10245	1.1
313.08185	52.0
314.08475	3.4
319.12909	0.8
332.65152	0.3
339.12183	0.3
345.10800	100.0
346.11069	5.3
450.16617	0.8
482.19211	18.0
483.19650	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.9
55.05513	12.1
57.03432	7.0
61.02930	4.1
67.05499	8.9
68.88953	2.7
69.03438	4.6
69.07087	5.7
70.63125	5.2
79.05486	14.3
81.03418	54.6
81.07056	16.4
83.04981	10.2
83.08624	22.9
85.02909	15.8
91.05495	19.9
93.07050	9.8
95.04988	17.6
95.08615	5.4
97.02907	5.7
97.06567	3.7
105.07009	17.4
107.04975	5.1
107.08596	5.0
109.06536	4.1
111.08083	10.1
119.08596	13.1
121.06465	3.2
121.10178	5.6
123.11671	3.0
129.07079	7.4
131.08565	3.3
133.06448	2.8
133.10152	7.6
138.09134	4.3
147.08067	2.9
147.11642	14.2
157.10143	12.0
166.73308	2.6
175.11215	14.4
193.12239	47.7
193.13834	4.9
207.99420	3.1
211.13289	46.4
267.15845	24.6
285.16986	100.0
286.17291	3.5
439.75513	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	482.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.2
57.03436	3.7
58.00774	1.0
59.04979	1.3
67.05508	1.5
69.03432	1.7
69.07083	1.0
70.06574	1.1
70.11659	2.8
71.04995	12.3
71.20410	1.0
73.02919	4.2
73.06559	4.5
79.05490	4.6
81.03429	2.3
81.07063	18.9
83.08659	1.0
85.02923	5.0
91.05484	3.1
93.07043	10.9
95.04991	1.3
95.08623	2.7
97.02892	4.8
97.06535	1.6
97.48044	1.1
98.64299	1.0
107.08602	7.6
109.10176	2.3
115.03917	2.0
121.10182	1.2
127.03934	1.2
131.08469	1.2
133.10115	1.3
135.11700	17.4
147.11725	1.7
153.12753	100.0
154.13095	3.7
175.11278	1.1
193.12328	1.9
211.13347	2.4
262.28723	1.0
267.15955	2.1
273.08795	2.1
282.46695	1.0
285.17004	5.2
327.09808	2.9
345.10773	4.6
347.78799	1.2
360.67395	1.2
425.42932	1.2
441.38583	1.0
482.18500	1.0
483.09567	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.1
55.01867	8.3
55.05507	13.8
56.02182	1.3
57.03430	8.1
57.07068	2.3
61.02948	1.7
65.03912	1.1
67.05502	10.1
69.03423	7.0
69.07066	67.5
70.07405	1.5
71.04984	4.0
71.08631	3.6
71.30807	1.8
72.01665	1.3
73.02938	2.7
73.06561	1.3
79.05493	19.4
80.05835	4.6
81.03422	11.0
81.07063	7.8
82.03741	1.7
82.07380	2.2
83.01337	4.8
83.04974	5.3
83.08601	5.6
84.05304	1.4
84.79281	1.4
85.02906	12.4
85.10136	1.6
87.00836	4.5
91.05484	22.5
92.05817	5.7
93.07030	14.7
94.07368	3.9
95.04971	4.2
95.08595	5.8
96.08954	1.4
97.02877	6.8
97.06532	5.5
98.06851	1.6
99.04457	1.8
99.21894	1.6
105.01867	4.4
105.07025	4.8
106.07419	1.6
107.04942	5.9
107.08580	10.4
108.08925	3.8
109.02874	3.3
109.06548	3.0
109.10131	1.7
111.04484	1.6
111.11717	100.0
112.12043	2.4
115.05444	3.5
116.05794	1.3
117.07023	13.9
118.07346	5.7
119.08591	4.6
120.08892	3.0
121.06480	2.0
121.10152	2.6
123.08039	1.9
124.08390	1.3
127.03938	6.5
129.00722	1.4
129.12737	2.2
131.08505	2.3
133.10112	1.5
135.08054	16.6
135.11688	2.8
136.08382	6.7
136.12045	1.8
145.04955	3.6
145.10097	2.7
146.10486	2.6
159.02968	1.7
160.11203	1.4
163.07542	3.0
163.11211	5.2
164.07970	2.0
164.11537	3.2
165.25403	1.2
181.12357	2.2
191.14250	2.2
195.24501	1.3
199.16922	35.6
200.17270	1.8
208.00752	1.3
209.11726	4.4
216.07346	2.1
217.17957	11.9
219.68750	1.4
228.12959	1.7
255.12270	12.6
256.12585	12.6
260.09802	1.9
278.10968	1.5
283.15381	8.7
284.15720	15.2
464.23578	14.0
482.24054	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	482.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18341	0.3
55.01871	1.4
55.05513	4.6
56.05046	0.3
57.03441	5.0
57.07074	1.4
58.06601	30.5
59.07383	14.0
60.08162	3.9
60.24628	0.4
64.56125	0.3
65.03964	0.3
65.81683	0.3
67.05507	4.2
69.03427	0.4
69.07064	4.3
69.81702	0.9
71.04993	0.5
71.08620	1.2
79.05501	1.9
79.26496	0.3
81.07064	3.6
82.19853	0.3
83.04973	0.5
83.08620	2.8
84.08148	1.6
85.02911	2.3
85.08931	0.4
85.10166	0.3
86.09687	1.1
87.04450	0.3
89.06052	0.7
91.05493	0.6
93.07037	1.0
95.08616	2.6
97.06528	1.4
97.10181	2.2
100.11256	3.1
107.08566	0.8
109.10153	1.2
111.11758	0.4
113.05997	3.8
116.07077	0.5
116.10714	1.4
118.12287	1.3
121.10130	0.9
125.09632	0.8
133.08636	0.3
135.11678	0.7
144.10196	58.6
145.10518	0.7
158.15411	1.5
162.11261	6.7
174.14862	0.4
177.11366	0.3
189.11266	0.6
197.97659	0.3
200.12794	3.1
218.13847	1.4
283.17538	0.4
326.48178	0.3
352.15259	0.3
382.48090	0.3
395.31549	1.1
430.99023	0.3
438.39505	4.6
482.38394	100.0
483.38712	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	482.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.3
57.07079	58.8
58.53300	1.0
69.07063	6.6
71.08633	51.3
73.06548	3.2
81.07058	0.9
82.99239	0.8
83.08612	3.5
85.10187	34.1
87.04474	3.7
89.06034	100.0
94.24213	0.9
97.10142	2.8
99.11727	6.2
107.07069	3.3
111.11703	3.1
113.13261	5.3
117.09127	1.4
121.38499	1.0
125.13244	2.3
127.14823	2.7
131.12990	1.0
133.04115	0.9
133.08606	59.0
134.08919	1.2
149.89946	1.1
151.09720	2.1
177.11220	21.2
195.12282	2.8
221.13857	3.5
227.23711	1.0
239.14842	3.3
256.41858	1.0
271.26260	2.7
283.17532	27.7
315.28864	2.6
341.22635	1.0
421.34961	1.4
465.37903	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03789	1.1
55.41240	1.0
56.96571	3.8
69.03427	1.8
71.28689	2.3
75.58571	0.9
81.03438	1.8
82.99848	2.1
84.96043	2.0
85.02933	2.6
97.02887	1.5
98.97593	11.4
101.00877	18.9
110.97561	4.9
113.00890	3.5
115.02425	5.2
116.98632	5.3
119.01935	27.4
127.02455	4.2
128.98633	2.8
129.03969	1.3
131.01910	14.8
133.03476	15.7
137.02939	2.1
138.01917	1.0
139.02426	2.0
140.98596	3.5
143.00218	1.4
143.01901	24.0
144.01974	1.9
145.03474	13.5
151.04514	2.8
152.98705	1.0
155.01886	22.4
155.03050	1.2
157.03477	10.9
158.99681	9.1
159.01329	1.3
159.05040	1.0
161.01396	1.5
161.02960	22.7
162.03130	1.2
163.04529	1.8
167.01872	9.7
169.03493	3.6
170.99728	2.9
171.05052	4.0
173.02972	34.5
174.03105	2.0
175.04530	15.2
177.00728	5.7
177.02373	2.5
179.01956	3.2
182.99738	2.4
183.01328	2.0
183.05063	1.9
185.02965	48.4
186.03111	3.0
187.04550	4.7
189.00755	2.7
191.04173	1.3
197.02966	15.7
199.04507	1.7
201.00702	7.9
201.02481	26.7
201.04330	2.5
201.06104	3.0
202.02667	1.4
203.04048	12.6
209.02983	2.7
213.02481	6.9
215.04015	9.3
219.01732	6.4
219.03525	60.4
220.03691	3.7
221.05058	3.3
225.02466	1.2
227.04048	9.8
228.04355	1.3
229.05537	2.4
231.03629	6.0
237.02713	3.7
237.04666	3.5
243.01685	2.3
245.05077	100.0
246.05165	5.7
249.04677	7.5
255.03714	1.7
257.05057	5.9
261.02637	5.1
261.05112	9.3
263.06128	13.6
275.06152	12.2
276.06525	1.6
279.05734	4.0
285.04651	1.1
291.03430	1.3
293.07181	4.7
303.05612	14.9
303.09229	6.1
305.07202	9.5
321.06567	16.2
321.10342	3.4
335.08179	3.7
351.06171	1.3
352.82846	1.0
365.09259	5.2
483.11563	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
54.00813	1.2
55.01866	2.9
55.05509	9.7
57.03439	4.8
61.02926	1.7
63.19079	1.1
65.03930	2.0
67.05503	7.6
69.03429	5.1
69.07069	22.0
71.04994	2.2
79.05499	14.2
79.05926	1.8
81.03414	6.8
81.07052	10.0
83.04996	4.3
85.02905	3.0
89.03922	2.8
91.05493	4.6
92.45309	1.2
93.07062	5.6
95.04980	3.8
95.08607	7.4
97.02888	2.2
97.06529	67.4
97.10165	8.0
98.76892	1.3
99.04462	1.5
105.03385	1.3
105.07041	5.3
107.04983	1.9
107.08598	3.4
109.02837	1.4
109.06491	1.9
109.10182	5.5
111.08097	3.4
112.08831	1.8
117.03388	4.4
117.06988	1.5
117.59971	1.2
119.08591	4.5
121.06514	1.3
121.10143	2.4
123.08096	1.5
123.11677	1.6
125.09672	3.0
127.03890	2.6
129.07033	2.9
129.09125	3.6
131.05023	1.4
131.08549	2.8
133.02893	3.4
133.10181	2.4
135.04443	5.0
141.06976	1.8
143.08586	1.5
143.10712	2.3
145.02875	3.5
145.10088	1.8
147.04424	2.4
147.11664	1.5
155.08589	1.3
157.06526	2.3
157.10196	1.8
158.92929	1.2
159.04416	6.4
159.11661	1.9
161.02341	26.4
163.03909	39.3
167.08600	1.3
173.02344	63.0
173.13226	1.6
175.03952	1.2
181.06477	1.3
185.06047	3.9
187.03979	1.5
187.07538	1.5
188.78951	1.2
191.03416	8.7
197.06006	2.7
199.03987	1.6
213.05444	1.8
215.07027	100.0
216.07393	3.4
233.08125	4.9
241.08504	12.5
250.24446	1.1
252.82077	1.2
259.09665	30.0
260.09753	1.3
273.11163	13.1
285.39468	1.4
287.10281	4.5
291.12265	75.3
292.12595	3.4
303.23318	1.4
321.24228	2.2
329.11365	4.0
339.12396	1.7
439.19611	1.6
465.28149	2.4
466.19382	2.2
483.17667	2.2
483.25934	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	483.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61289	1.8
53.03949	3.1
55.01877	3.3
55.05505	7.3
57.03433	5.8
58.01662	1.8
67.05493	8.7
69.03423	7.6
69.07071	18.9
71.05006	3.8
79.05499	23.9
79.39021	1.8
81.03406	9.0
81.07052	15.5
83.04981	4.4
83.08649	3.5
84.04503	3.1
85.02903	5.8
85.06573	2.4
85.73546	1.8
91.05464	10.4
93.07036	8.2
95.04968	4.3
95.08602	13.6
97.02890	4.3
97.06535	48.1
99.04469	1.9
105.07047	7.3
107.04935	4.3
107.08598	6.1
109.10160	6.3
111.08092	6.2
112.08928	2.9
117.03401	2.7
117.07024	2.7
119.04904	2.3
119.08600	6.2
121.06451	3.3
121.10157	5.0
123.08105	3.6
125.05904	2.1
125.09619	3.4
127.03860	2.8
129.06969	3.4
131.08513	3.6
133.02849	7.6
133.10156	4.3
135.04449	3.7
135.08049	2.9
135.11700	4.6
137.06015	3.2
137.09598	2.5
141.07027	3.7
143.08577	2.3
145.02827	5.0
145.10168	4.1
147.11691	3.6
151.07568	2.2
157.10086	3.5
159.04341	3.5
159.11693	3.0
161.02345	7.6
161.09583	3.7
161.13158	2.7
162.03094	3.8
163.03922	27.4
163.11147	2.2
164.04211	2.1
167.08594	2.4
169.06551	3.3
171.11729	2.2
173.02338	90.3
177.05470	6.2
177.12796	2.7
185.05939	4.7
191.03404	9.2
193.12349	2.2
195.08058	3.2
195.37735	2.0
197.05978	4.8
213.05473	2.4
213.09094	3.3
215.07025	86.8
216.07329	2.2
217.15962	2.5
233.08084	4.6
238.67891	2.0
241.08629	30.0
259.09637	50.2
260.09821	2.4
273.11203	100.0
275.20142	3.5
279.10266	2.5
286.12564	2.7
291.12305	3.1
293.11722	3.2
339.12296	3.8
483.25650	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.5
53.30623	1.2
55.01881	3.7
55.05517	2.7
57.03434	3.4
59.04969	1.9
61.02941	2.5
67.05503	4.4
69.03448	2.2
69.07076	20.5
70.63905	2.5
70.64243	2.7
72.21417	1.5
74.05882	1.4
79.05486	12.2
81.07063	3.8
83.05013	1.6
89.03923	3.6
91.05505	1.9
93.07080	2.0
95.05006	1.8
95.08622	2.1
95.46539	1.5
97.02967	1.4
97.06530	98.3
98.06887	2.6
111.08109	2.1
115.05612	1.3
117.03374	4.1
129.09148	3.9
133.02919	3.0
135.04430	5.7
145.02881	6.9
147.04398	1.7
155.08525	2.6
159.04396	10.1
161.02327	26.8
163.03909	61.9
173.02344	60.8
174.02718	1.8
185.05968	4.3
187.07559	2.6
191.03368	8.3
197.05939	2.1
215.07027	94.6
216.07352	5.5
233.08136	5.7
241.08569	19.6
259.09662	29.6
273.11194	16.0
291.12265	100.0
292.12741	2.6
465.19846	2.0
483.20670	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	483.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.0
54.02728	1.4
55.01871	4.3
55.05516	9.3
57.03426	6.3
57.07076	2.4
59.05001	2.0
67.05506	17.1
69.03431	4.7
69.07067	25.5
69.23690	10.8
71.04995	5.1
79.05493	24.9
81.03398	4.4
81.07057	22.6
83.04993	5.2
83.08627	4.7
85.02895	3.9
85.06548	5.8
89.03925	2.0
91.05450	7.0
93.07033	13.2
95.04986	4.1
95.08608	41.7
97.06528	53.9
97.10164	1.5
101.06010	3.0
105.04510	1.6
105.07040	12.3
107.04954	3.9
107.08591	20.5
109.06538	2.7
109.10158	22.5
111.08068	11.4
112.08868	2.3
113.09638	4.6
117.03382	3.7
119.08590	15.7
121.06473	3.5
121.10121	17.8
123.08052	10.1
123.11709	5.4
125.09630	2.2
129.05478	2.2
129.06949	1.9
129.09108	5.7
131.04939	1.8
131.08585	3.9
133.02852	4.9
133.06546	1.8
133.10144	12.6
135.04422	4.5
135.08073	9.3
135.11702	8.5
137.09613	9.5
139.07472	2.1
139.11191	2.0
141.09108	4.3
143.08565	2.5
145.02882	7.3
145.06563	2.2
145.10159	6.0
147.04457	2.0
147.11702	8.1
149.09607	3.6
149.13181	3.4
151.07542	2.6
151.11201	3.1
155.10664	2.1
157.10127	5.4
159.04443	3.9
159.11671	7.2
161.02376	11.1
161.09601	3.6
161.13254	6.1
162.52409	1.5
163.02550	2.4
163.03900	40.5
163.11177	5.2
163.14830	4.4
165.09125	2.6
165.12706	3.4
167.08609	1.8
171.11716	2.9
173.02342	86.7
173.13309	7.5
174.02698	2.1
175.03900	2.0
175.11183	4.0
177.05466	7.1
177.12740	4.5
179.14268	1.6
183.11752	1.8
185.05972	3.6
185.13184	2.0
187.03889	2.4
187.07616	2.6
187.14856	3.2
189.12729	5.9
189.16373	3.0
191.03416	10.3
191.14316	4.4
195.08049	2.4
197.06003	2.4
199.07510	1.5
199.14763	1.8
201.16499	2.0
203.14229	2.2
213.09142	4.0
213.16591	1.8
215.07027	80.9
216.07425	2.4
217.15872	2.2
223.07552	3.9
225.18553	1.8
227.17990	2.1
229.19342	1.8
231.17471	4.1
233.08081	3.3
239.18005	2.2
241.08591	46.2
241.10934	2.8
242.09050	2.0
247.20599	3.1
257.19092	4.5
259.09644	68.4
260.09894	2.4
273.11206	100.0
274.11563	4.3
275.20007	4.3
291.12253	6.3
339.12463	1.6
365.28232	3.3
381.17175	1.5
383.29504	7.1
383.34616	1.4
383.42996	1.6
393.27725	2.0
401.30725	9.8
411.28635	3.3
419.31979	2.3
429.29962	4.0
439.13541	2.2
447.31134	12.4
465.32043	3.1
483.12384	2.8
483.25287	4.3
484.23944	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.5
55.01876	1.2
55.05506	0.8
57.03439	0.6
67.05508	2.0
69.03430	1.6
69.07082	1.0
77.77718	0.3
79.05484	2.5
81.03421	2.5
81.07054	1.8
83.04983	0.8
83.08633	0.6
85.02895	1.2
91.05461	2.4
93.07064	1.9
95.04957	1.1
95.08605	1.4
97.02879	1.0
97.06521	1.9
97.10133	0.5
98.03669	0.4
99.04443	0.7
105.07018	1.3
107.04912	0.5
107.08606	1.1
109.10133	0.5
111.04427	0.6
111.08083	0.4
117.07056	1.1
119.04921	0.4
119.08587	1.3
121.06441	0.6
121.10149	0.9
125.09652	0.6
129.07066	0.4
130.06552	0.5
131.08557	0.4
133.10150	0.6
135.08055	1.5
135.11571	0.4
149.09615	0.6
163.03981	0.4
189.61658	0.4
197.05969	0.5
198.09181	0.8
215.06920	0.5
239.04291	0.4
247.16911	0.5
286.08981	0.5
289.33771	0.4
436.17465	0.4
483.21970	100.0
484.22281	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22962	5.9
55.05523	31.1
57.03450	6.9
57.07076	15.5
58.84093	7.0
69.07067	22.1
69.20576	40.8
79.05494	14.2
81.07068	12.0
83.08640	30.5
95.08575	12.0
97.06516	12.2
97.10183	17.1
98.98462	13.1
104.10743	9.4
119.08556	9.7
131.08571	8.5
176.42970	6.6
189.69019	6.4
202.55780	6.9
216.99095	6.8
226.20078	6.1
311.25769	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.9
57.03434	12.5
57.15339	1.6
59.04998	2.3
61.02929	2.5
61.07035	1.2
67.05502	2.4
68.92113	1.4
69.03426	13.0
69.07068	9.4
71.08636	44.9
71.10755	2.8
73.02918	15.4
79.05486	6.1
80.05807	2.0
81.03415	6.1
81.07082	3.1
83.05001	2.4
84.04496	2.3
84.20911	1.6
85.02911	17.0
87.04439	3.2
91.05484	2.7
93.07050	2.9
95.08599	4.0
97.02882	15.6
97.06522	13.3
98.06864	3.1
99.08092	100.0
100.08450	1.7
105.07030	2.7
109.02892	3.5
109.10229	1.7
115.03936	11.5
119.08594	3.2
122.09650	1.9
126.24142	1.3
127.03905	4.9
129.12767	12.6
130.05037	2.7
133.04999	4.3
145.04991	4.2
150.09077	1.8
155.08566	18.6
155.14328	3.1
159.04468	1.6
161.02362	2.8
162.02669	1.8
163.03917	5.8
164.04277	4.0
173.02376	8.9
173.15381	67.3
174.02673	4.4
174.15666	1.9
215.06993	8.9
216.07401	8.6
242.08821	1.9
259.09763	2.7
260.10049	3.5
274.11548	2.0
291.12442	3.8
292.12659	9.2
353.15195	1.7
434.81519	1.5
441.20264	1.6
484.18054	1.5
485.20090	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	484.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	3.1
57.07075	26.3
58.07407	0.6
60.93173	0.6
66.50846	0.6
66.65260	0.5
67.05500	1.5
69.07058	2.3
71.08633	26.0
73.06558	7.1
79.05492	1.2
81.07052	1.6
83.08618	5.1
85.10181	25.3
85.79900	0.8
87.04487	3.5
89.06032	100.0
91.05478	1.2
93.07018	1.0
96.97748	0.6
97.10162	1.9
98.23413	1.0
99.11723	3.2
107.07051	3.0
111.08010	0.7
117.09132	5.3
119.08625	0.6
130.08659	1.5
130.20129	0.6
131.07025	1.4
133.08603	52.1
134.08917	0.9
135.10196	1.2
141.16362	5.2
145.10121	0.6
159.11646	0.7
161.11731	0.7
177.11218	18.1
185.19019	8.2
206.22047	0.6
221.13841	3.5
226.21637	0.8
227.96928	0.6
229.21657	9.8
233.29288	0.6
239.14963	2.2
266.19067	0.7
273.24261	7.1
283.17526	2.2
327.20065	7.1
423.32993	0.8
467.18307	0.6
467.35754	10.9
485.32742	1.8
504.19370	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33537	0.2
55.05511	1.6
57.02536	0.2
57.07070	0.9
59.66946	0.2
65.03935	0.8
67.05502	0.7
69.03407	0.3
69.07076	0.3
71.04990	0.3
71.08644	0.3
71.46179	0.2
76.87403	0.2
78.04722	0.5
79.05492	1.7
79.92807	0.2
81.03410	1.0
81.07053	1.0
83.08614	0.3
85.06520	0.4
87.04469	0.8
91.05480	37.9
92.05794	0.7
93.07045	0.8
95.04966	0.3
95.08638	0.2
103.05467	0.9
104.06244	3.1
105.07029	22.0
106.07357	0.3
107.08533	0.3
109.06493	0.3
109.10171	0.3
111.08090	1.1
117.07031	0.7
123.08052	0.8
127.07555	0.6
129.06999	0.3
131.08546	0.7
133.10127	100.0
134.10471	2.8
137.09644	0.3
147.08046	4.5
147.09174	0.4
149.09657	0.4
153.09094	0.6
171.10185	0.4
187.09540	0.3
224.47098	0.3
313.27271	1.3
461.21872	0.2
485.31519	0.7
485.47229	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.4
55.05516	2.9
57.03439	6.4
57.07051	0.7
58.06601	25.9
58.07016	0.7
59.04971	0.3
59.06920	0.5
59.07383	9.5
60.08165	8.3
67.05505	1.8
69.07076	3.6
69.31692	0.3
69.31993	1.5
71.08586	0.3
73.02903	1.0
75.04480	3.9
79.05496	1.1
81.07069	2.0
82.01916	0.3
83.08632	2.0
84.08116	0.7
85.02902	2.3
87.03936	0.3
87.04468	5.1
91.05473	0.4
93.05500	0.5
93.07037	1.2
95.08608	1.7
96.54606	0.2
97.06532	0.3
97.10118	0.7
98.22591	0.4
100.11234	0.3
102.05525	0.3
103.03905	0.9
105.05478	0.7
107.08586	0.5
109.10146	0.5
111.08087	0.2
113.05991	0.4
119.88028	0.2
121.10120	0.9
129.05484	0.3
131.07033	2.2
135.11655	1.0
140.01843	0.2
144.10191	7.9
149.13235	0.3
162.11235	4.2
170.68118	0.2
171.11563	0.2
200.12723	0.3
218.13846	0.6
236.14922	100.0
237.15263	3.3
246.85524	0.2
325.27518	0.2
381.29901	0.3
403.65613	0.2
405.50754	0.2
424.37924	0.7
468.36844	23.1
469.37170	2.2
486.37894	62.1
487.38281	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	487.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03038	0.6
53.03929	0.6
53.60793	0.6
55.05516	1.3
55.17384	0.6
56.96563	18.8
67.05493	1.9
69.03419	2.7
69.07055	0.7
69.78751	1.5
69.79162	2.1
70.06607	0.9
71.95258	1.8
79.05459	1.1
81.03399	1.5
81.07043	2.9
83.04998	0.7
84.96024	4.3
85.02892	1.0
90.57440	0.6
91.05483	1.6
93.07041	0.8
95.04969	0.7
95.08609	1.3
98.97581	100.0
105.07020	2.3
107.04948	0.9
107.08591	4.4
109.06517	0.9
109.10160	2.9
110.97568	5.7
111.04436	0.8
112.99105	1.0
116.98618	39.4
119.04954	1.0
119.08578	2.0
121.10126	3.0
123.08058	0.9
123.11710	2.7
124.99115	1.5
127.00677	1.8
128.98601	6.1
131.00179	1.0
131.08623	0.8
133.10158	1.4
134.99658	8.6
135.08015	1.6
135.11690	0.7
140.00180	1.0
141.02206	1.7
143.00146	2.1
145.01726	1.5
146.99643	2.4
147.04442	3.1
147.11584	0.9
149.13287	1.3
157.01736	1.4
158.35059	0.7
158.99655	24.0
159.03259	1.4
161.01227	2.0
163.03917	2.1
165.12689	1.0
168.75157	0.6
170.99603	0.9
173.04846	1.4
173.13274	1.6
175.02785	1.0
177.00708	25.4
179.03775	1.2
181.05391	1.3
183.03229	4.3
191.14317	1.5
195.01845	1.7
195.06885	2.0
197.04829	1.7
199.06390	1.7
200.02441	0.7
201.00822	1.0
201.04297	7.1
205.05280	0.9
209.04922	1.2
213.08031	2.8
215.05983	2.1
219.01750	14.7
221.08472	1.9
221.15308	0.7
223.06453	2.2
227.05898	1.1
231.09180	1.0
237.02788	12.1
239.09505	5.7
241.07472	6.0
247.10040	1.1
249.08017	2.5
255.09009	0.9
257.10565	2.5
259.08527	1.3
263.09402	1.0
265.08304	0.9
265.11093	13.2
266.11362	1.0
267.08899	1.6
269.10760	0.7
279.03851	2.8
281.10480	1.1
283.12155	17.0
284.12497	1.1
289.11108	2.7
291.12024	0.7
301.13196	6.9
303.14297	0.6
307.08630	1.5
307.12134	29.2
308.12473	2.0
311.11673	0.8
321.13678	1.1
325.13196	24.9
326.13403	0.8
343.14337	1.9
353.12256	1.0
358.09085	0.6
367.14240	3.6
385.15424	1.0
405.25702	0.8
409.15387	2.8
427.16357	34.8
428.16437	2.0
443.18912	0.8
445.17462	45.9
446.17657	2.2
467.71140	0.6
487.18094	13.4
488.18689	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1942
Annotation	Rutaevin
Peak:m/z	Relative Intensity
50.38136	3.3
53.89951	3.1
55.05517	5.7
55.11006	3.0
56.96574	4.1
62.44135	4.1
67.05486	3.6
67.28246	3.1
69.03434	11.8
69.07068	13.4
69.41449	3.5
71.04998	3.8
79.05482	4.0
81.03425	6.9
81.07057	10.8
83.08627	10.4
85.02918	14.0
87.00838	6.0
91.05522	5.4
93.07039	9.7
93.86123	3.6
95.04977	5.1
95.08640	7.5
97.02869	4.7
97.06532	11.9
98.23394	6.0
98.97607	5.3
99.04493	3.5
100.11256	4.6
105.01860	3.7
107.08603	15.4
109.02892	9.4
109.10168	7.8
110.97557	3.9
115.03970	3.4
119.08583	5.0
121.10146	4.0
123.08062	5.0
123.11707	3.6
125.09785	3.4
125.13296	6.4
127.03922	9.6
128.98605	4.9
133.10149	4.3
135.11705	12.8
137.09511	4.6
149.51039	3.2
150.80685	3.0
153.12708	5.2
159.02921	3.6
165.09149	3.3
180.10217	5.8
191.14784	3.3
221.19034	17.5
291.03943	4.4
325.14456	8.2
355.14117	4.6
487.19385	100.0
488.19351	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	487.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38136	3.3
53.89951	3.1
55.05517	5.7
55.11006	3.0
56.96574	4.1
62.44135	4.1
67.05486	3.6
67.28246	3.1
69.03434	11.8
69.07068	13.4
69.41449	3.5
71.04998	3.8
79.05482	4.0
81.03425	6.9
81.07057	10.8
83.08627	10.4
85.02918	14.0
87.00838	6.0
91.05522	5.4
93.07039	9.7
93.86123	3.6
95.04977	5.1
95.08640	7.5
97.02869	4.7
97.06532	11.9
98.23394	6.0
98.97607	5.3
99.04493	3.5
100.11256	4.6
105.01860	3.7
107.08603	15.4
109.02892	9.4
109.10168	7.8
110.97557	3.9
115.03970	3.4
119.08583	5.0
121.10146	4.0
123.08062	5.0
123.11707	3.6
125.09785	3.4
125.13296	6.4
127.03922	9.6
128.98605	4.9
133.10149	4.3
135.11705	12.8
137.09511	4.6
149.51039	3.2
150.80685	3.0
153.12708	5.2
159.02921	3.6
165.09149	3.3
180.10217	5.8
191.14784	3.3
221.19034	17.5
291.03943	4.4
325.14456	8.2
355.14117	4.6
487.19385	100.0
488.19351	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	487.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05475	0.5
67.05462	0.7
69.03415	2.2
69.55144	2.1
79.05430	0.7
81.03368	1.5
83.04964	0.5
85.02856	1.0
91.05432	1.2
93.07011	0.8
95.04903	0.5
97.02843	1.5
97.06555	0.6
99.04401	0.5
99.80181	0.4
101.05942	0.5
109.02866	0.6
111.04368	0.5
112.09930	0.4
119.04894	1.2
127.03871	0.7
147.04401	8.6
153.06984	0.4
162.90237	0.4
163.03864	1.1
165.05440	0.4
201.03609	1.7
203.05249	0.8
275.07324	0.7
309.09756	0.5
325.16083	0.5
333.07889	62.5
334.08310	2.0
335.09460	20.1
336.09796	1.0
487.21478	100.0
488.21719	6.3
508.46429	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.5
55.01859	7.4
55.05500	19.4
55.58183	5.7
60.03033	5.3
61.63920	5.2
67.05497	21.9
69.03426	24.1
69.07064	29.0
69.16813	36.1
71.04995	22.7
75.12548	5.1
79.05487	34.1
81.03409	16.8
81.07056	89.6
83.04999	6.2
83.08607	11.1
83.86142	5.1
85.02911	30.8
85.06529	6.5
87.00807	9.4
91.05468	24.4
93.07048	52.4
95.04984	6.5
95.08596	37.8
97.02908	11.8
97.06522	34.5
97.10195	7.6
99.08136	8.0
105.01854	14.1
105.07035	37.7
105.81830	4.8
107.08607	65.3
109.02883	7.2
109.06509	5.7
109.10158	39.5
111.08131	5.7
115.03938	7.1
117.07042	6.2
119.08585	55.5
121.10126	19.8
123.11691	22.0
127.03915	13.1
127.11176	12.8
133.10120	39.8
135.11699	100.0
137.09630	5.9
137.13290	5.5
147.04541	7.7
147.11676	22.0
148.11971	5.2
153.12805	9.0
155.08641	7.3
159.11684	8.7
161.13316	8.8
163.03915	8.9
165.09131	18.2
197.09709	6.1
203.17949	53.6
215.07054	6.3
221.18983	21.4
227.07080	5.3
259.09686	14.4
282.86362	5.6
297.14902	10.4
325.14209	13.1
487.18066	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	487.254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12529	2.0
53.03946	3.2
54.24503	2.5
55.01874	3.5
55.05515	5.9
56.68965	2.3
57.03440	2.8
57.07104	2.4
63.06183	2.3
67.05492	7.4
69.03429	7.3
69.07066	6.8
69.14360	20.4
71.04977	3.1
79.05488	9.0
81.03413	7.3
81.07060	17.7
83.04996	3.6
84.26749	2.5
84.72604	2.2
85.02903	12.9
87.00838	2.9
91.05479	6.5
91.06454	2.3
93.07038	12.7
95.05010	2.8
95.08617	11.2
97.02872	6.5
97.06526	11.8
97.10171	2.4
98.97568	5.7
104.63717	2.5
105.07071	6.2
107.08593	12.1
109.02841	2.6
109.06532	2.7
109.10171	9.0
110.97533	2.6
111.08140	2.3
113.09618	3.8
115.05464	2.3
119.08607	5.7
121.10148	6.2
123.11713	7.6
127.03934	6.4
133.10143	5.2
135.11690	11.0
147.04417	10.3
147.11697	5.5
149.13269	3.4
151.11209	3.3
153.12828	2.6
159.11652	2.9
161.13304	4.1
165.09140	8.0
196.81950	2.7
201.09331	2.6
203.17935	3.1
221.19092	4.5
249.02946	3.7
325.14307	5.3
349.05298	6.9
487.19418	100.0
488.19666	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	487.29
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16197	5.0
55.05509	27.9
57.03425	11.3
57.07058	6.0
61.02922	10.5
67.05508	94.1
69.03428	6.9
69.07079	16.1
70.57253	10.8
71.05015	7.4
79.05495	80.3
81.03413	7.5
81.07055	100.0
83.04982	6.7
83.08578	8.5
85.02903	10.1
85.06544	10.6
91.05485	61.5
93.07046	84.1
94.07413	5.7
95.04985	14.2
95.08609	59.1
97.02932	6.0
97.06548	9.0
97.10162	7.5
99.08115	13.7
105.07041	37.7
107.08598	55.5
109.06488	5.8
109.10150	35.4
111.08118	7.3
113.09676	7.7
117.07025	18.5
119.08557	29.5
121.10130	53.5
123.11718	27.1
129.07021	6.7
131.08600	37.7
133.10120	27.5
135.08072	5.8
135.11703	66.4
145.10129	30.0
147.11720	18.2
149.13246	30.5
159.11752	23.4
163.11206	10.2
173.13283	26.8
187.14781	9.3
197.13261	6.8
205.19641	6.0
215.17929	60.6
233.19009	63.0
292.78165	5.2
307.22745	17.4
325.23895	6.6
469.27991	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	487.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	2.2
53.03942	10.6
55.01875	3.8
55.05509	21.6
57.03425	3.1
57.07055	1.0
65.03941	4.4
67.05503	72.5
69.03428	2.3
69.07064	14.1
71.04977	2.4
71.28835	1.2
73.06554	3.0
77.03922	1.9
79.05492	100.0
80.05828	1.3
81.03416	12.3
81.07055	53.8
82.07345	1.1
83.04978	17.7
83.08604	7.0
83.87102	0.8
85.02866	1.1
85.06519	3.3
87.04434	0.9
89.63344	0.8
91.05479	76.5
92.05795	1.8
93.07041	73.5
94.07375	2.2
95.04970	30.3
95.08607	37.9
96.05302	0.9
97.02901	1.3
97.06534	7.2
97.10162	4.7
99.08074	1.0
103.05475	3.1
105.04500	4.0
105.07027	57.3
106.07404	1.0
107.04957	8.4
107.08595	23.3
107.09293	1.6
109.06524	8.0
109.10151	6.0
111.08082	2.9
115.05468	1.8
117.07008	11.4
119.08578	35.8
121.06493	4.9
121.10146	6.3
123.08073	7.5
127.07548	2.8
128.06226	5.3
129.07004	22.5
130.07811	1.6
131.08585	6.3
133.06491	1.4
133.10130	15.1
133.82541	0.8
135.08040	2.2
135.11676	3.9
137.09628	1.9
141.06992	0.9
141.09079	1.5
142.07857	1.2
143.08554	10.7
145.10123	13.5
147.08076	4.2
147.11682	39.7
151.11107	0.9
155.08539	1.1
159.08063	1.3
159.11690	3.0
161.09647	5.3
161.13255	17.0
163.11200	3.2
169.10089	1.6
171.10205	1.6
171.11682	33.9
172.12071	2.2
179.14307	5.0
189.12741	17.4
207.13799	37.8
208.14168	1.7
225.14844	7.2
226.91203	0.8
233.15346	1.4
250.84137	1.0
263.16486	1.7
263.53088	1.0
281.17511	3.2
377.24573	1.0
469.29678	1.4
482.89212	0.9
487.30490	40.6
488.30917	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	488.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	5.8
61.20732	4.5
67.05489	10.2
68.99839	6.3
69.03436	10.4
69.07062	10.6
69.09052	22.4
69.09474	21.1
79.05487	23.4
81.07047	22.5
85.02891	9.7
91.05476	9.9
93.07047	5.1
95.04954	5.7
95.08589	6.1
97.02869	10.9
97.06518	58.7
98.23365	12.0
119.08514	8.8
123.11734	6.8
133.42871	4.9
137.05965	11.5
147.04388	14.2
161.02295	7.2
163.03888	22.7
173.02379	19.4
185.05984	7.8
195.08080	6.5
213.09152	6.5
215.07028	52.0
226.20679	6.1
233.07941	6.1
241.08533	14.0
259.09662	100.0
260.10092	8.0
273.11203	24.3
291.19394	6.3
299.83282	5.7
326.23340	6.0
403.13931	16.5
421.15100	8.9
435.16556	17.0
467.53589	5.3
470.24414	32.8
488.21463	18.3
489.17081	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	488.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03895	0.4
55.05452	0.6
56.04977	1.0
57.03397	0.4
58.06544	27.5
58.06861	2.3
59.07332	1.6
60.08110	2.7
60.51248	0.5
62.80196	0.4
67.05447	1.7
69.03366	1.4
70.06543	0.8
70.68604	0.8
71.14613	0.4
75.87777	0.4
79.05451	1.0
80.05019	3.3
81.03364	0.5
81.07021	0.6
81.72996	0.4
82.06584	4.3
83.04915	0.6
84.08137	2.9
85.02835	1.1
85.05229	1.2
86.02377	0.9
86.09676	0.7
91.05462	0.5
93.05737	1.0
93.06989	0.5
94.06568	29.5
94.07127	1.0
95.04895	0.6
95.08572	0.6
96.04435	0.4
96.08109	2.5
97.02846	1.2
98.09661	0.5
100.07618	20.5
105.06969	0.4
106.06510	0.5
107.04912	0.7
108.04440	0.5
108.08083	2.1
110.05976	0.7
110.09644	0.5
112.07552	0.6
117.06977	0.5
117.10254	12.7
118.07904	0.7
118.08651	8.8
120.08106	6.1
122.05998	2.4
124.07510	1.0
127.03914	0.6
128.07082	3.3
129.06961	0.4
129.10207	1.0
131.07300	0.5
132.08130	2.0
134.09659	3.8
136.07455	0.5
137.05841	0.5
138.09088	0.5
140.07008	0.8
143.11797	2.0
144.08018	1.8
146.09637	2.9
147.04282	0.8
148.11192	2.6
149.10672	1.8
152.06949	0.6
154.12280	0.5
155.11810	3.9
158.09573	1.4
160.07535	1.3
160.11217	14.2
161.10715	6.1
162.09085	0.7
163.03885	0.9
163.12283	3.8
164.07005	0.5
166.50221	0.4
167.46593	0.4
168.06491	0.9
170.08060	0.8
175.12276	2.9
176.10657	1.2
176.14386	0.7
178.12263	0.7
181.08456	0.7
181.13274	0.5
185.10670	0.7
186.09100	1.0
187.12270	1.0
188.10611	0.7
194.10429	0.5
203.11765	4.7
207.11253	2.5
221.12802	1.4
231.11281	1.2
245.08122	0.5
249.12343	33.4
250.12596	1.0
252.26915	0.4
255.12364	0.5
262.19073	2.2
266.59421	0.4
308.19672	100.0
309.20044	6.0
442.19653	0.5
470.19547	1.1
488.20547	1.4
488.26126	22.1
489.14478	0.5
489.26230	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.2
57.03445	8.5
57.07076	16.4
67.05181	1.9
67.05505	22.7
69.07085	7.8
69.56705	2.9
69.57106	4.5
71.08633	11.6
73.26007	1.4
74.13649	1.3
79.05499	1.6
81.07056	10.4
83.08610	3.6
83.49783	1.1
85.10184	8.8
87.87103	1.2
91.02072	1.1
93.07037	3.4
95.08609	100.0
96.08951	1.8
97.06549	3.2
97.10159	2.2
98.23306	2.5
99.11790	1.3
105.07026	2.0
109.10159	4.2
113.09644	1.3
123.08052	2.5
123.11658	1.7
141.09134	3.2
159.10159	13.8
215.12798	58.1
216.12965	2.1
239.23521	1.8
299.07397	1.2
313.27356	56.5
313.31006	2.8
314.27759	2.9
412.51178	1.3
453.35779	29.7
454.35989	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.5
55.05506	2.4
55.36847	0.3
56.05007	0.5
57.03435	6.0
57.07076	9.7
58.06600	41.0
59.04985	0.6
59.07384	11.9
60.08165	12.1
60.08455	0.4
61.31586	0.3
67.05503	6.6
69.07060	1.9
71.04964	0.4
71.08633	5.5
73.02882	1.0
75.04477	3.9
79.05502	2.2
81.07065	4.4
82.15873	0.4
83.08620	2.3
84.08150	0.5
85.02899	2.5
85.03342	0.4
85.10183	2.6
87.04460	4.3
91.05447	1.4
93.05491	0.5
93.07043	2.1
95.04957	0.4
95.08605	4.5
97.06506	0.6
97.10133	1.4
97.90585	0.4
98.23350	1.0
100.11255	0.5
102.05516	0.5
103.03924	0.7
105.05473	1.0
105.06998	1.3
107.08583	1.3
109.10152	4.4
113.05981	0.8
117.07010	0.5
119.08543	1.3
121.10107	0.9
123.11688	0.5
131.07063	2.7
131.08557	0.5
133.10103	0.9
144.09120	0.7
144.10196	10.6
145.10109	0.7
147.11603	0.6
159.06512	0.5
159.11740	0.3
162.11301	2.1
171.11670	0.4
173.11748	0.5
187.21802	0.4
200.12787	0.8
218.13882	0.8
236.14919	100.0
237.15213	2.9
327.28952	1.3
409.04666	0.4
426.39487	1.0
456.92892	0.4
470.38403	25.9
471.39233	1.6
488.39450	94.3
489.40649	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	489.285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.8
53.03938	14.3
55.01684	1.2
55.01873	14.0
55.05512	37.1
57.03433	7.1
57.07065	3.3
59.04992	3.4
65.03938	4.8
66.93475	1.3
67.05505	69.1
69.03424	3.2
69.07073	15.8
71.04994	9.0
71.29041	2.0
71.74485	1.3
73.06552	1.9
78.78134	1.4
79.05490	100.0
81.03422	22.1
81.07051	63.9
82.07421	1.6
83.01344	10.7
83.04977	25.5
83.08613	15.8
85.02913	4.0
85.06540	3.4
91.05479	84.9
92.05791	1.9
93.07040	92.3
95.04964	31.3
95.08604	35.9
97.02872	3.5
97.06527	9.1
97.10165	5.9
98.98467	1.5
99.04440	4.3
103.05463	2.7
105.04548	4.1
105.07027	51.6
105.96455	1.7
107.04958	18.9
107.08600	34.7
109.06509	12.4
109.10158	7.4
111.04458	4.1
111.08057	5.5
115.05473	3.9
117.07014	19.0
119.08575	36.0
121.06487	6.4
121.10139	14.4
123.08078	14.6
125.05997	2.0
125.09654	3.2
127.07568	1.8
128.06238	4.1
129.06999	21.6
130.07756	3.1
131.08568	8.3
133.06500	1.9
133.10136	12.3
135.08086	3.2
135.11676	16.9
137.09644	2.1
139.07478	1.9
139.11264	1.6
143.08546	12.7
145.10126	26.0
147.08018	4.7
147.11679	40.3
149.09576	1.8
151.07555	1.8
153.12752	4.1
155.08592	2.1
159.11708	2.9
161.09596	5.5
161.13237	13.1
163.11177	29.8
164.11569	1.3
171.11673	31.5
172.12073	1.6
173.09546	1.6
177.12845	1.6
179.14290	1.9
181.12247	4.6
189.12753	12.4
191.10666	6.5
207.13795	31.5
209.11707	6.7
209.13425	1.7
225.14876	3.5
227.12717	6.6
265.14374	2.4
281.17432	4.9
325.93472	1.5
471.27356	2.9
489.28375	65.6
489.34698	3.8
490.28583	4.1
511.05661	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.2
53.61802	0.2
55.01871	0.3
55.05505	1.5
57.03428	0.3
57.07071	0.3
60.72652	0.2
65.03945	0.2
67.05502	5.4
67.54749	0.2
69.00789	2.0
69.03414	0.5
69.07063	0.9
71.04977	0.6
78.95850	0.2
79.05473	1.4
81.03410	0.5
81.07061	4.0
83.04983	1.0
83.08621	0.5
85.02905	0.3
85.06544	1.6
91.05476	1.7
93.07050	1.9
95.04961	0.9
95.08605	8.1
97.06533	1.2
97.10165	0.5
99.04460	0.6
101.06001	0.5
101.58719	0.2
105.07046	1.0
107.04907	0.6
107.08584	1.6
109.06525	0.6
109.10152	6.5
111.08065	0.7
113.06006	0.8
113.09623	1.1
117.07011	0.4
119.08586	3.3
120.08933	0.3
121.06522	0.4
121.10114	1.0
122.07274	2.0
123.08084	1.9
123.11707	2.9
125.09608	0.8
127.03961	0.4
129.06972	0.2
129.09096	1.1
131.08517	0.3
133.10110	0.5
135.08046	0.5
135.11703	0.6
137.05939	0.3
137.09615	12.6
137.13200	0.4
138.09955	0.3
141.09102	2.7
143.08678	0.2
143.10674	0.2
145.10112	0.4
147.04364	0.3
147.11691	0.6
149.09604	3.5
149.13245	0.3
151.07532	2.0
153.09074	0.3
155.10710	0.3
157.08633	1.0
157.10083	0.2
159.11665	0.6
161.09628	0.3
161.13261	0.4
163.11249	0.4
165.09108	100.0
166.09427	2.7
169.08606	0.8
173.09520	0.3
174.10272	0.3
175.11116	1.4
177.09073	0.4
183.10245	0.3
187.09641	1.4
187.11218	0.5
189.09114	0.3
189.12743	1.0
191.10722	0.5
199.11157	0.2
201.12767	0.4
203.10660	1.5
203.14352	0.5
205.12228	1.8
205.68005	0.2
241.08478	0.2
273.22223	0.4
279.23169	0.2
291.23212	0.9
307.22784	0.3
315.19553	0.2
317.21115	0.4
319.22650	0.5
325.23718	0.4
337.23639	2.1
366.95441	0.2
392.05325	0.5
415.21158	0.2
425.30295	0.9
443.31516	0.5
471.31082	0.6
489.11691	0.5
489.25125	0.3
489.31995	0.8
490.11807	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95214	0.2
53.03945	0.3
53.60424	0.2
55.01869	0.8
55.05513	1.5
56.96535	0.2
57.03426	0.4
57.07062	0.3
57.21116	0.2
61.66491	0.2
65.03910	0.3
67.05508	4.8
69.01716	0.2
69.03448	0.5
69.07074	1.4
71.04985	0.8
71.29140	0.3
77.03940	0.3
79.05479	1.9
81.03428	0.5
81.07056	4.6
83.04972	1.4
83.08617	1.0
85.02913	0.5
85.06539	1.3
91.05466	1.7
93.07045	2.0
95.04960	1.0
95.08610	6.0
97.02882	0.6
97.06537	1.6
97.10161	0.5
98.66826	0.2
99.04449	0.5
105.07028	1.5
107.04955	0.3
107.08608	2.1
109.06550	0.7
109.10157	6.4
111.04454	0.4
111.08076	2.2
111.11725	0.4
113.05999	0.9
113.09633	0.8
117.06980	0.4
119.08588	3.4
121.06483	0.8
121.10131	1.4
122.07313	1.5
123.08080	1.4
123.11703	3.6
125.09628	0.7
129.09111	2.4
131.08569	0.7
133.10106	1.0
135.08072	0.9
135.11699	0.5
137.06038	0.4
137.09613	11.3
137.83867	0.3
139.07523	0.4
141.09087	2.1
143.08583	0.4
145.10101	0.7
147.04437	0.3
147.07938	0.4
147.11713	1.0
149.09619	2.6
149.13281	0.6
151.07542	1.5
151.11235	0.3
153.09073	0.7
155.10658	0.4
157.08606	2.8
157.10016	0.4
159.11717	0.7
161.09581	0.3
161.13274	0.6
163.03873	0.3
163.07518	0.7
163.11232	0.4
163.14822	0.6
165.09116	100.0
166.09457	3.2
169.08655	0.9
173.11804	0.4
173.13219	0.4
175.07658	0.3
175.11162	0.9
177.09131	1.2
177.12900	0.3
179.10672	0.4
181.08676	0.4
185.25633	0.2
187.09642	1.3
187.11177	0.5
189.09099	0.3
189.12767	0.8
190.09915	0.5
191.10641	0.4
191.14311	0.3
201.09253	0.3
201.11069	0.4
201.12766	0.3
203.10674	1.4
203.14250	0.6
205.12244	5.0
207.10263	0.3
207.13753	0.4
209.11667	0.3
233.12022	0.2
241.08363	0.4
267.13629	0.6
279.23227	0.4
291.22974	0.8
299.20084	0.4
307.22672	0.7
317.21048	1.9
319.22675	0.8
325.23727	0.4
327.15607	0.3
337.23773	1.7
443.31436	0.5
471.30728	0.5
489.11655	0.5
489.24438	0.5
489.32266	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53957	2.2
69.03431	13.4
69.20619	17.2
75.08198	2.5
78.78605	2.1
79.05499	4.9
81.03442	4.2
85.02916	7.4
89.03933	4.3
91.05518	7.3
93.07053	6.0
97.02896	7.0
98.22577	2.8
99.04447	5.2
105.07020	12.3
107.04981	8.7
107.08597	18.4
117.03400	3.5
117.06987	3.0
119.04974	2.8
119.08577	4.6
121.10168	4.1
123.11664	2.4
127.03931	3.4
131.08566	14.9
133.06491	5.6
135.04414	11.3
137.09627	2.4
145.02841	7.6
147.04446	15.3
147.11702	6.1
149.09593	4.5
161.13313	7.0
163.03905	100.0
164.04214	3.9
174.86867	2.4
189.12724	21.2
207.13766	9.7
214.49870	2.6
325.09161	3.9
405.26068	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	490.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.4
55.05505	8.2
57.03439	2.5
63.49886	1.9
64.43387	2.0
67.34354	1.9
69.03435	15.3
69.63605	2.1
70.70264	3.2
70.70607	3.5
71.04990	3.7
81.03410	9.1
83.04987	14.3
85.02892	10.4
87.04482	2.5
91.05482	5.7
95.14159	2.2
95.95956	1.9
96.04476	3.8
97.02891	15.5
99.04442	6.7
107.04975	5.8
109.02872	3.9
111.04442	91.6
115.03914	2.6
118.87198	2.3
119.04922	16.0
123.04447	12.4
127.03948	9.7
135.04419	3.7
137.05914	2.0
139.03873	3.3
145.05042	2.3
147.04413	100.0
148.04730	3.5
159.62848	1.9
163.03909	24.7
165.05495	6.4
205.07120	3.9
291.08719	2.5
309.09644	15.0
325.09119	9.2
328.15018	2.5
446.37067	2.1
490.14944	2.8
491.21274	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.0
69.03445	15.1
69.24200	2.1
71.29802	3.2
79.05508	3.9
79.10719	1.8
82.06519	2.1
83.05010	2.3
85.02922	7.8
89.03967	3.2
91.05492	5.5
95.04986	3.0
97.02920	5.4
99.04468	5.2
105.07055	12.8
107.04975	10.4
107.08616	10.2
109.56252	1.9
113.05988	2.6
117.03413	3.4
117.07030	1.9
119.04979	5.0
119.08591	9.6
121.10158	2.7
122.60039	2.1
127.03939	3.4
131.08582	12.6
133.06511	5.9
135.04398	11.1
145.02879	8.9
145.10191	4.0
147.04416	14.8
147.11720	7.7
149.09668	4.0
154.39304	2.1
161.13309	10.5
163.03925	100.0
163.11198	3.6
163.42622	2.0
164.04274	2.7
171.11713	2.9
189.12773	19.2
207.13887	9.1
211.92882	2.3
222.51955	2.2
278.36710	2.2
310.27649	2.0
325.09164	3.7
367.19196	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	7.7
62.22319	4.6
63.95981	5.2
67.05518	6.7
69.03423	25.6
69.28488	30.8
70.06586	9.0
79.05504	10.2
81.03425	11.5
83.05000	7.4
85.02902	20.1
86.06055	8.6
87.04485	13.7
91.05470	17.8
97.02916	21.1
97.06513	13.7
98.06072	5.5
99.04453	6.9
107.46593	4.4
113.06049	7.9
113.40828	4.6
119.04959	20.4
119.68259	4.5
127.03922	10.0
133.06516	5.4
137.06038	9.4
147.04424	100.0
148.07573	6.0
163.03893	45.4
165.05507	6.5
166.08704	5.9
204.10109	6.5
207.13902	6.6
260.09229	7.9
278.10165	11.1
280.11499	4.9
296.11325	9.4
299.13953	9.4
310.27472	6.2
315.13452	14.2
316.14136	27.4
325.09079	6.4
458.16611	44.7
489.30157	6.2
490.23062	9.2
490.30728	11.6
491.16229	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	490.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.4
55.01870	10.0
55.05518	10.0
57.03450	3.7
57.99061	2.7
61.02932	5.2
64.53214	2.7
64.72446	2.9
67.05504	20.2
69.03426	16.5
69.07095	3.9
69.16710	20.4
70.06608	5.6
71.04996	11.1
79.05495	15.4
79.41375	2.7
81.03425	23.0
81.07074	11.5
83.04984	4.6
83.08611	3.7
83.93739	2.6
84.04459	2.6
85.02913	36.9
85.06569	5.1
86.32695	3.1
87.00836	19.6
88.07645	3.4
91.05482	28.2
93.07063	9.4
95.04982	11.5
95.08609	11.1
97.02899	25.8
97.06544	8.9
99.04463	10.4
105.01883	10.0
105.03390	20.1
105.07026	20.9
107.04965	65.5
107.08601	9.6
109.02885	18.3
109.03572	3.5
113.06061	4.2
117.07021	13.5
119.05000	4.6
119.08587	18.7
121.02898	6.8
121.10204	5.5
127.03928	28.5
128.06216	4.6
131.08600	7.3
133.06506	8.0
133.10133	28.4
137.05977	7.0
137.09633	8.6
143.08578	13.3
145.04968	14.9
145.06503	17.4
147.04352	3.4
147.08078	8.1
149.13318	3.0
151.07497	3.0
159.02925	10.2
159.08134	3.6
159.11749	5.7
161.06024	4.1
161.09636	100.0
163.11189	7.2
165.09129	74.5
165.10471	4.7
166.09563	6.2
171.08029	16.6
173.09787	3.3
173.13194	3.2
179.10736	8.3
181.12238	4.3
188.17218	2.8
189.09114	76.2
190.09444	4.3
198.36099	2.8
205.12248	5.1
207.10091	20.8
215.05205	3.1
225.11238	30.1
231.05045	4.1
258.71585	3.3
489.34323	3.6
490.34656	7.1
491.22116	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	490.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60602	1.9
55.01846	2.3
55.83917	1.9
62.83622	2.0
66.58133	2.1
66.61081	1.9
67.05489	2.0
69.03427	9.0
70.26103	1.9
79.05501	8.2
81.03401	4.6
81.07038	2.6
85.02903	18.2
87.00848	5.8
91.05483	22.7
93.07044	19.0
95.04955	3.3
95.08607	6.9
97.02876	3.7
98.22540	3.6
105.01868	8.9
105.07037	12.3
107.08596	100.0
109.02898	3.7
109.06544	5.2
113.35265	2.1
117.06995	2.1
119.08558	7.4
121.06517	4.3
121.10128	11.2
123.11735	3.0
127.03931	8.0
127.07537	2.3
130.39690	2.1
131.08568	83.4
132.08939	2.8
137.09631	5.8
140.57083	2.1
145.04938	4.1
145.10153	4.9
147.11678	16.3
149.09599	18.9
156.09474	2.1
158.65233	2.2
163.03706	2.1
171.11778	4.0
189.12738	52.0
190.13069	3.5
207.13791	28.7
213.03925	2.7
231.04985	3.6
366.84491	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	490.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01872	2.6
55.05496	0.5
57.03437	2.9
59.05017	0.7
61.02916	1.1
67.05498	1.6
68.99788	1.1
69.03431	11.3
70.28307	0.5
70.56867	1.3
71.04969	1.3
73.02916	1.9
79.05479	1.0
81.03419	8.0
81.07044	1.4
81.11511	0.6
83.04970	3.1
85.02906	27.4
86.03242	0.7
87.00835	11.2
87.04465	1.6
91.05466	0.6
93.07030	1.5
95.04955	1.7
95.08609	2.4
97.02892	12.9
97.06537	1.5
99.04474	3.5
99.08089	2.2
105.01868	10.6
105.07030	0.8
107.08591	1.7
109.02879	7.8
109.06523	5.3
111.04446	2.0
115.03923	1.6
117.01826	1.0
119.08577	2.1
121.06519	1.8
121.10138	3.5
123.08067	100.0
124.08390	2.6
125.09702	0.6
127.03912	16.2
128.84882	0.5
129.01831	1.0
133.04979	3.1
133.10156	0.8
135.11708	0.7
137.09589	0.8
145.04962	8.5
147.08060	0.5
147.11732	0.9
149.09619	5.5
151.11165	1.6
159.02895	4.5
161.09612	0.6
161.13307	0.8
163.11174	2.0
167.10657	2.1
181.12242	11.8
187.03934	0.8
189.12703	1.4
205.12311	0.8
207.13826	9.1
213.03906	0.9
225.14853	31.7
226.15190	1.1
231.05017	4.0
236.14925	2.3
237.09225	1.0
249.06213	0.7
389.83176	0.5
437.18402	0.6
440.26068	0.7
463.04416	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.1
55.05504	6.2
58.11800	1.7
60.71581	1.6
62.63057	1.7
67.05494	4.2
69.03419	2.3
69.04610	14.0
69.07050	6.3
71.05005	4.7
79.05489	4.9
81.07054	4.3
85.02901	2.0
91.05472	11.9
93.07037	5.4
95.04966	4.3
95.08585	1.9
97.02850	2.2
97.06545	2.5
98.23434	2.1
99.04445	17.1
103.05456	3.1
105.06387	3.6
105.07030	36.3
107.08580	11.2
109.06511	2.2
109.10127	3.2
111.08065	1.8
117.07001	2.3
119.08575	95.5
120.08876	5.1
121.10119	3.7
123.08080	2.6
127.03988	2.1
131.08681	2.5
133.10127	22.3
137.09599	4.5
145.10092	4.7
147.08078	3.8
147.11679	100.0
148.12083	3.7
151.07573	5.4
161.13246	30.6
165.09090	37.4
189.12784	12.8
207.13795	65.7
208.14230	4.2
215.07127	2.0
246.25261	1.9
358.15030	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.4
55.01866	12.9
55.05513	20.2
59.04981	5.7
63.92321	3.4
66.09978	3.3
67.05510	34.7
69.03427	12.9
69.07063	8.6
71.04981	6.4
71.29849	5.3
79.05496	22.7
81.03420	36.5
81.07059	28.9
83.01330	10.8
83.04986	14.1
83.08605	18.0
84.86838	2.9
85.02914	17.9
85.06548	24.3
91.05482	16.1
92.72921	3.0
93.07037	24.3
95.04967	12.8
95.08636	22.2
96.08937	5.3
97.02879	14.0
97.06535	17.6
97.10181	10.0
99.04463	6.6
105.07037	20.7
107.04939	11.0
107.08602	19.8
109.02890	17.4
109.06510	9.6
109.10157	9.7
111.04430	7.6
117.07018	12.5
119.08586	22.5
120.11300	3.2
121.06521	5.7
121.10135	13.3
123.08080	14.8
125.09612	6.0
127.03926	21.5
129.06926	3.5
131.08562	13.3
132.36873	3.3
133.10115	10.1
135.08026	3.9
135.11691	17.4
137.09604	12.2
138.09984	7.3
139.07504	4.0
140.10683	4.0
141.09111	6.1
142.09489	3.8
145.04938	6.1
145.10129	18.3
147.04385	3.3
147.08034	5.8
147.11687	8.5
151.07527	4.4
161.13165	6.1
163.11176	38.2
165.09125	100.0
166.09464	55.2
173.09647	5.4
181.12236	7.8
189.09225	5.2
189.11122	5.8
191.10663	10.4
203.10808	3.4
207.13834	5.6
209.11717	37.7
227.12782	38.5
242.94670	3.9
293.17493	4.6
353.15918	25.7
371.17041	7.0
381.20679	6.4
447.23218	4.0
490.11386	3.7
491.20139	9.6
491.26364	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	490.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.3
54.43586	1.9
55.01875	19.6
55.05509	36.1
57.03440	13.4
57.07072	7.1
59.04997	5.6
61.02925	2.6
63.04799	2.1
65.03918	3.8
67.05503	38.0
68.05856	3.1
69.03098	2.4
69.03423	13.1
69.07063	13.5
71.01357	4.1
71.05000	9.7
71.31109	1.8
73.02914	1.8
79.05493	42.9
81.03413	29.8
81.07053	37.1
83.01340	15.8
83.04981	23.9
83.08617	29.4
85.02903	32.4
85.03382	3.0
85.06541	90.2
85.31560	2.0
86.06087	2.4
91.05479	34.2
93.07040	46.4
93.07629	2.9
95.04976	20.3
95.08601	21.9
97.02885	15.7
97.06513	17.7
97.10164	6.9
99.04460	6.7
105.07028	22.1
107.04949	20.5
107.08599	22.8
109.02863	4.5
109.06519	13.2
109.10175	7.4
110.88594	2.0
111.04440	7.8
111.08068	3.8
111.30326	2.1
116.10720	3.7
117.07021	14.9
119.04918	2.8
119.08578	20.0
121.06511	12.7
121.10135	15.7
123.04483	2.5
123.08075	19.3
124.74739	2.1
125.05996	3.2
125.09617	4.6
127.03911	9.0
128.04271	1.8
128.06285	2.4
129.07048	3.1
129.22006	1.8
131.04929	3.1
131.08559	13.4
133.10150	7.3
135.04369	2.0
135.08060	7.7
135.11687	28.3
137.09602	4.7
139.07535	3.2
143.08569	4.8
144.53944	1.9
145.04958	5.2
145.06523	3.8
145.10109	33.8
146.10493	2.1
147.04428	8.5
147.08076	6.4
147.11752	3.8
149.09575	4.0
151.07558	2.1
151.11176	2.7
153.12735	6.3
155.08577	6.4
157.10135	2.8
159.08005	3.2
163.11174	65.5
173.09607	10.8
181.12225	17.5
183.11630	2.1
189.09096	4.8
189.11139	2.8
191.10683	16.3
200.45332	2.0
209.11722	100.0
222.30629	1.9
227.12762	73.8
228.13173	2.8
233.70116	2.3
243.21021	2.1
275.16425	6.7
285.14960	2.1
293.17441	36.1
306.55344	2.0
315.19568	5.4
318.57794	1.9
328.25009	9.3
329.13815	2.6
341.27353	2.8
353.21194	2.6
381.20621	4.8
391.56229	2.1
399.21497	3.8
434.27936	1.9
460.15778	1.8
473.25424	4.8
491.27097	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	490.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.2
55.01880	5.4
55.05512	12.0
57.03455	3.6
57.07080	4.5
59.05025	2.4
65.03960	1.9
67.05501	19.4
69.03433	4.1
69.09649	8.6
69.10071	5.0
71.04996	3.0
79.05478	11.9
79.73061	1.4
81.03413	9.3
81.07053	12.3
83.01342	7.7
83.04984	8.1
83.08613	11.3
85.02904	11.8
85.06546	100.0
91.05488	10.8
93.07050	16.4
95.04985	5.5
95.08614	7.1
97.02901	4.6
97.06535	3.7
99.04463	3.0
105.07086	7.6
105.07674	1.6
107.04973	5.5
107.08628	8.6
108.99050	1.6
109.02929	1.7
109.06531	3.3
109.10111	2.1
111.04455	2.5
111.08101	1.6
117.07030	5.9
119.08598	7.0
119.39954	1.5
121.06532	2.0
121.10153	6.9
123.08070	5.9
125.09619	3.5
130.07840	2.4
131.08595	3.2
133.10161	3.5
135.08060	2.9
135.11700	8.7
145.10114	10.4
147.08055	3.0
153.09157	1.7
153.12775	2.1
163.11185	24.7
173.09618	4.5
181.12260	5.2
191.10701	3.6
194.32013	1.7
209.11748	37.2
210.12059	1.7
219.39696	1.6
223.13388	2.4
227.12793	37.4
233.46788	1.7
275.16510	3.4
281.17593	1.8
293.17496	19.3
491.26639	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	491.1184
Annotation	Kaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.03947	2.7
53.23372	0.3
55.01868	0.7
57.03440	0.7
61.02908	0.7
65.80523	0.3
68.99782	0.5
69.03429	8.6
69.16979	0.8
69.17384	1.3
70.98977	0.3
71.04987	1.0
73.02901	0.9
79.05498	0.3
80.05017	2.1
81.03416	10.8
85.02908	4.1
87.04459	1.5
97.02879	5.0
99.04442	1.7
102.51217	0.3
107.04996	0.4
109.02879	7.7
111.00841	0.6
121.02870	2.9
127.03911	6.0
133.02866	0.4
137.02322	0.6
145.04915	0.8
147.04398	0.8
153.01819	4.6
157.06459	0.5
165.01845	1.7
166.08632	4.5
183.02855	0.6
185.05916	0.5
187.06027	5.9
213.05505	1.4
231.06456	0.7
232.95801	0.3
236.14769	0.3
241.04948	1.1
258.05170	1.0
259.06076	0.5
287.05481	100.0
288.05801	4.9
356.59610	0.3
403.26416	0.3
459.10245	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
55.01854	0.3
58.07861	0.2
63.49005	0.2
69.03407	0.7
71.29996	0.3
73.02919	0.2
79.05497	0.3
81.03424	0.7
85.02905	2.0
87.00824	0.6
91.05482	0.4
97.02890	0.7
98.47058	0.2
99.04456	0.4
102.02579	0.2
105.01853	0.3
107.08588	0.2
109.02865	0.9
118.06555	0.2
127.03093	0.3
127.03906	1.4
129.01790	0.2
130.06555	0.4
134.23343	0.2
143.44658	0.2
145.04965	0.7
145.07610	1.5
152.49135	0.2
157.06374	0.4
159.02866	0.7
170.07117	1.6
172.08694	20.1
173.09074	0.4
174.10396	0.3
176.84348	0.3
190.09723	0.7
197.08148	0.4
198.06635	6.1
199.09819	0.3
200.08167	3.1
215.06816	0.3
216.07681	15.8
217.07906	0.4
218.09270	0.4
243.08763	100.0
244.07071	0.6
244.09174	3.7
255.10210	0.3
284.33102	0.2
431.19583	0.3
491.22107	0.5
491.29745	0.7
511.50027	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.9
53.03945	9.9
54.52107	1.0
55.01873	30.9
55.05512	61.1
57.03196	1.2
57.03440	14.4
57.07067	3.6
59.05009	7.5
65.03941	6.5
67.05504	63.4
68.05823	1.0
68.99825	0.8
69.03442	4.3
69.06734	1.3
69.07072	17.3
69.56400	3.7
71.01350	5.5
71.04984	13.7
73.02897	0.8
75.71449	0.8
77.03892	1.1
79.05492	87.4
80.05836	1.3
81.03418	38.8
81.07054	72.1
83.00844	0.8
83.01345	22.6
83.04982	48.3
83.08621	24.9
85.02906	8.4
85.06552	4.2
91.05481	66.4
92.05814	1.4
93.07044	93.8
94.05890	0.8
94.07362	2.2
95.01324	0.9
95.04965	31.7
95.08607	31.9
96.08964	1.2
97.02895	11.5
97.06526	17.4
97.10183	5.9
98.22667	1.0
99.04469	10.5
99.08079	1.6
103.05462	5.1
105.04525	3.0
105.07030	39.5
106.07355	1.2
107.04955	38.2
107.08593	47.7
108.08974	0.8
109.02871	3.1
109.06516	21.5
109.10142	8.8
111.04443	27.5
111.08073	7.7
111.11729	1.3
113.06031	1.6
115.05424	4.8
117.07021	32.3
119.04884	1.0
119.06092	0.9
119.08577	32.1
121.06513	11.8
121.10137	26.7
123.04409	4.7
123.08070	23.2
123.11698	1.8
125.06001	5.7
125.09605	6.6
128.06219	2.8
129.07002	8.3
130.07788	5.9
131.04926	3.6
131.08568	13.5
133.06548	1.5
133.10144	7.4
135.04370	1.0
135.08040	8.3
135.11687	45.3
137.06042	1.1
137.09593	4.7
139.07550	2.3
140.46986	0.8
141.06941	1.2
143.08568	4.8
145.06491	6.4
145.10120	59.3
146.10448	2.0
147.04442	0.9
147.08031	8.8
147.11713	2.4
149.06013	2.3
149.09634	3.3
151.07536	1.2
151.11159	1.5
153.06989	1.3
153.09073	1.0
153.12758	12.4
155.08536	6.6
158.07346	0.9
161.09608	1.1
163.03937	1.3
163.11179	100.0
164.11536	2.5
165.09180	2.0
169.08670	1.9
172.58629	0.9
173.09624	18.1
181.12247	16.1
189.11244	1.2
191.10680	20.3
209.11726	65.1
210.12138	1.8
227.12784	24.0
247.13458	1.8
265.14301	4.4
283.15311	5.4
290.52155	0.9
381.20786	1.1
399.21808	2.2
427.32147	1.1
464.53433	0.9
473.25439	2.8
491.26370	89.7
492.26599	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	491.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.8
53.03947	9.5
55.01874	32.7
55.05513	55.0
56.05839	1.4
57.03438	10.6
57.07071	3.2
59.05003	9.6
65.03944	4.4
67.05506	43.1
69.03419	3.0
69.07071	14.1
70.34643	1.4
70.34985	2.1
71.01352	6.1
71.05006	9.9
73.02912	0.9
73.06558	1.0
77.03924	1.7
79.05495	70.2
80.05824	1.4
81.02929	1.8
81.03419	37.6
81.07059	57.1
83.01344	24.7
83.04983	41.1
83.08617	27.6
85.02908	11.4
85.06548	1.6
91.05482	57.0
92.05807	1.1
93.07044	82.4
93.92429	0.9
94.07369	1.5
95.04973	25.0
95.05562	1.9
95.08606	21.5
97.02878	6.9
97.06535	14.7
97.10164	4.6
99.04460	8.0
103.05476	3.1
105.04528	2.9
105.07029	32.5
107.04957	28.5
107.08598	40.0
109.02908	1.2
109.06524	20.7
109.10139	5.4
111.04456	8.9
111.08071	6.8
111.11652	1.0
115.05463	3.2
117.07021	27.9
119.08588	28.6
121.06522	11.0
121.10146	24.1
121.11016	1.2
123.04414	2.1
123.08069	25.7
125.06004	6.4
125.09654	4.0
128.06230	1.5
129.07042	5.1
130.07777	6.0
131.04924	2.0
131.08562	10.5
133.10088	4.6
135.08086	6.1
135.11696	40.2
137.05968	1.3
137.09593	5.4
139.07556	2.0
139.11205	1.0
143.08597	2.7
145.06493	2.5
145.10118	52.5
146.10492	1.9
147.08073	7.4
147.11690	1.8
149.05948	1.3
149.09644	2.6
151.11201	1.3
153.11610	1.6
153.12737	12.9
155.08533	5.8
163.11185	100.0
164.11546	1.8
165.09180	1.6
173.09590	14.2
181.12230	13.5
191.10667	10.6
192.11130	0.8
209.11723	30.4
227.12794	13.2
265.14392	1.3
283.15381	1.0
304.51364	0.9
365.69748	0.9
368.94180	1.0
458.65533	0.9
459.56635	0.9
491.26395	85.7
492.27039	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	491.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.7
51.02374	1.2
53.03944	6.8
55.01607	1.3
55.01871	34.4
55.05511	50.8
57.03437	10.3
57.07075	3.2
59.05001	8.5
63.10178	0.6
65.03939	3.6
66.98441	0.6
67.05504	43.5
68.05811	0.8
69.03423	4.5
69.06739	0.8
69.07069	11.1
71.01032	0.5
71.01357	4.7
71.04992	12.4
71.30271	0.8
71.30659	1.2
73.06557	0.9
77.03915	1.5
79.05491	71.7
80.05801	1.3
81.03416	35.9
81.07053	52.7
82.03760	0.8
82.07393	1.1
83.00838	0.8
83.01340	25.3
83.04977	41.3
83.08617	29.1
85.02909	10.1
85.06509	3.0
91.05478	54.2
92.05816	1.2
93.07041	77.5
94.07376	1.3
95.04966	22.9
95.08602	21.2
97.02887	7.7
97.06528	13.8
97.10179	4.9
99.04465	8.4
99.08083	1.3
103.05485	3.7
105.04531	3.1
105.07029	31.9
106.07358	1.0
107.04950	27.9
107.08588	38.7
108.08887	1.0
109.02924	1.3
109.06523	20.4
109.10143	6.2
111.04447	9.5
111.08078	5.0
111.11736	1.0
115.05434	3.5
116.06241	0.9
117.07011	24.2
119.06103	0.7
119.08577	25.5
120.08836	0.9
121.06499	12.2
121.10144	25.8
123.04389	1.7
123.08063	25.5
123.11710	1.0
125.05996	6.6
125.09601	5.0
128.06216	1.1
129.07001	5.7
130.07802	5.4
131.04921	2.0
131.08572	11.3
133.06464	0.8
133.10129	6.2
135.04382	1.3
135.08058	6.3
135.11690	40.5
136.11942	0.8
137.08748	0.7
137.09630	4.8
139.07530	2.7
139.11194	0.8
143.08557	3.4
145.06476	2.5
145.10114	50.4
146.10475	1.8
147.08047	7.1
147.11632	1.2
149.05957	1.6
149.09618	2.7
149.97688	0.7
151.11160	1.1
153.09119	0.8
153.12744	15.8
155.08559	5.3
158.07153	0.6
161.10863	0.7
163.11174	100.0
164.11543	2.6
165.09114	1.2
173.09616	12.2
181.12221	16.2
182.12637	0.7
191.10652	11.5
199.13120	0.7
209.11723	26.3
210.11926	0.9
227.12767	14.3
265.14453	1.0
281.17374	0.8
283.15323	1.5
491.26346	75.4
492.26630	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	491.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.4
55.05510	1.0
57.03437	2.8
57.07074	0.4
59.38848	0.2
65.03939	1.4
67.05505	1.7
68.05847	0.2
69.07060	1.0
69.96093	0.7
72.25880	0.2
75.04465	0.6
79.05515	0.9
79.05889	0.3
81.07047	2.6
83.04958	0.2
83.08624	0.9
83.58396	0.2
91.05479	11.6
92.05811	0.2
93.07028	1.2
95.04971	0.6
95.08599	1.8
97.10184	0.2
103.03937	1.2
105.07046	0.5
107.04939	0.7
107.08575	0.6
109.10153	0.8
117.07001	0.3
117.47028	0.2
119.04942	23.9
119.08597	0.4
120.05282	0.6
121.10159	0.4
123.08080	0.3
133.10136	0.4
135.11714	0.4
147.04405	100.0
148.04733	2.8
165.05501	1.5
219.06529	0.6
221.08122	0.5
249.48361	0.2
263.07126	0.2
283.85947	0.2
292.44382	0.2
327.24948	0.3
345.26740	0.2
424.12128	0.2
473.28912	0.5
491.30109	5.2
492.32431	0.6
492.40378	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55753	0.1
53.03933	0.2
55.01866	0.2
55.05516	0.8
57.03436	2.1
65.03930	1.2
67.05508	1.6
69.07078	1.1
71.04997	0.1
71.14288	0.2
75.04485	0.3
78.68911	0.1
79.05479	1.0
81.07067	1.9
83.05003	0.2
83.08624	0.6
91.05486	11.1
92.05817	0.3
93.07070	0.9
95.04980	0.2
95.08612	2.3
97.06536	0.3
97.10162	0.2
103.03956	1.3
105.07042	0.6
107.04971	0.4
107.08592	0.3
109.10178	0.6
117.06992	0.2
119.04948	24.0
119.08579	0.4
120.05288	0.4
121.10126	0.4
123.11730	0.2
131.08580	0.2
133.10156	0.3
135.11707	0.3
145.10092	0.4
147.04413	100.0
148.04742	2.7
152.88776	0.1
161.13297	0.3
163.11195	0.2
165.05450	1.0
203.51337	0.1
213.24814	0.1
215.12712	0.3
221.08128	0.5
242.10678	0.1
317.31921	0.2
345.26413	0.2
367.26169	0.2
372.39859	0.2
473.28766	0.2
491.30130	6.5
492.30670	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81945	0.4
53.03955	0.6
55.01870	0.8
55.05513	2.7
56.75529	0.4
57.03440	0.4
65.03939	0.7
67.05505	5.6
69.03436	2.2
69.07054	1.3
71.04965	0.7
71.29532	0.6
79.05486	2.6
81.03399	1.4
81.07049	4.6
83.04981	2.3
83.08632	0.9
85.02913	2.6
85.06548	0.6
87.00843	0.9
89.79146	0.3
91.05474	2.7
93.07019	2.6
95.04945	1.5
95.08606	3.7
97.02895	1.5
97.06515	3.0
97.10172	0.7
99.04423	0.7
99.08118	0.5
101.06004	1.1
105.01861	1.1
105.07029	1.8
107.04912	0.8
107.08585	2.4
109.02899	0.8
109.06502	0.7
109.10159	6.8
111.04442	0.8
111.08102	0.4
113.09631	0.7
117.06931	0.8
119.08582	3.8
121.06475	0.5
121.10133	1.4
122.07287	2.2
123.08042	1.1
123.11703	1.4
125.01539	2.0
125.09608	0.6
127.03896	1.6
127.11224	0.5
128.06177	0.5
129.07011	0.8
131.08632	0.9
133.06535	0.4
133.10103	1.3
135.08066	0.7
135.11725	0.9
137.09616	13.2
137.13263	0.6
141.07024	0.4
145.04971	0.8
145.06450	0.6
145.10129	0.9
147.08043	0.5
147.11636	0.5
149.09612	1.6
149.13234	1.8
151.07558	1.3
153.04564	0.5
159.02925	0.5
159.11644	0.4
161.09647	0.6
161.13246	0.5
163.03047	0.3
163.07599	0.4
163.11171	0.7
165.09113	100.0
166.09471	3.1
173.09634	0.5
175.07593	0.4
175.11244	0.9
175.14859	0.5
177.09062	0.6
178.25853	0.3
179.10680	0.6
185.88837	0.3
187.11147	0.6
189.09052	0.8
189.12758	0.6
190.09920	0.4
191.07059	0.6
191.10709	1.1
201.12767	0.5
203.10678	0.6
205.12305	2.7
209.03897	0.4
209.05882	0.5
232.63234	0.4
247.13269	0.4
267.07782	0.7
287.12906	0.4
301.21561	1.9
321.24252	1.2
329.06592	0.7
339.25363	0.9
381.20544	0.7
455.24554	0.4
473.14648	0.6
473.32535	0.6
491.14819	0.7
491.26428	1.5
491.34766	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.9
55.05278	1.8
55.05517	24.6
56.67266	1.5
69.03448	6.6
69.35303	8.9
77.10972	1.2
81.03414	4.9
83.04984	100.0
84.05318	2.4
85.02899	5.2
87.04446	1.3
97.02878	6.9
98.23369	2.5
99.04465	2.7
99.94821	1.3
113.06017	2.1
119.04910	2.2
123.04414	3.4
125.02367	36.2
135.00780	4.3
147.03348	2.3
147.04417	24.3
153.01842	25.8
163.07646	1.4
195.02911	2.5
213.03918	23.7
295.08099	26.3
296.08292	1.8
309.09680	6.0
354.39697	1.5
382.07822	1.6
383.61795	1.7
402.16867	1.3
442.86526	1.6
492.21613	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	492.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.9
55.05278	1.8
55.05517	24.6
56.67266	1.5
69.03448	6.6
69.35303	8.9
77.10972	1.2
81.03414	4.9
83.04984	100.0
84.05318	2.4
85.02899	5.2
87.04446	1.3
97.02878	6.9
98.23369	2.5
99.04465	2.7
99.94821	1.3
113.06017	2.1
119.04910	2.2
123.04414	3.4
125.02367	36.2
135.00780	4.3
147.03348	2.3
147.04417	24.3
153.01842	25.8
163.07646	1.4
195.02911	2.5
213.03918	23.7
295.08099	26.3
296.08292	1.8
309.09680	6.0
354.39697	1.5
382.07822	1.6
383.61795	1.7
402.16867	1.3
442.86526	1.6
492.21613	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	492.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43778	2.6
69.03427	13.6
70.87866	4.3
81.03423	4.8
85.02887	4.2
97.02911	5.5
99.04475	5.7
99.15417	2.6
107.04934	2.8
113.06018	2.3
119.04952	9.8
123.04433	12.0
127.03905	2.7
131.05038	3.9
147.04414	100.0
148.04709	3.4
165.05518	5.8
235.11026	2.3
267.08801	4.1
309.09671	31.3
404.59805	2.3
482.93140	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	3.7
69.03427	17.3
69.12158	5.1
69.12558	18.0
70.80296	2.7
81.03410	4.8
83.04996	4.1
91.05501	8.2
97.02927	7.9
99.04462	9.4
109.02850	3.7
113.05983	5.3
119.04964	13.2
123.04444	11.2
128.87379	2.9
147.04414	100.0
165.05481	9.0
203.67108	2.8
309.09674	27.3
363.81842	3.1
371.93414	3.3
493.22507	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	492.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	18.2
68.60151	12.8
69.03420	22.9
69.07068	30.1
69.62235	55.1
76.02238	25.5
77.86366	12.9
79.05466	24.6
81.07066	15.6
83.04977	39.9
85.02911	33.9
86.06064	29.3
87.04491	18.3
97.02892	32.2
98.23293	27.5
105.07018	17.6
107.08589	21.6
109.06518	15.3
116.10717	25.4
119.08582	35.3
119.38628	16.8
121.10126	17.7
133.10114	41.4
137.05960	22.3
138.05586	14.7
145.10173	14.3
147.04398	35.5
153.34288	13.7
163.03909	38.1
167.44664	18.9
170.11734	17.6
173.13194	19.1
175.14821	100.0
179.04852	26.2
191.14310	27.4
196.56328	13.3
198.11255	69.4
216.12311	90.0
318.84454	18.4
435.78647	13.5
439.74704	13.9
461.10748	21.2
492.20831	40.4
493.13345	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20029	1.3
53.03941	6.2
55.01874	3.9
55.05515	7.8
55.24751	1.7
57.03435	3.2
57.07080	6.1
58.02825	1.1
61.02912	2.8
64.62483	1.3
67.05500	16.6
68.99793	1.5
69.03427	15.5
69.07076	12.8
71.04975	3.9
73.02935	3.2
73.41822	1.4
77.03905	1.5
79.05491	11.4
80.80677	1.2
81.03415	12.2
81.07044	17.1
83.04986	2.3
83.08624	3.2
85.02432	2.6
85.02907	35.0
85.06544	100.0
87.00838	17.1
91.05480	6.6
93.07041	31.5
95.04964	4.2
95.08604	24.3
95.09169	2.0
97.02905	12.3
97.06527	16.2
97.10169	2.6
99.04451	14.4
99.08094	5.4
101.06013	3.1
105.01879	11.9
105.07024	7.2
107.04990	1.6
107.07863	2.2
107.08593	40.5
108.08901	2.4
109.02878	12.6
109.06520	5.3
109.10173	9.8
111.04433	2.0
111.08071	3.2
111.11723	4.5
117.01807	1.7
117.05502	3.3
119.06136	1.3
119.08579	6.0
121.06480	2.4
121.10136	26.2
123.08033	2.6
123.11716	3.1
125.09655	3.3
127.03903	19.7
127.07572	3.1
129.01852	1.9
131.08577	3.1
133.10120	6.5
135.08040	7.1
135.11707	4.8
137.09631	2.0
139.07541	17.4
139.41194	1.4
145.04961	6.1
145.10175	3.2
147.11690	3.0
149.09637	5.6
149.13260	32.5
151.11192	12.6
153.05508	2.6
153.09088	17.6
157.08649	2.3
159.02911	2.1
163.14856	4.6
165.09024	2.2
167.10692	2.4
167.14325	2.4
171.02083	1.6
173.13300	5.1
181.10269	1.6
191.14316	15.7
209.09824	2.6
209.11804	4.1
209.15366	53.8
210.15773	2.5
227.01157	1.9
227.16417	37.9
228.16943	1.9
231.04996	3.6
249.05983	2.9
267.07819	12.6
400.22766	1.7
492.20438	5.3
492.26956	4.5
493.19479	2.2
493.27386	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.05510	0.8
57.07077	4.3
58.19719	0.7
58.99557	1.0
65.03941	1.9
69.06247	3.9
69.06679	1.8
69.07070	11.5
71.08633	3.3
75.09724	0.8
77.03915	1.2
79.05491	10.1
83.74253	0.8
87.02703	3.9
89.03901	1.0
91.05479	96.1
92.05811	2.0
95.08581	1.4
98.22620	1.9
103.05462	7.2
105.07034	52.5
106.06535	3.3
106.07845	6.0
107.08604	2.1
111.09882	0.8
133.06494	38.8
134.07285	24.4
135.04446	1.2
135.08051	75.6
136.08437	1.1
137.04178	3.3
143.08923	2.5
145.02859	0.9
151.07535	19.3
161.09663	1.5
163.03909	8.2
164.04256	4.4
165.03699	38.8
166.04037	1.3
167.05280	8.1
179.05264	12.9
181.10051	5.3
183.04749	0.9
198.12784	66.4
199.13116	3.3
239.23682	1.3
277.16214	29.9
278.16464	1.9
295.17255	100.0
296.17542	5.3
313.27271	1.6
330.18347	1.4
354.27673	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.5
55.01873	20.0
55.05512	41.3
57.03436	25.5
57.07074	4.4
57.97740	1.6
58.06584	2.8
59.04991	5.2
65.03940	3.6
67.05502	63.3
69.03444	3.6
69.07072	19.5
71.01348	1.6
71.04978	7.9
71.07784	1.5
71.08136	2.0
79.05492	87.1
80.05823	2.5
81.03420	43.2
81.07056	68.3
83.01351	10.9
83.04980	48.4
83.08619	18.8
85.02906	8.6
85.06539	6.6
91.05479	99.7
92.05816	1.9
93.07045	63.5
95.04962	30.3
95.08608	24.4
97.02890	4.8
97.06527	12.9
97.10178	4.5
99.04453	5.1
99.08102	3.9
103.05466	2.4
105.04536	2.1
105.07029	59.6
106.07306	1.9
107.04951	30.8
107.08596	22.6
109.06525	12.2
109.10155	9.3
111.04468	10.1
111.08090	6.0
113.06018	3.2
115.05472	5.1
117.07014	14.1
119.08579	37.0
121.06502	6.6
121.10138	15.0
123.08064	7.4
125.06004	2.3
125.09632	3.0
127.07541	2.9
128.06233	2.8
129.06992	19.9
130.07805	2.7
131.08557	24.2
131.79716	1.7
133.06474	3.4
133.10126	48.2
135.08057	3.5
135.11696	15.5
137.09602	3.4
142.07770	4.3
142.64687	1.5
145.10112	19.2
147.08037	6.5
147.11671	26.6
149.09601	10.2
151.11157	2.1
153.12746	7.9
155.08537	4.6
157.10124	27.5
159.11694	1.5
163.11179	35.8
164.11623	1.9
165.12788	4.2
173.09651	5.7
175.11186	24.0
181.12277	6.7
191.10678	9.2
193.12253	30.3
209.11745	13.2
211.13274	9.3
227.12781	14.9
236.14903	8.3
265.14337	2.6
267.15903	100.0
268.16229	4.0
283.15390	54.0
283.18347	3.3
284.15817	2.9
304.21472	1.7
325.84839	1.7
383.22028	2.4
422.48987	1.9
457.25861	1.8
475.26926	45.7
476.26886	3.4
493.23105	28.3
494.24139	2.0
494.34824	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	493.2793
Annotation	Mucronine B
Peak:m/z	Relative Intensity
50.70683	0.7
51.02361	1.1
53.03940	5.9
55.01632	1.3
55.01873	16.3
55.05512	43.6
57.03439	17.0
57.07064	1.6
57.82053	0.8
58.38823	0.7
59.05003	5.4
60.51275	0.9
65.03932	3.9
67.05503	48.8
68.05840	0.9
69.03429	7.0
69.07063	13.0
71.01354	2.0
71.04992	12.1
71.08633	1.0
71.29438	0.8
73.02928	1.2
77.03909	1.2
79.05491	62.5
80.05833	1.5
81.03417	88.5
81.07054	57.4
82.03757	1.2
82.07402	1.1
83.01338	10.6
83.04981	30.9
83.08618	40.0
85.02903	37.8
85.06537	3.3
87.04424	1.2
89.55794	0.7
91.05479	61.6
92.05814	1.3
93.07040	54.5
94.07371	1.1
95.04967	44.8
95.08603	23.2
96.05290	1.0
96.08904	1.5
97.02898	6.8
97.06528	10.9
97.10168	7.0
99.04469	4.0
99.08090	1.6
103.05502	1.8
105.04515	1.9
105.07030	39.3
107.04958	18.6
107.08592	26.4
109.06516	14.5
109.10156	8.2
111.04447	8.3
111.08088	17.1
113.06028	3.3
115.05475	3.2
116.06285	1.0
117.07015	13.4
119.08582	32.4
120.08939	1.6
121.06517	6.9
121.10145	21.9
123.08080	13.5
123.11694	2.2
125.06005	3.4
125.09631	6.5
127.07545	1.5
128.06198	1.8
129.07005	14.1
130.07816	2.3
131.04927	1.3
131.08569	17.7
133.06500	4.7
133.10123	14.8
135.08101	4.9
135.11681	17.3
137.09599	4.4
139.07552	1.4
142.07747	4.4
143.08571	1.7
145.06464	2.1
145.10121	25.3
146.10460	1.5
147.08040	5.4
147.11681	17.9
149.09619	9.4
151.11200	1.2
153.12764	6.0
155.08588	1.9
157.10138	16.2
163.11182	46.3
164.11548	1.3
165.09122	1.2
165.12769	4.1
171.11726	0.9
173.09593	5.4
175.11186	19.5
181.12230	6.1
185.13309	1.2
189.11296	2.1
191.10699	4.7
193.12239	75.4
194.12616	2.4
195.09972	0.9
201.63828	0.9
209.11716	10.2
211.13289	81.5
212.13628	3.0
213.16411	1.5
227.12782	6.3
231.17538	1.1
249.14899	2.9
267.15863	7.4
283.15442	5.0
285.17178	1.0
354.13580	1.1
355.22949	1.3
365.21313	1.5
383.22098	5.1
401.23407	2.8
475.26889	5.8
493.27985	100.0
494.28357	9.2
494.34686	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01614	0.7
51.02397	1.4
53.03942	7.5
55.01602	0.9
55.01874	19.4
55.05512	47.6
56.05855	0.8
57.03157	1.6
57.03436	19.3
57.07076	1.8
59.04995	6.8
65.03949	3.4
66.41325	0.7
67.05502	55.0
68.05836	1.3
69.03423	7.3
69.07067	14.5
70.89788	1.5
71.01357	3.1
71.04991	14.8
73.06570	0.8
77.03934	1.5
79.05492	76.0
80.05833	1.9
81.03416	100.0
81.07053	64.6
82.03757	1.2
82.07375	1.9
83.01340	12.9
83.01804	1.1
83.04537	0.7
83.04980	39.7
83.08616	44.4
84.05322	1.1
84.08981	1.0
85.02904	43.8
85.06535	4.2
87.04494	1.2
91.05479	65.4
92.05835	2.8
93.07041	64.0
94.07415	1.2
95.04968	45.8
95.08610	24.7
96.05324	1.7
97.02889	8.3
97.06529	13.5
97.10159	9.0
99.04445	3.8
99.08121	2.0
103.05510	2.6
105.04558	2.6
105.07028	47.5
106.07381	1.8
107.04953	21.1
107.08590	30.9
108.08988	1.2
109.02886	0.9
109.06513	16.4
109.10151	6.2
111.04434	8.1
111.08081	16.8
112.08411	1.0
113.05991	3.8
113.50713	0.8
115.05437	4.6
116.06218	1.5
117.07021	16.2
117.07838	1.1
118.07410	1.3
119.08579	35.3
120.08988	1.2
121.06512	8.7
121.10143	24.3
121.11017	1.4
123.08067	15.3
123.11745	2.7
125.06010	2.3
125.09597	4.5
128.06308	1.1
129.05566	1.2
129.07002	16.6
129.07848	1.0
130.07805	3.0
131.04924	1.2
131.08569	17.7
131.09483	1.1
131.21928	0.7
133.06496	4.2
133.10129	14.1
135.08044	4.4
135.11694	20.5
135.12682	1.4
136.12048	1.2
137.09622	4.9
139.07571	1.1
142.07835	3.6
143.08562	1.8
145.06493	1.6
145.10114	25.0
146.10478	1.5
147.08038	6.2
147.11681	18.6
149.09618	9.6
151.11220	2.2
153.12715	5.1
154.24857	0.8
155.08585	2.9
157.10118	15.6
157.11232	1.1
158.10555	0.8
163.11180	44.6
164.11633	2.5
165.12753	4.3
173.09610	6.1
175.11179	20.2
181.12201	7.1
189.11214	0.8
191.10625	5.7
193.12238	77.2
194.12646	2.2
209.11722	11.3
210.12006	1.0
211.13289	75.1
212.13739	2.9
227.12721	6.4
249.14870	1.6
267.15936	4.3
270.53259	0.8
283.15411	4.6
285.17133	1.7
365.21497	1.3
373.50577	0.9
383.22305	3.2
385.59933	0.8
401.23120	2.4
475.27124	2.4
493.28125	80.9
494.28546	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	493.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	2.3
53.03950	11.1
55.01869	22.2
55.05510	56.3
55.05762	3.1
55.16983	1.7
56.05843	2.5
57.03432	22.4
57.07084	3.0
59.05021	6.9
65.03967	5.2
65.79610	1.8
67.05506	79.9
69.03423	11.8
69.07063	18.7
71.01341	2.4
71.04996	15.5
71.31171	2.4
79.05490	90.9
80.05826	4.0
81.03414	100.0
81.07054	88.2
83.01331	10.4
83.04986	51.7
83.08618	47.2
85.02905	41.0
85.06589	6.6
91.05479	97.2
92.05846	2.5
93.07041	79.3
95.04966	68.7
95.08607	38.9
97.02887	9.7
97.06536	21.4
97.10173	12.1
99.04485	7.7
99.08118	2.8
103.05475	4.5
105.04558	2.8
105.07030	57.4
107.04944	27.6
107.08596	41.5
109.06508	17.8
109.10139	13.1
111.04432	20.7
111.05077	1.9
111.08079	19.4
113.06052	3.0
115.05501	5.1
117.07014	21.9
117.07726	2.1
119.07764	4.6
119.08577	42.3
121.06514	9.6
121.10139	29.3
121.10873	2.2
123.04484	2.2
123.08076	17.7
123.11742	4.8
125.06015	3.4
125.09695	8.8
127.07614	2.1
128.06277	3.9
129.06995	19.3
130.07826	4.7
131.08569	24.0
133.06535	5.4
133.10114	25.8
135.07231	2.1
135.08044	9.5
135.11690	27.6
137.06038	2.4
137.09605	9.4
139.07602	2.5
142.07820	3.9
143.08566	2.8
145.06432	4.9
145.10106	29.8
147.08043	11.3
147.11678	23.4
149.09636	10.4
151.11151	4.2
153.12817	5.6
155.08569	4.3
157.10101	21.7
159.11729	3.2
161.05962	2.4
161.09653	2.4
163.00180	2.4
163.11171	50.8
164.11546	2.5
165.09140	9.6
165.12813	8.5
173.09760	8.7
173.11819	1.9
175.11168	27.0
175.89070	1.9
181.12340	8.3
189.11250	3.7
191.10606	10.4
193.12230	75.2
194.12720	2.6
205.12398	2.6
209.11694	26.3
211.13293	76.5
212.13725	2.5
227.12729	10.8
237.13724	1.9
249.14951	2.6
267.15845	10.3
274.68301	2.2
278.18561	2.0
283.15549	8.7
302.85645	2.0
356.12549	2.3
383.22406	5.8
401.23160	3.9
457.25928	4.6
475.27197	9.3
493.28201	87.8
494.28500	8.6
517.00879	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	493.2795
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.00116	2.4
53.03945	7.3
54.01151	2.6
55.01865	11.9
55.05511	42.3
57.03436	22.3
57.07052	3.4
58.06598	31.3
59.04986	4.1
59.07388	8.5
60.08157	7.5
63.85926	2.6
65.03937	4.7
67.05503	62.1
69.03439	3.2
69.07065	23.3
70.06591	3.9
71.01334	3.2
71.04986	9.9
71.29324	3.0
77.72524	2.7
79.05490	79.4
81.03423	27.6
81.07054	68.2
82.03764	2.9
82.10400	2.5
83.01382	6.8
83.04972	34.3
83.08618	12.3
83.92726	2.4
85.02899	11.1
86.09713	3.1
87.04475	3.9
88.07621	4.0
91.05481	96.1
93.07040	65.3
95.04971	28.7
95.08605	23.6
97.06522	15.8
99.08089	3.3
102.09207	3.4
105.07032	48.9
107.04948	26.4
107.08583	23.7
107.70834	2.7
109.06532	11.2
109.10184	6.7
109.41611	2.6
111.04504	4.0
111.08102	6.3
117.06999	13.2
119.08574	36.2
120.08121	5.4
121.06524	5.3
121.10123	14.4
123.08064	9.2
129.07002	20.4
131.08562	21.4
133.10129	39.5
135.08073	4.1
135.11676	13.6
137.09621	3.8
140.07419	3.0
142.07805	6.2
143.08522	2.9
144.10240	6.1
145.10080	20.4
147.04404	3.5
147.08051	8.8
147.11650	13.5
149.02341	9.5
149.09616	8.9
151.07425	2.7
153.12666	3.9
157.10147	23.0
159.11575	4.0
162.11171	3.5
163.11200	32.9
173.09561	3.2
175.11143	18.6
181.12209	6.9
182.82401	3.0
191.10715	9.2
193.04967	10.3
193.12225	28.6
197.09448	3.0
206.31183	2.8
209.11719	10.8
211.13293	8.8
227.12756	6.2
236.14897	100.0
237.07512	6.1
266.17331	2.8
267.15927	62.4
275.30856	2.7
283.15338	38.9
475.26752	51.3
476.27551	5.9
476.33694	22.9
493.27859	17.8
494.27737	5.1
494.34729	81.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.8
57.07071	5.3
61.41897	1.3
65.03941	1.5
67.05508	7.4
67.72679	1.4
69.07075	7.5
71.08624	5.4
79.05494	4.5
81.03434	1.6
81.07061	8.3
83.05008	2.6
83.08620	3.6
85.10184	2.9
91.05493	15.7
93.07028	3.8
95.04952	1.7
95.08607	8.0
97.06556	2.5
105.07005	2.1
107.08596	3.4
107.54942	1.5
109.06477	2.3
109.10140	4.4
111.08091	1.6
117.07000	1.8
119.04936	26.1
119.08602	1.9
147.04410	100.0
150.45499	1.7
173.11708	1.7
179.00626	1.7
228.99292	2.0
239.23793	1.8
313.27335	4.0
373.17078	1.6
408.97363	1.6
475.30829	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	493.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.8
57.03435	1.0
57.07082	0.7
67.05494	1.4
67.56956	0.6
69.07063	1.0
79.05497	1.3
80.50210	0.6
81.07065	1.6
83.08634	0.8
89.40668	0.7
91.05482	13.9
93.07058	1.5
95.04999	0.7
95.08601	1.8
98.23383	1.0
101.31216	0.6
105.07044	0.7
107.08604	1.3
109.10138	1.0
112.48193	0.6
119.04944	25.5
147.04410	100.0
148.04774	3.1
221.08032	0.9
319.60406	0.7
355.52942	0.7
475.30414	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	493.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.7
55.05494	2.2
57.03428	0.7
57.07067	0.9
65.03944	2.1
67.05507	3.1
67.08714	0.5
69.07066	2.2
79.05482	2.0
81.03415	1.0
81.07067	3.8
83.08604	1.3
91.05479	15.8
93.07031	2.2
93.59863	0.7
95.08599	3.4
105.07024	1.2
107.08593	1.1
117.07023	0.9
119.04946	27.4
119.08575	1.0
121.10124	1.2
133.10139	1.1
135.11690	1.1
147.04405	100.0
148.04712	2.5
165.05533	1.0
191.54636	0.7
211.13217	0.6
219.17749	0.8
221.08136	1.4
311.25641	0.7
475.30530	3.3
493.34076	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	6.2
56.45073	0.8
57.03437	4.7
57.07074	52.6
61.02900	1.3
61.56559	0.8
67.05505	16.4
69.03446	0.8
69.07063	9.6
70.13814	1.8
70.14175	1.5
71.04984	0.9
71.08630	38.7
73.02892	1.1
75.04470	3.2
79.05492	2.1
81.03418	1.3
81.07053	20.2
83.08612	14.2
85.02898	2.5
85.06538	0.8
85.10180	23.1
89.06052	1.1
91.03960	1.8
93.07055	0.8
95.08604	31.3
97.02894	2.1
97.10166	7.8
99.11724	1.5
103.07581	1.0
109.09464	1.1
109.10160	14.3
111.11723	2.5
123.11702	7.6
125.13245	1.3
127.03845	1.3
137.13255	3.6
139.14815	1.0
148.30086	0.8
151.14850	1.3
152.07309	0.8
156.59862	0.7
159.14015	0.8
165.16353	1.5
213.31938	0.7
221.22784	1.6
239.23692	41.6
240.23997	1.3
257.24753	5.8
313.27338	100.0
314.27655	7.1
331.28348	2.8
475.32318	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	0.9
54.37597	0.8
55.05514	8.6
57.03436	4.5
57.07076	58.4
61.02916	1.7
65.03929	1.4
67.05505	18.4
69.07070	15.2
71.08633	41.8
71.29651	0.9
71.30032	1.4
72.08949	0.8
75.04461	2.4
79.05500	8.3
81.03413	1.0
81.06586	1.2
81.07058	23.3
83.05001	0.9
83.08148	1.2
83.08620	15.3
85.02895	1.6
85.06544	1.0
85.10182	24.5
86.10466	0.9
86.18665	0.9
87.02677	1.4
91.05478	42.2
91.72147	0.9
92.05809	7.8
93.07039	2.8
95.04967	1.9
95.08604	31.1
97.10172	7.5
99.11749	1.5
103.05460	3.0
105.07028	21.3
106.06609	1.5
106.07275	6.4
107.04955	1.0
107.08656	1.8
109.10162	17.5
111.11722	2.4
120.08099	1.1
121.10120	1.2
123.11712	6.7
125.13271	1.7
131.08543	0.9
133.06491	15.9
134.07225	7.4
135.08084	26.5
136.08386	11.9
137.04199	0.8
137.13231	3.4
139.14803	1.1
151.07506	6.4
151.14854	1.5
152.07916	2.6
163.03900	2.7
164.04271	2.3
165.03656	14.4
166.04051	4.6
167.05237	2.7
168.05573	1.4
179.05309	3.8
180.05537	1.7
181.10109	2.2
195.50906	0.8
198.12769	16.7
199.13133	13.0
221.22714	2.3
239.23701	41.7
240.24049	2.3
257.24738	4.6
277.16199	7.3
278.16522	7.6
295.17236	22.7
296.17590	24.0
297.17346	2.5
313.27350	100.0
314.27811	5.9
331.28424	2.3
493.28253	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.6
55.01861	2.8
55.05515	18.3
57.03431	6.9
57.07079	39.5
61.87840	1.0
65.03944	2.2
67.05509	50.5
69.06731	1.8
69.07072	20.7
70.79410	1.7
70.79745	2.2
71.01350	2.4
71.04985	2.7
71.08633	27.8
79.05497	29.9
81.03420	3.5
81.07061	41.4
83.04992	9.3
83.08622	17.3
85.02948	1.1
85.06555	3.2
85.10181	16.9
87.36804	1.1
91.05491	15.1
93.07041	36.0
94.07377	1.1
95.04981	3.2
95.08611	36.5
97.06551	9.3
97.10169	13.1
98.22431	1.2
99.08076	2.8
104.20089	1.1
105.04500	1.7
105.07047	3.4
107.08601	24.7
109.10168	19.4
111.08079	2.9
111.11731	2.9
117.07016	5.4
119.08579	6.1
121.10126	6.4
123.11713	6.5
125.13289	2.4
127.19360	1.3
133.10150	2.6
135.00098	1.2
135.10661	2.4
135.11699	46.7
137.09560	1.3
137.13258	2.2
137.91649	1.3
141.94299	1.2
145.10127	9.3
153.12761	5.0
163.11165	5.6
173.11624	1.2
181.12244	12.4
229.65283	1.3
239.23727	10.5
303.20163	1.3
315.31934	1.2
493.38889	100.0
494.39542	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	493.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58372	1.7
53.03947	6.9
55.01873	8.1
55.05516	33.3
57.02540	1.8
57.03446	15.8
57.07077	68.7
60.44608	1.9
65.03950	4.8
67.05507	92.2
69.07076	33.9
71.01364	7.3
71.05003	5.3
71.08636	51.7
71.29594	2.3
79.05494	58.4
81.03432	8.5
81.07060	62.0
82.07389	2.4
83.04979	14.7
83.08626	27.4
85.06556	5.8
85.10181	23.3
91.05481	33.7
93.07044	71.6
95.04990	9.0
95.08611	56.9
97.06534	13.2
97.10180	26.9
99.08102	2.1
104.12735	2.0
105.07053	9.6
107.04931	2.6
107.08604	43.6
109.06544	5.3
109.10165	27.4
111.08079	5.7
111.11782	2.2
117.07023	7.6
119.08598	6.7
120.95768	1.9
121.06499	3.0
121.10169	8.7
123.11741	9.4
125.09704	2.6
133.10152	4.1
135.08064	3.7
135.11700	60.4
135.12682	3.9
137.13278	3.8
145.10120	15.8
149.41963	2.1
149.48080	1.9
153.12773	5.1
162.97783	2.0
163.11166	12.1
181.12244	13.9
184.49016	2.1
199.13339	2.6
221.22583	2.6
237.50359	2.4
239.23682	12.9
371.71823	2.3
388.99332	2.4
493.38989	100.0
494.39398	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	494.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	26.6
53.21117	14.9
53.50357	19.3
55.05500	67.9
57.03435	22.0
67.05506	96.2
71.28959	26.0
79.05494	76.9
81.07044	95.8
83.04964	38.1
83.08595	47.1
86.77178	15.6
91.05482	91.1
93.07040	63.4
95.04991	28.5
95.08605	26.7
95.53276	17.0
97.10143	58.3
103.05447	20.8
105.07017	53.3
107.08565	41.5
109.10133	27.1
117.07018	56.4
119.08554	27.7
120.08082	20.7
125.09582	34.9
126.86230	16.5
131.08575	39.2
135.07990	19.9
141.07025	20.0
157.10127	28.5
169.10126	23.1
187.14792	23.6
189.11250	21.3
197.13156	18.7
213.12709	23.1
215.14282	51.3
227.12775	46.1
236.14905	52.2
367.22614	35.5
385.23761	22.9
441.26251	66.0
442.88745	23.9
459.27637	100.0
494.35004	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	495.111
Annotation	Myricetin 4'-methyl ether 3-O-beta-D-galactopyranoside
Peak:m/z	Relative Intensity
54.23946	0.4
69.03425	1.8
70.70582	0.4
71.28251	1.0
79.13930	0.4
81.91270	0.5
85.02909	3.6
97.02893	1.2
98.97601	0.7
114.89336	1.4
119.01870	0.6
127.03915	1.6
136.94041	1.5
143.01863	1.6
145.03473	0.9
145.04973	0.8
155.01843	1.1
157.03479	0.8
161.03008	0.9
172.06544	0.5
185.02956	0.7
213.06096	0.7
219.02647	1.5
221.05060	0.8
234.17429	0.5
235.38133	0.5
242.58383	0.5
245.05052	2.6
246.05136	0.6
263.06345	0.5
271.06799	0.6
273.08270	0.6
273.58185	0.8
274.08136	0.6
275.06046	0.7
303.09186	3.1
315.04477	3.8
333.06625	1.4
375.07816	1.2
425.11404	0.8
463.14084	1.4
495.11087	100.0
496.11441	6.3
512.18091	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.05518	2.6
55.77278	1.6
56.96564	15.9
57.03440	2.6
66.51608	1.8
69.03441	12.8
71.01370	4.4
71.04985	2.4
71.28313	2.8
73.02923	4.9
73.80341	1.7
80.05022	2.0
81.03423	9.6
83.04991	3.9
84.96036	8.5
85.02908	16.8
86.06060	4.3
94.99927	2.2
95.04960	2.9
97.02894	18.7
98.97585	74.1
99.04474	3.3
101.00900	14.9
102.96877	2.2
103.02480	1.9
109.02909	4.8
110.97556	14.6
112.99130	2.9
113.00886	11.9
113.06010	3.7
115.02473	8.9
116.98625	26.5
119.01925	20.3
121.01681	2.1
121.63530	1.7
122.00552	2.3
124.99131	2.2
125.00958	2.0
127.02412	2.8
127.03913	5.1
128.98610	9.9
130.05014	2.0
131.00206	2.1
131.01904	28.8
133.03473	11.6
134.01234	1.9
134.99710	5.3
135.02211	2.5
136.99123	6.2
138.99803	2.0
139.00778	2.8
139.02495	2.4
140.98599	2.6
141.04031	2.7
143.00172	6.8
143.01891	25.6
144.01950	4.0
144.98064	4.4
145.03456	22.5
145.04579	2.5
145.04982	2.2
146.99600	4.3
147.01416	5.2
147.03183	2.9
149.03065	3.3
151.00835	2.7
151.04474	2.2
152.98618	4.9
153.00681	2.2
155.00169	15.3
155.01892	23.7
156.02702	3.4
157.01747	3.9
157.03490	18.6
158.99635	19.9
159.01369	10.8
159.03264	2.4
159.05064	3.7
160.03889	3.1
161.01224	5.8
161.02975	23.2
162.99249	4.0
163.02682	3.7
165.00824	1.9
167.01994	4.1
169.01935	3.5
169.03296	14.7
169.05807	2.3
170.99701	9.3
171.01411	5.4
171.05067	8.4
173.01303	6.4
173.02994	24.7
173.53531	2.5
175.04512	7.2
177.00711	17.1
177.02220	3.4
179.02039	2.8
181.03531	8.2
182.99837	3.0
183.01421	4.4
183.05124	6.8
185.02956	14.3
187.04469	12.7
188.02757	2.2
189.00757	10.4
189.02412	4.1
191.02103	4.1
191.03922	2.4
193.03497	3.4
195.01872	2.6
196.04633	3.8
197.01248	25.6
197.02992	16.6
199.02856	3.9
199.04562	11.1
201.00722	7.5
201.02463	7.3
201.04263	3.9
201.06062	4.5
201.80305	2.0
202.02538	2.7
203.02304	3.1
203.03934	14.9
204.03841	2.6
205.00322	2.3
209.02963	13.4
211.04547	8.0
213.00764	5.7
213.02512	9.4
215.02293	13.5
215.04070	7.8
217.05388	3.2
218.01003	2.6
219.01729	20.8
221.03008	3.5
221.05058	30.6
221.07170	2.3
222.05040	5.2
223.04675	4.5
225.02577	4.7
227.04066	6.5
231.01804	3.7
231.03778	2.7
237.02702	17.7
239.04224	3.8
241.05719	5.1
243.01686	3.7
245.05165	7.9
250.07071	3.8
257.02890	26.7
257.05362	12.0
259.06693	40.1
260.06973	4.1
261.02625	2.8
268.05585	2.4
271.06693	8.4
273.04721	3.1
277.02786	2.0
277.07736	17.2
278.08047	2.8
279.03824	5.2
279.08426	2.9
285.04681	17.5
286.05048	2.5
289.07837	2.6
295.05099	5.5
295.54990	2.2
296.07919	2.1
296.58051	2.7
297.02869	2.7
299.08832	2.7
301.07703	5.5
303.05530	3.8
315.03976	7.1
315.05676	7.5
316.55695	2.9
317.05368	11.4
321.05234	2.5
323.04721	2.8
323.54449	3.5
324.04446	3.7
324.53979	2.2
332.40567	2.0
333.06989	68.0
334.06946	6.1
345.06644	3.7
351.06647	4.4
375.07773	100.0
376.08157	9.5
387.07684	2.9
393.08771	5.3
433.08295	3.3
440.73862	2.3
451.09399	5.4
463.04791	1.9
463.14041	15.0
485.71512	2.2
495.10760	2.6
495.16962	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41042	1.3
69.03423	2.4
69.79474	3.2
77.00889	1.2
82.99846	1.8
83.04992	2.3
84.31725	1.2
85.02926	5.9
97.01413	1.4
97.02896	2.2
98.97572	3.9
101.00897	12.6
110.97598	1.5
113.00861	5.5
115.02426	4.4
119.01923	14.8
120.92510	1.1
127.02398	4.2
127.03885	3.3
129.00281	1.1
131.01907	12.3
133.03452	4.3
137.03017	1.2
139.02386	5.1
141.03963	2.6
143.01888	21.6
143.09203	1.2
145.03468	19.0
145.04747	1.9
145.04965	1.7
147.01379	2.4
151.02361	1.8
153.03931	2.9
155.01894	22.8
156.02760	2.6
157.03481	15.1
158.99634	1.9
159.04947	2.3
161.02971	17.4
163.04480	1.8
167.01915	2.5
169.03461	11.9
170.99611	3.7
171.05026	9.1
171.82291	1.2
173.02977	26.1
174.03171	1.6
175.04434	2.0
179.01807	2.7
181.03502	6.6
183.05011	6.4
184.05067	1.8
185.02948	16.2
185.06508	1.6
185.35040	1.5
187.04520	8.6
189.00780	1.3
191.03943	1.5
193.03467	4.1
195.05054	3.5
197.02936	5.6
199.04536	8.1
201.02406	1.6
201.06160	5.8
203.04012	18.4
205.03416	3.5
211.04491	8.4
213.06032	3.8
215.03957	5.6
219.01743	1.5
221.05064	55.2
222.05246	3.6
223.04454	6.1
226.62915	1.4
227.04106	2.7
229.05527	2.5
231.03561	2.8
231.07167	1.5
237.02586	2.7
241.05591	17.2
245.05060	22.7
246.05107	2.5
253.05734	1.4
257.05106	2.7
259.06628	43.6
260.06860	5.1
261.02551	1.8
263.06259	2.9
269.04776	1.4
271.06644	21.8
272.06744	1.7
273.07727	1.4
275.06113	3.9
285.04529	6.3
289.07623	5.2
297.04367	1.4
303.05817	2.3
303.09244	17.2
304.09558	1.4
305.07028	1.8
315.05698	15.5
333.06683	100.0
334.06909	8.9
351.07587	2.0
365.09366	1.4
375.07727	51.0
376.08017	3.4
387.07748	9.7
393.08716	4.9
405.08813	3.1
454.76730	1.2
463.13556	2.8
477.11154	3.0
495.10953	49.2
496.11554	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	495.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.05518	2.6
55.77278	1.6
56.96564	15.9
57.03440	2.6
66.51608	1.8
69.03441	12.8
71.01370	4.4
71.04985	2.4
71.28313	2.8
73.02923	4.9
73.80341	1.7
80.05022	2.0
81.03423	9.6
83.04991	3.9
84.96036	8.5
85.02908	16.8
86.06060	4.3
94.99927	2.2
95.04960	2.9
97.02894	18.7
98.97585	74.1
99.04474	3.3
101.00900	14.9
102.96877	2.2
103.02480	1.9
109.02909	4.8
110.97556	14.6
112.99130	2.9
113.00886	11.9
113.06010	3.7
115.02473	8.9
116.98625	26.5
119.01925	20.3
121.01681	2.1
121.63530	1.7
122.00552	2.3
124.99131	2.2
125.00958	2.0
127.02412	2.8
127.03913	5.1
128.98610	9.9
130.05014	2.0
131.00206	2.1
131.01904	28.8
133.03473	11.6
134.01234	1.9
134.99710	5.3
135.02211	2.5
136.99123	6.2
138.99803	2.0
139.00778	2.8
139.02495	2.4
140.98599	2.6
141.04031	2.7
143.00172	6.8
143.01891	25.6
144.01950	4.0
144.98064	4.4
145.03456	22.5
145.04579	2.5
145.04982	2.2
146.99600	4.3
147.01416	5.2
147.03183	2.9
149.03065	3.3
151.00835	2.7
151.04474	2.2
152.98618	4.9
153.00681	2.2
155.00169	15.3
155.01892	23.7
156.02702	3.4
157.01747	3.9
157.03490	18.6
158.99635	19.9
159.01369	10.8
159.03264	2.4
159.05064	3.7
160.03889	3.1
161.01224	5.8
161.02975	23.2
162.99249	4.0
163.02682	3.7
165.00824	1.9
167.01994	4.1
169.01935	3.5
169.03296	14.7
169.05807	2.3
170.99701	9.3
171.01411	5.4
171.05067	8.4
173.01303	6.4
173.02994	24.7
173.53531	2.5
175.04512	7.2
177.00711	17.1
177.02220	3.4
179.02039	2.8
181.03531	8.2
182.99837	3.0
183.01421	4.4
183.05124	6.8
185.02956	14.3
187.04469	12.7
188.02757	2.2
189.00757	10.4
189.02412	4.1
191.02103	4.1
191.03922	2.4
193.03497	3.4
195.01872	2.6
196.04633	3.8
197.01248	25.6
197.02992	16.6
199.02856	3.9
199.04562	11.1
201.00722	7.5
201.02463	7.3
201.04263	3.9
201.06062	4.5
201.80305	2.0
202.02538	2.7
203.02304	3.1
203.03934	14.9
204.03841	2.6
205.00322	2.3
209.02963	13.4
211.04547	8.0
213.00764	5.7
213.02512	9.4
215.02293	13.5
215.04070	7.8
217.05388	3.2
218.01003	2.6
219.01729	20.8
221.03008	3.5
221.05058	30.6
221.07170	2.3
222.05040	5.2
223.04675	4.5
225.02577	4.7
227.04066	6.5
231.01804	3.7
231.03778	2.7
237.02702	17.7
239.04224	3.8
241.05719	5.1
243.01686	3.7
245.05165	7.9
250.07071	3.8
257.02890	26.7
257.05362	12.0
259.06693	40.1
260.06973	4.1
261.02625	2.8
268.05585	2.4
271.06693	8.4
273.04721	3.1
277.02786	2.0
277.07736	17.2
278.08047	2.8
279.03824	5.2
279.08426	2.9
285.04681	17.5
286.05048	2.5
289.07837	2.6
295.05099	5.5
295.54990	2.2
296.07919	2.1
296.58051	2.7
297.02869	2.7
299.08832	2.7
301.07703	5.5
303.05530	3.8
315.03976	7.1
315.05676	7.5
316.55695	2.9
317.05368	11.4
321.05234	2.5
323.04721	2.8
323.54449	3.5
324.04446	3.7
324.53979	2.2
332.40567	2.0
333.06989	68.0
334.06946	6.1
345.06644	3.7
351.06647	4.4
375.07773	100.0
376.08157	9.5
387.07684	2.9
393.08771	5.3
433.08295	3.3
440.73862	2.3
451.09399	5.4
463.04791	1.9
463.14041	15.0
485.71512	2.2
495.10760	2.6
495.16962	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1263
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
69.03416	7.2
69.93069	7.0
69.93436	7.0
79.05524	3.1
81.03409	5.7
81.07053	6.4
83.04988	5.2
84.62659	3.2
85.02921	3.6
85.06462	3.1
91.05503	6.4
93.07032	4.7
97.02866	3.8
98.97572	3.7
105.07027	3.4
119.04912	4.1
135.08064	4.3
137.06010	4.9
147.04376	7.7
199.54967	3.1
201.06624	3.2
247.13243	4.2
261.08609	7.5
301.11655	5.6
326.84622	3.5
409.18329	7.5
435.15112	5.8
451.19211	13.8
463.09995	97.9
464.10477	10.1
494.30231	6.8
495.12454	100.0
495.18362	52.2
495.25726	24.8
496.18042	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	495.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99411	0.5
51.65381	0.5
55.05575	0.7
67.05579	0.8
69.03518	1.2
70.47047	1.7
71.02540	0.5
79.05582	1.0
81.03504	0.8
81.07153	0.8
83.05090	0.7
83.08727	0.6
85.03020	0.6
91.05573	0.8
97.06681	0.6
99.04555	0.8
120.08216	0.7
126.83497	0.5
136.06187	9.2
137.06697	2.3
147.04602	1.1
150.72441	0.5
163.04123	1.7
170.29573	0.6
173.07062	1.1
174.07971	1.4
184.86995	0.6
202.18018	0.5
207.72185	0.6
226.92451	0.5
315.13660	1.3
317.15137	1.2
326.16235	1.8
327.16403	5.3
333.14502	0.8
344.17636	0.8
345.17612	3.8
362.18231	7.7
362.22363	0.6
363.11591	0.7
363.18518	18.1
366.56009	0.6
366.71954	0.5
463.12155	100.0
464.12573	5.6
495.14734	85.8
495.22263	7.7
496.15137	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	495.1834
Annotation	15-O-propionylbruceolide
Peak:m/z	Relative Intensity
67.80196	0.6
69.07039	0.5
71.05324	0.9
77.87227	0.5
82.36924	0.5
93.41130	0.5
94.04879	0.6
105.07038	0.8
119.08615	0.6
193.08232	0.5
203.05447	0.6
211.93178	0.5
245.06238	1.0
247.13028	3.2
271.04355	1.6
289.05270	3.2
345.13254	0.5
363.18515	0.9
409.18286	6.4
410.18973	0.6
411.37643	0.6
433.18350	1.2
451.19376	21.1
452.19833	1.7
463.10013	7.6
495.18472	100.0
496.18808	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.8
55.05499	1.1
57.03447	0.3
58.04750	0.3
59.33717	0.3
67.05498	1.1
69.03416	1.3
69.07079	0.7
71.04980	0.5
71.28899	0.5
78.11967	0.3
79.05494	2.1
81.03414	0.9
81.07063	1.8
83.04972	0.6
83.08610	0.8
85.02882	0.8
91.05476	2.2
93.07033	0.9
95.04957	0.8
95.08602	1.1
97.06536	1.4
99.04434	0.4
102.88599	0.4
105.07050	2.6
107.08595	1.0
109.06543	0.5
109.10149	0.7
111.04438	0.4
111.08063	0.7
117.07070	0.5
119.08592	4.6
121.10127	1.1
123.11713	0.7
127.03932	0.7
131.08583	0.6
133.10120	2.0
135.08073	0.6
135.11617	0.4
137.06000	0.3
139.08942	0.4
145.10100	0.7
147.08057	0.5
147.11699	3.9
151.07556	0.5
152.53546	0.3
153.01837	1.0
161.13246	1.0
175.11140	0.4
177.09129	0.4
185.04192	0.5
193.12210	0.6
203.05223	0.9
207.13869	0.7
211.13380	0.5
215.07123	0.5
229.12038	1.5
245.06331	5.4
259.09665	0.5
271.04330	0.6
289.05298	100.0
290.05695	3.3
293.96216	0.4
333.16855	0.5
477.15567	0.8
495.18277	3.1
495.25778	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2204
Annotation	Glaucarubinone
Peak:m/z	Relative Intensity
50.12901	0.3
55.05518	1.8
57.03445	0.5
57.07079	0.4
67.05503	3.3
69.03418	0.7
69.07063	1.2
69.48350	0.4
71.04974	0.4
71.29392	0.6
79.05499	4.3
81.03432	2.4
81.07057	3.3
83.04974	1.5
83.08614	1.3
85.02893	1.0
85.06541	0.8
91.05471	4.1
91.12936	0.4
93.07060	2.3
95.04992	2.0
95.08628	2.3
97.02877	0.5
97.06523	2.9
97.10181	0.4
99.04453	0.4
100.11252	0.4
102.69824	0.4
105.07030	2.1
107.04951	0.6
107.08604	2.6
109.02905	0.4
109.06521	1.3
109.10162	1.0
111.04438	0.9
115.05447	0.7
116.13751	0.3
117.07025	1.6
119.08604	1.3
121.06584	0.5
121.10137	1.4
123.08041	0.6
125.09621	0.5
127.03838	0.4
129.06999	0.5
131.08568	1.4
131.90625	0.4
133.10155	1.1
135.08058	1.3
135.11699	0.7
137.09560	0.4
145.10123	0.8
147.11700	0.9
149.09625	0.5
153.01857	1.9
157.10139	0.8
163.03900	0.9
163.11182	0.7
165.42006	0.4
170.15413	0.6
191.10585	0.4
193.12236	1.3
197.02988	0.4
198.14885	0.5
209.11725	0.6
211.13350	1.1
223.13368	0.5
245.11160	0.4
259.09659	1.0
267.16104	0.4
314.27844	0.5
385.23761	0.4
403.25034	0.5
431.94556	0.4
458.02887	0.4
459.27670	0.5
459.70810	0.4
477.15698	1.2
477.28165	0.6
495.21982	100.0
496.22433	7.2
496.29642	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	8.5
53.03952	5.3
55.01868	7.7
55.05512	30.9
57.03441	3.7
59.05004	7.3
67.05505	23.1
67.41894	3.5
69.03436	25.4
69.29868	6.4
69.30277	17.7
71.04975	6.9
72.90325	2.8
73.02912	3.1
79.05477	19.9
81.03409	32.7
81.07061	28.7
83.08611	25.2
85.02900	20.7
91.05478	42.2
92.93705	3.0
93.07054	29.1
95.04984	6.6
95.08600	9.0
97.02905	14.4
97.06519	5.7
99.00822	39.3
99.04453	11.2
105.07024	31.7
107.04970	17.4
107.08565	18.6
108.24535	3.3
108.64127	3.3
109.02868	46.5
109.10164	9.6
111.04449	6.4
111.08087	12.9
115.03945	4.8
117.07037	8.3
119.08567	19.9
121.06493	18.8
123.04442	4.5
123.11691	4.1
127.03902	45.1
128.06204	3.9
129.12549	3.5
131.08554	5.7
133.06494	4.9
133.10136	75.5
135.07991	5.2
135.11639	4.5
137.05925	4.8
137.09694	4.3
139.07523	4.3
143.08571	10.9
145.04913	5.9
147.08028	4.6
151.11183	25.7
157.50345	3.6
161.09622	52.4
163.11206	4.7
171.08058	11.1
179.10670	24.4
189.09106	27.8
197.11774	8.2
199.79834	4.9
207.10170	18.4
225.11217	100.0
243.12294	65.1
252.15567	7.2
261.08743	5.8
267.11942	4.0
297.13538	8.3
297.16571	3.9
301.11993	6.1
351.14407	14.7
369.15439	74.7
370.15744	4.3
382.21863	4.7
387.16458	36.5
411.19806	8.0
453.20657	14.7
496.17908	11.2
496.21487	4.2
496.28857	60.3
497.20026	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	496.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00313	1.5
55.01873	1.8
55.05521	8.2
55.34510	1.2
57.03429	3.7
59.04987	1.6
61.02932	1.7
67.05506	5.8
69.03426	2.4
69.16066	6.2
69.16489	4.5
69.64890	1.3
73.02902	1.8
79.05494	4.3
81.03426	5.4
81.07065	8.6
83.08608	9.4
85.02898	3.7
91.05481	12.8
93.07043	9.0
95.04980	3.7
95.08595	1.8
97.02883	3.3
97.06552	1.8
98.23366	2.9
99.00816	15.8
105.07058	9.6
107.04973	3.7
107.08615	5.5
109.02896	7.3
109.10208	2.5
111.04493	1.5
111.08074	2.7
113.06004	1.6
115.03963	1.8
117.07038	2.5
119.08589	6.2
121.06524	4.4
127.03925	2.7
133.10139	24.7
137.05978	2.0
139.07481	1.6
143.08582	3.4
151.11194	8.8
161.09634	16.0
171.08011	3.9
174.86230	1.5
179.10670	10.2
185.12904	1.4
189.09178	7.0
193.12267	2.1
197.11823	1.4
205.81241	1.5
207.10144	3.2
225.11243	18.6
243.12311	7.2
281.13840	5.5
285.17010	1.8
295.69519	1.3
299.05588	9.0
299.14899	100.0
300.15121	3.8
317.15927	2.0
496.18604	3.4
496.28412	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	496.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43316	1.0
53.03954	1.4
55.01863	1.4
57.03436	2.3
57.07087	2.1
61.02923	4.1
67.05505	6.2
69.03429	6.7
69.07064	3.3
69.85422	1.1
71.04990	1.2
71.23655	1.0
71.30169	0.9
73.02933	2.0
79.05492	8.9
79.31529	1.1
81.03413	3.3
81.07056	100.0
82.07399	1.3
85.02905	42.1
91.03958	2.1
91.05520	2.2
93.07014	2.0
95.08607	19.2
95.09171	1.6
97.02889	10.9
97.06552	1.6
99.04446	1.2
105.07037	1.8
109.02878	3.6
109.10138	1.3
119.04940	1.0
119.08547	1.3
127.03903	10.7
130.06563	1.6
137.13252	22.5
145.04953	23.5
147.04349	1.0
159.58864	0.9
161.09590	1.0
163.06009	12.0
188.06993	1.5
219.76028	0.9
222.90086	1.0
227.65189	1.2
341.18451	1.0
478.15710	1.4
496.17126	1.6
496.27328	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.5
56.05022	1.2
57.03435	0.5
57.07079	3.5
58.06577	1.7
59.07382	0.4
60.08163	18.0
64.60597	0.3
65.09819	0.3
67.05495	0.6
69.08423	2.4
69.08833	0.7
71.07375	7.7
71.08630	2.0
74.49229	0.3
81.07051	0.6
83.08631	0.7
85.10184	0.8
86.09702	51.7
86.64542	0.3
87.10035	0.6
95.08605	1.1
97.10165	0.5
98.23422	0.4
98.98466	4.3
103.66968	0.4
104.10739	99.6
105.11067	1.0
109.10183	0.4
124.99999	31.4
126.00335	0.3
126.35361	0.4
163.01573	0.9
184.07335	100.0
185.07692	1.1
193.56793	0.4
258.11072	1.3
280.04398	0.3
313.27298	2.2
375.75375	0.3
377.86966	0.4
412.53455	0.3
419.25500	0.5
478.32874	7.5
496.33972	21.2
497.34091	1.7
497.40714	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.2
56.05031	0.5
57.03431	0.6
57.07074	1.1
58.06592	1.8
59.07392	0.3
60.08164	6.1
62.81942	0.1
66.09979	0.1
67.05503	0.6
69.07072	0.2
70.06568	0.1
71.07373	3.0
71.08620	0.5
72.60064	0.1
74.11330	0.2
79.05489	0.3
81.07063	0.5
83.08640	0.2
85.06537	0.2
86.09705	30.1
87.10038	0.3
93.07077	0.2
95.08600	0.4
97.10214	0.2
98.23377	0.3
98.98463	3.2
104.10747	3.2
105.07022	0.2
109.10197	0.2
125.00005	20.3
143.01093	0.3
144.10196	0.2
160.31731	0.1
184.07343	100.0
185.07690	1.2
223.57845	0.1
236.14925	3.3
258.11041	0.2
313.27347	0.3
478.34177	1.2
493.93152	0.1
496.35910	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	496.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97485	0.4
55.01853	0.4
55.05484	1.3
57.03442	7.4
58.06604	32.5
59.07385	9.7
60.08166	9.5
67.05508	3.9
69.07047	1.4
69.28979	1.4
69.29402	1.5
73.02911	1.0
75.04484	3.6
79.05511	3.5
80.46465	0.4
81.07054	3.1
83.04977	0.4
83.08643	0.6
84.08131	0.5
85.02916	2.6
87.04477	5.6
91.05460	1.3
93.05503	0.7
93.07036	3.6
95.08615	2.3
98.22668	0.6
101.20210	0.4
103.03928	0.6
105.05499	0.9
105.07015	0.6
107.08552	1.2
109.10160	0.5
113.06057	0.5
119.08517	0.5
121.10173	0.8
129.05525	0.4
131.07008	1.8
133.10196	0.5
136.11768	0.4
144.10208	6.8
162.11267	4.3
200.12805	0.8
202.24808	0.5
218.13974	0.7
236.14931	100.0
237.15306	3.4
478.35321	22.5
479.35745	1.8
496.36334	59.0
497.36700	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	496.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93353	1.3
52.73542	1.1
55.05519	2.9
56.01885	1.0
57.07077	25.0
59.61177	1.1
62.29819	1.2
67.05511	2.2
69.03835	7.8
69.04256	3.6
69.07072	3.8
71.08633	26.1
73.06558	3.8
83.08617	2.3
85.10183	14.5
87.04485	3.5
89.06035	100.0
92.94641	1.2
96.91238	1.4
97.10175	3.3
99.11771	1.3
107.07081	3.5
111.11760	2.0
117.09113	2.3
126.42773	1.3
127.14852	1.2
130.08565	1.6
133.08604	47.2
133.18094	1.1
177.11211	14.2
195.12320	4.5
197.22737	2.2
239.14903	2.2
280.23267	1.5
283.17474	20.2
285.27966	3.6
479.39575	8.0
496.34409	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1268
Annotation	Cedrinoside
Peak:m/z	Relative Intensity
51.22752	0.6
65.26294	0.6
66.62262	0.6
69.70091	1.8
98.22689	1.0
121.87504	0.5
129.86996	0.6
132.65512	0.5
133.30936	0.5
136.94037	1.0
143.01881	0.8
161.02884	0.8
168.45929	0.6
171.05147	0.8
173.03104	0.6
185.02972	1.1
186.21442	0.6
197.03004	1.1
203.03990	1.2
215.04123	1.0
219.02654	1.2
245.05186	1.5
252.10385	0.6
287.06168	0.8
316.91364	0.6
316.99503	0.8
317.06485	11.7
497.12567	100.0
498.12878	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	497.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
61.17878	0.5
69.81049	2.1
90.90541	0.5
93.05792	0.6
98.23238	0.8
107.35661	0.5
120.18243	0.7
120.18922	0.7
283.07849	1.6
333.54071	0.5
343.09943	2.8
349.08777	0.8
375.12585	1.2
465.13684	100.0
466.13947	6.2
497.16302	99.7
498.16705	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	497.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61074	0.5
55.05533	0.7
61.84535	0.7
67.05508	0.9
67.61177	0.6
69.03445	0.6
69.07066	1.4
69.20145	2.5
69.20563	1.6
79.05495	1.7
81.07052	1.5
83.04967	1.2
85.02902	0.8
91.05486	2.3
93.05133	0.8
93.07042	2.8
95.08620	1.9
105.07037	2.4
107.08588	8.8
109.06517	0.6
109.10153	0.9
117.07002	1.0
119.08577	2.1
121.10159	4.7
123.11704	0.7
131.08582	1.7
131.64223	0.5
133.10161	1.5
135.08051	5.2
135.11697	1.7
137.09631	0.8
145.10210	1.2
147.11674	1.1
149.09560	0.7
149.13249	1.5
158.10966	1.1
161.44901	0.7
163.14772	0.7
173.13248	1.8
185.04315	1.1
191.14311	1.5
203.05249	2.6
213.12494	0.9
227.05269	1.9
231.13628	3.6
245.06334	7.6
249.14700	2.9
271.04260	4.0
287.03635	3.7
289.05273	61.0
290.05597	1.2
411.19989	6.0
423.12637	12.4
424.12622	0.8
435.19830	2.8
453.20911	17.5
453.27048	1.0
454.21042	1.0
461.17804	3.1
479.18762	12.9
480.19107	1.0
497.19931	100.0
498.20203	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	497.199
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10497	0.6
63.09904	0.5
66.13012	0.7
67.05508	1.2
69.03414	2.8
71.29669	0.7
79.05521	0.6
81.07034	1.0
85.02905	0.6
91.05476	1.0
93.07050	0.8
97.01275	0.5
105.07027	2.0
107.08602	3.0
109.10169	0.8
119.08591	1.3
121.10158	1.3
131.08585	1.3
135.07968	0.8
145.10106	0.9
158.10890	0.7
173.13309	1.5
185.04169	1.3
203.05237	1.1
227.05229	1.1
231.13631	1.3
245.06285	6.7
249.14670	1.0
260.73547	0.6
271.04379	0.9
287.03674	0.8
289.05295	22.5
290.05765	0.7
335.10455	0.9
353.15573	1.7
389.77414	0.6
393.19019	2.0
395.16873	3.3
411.19888	2.8
435.19577	4.7
453.20987	12.8
461.17950	3.7
479.18900	41.8
480.19345	3.0
497.19934	100.0
498.20203	8.6
503.16022	0.7
503.80746	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
53.84632	1.1
55.01875	1.3
55.05519	2.0
67.05508	3.5
69.03432	8.3
69.07049	1.1
70.06587	1.8
70.44673	2.0
71.05025	1.1
79.05499	3.0
81.03429	3.8
81.07075	3.6
83.05000	2.7
83.05586	0.9
83.08647	1.2
85.02905	4.5
85.06549	1.1
86.09714	2.9
86.86676	0.9
87.00836	2.1
91.05487	3.6
93.07042	3.5
95.04993	1.4
95.08634	2.8
97.02879	8.1
97.06545	1.4
99.04450	1.3
105.01881	1.8
105.07046	4.1
107.04993	1.5
107.08612	3.6
109.02893	3.5
109.06583	1.6
109.10167	1.7
111.04491	1.5
115.03985	1.1
117.07072	1.4
119.08578	3.1
121.06496	1.7
121.10170	3.4
123.08134	2.5
127.03938	3.0
129.06932	0.9
130.06494	1.1
131.08580	1.1
133.10091	2.2
135.08043	2.5
135.11707	2.2
137.05998	1.2
137.09573	1.3
138.09169	0.9
143.08577	1.1
145.10129	2.3
147.04453	1.4
147.08153	1.2
147.11710	1.3
149.09648	1.8
163.11205	2.0
171.11702	1.5
173.13368	1.4
183.11584	0.9
184.07349	2.6
185.04196	1.3
185.13390	1.2
189.12804	1.6
191.14317	0.9
201.04007	1.9
203.14322	1.3
207.13878	1.6
209.11821	3.0
213.12743	1.5
215.14171	0.9
227.05374	1.5
231.13713	4.8
245.06415	3.7
249.14777	4.6
271.04221	1.2
283.15475	4.5
287.03680	1.4
289.05292	34.4
290.05707	1.2
301.16391	1.3
306.00449	1.0
361.10480	1.2
393.18878	1.7
411.19931	6.2
423.12820	1.0
435.20270	1.8
453.20895	20.3
454.21326	1.3
465.12878	1.7
479.19049	2.1
497.19995	100.0
498.20309	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	497.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94052	1.4
53.03947	8.6
55.01875	7.6
55.05511	26.1
55.61655	1.3
57.03440	31.2
57.07078	2.6
59.04990	1.4
61.02613	2.4
61.02929	55.9
65.03944	5.3
67.05505	100.0
68.05842	1.3
69.03431	46.4
69.07069	23.8
71.01366	7.3
71.05008	7.5
71.30637	1.6
73.02919	29.4
77.03884	1.5
79.05495	65.5
80.05788	1.4
80.08958	1.3
81.03424	25.3
81.07056	97.0
83.01353	1.6
83.04978	7.5
83.08632	12.2
85.02904	59.2
85.06544	3.1
87.04462	4.2
91.03960	37.1
91.04893	1.7
91.05482	49.0
93.07043	72.0
94.07366	1.4
95.04974	10.2
95.08605	72.6
96.08886	1.7
97.02892	51.2
97.06521	7.3
97.10174	4.5
98.24126	1.2
99.04449	11.0
99.08092	2.1
101.02380	14.5
103.03961	9.7
103.05449	2.3
105.04491	1.6
105.07034	38.1
107.04967	4.8
107.08595	41.4
109.02879	10.2
109.06525	8.6
109.10161	33.8
111.04440	4.6
111.08092	3.6
115.03938	7.0
115.05473	3.2
117.05536	2.7
117.07012	16.3
119.04906	1.4
119.08568	31.3
121.06530	2.8
121.10151	36.5
122.10473	1.3
123.04445	1.2
123.08126	2.6
123.11731	11.5
125.09657	3.9
127.03917	22.8
129.05476	5.4
129.06985	7.8
130.07867	1.4
131.08554	25.5
133.06491	3.0
133.10130	21.3
135.08069	3.9
135.11690	22.1
137.05942	1.8
137.09650	2.7
137.13232	3.6
139.11099	2.1
141.06984	2.6
142.07838	1.9
143.08641	6.1
145.04977	6.5
145.06522	3.6
145.10120	19.6
147.08096	3.2
147.11688	13.7
149.09599	2.9
149.13261	12.4
151.11169	2.8
155.07124	1.6
155.08551	2.7
157.10143	6.2
159.06520	1.9
159.08078	2.5
159.11711	16.0
161.09650	2.2
161.13272	11.7
163.11174	3.5
163.14815	4.3
167.08594	2.2
169.10121	4.3
171.11679	4.5
173.09630	2.5
173.13280	11.2
175.11073	2.3
175.14836	4.3
177.12781	2.4
179.14473	1.4
183.06567	2.6
183.11714	3.4
185.13269	4.1
187.11290	1.4
187.14859	5.7
189.12776	1.4
195.11641	2.1
197.13226	2.0
199.14885	2.2
201.07596	3.7
201.12772	2.3
201.16266	2.1
209.13301	2.0
211.14848	2.1
213.16373	1.7
217.15900	1.9
235.16901	1.2
243.21088	7.0
255.20879	1.5
259.20618	4.7
261.22144	18.8
262.22546	2.0
271.20721	1.3
273.22247	1.6
277.21762	3.2
283.20508	1.8
285.22217	2.0
291.23267	1.5
301.21579	4.0
303.23050	2.7
312.07339	1.2
315.23169	2.7
317.24683	2.9
327.22528	1.7
335.25797	59.2
336.26083	4.9
345.24081	3.1
351.23248	2.8
363.25363	2.0
369.24332	5.2
387.25220	2.2
405.26376	1.8
425.27475	1.5
443.27838	3.4
461.28961	4.6
479.29843	4.2
497.31100	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	497.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	3.2
51.34816	3.7
53.03958	7.8
55.01871	9.9
55.05515	30.7
57.03425	9.7
57.07079	5.2
65.03927	6.2
67.05511	51.8
69.03430	18.4
69.07068	33.5
69.20487	19.5
69.20900	6.1
70.06580	3.7
71.04992	20.9
71.08608	5.4
74.31049	3.5
79.05498	37.5
81.07061	93.7
83.04955	17.7
83.08623	15.3
85.02913	11.9
85.06532	10.1
86.75245	3.2
91.05489	49.0
92.05815	4.2
93.07048	79.9
95.04982	27.0
95.08607	100.0
96.29301	3.6
97.02901	7.0
97.06535	24.6
97.10158	5.6
99.04444	5.4
99.08069	4.8
101.06012	24.3
103.05470	5.2
105.07034	62.7
107.04964	6.1
107.07960	6.1
107.08606	78.9
109.02841	4.5
109.06521	28.4
109.10168	46.8
111.04430	9.9
111.08085	50.0
111.11916	4.1
113.05993	11.9
113.09637	10.8
117.07021	11.4
118.06530	13.3
119.04906	18.4
119.08585	62.5
121.06498	26.8
121.10133	47.7
123.08076	59.0
123.11710	12.4
125.09640	14.6
127.03915	9.4
129.07039	4.2
129.09123	39.1
130.06541	62.9
131.08568	18.8
133.06451	4.8
133.10132	48.4
135.08069	50.6
135.11708	27.5
137.05962	5.6
137.09595	20.3
137.13277	5.7
139.07547	16.2
139.11134	8.7
141.09081	34.8
142.06592	3.8
142.07762	9.6
143.08580	20.4
144.08022	5.7
145.10118	41.5
146.06026	43.0
147.03229	4.6
147.04407	76.0
147.05484	6.3
147.08067	10.8
147.11668	43.9
148.12091	4.6
149.06000	7.0
149.09596	19.7
149.13223	22.0
151.07550	7.7
151.11205	21.0
153.09135	8.4
153.12781	6.7
155.08533	7.0
156.09309	7.1
157.08623	20.4
157.10141	43.8
159.09175	7.9
159.11679	39.9
161.09642	59.8
161.13278	29.7
163.07545	11.2
163.11194	56.0
163.14835	5.7
165.06992	5.0
165.12775	23.3
167.08386	5.1
168.09042	5.1
169.08713	8.1
169.10135	11.4
170.06029	8.2
171.11687	31.0
173.02386	3.9
173.09584	7.9
173.13255	32.7
175.07654	4.9
175.11214	23.4
175.14841	7.4
177.12756	15.9
179.10718	5.9
179.14299	7.3
181.08649	4.3
181.10110	4.1
181.12224	10.1
183.11722	10.5
185.13297	10.9
187.11218	7.4
187.14833	9.7
188.07060	57.4
189.12714	21.8
191.14267	4.4
193.12256	3.9
195.11826	5.9
195.13832	11.4
197.13255	13.7
199.11250	5.7
199.14807	5.3
201.05487	3.9
201.12708	8.3
201.16356	6.3
203.14279	6.1
209.13316	4.7
211.14923	9.0
213.12756	6.1
213.16350	10.6
214.16931	4.2
215.06955	4.7
215.14389	6.9
215.17958	5.0
220.09457	10.2
221.07207	7.4
225.16280	4.1
227.17943	12.9
229.15895	7.6
229.19499	17.0
231.13963	5.5
231.17424	14.6
239.08241	7.2
239.17987	22.0
241.19424	6.2
243.17462	4.1
245.18993	9.4
247.20604	5.7
251.17923	6.1
255.17519	26.5
257.18976	61.9
258.19406	4.3
269.18967	25.4
273.18494	79.1
275.20065	54.8
277.21585	3.9
279.16022	5.5
285.08694	19.1
287.20065	23.2
291.19574	6.2
293.21127	8.8
305.21185	18.7
323.22183	6.8
335.12637	6.3
336.17737	8.6
339.23074	4.9
379.26382	7.0
382.14667	74.1
397.27261	7.7
415.28317	8.6
425.27301	6.3
443.27948	18.4
453.20612	5.5
461.28958	18.4
479.19363	3.9
479.30020	20.3
497.23956	31.3
497.31552	7.0
498.23209	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	497.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07957	2.2
53.03945	5.7
55.01867	5.6
55.05513	16.7
57.03434	6.8
57.07062	3.3
59.05001	3.9
61.02923	4.4
62.89930	2.3
67.05505	31.3
69.03433	20.4
69.07057	19.3
71.04998	12.5
71.30223	2.7
79.05492	28.7
80.04999	2.9
80.05859	2.4
81.03421	7.5
81.07053	100.0
82.07401	17.9
83.04987	15.0
83.08620	11.3
85.02892	28.0
85.06556	7.8
86.03215	2.4
91.05476	31.5
93.07042	48.1
95.04986	16.7
95.08604	69.6
96.08965	3.7
97.02900	13.3
97.06541	20.3
97.10175	3.1
98.97634	2.6
99.04469	7.8
99.08097	5.8
101.06023	9.2
105.07037	38.8
107.04976	6.0
107.08588	48.3
109.02856	6.5
109.06506	16.8
109.10167	27.7
111.04447	6.1
111.08089	26.6
113.05998	4.8
113.09634	5.6
115.05455	5.9
115.34702	2.7
117.07037	8.2
118.06540	18.8
119.04941	14.4
119.08577	37.9
121.06506	14.6
121.10137	28.7
123.08054	37.7
123.11720	8.5
124.08427	3.3
125.09629	7.2
127.03932	11.1
128.06195	2.7
129.06992	6.2
129.09135	20.9
130.06522	74.7
131.06854	3.1
131.08585	11.5
133.06506	6.6
133.10138	31.5
135.08034	30.6
135.11682	14.5
137.06007	5.0
137.09608	13.0
137.13252	10.2
138.13593	2.7
139.07530	9.4
139.11197	4.1
141.06976	3.6
141.09102	14.2
142.06519	6.1
142.07718	3.0
143.07347	3.3
143.08578	14.9
144.08081	6.5
145.04950	12.7
145.06548	2.9
145.10129	29.7
146.06046	39.3
147.04410	63.5
147.08061	5.9
147.11682	23.3
149.06001	3.3
149.09637	11.1
149.13281	12.8
151.07524	3.1
151.11180	5.8
153.09135	3.4
153.12735	3.1
155.07326	2.3
155.08566	6.0
157.08640	15.9
157.10138	24.7
159.08028	5.0
159.09189	5.8
159.11703	28.4
161.09624	28.7
161.13252	17.1
163.06079	5.3
163.07498	4.5
163.11179	37.1
165.07001	4.8
165.09082	3.3
165.12766	15.2
167.08530	5.8
169.08710	4.0
169.10170	5.1
170.06013	6.2
170.10855	3.0
171.10422	2.7
171.11617	13.3
171.35878	2.7
173.02386	2.9
173.09645	4.5
173.13266	15.4
175.11226	20.9
175.14871	4.8
177.12770	13.0
181.12239	4.0
183.11662	5.1
185.07138	6.0
185.13283	6.2
187.11160	6.0
187.14830	4.5
188.07062	58.2
189.12715	13.5
195.13969	5.1
197.13235	4.7
198.11198	3.8
199.14743	3.7
203.14310	5.8
211.14842	5.8
213.12827	3.6
213.16434	8.4
215.14320	4.1
219.08055	3.2
220.09515	12.9
221.07137	9.1
225.16325	3.1
227.18013	12.7
229.15945	6.1
229.19572	8.8
231.07852	2.7
231.13756	3.4
231.17574	4.6
236.16049	2.5
237.09203	7.1
239.08159	11.1
239.17918	8.9
241.19669	3.7
245.19031	6.2
247.20601	2.9
249.14725	5.6
255.17581	17.1
255.19897	3.3
257.19006	40.2
265.08643	3.9
267.15915	3.1
269.19009	15.2
273.18460	55.0
275.09271	3.9
275.20050	36.5
277.21848	3.3
279.15677	2.7
285.08636	21.3
287.20020	13.8
291.19595	7.7
293.07968	6.7
293.20892	5.8
305.21078	11.5
307.65176	2.7
323.22067	5.5
335.12650	5.1
341.51480	2.5
361.25378	2.6
379.26367	5.2
382.14676	81.6
397.27277	6.1
398.21844	3.3
415.28387	7.5
425.26437	4.7
443.27966	9.8
451.16486	4.9
453.20905	7.9
456.88147	3.0
461.29092	11.3
479.30103	15.5
497.17825	10.3
497.24545	19.3
498.23181	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	498.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69682	3.2
53.03938	11.5
55.01872	7.1
55.05511	17.1
57.03428	7.2
57.07067	14.3
57.50246	2.9
59.05001	48.7
59.53287	3.0
62.17583	2.7
62.56809	2.8
64.98381	2.8
67.05492	14.3
69.03429	40.6
69.07068	54.9
69.43168	15.1
71.04970	5.0
71.08620	6.6
73.06554	8.9
77.06017	4.7
78.07095	3.8
79.05487	7.2
81.03412	24.0
81.07052	8.0
83.04985	4.2
83.08646	3.5
85.02425	5.9
85.02907	76.3
85.10170	3.5
87.00829	38.1
87.04450	13.2
90.44727	3.2
91.05462	7.9
93.07063	3.8
95.04947	10.5
95.08624	5.6
97.02885	45.3
97.06532	18.5
99.04457	12.6
105.01860	44.9
105.05500	20.7
105.06989	4.2
107.08572	4.2
109.02881	21.6
111.11720	54.6
121.06463	3.2
121.10069	4.4
127.03920	49.0
129.12752	100.0
130.69995	3.6
145.04971	24.8
147.94542	3.3
155.08565	3.4
159.02884	9.3
169.10114	7.9
173.05968	3.9
195.08086	6.5
213.09122	5.8
215.16458	9.1
224.30835	3.4
231.04971	16.0
233.17455	5.3
237.36467	3.9
239.10696	6.1
241.08591	6.1
267.13818	9.4
276.12250	3.7
286.28784	3.4
291.13663	5.9
293.11667	7.0
295.13196	6.3
309.14801	10.5
337.14337	26.9
355.15421	9.8
454.21756	3.3
498.22620	6.8
499.20523	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	498.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	13.3
55.01870	11.2
55.05495	12.7
57.03434	11.7
57.07058	13.3
58.39210	4.5
59.04768	3.7
59.05008	40.5
59.54097	4.3
61.02921	11.0
63.59372	4.5
67.05489	13.3
67.87234	4.4
69.03434	60.2
69.07063	37.8
71.05004	6.7
71.08632	10.9
71.29045	7.1
73.02913	8.5
73.06535	6.9
79.05478	15.9
81.03423	41.0
81.07043	7.7
81.73001	4.4
83.04990	7.9
85.02910	100.0
85.10171	6.2
87.00831	44.4
87.04461	8.4
91.05467	10.1
93.07063	7.1
95.04960	10.2
95.08603	7.2
97.02905	60.2
97.06521	29.0
99.04453	19.1
105.01868	68.6
105.05524	15.0
107.08550	6.3
109.02885	38.1
109.10143	8.5
111.11728	46.0
121.06469	5.1
127.03917	88.0
129.06970	6.4
129.12761	99.2
130.04971	4.9
133.10133	5.6
137.05963	6.6
145.04961	44.0
159.02875	16.2
201.09074	4.6
213.03896	6.2
231.04984	25.5
236.16295	7.5
249.06143	10.5
259.09650	7.6
293.11646	9.7
301.14401	5.4
309.14859	11.1
311.12906	6.6
322.57617	5.4
337.14349	13.5
364.37286	4.8
455.22159	8.9
498.20630	7.8
498.27451	15.8
499.21393	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	498.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
55.01879	10.7
55.05513	13.6
57.03432	6.5
67.05506	17.8
69.03426	11.9
69.07085	2.7
69.24182	2.3
70.32689	4.0
71.01398	3.1
71.05013	3.7
79.05482	18.9
81.03422	17.9
81.07058	19.4
83.01350	8.8
83.04981	9.3
83.08616	11.6
85.02908	10.4
91.05473	16.7
93.07052	27.2
94.06564	3.6
95.04978	8.9
95.08619	9.0
96.08121	4.9
97.02891	7.6
97.06541	8.6
99.04445	6.3
105.07034	10.5
107.04948	9.8
107.08592	14.8
108.08135	3.8
109.02906	5.5
109.06532	4.7
109.10181	3.0
110.09690	9.8
111.04444	11.4
111.08032	2.5
117.07022	8.2
119.08579	12.4
120.08118	13.6
121.06499	4.5
121.10167	7.7
123.08058	10.5
124.07600	2.5
127.03907	15.9
127.91703	2.7
131.08620	3.2
135.11691	15.5
137.09634	4.6
138.09135	46.5
139.09508	3.7
145.10133	20.6
147.08020	4.3
153.12767	4.2
163.11165	27.0
166.08588	4.0
173.09642	7.6
178.18187	2.7
181.12279	6.7
186.30896	2.7
189.10507	2.4
191.10707	9.9
193.08569	5.8
202.07454	3.2
209.11726	34.1
210.12067	2.6
227.12773	24.5
261.08731	7.0
272.67661	2.8
283.15405	100.0
284.15918	3.7
353.15955	25.0
371.17026	20.5
498.20087	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	498.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
55.01878	3.1
55.05508	7.5
57.03436	3.3
62.43261	1.8
67.05505	12.6
69.03418	2.9
69.07068	4.2
71.04995	2.6
71.30190	2.5
79.05495	15.4
81.03400	4.5
81.07064	12.1
83.04964	10.6
83.08608	4.3
85.02903	6.3
91.05482	8.4
93.07047	16.2
95.04984	5.8
95.08599	5.0
97.02885	4.0
97.06518	5.3
99.04452	3.1
105.07038	5.7
107.04961	8.1
107.08591	6.9
108.78603	1.8
109.06508	3.2
109.10165	4.2
110.96690	2.1
111.04457	12.3
111.08060	3.8
113.05941	2.2
117.07022	4.8
118.33929	1.7
119.08582	5.7
121.06512	1.7
121.10139	6.4
127.03915	3.5
131.08488	2.2
133.10120	3.5
135.08093	2.1
135.11699	11.1
138.09097	2.9
145.10100	14.4
149.09650	3.2
153.12752	5.1
163.11172	21.3
164.93890	2.4
173.09622	4.6
181.12251	6.8
185.03802	2.0
189.23508	2.5
191.10689	11.1
194.78000	1.9
202.93933	1.7
209.11745	23.1
227.12888	13.3
227.14729	2.0
261.08511	3.4
263.09744	2.3
265.14307	2.4
280.18158	2.2
283.15396	100.0
284.15637	5.5
295.08395	3.7
297.79367	1.8
301.16400	13.8
305.55765	2.0
306.11072	2.7
324.12341	3.2
353.15939	3.9
371.16815	2.6
452.17081	4.1
498.17807	11.6
498.29822	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	498.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26499	2.5
53.03938	10.0
55.01868	4.8
55.05517	15.7
56.29497	2.7
57.03434	29.7
59.04997	4.5
59.05287	2.8
61.02922	8.5
65.03925	3.7
67.05512	19.5
69.03439	34.4
69.07066	5.7
69.12874	11.7
69.13312	10.5
69.21017	3.0
71.01347	4.4
71.04993	15.6
73.02921	42.9
73.61692	2.9
79.05489	20.7
81.03417	16.1
81.07059	60.9
83.04966	6.3
83.08621	12.7
85.02908	45.6
85.06548	13.7
85.06973	2.6
86.09715	6.9
87.04454	3.1
91.05490	30.5
93.07047	100.0
94.07336	3.7
95.04982	13.9
95.08604	26.3
97.02896	40.6
97.06518	9.8
98.23403	3.8
99.04488	2.8
100.11243	5.5
105.07023	9.9
107.04976	5.6
107.08588	41.3
109.02859	4.6
109.06553	7.9
109.10160	18.8
111.04420	4.1
115.03936	32.8
116.34799	2.4
116.52471	2.5
119.08551	8.4
123.08086	4.5
127.03918	17.9
131.08612	3.4
133.04980	17.2
133.10158	4.7
135.11697	67.2
137.13258	14.1
138.09111	6.1
145.04982	14.8
145.10098	4.2
163.06027	10.7
163.11227	4.1
179.05516	10.2
179.92511	3.2
182.15335	2.7
184.07381	11.8
209.11772	8.3
227.12756	3.4
233.10216	4.5
241.07127	3.6
259.08133	6.1
274.04553	3.1
283.15393	18.3
295.10257	9.7
353.16223	3.7
378.48138	2.8
426.39746	2.8
453.34415	13.4
498.17944	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.3
55.01881	17.7
55.05520	12.2
57.03434	15.2
59.05028	2.0
65.03919	2.0
67.05495	13.2
69.03434	2.2
69.07042	1.4
69.78025	6.9
71.04997	2.9
71.68574	1.4
79.05496	42.6
81.03424	9.3
81.07068	12.8
83.01340	15.0
83.04974	8.9
83.08627	7.8
85.02923	3.7
91.05482	59.7
93.07043	33.5
95.04991	6.1
95.08620	5.8
97.06554	4.5
97.10157	1.5
98.23276	2.4
99.04470	3.4
105.07045	5.5
107.04950	12.2
107.07940	3.1
107.08599	26.9
109.06523	6.6
111.04469	3.3
115.05476	6.4
117.07023	51.2
119.08593	10.0
121.06538	2.8
121.10136	5.3
123.08080	6.5
125.06055	2.1
125.09623	2.6
135.08057	54.9
135.11703	4.7
137.09650	1.9
145.10114	7.8
147.08022	2.7
153.09059	1.8
153.12776	2.1
163.07550	5.3
163.11195	18.0
165.74466	1.9
173.09671	2.4
174.13409	1.4
181.08626	4.0
181.12190	1.9
186.06648	1.9
191.10760	2.1
199.09744	3.1
209.11691	9.9
227.12857	5.3
255.12289	100.0
256.12701	4.5
283.15402	81.4
284.15918	2.8
423.09607	1.5
463.23190	45.1
464.23752	3.4
478.27203	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.2
55.01881	9.4
55.05517	27.9
57.03435	23.4
57.07065	3.6
59.05001	2.7
67.05507	53.3
69.03432	2.7
69.07073	14.3
71.01352	7.0
71.04995	7.9
72.70834	1.7
73.82619	1.6
79.05495	53.0
80.05772	1.7
81.03416	13.4
81.07052	36.3
83.01335	8.7
83.04972	19.2
83.08626	13.5
85.02933	4.3
85.06535	4.3
91.05476	22.2
93.07047	64.2
95.05000	11.6
95.08617	14.9
95.76991	1.8
97.02888	2.2
97.06527	15.5
97.10178	11.6
99.04440	4.4
105.07033	10.6
107.04959	6.9
107.08595	40.9
107.09293	3.0
108.19302	1.6
109.06514	5.9
109.10127	8.5
111.04420	3.9
111.08071	3.3
117.07006	9.3
119.08573	13.1
121.06535	3.9
121.10155	13.7
123.08073	4.7
125.05975	1.9
125.09628	2.8
130.07758	2.1
131.08569	3.2
133.10153	4.6
135.08070	5.3
135.11693	58.2
137.09624	3.7
145.10133	24.3
153.06923	1.7
153.12738	4.8
163.11188	29.7
173.09694	3.2
173.42981	1.7
181.12218	17.7
191.10635	3.6
199.13269	5.3
209.11720	7.1
217.08495	1.8
227.12784	5.7
229.39391	2.6
255.15906	100.0
256.16284	4.0
256.26453	2.3
283.15381	61.8
284.15750	2.2
463.26923	70.9
464.27286	8.9
469.75912	1.9
498.32080	2.1
499.26721	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	498.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60596	0.3
53.03918	0.5
55.01840	1.0
55.05514	3.8
57.03437	6.7
57.07042	1.6
58.06600	47.5
58.06874	1.6
58.07016	1.4
59.07381	14.0
60.08165	12.5
67.05506	9.6
69.07064	4.5
69.70886	1.5
71.04947	0.6
73.02885	0.8
74.85175	0.4
75.04482	3.6
79.05506	4.2
81.06603	0.5
81.07054	8.9
82.07368	0.6
83.04957	0.5
83.08613	1.9
84.08096	1.5
85.02900	2.7
86.10637	0.4
87.04466	4.7
89.05992	1.0
91.05483	3.8
93.05504	0.5
93.07049	3.6
95.08606	5.7
97.06485	1.0
97.10140	0.6
100.11217	0.7
102.05535	0.6
103.03873	0.5
105.05486	0.8
105.07034	3.7
107.08596	1.9
109.10184	2.3
113.05988	0.9
113.72533	0.4
118.58034	0.4
119.08570	1.4
121.10134	0.8
123.11594	0.4
129.74106	0.4
130.08603	0.6
131.07072	1.9
133.10097	1.1
140.29172	0.4
144.10193	8.5
145.10191	0.5
147.04362	0.6
159.06476	0.5
160.24658	0.4
162.11250	2.3
200.12805	1.1
218.13872	0.9
236.14917	100.0
237.15204	3.0
393.29944	0.5
395.30743	0.6
410.29614	1.1
411.29825	2.7
436.37778	0.5
480.36850	27.8
481.37140	2.2
498.37863	89.7
499.38376	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	498.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42388	0.5
53.48566	0.5
55.01847	0.7
55.05481	1.4
56.04984	0.4
57.03439	7.5
58.06603	32.3
59.07383	10.2
60.08162	9.6
63.12994	0.5
65.29410	0.4
67.05182	0.5
67.05504	5.4
69.07039	2.2
69.11417	1.6
69.11834	2.2
73.02901	1.1
75.04483	4.8
77.47694	0.4
79.05454	1.5
81.07053	4.5
82.84122	0.7
83.08613	0.5
84.08123	0.7
85.02898	2.4
87.04004	0.5
87.04468	5.5
91.05452	0.6
93.07016	1.2
95.08609	3.1
103.03887	0.8
105.05507	0.9
109.10130	1.0
131.07030	1.9
144.10204	9.5
162.11275	4.0
207.02991	0.5
218.13803	0.6
236.14925	100.0
237.15205	3.0
436.37860	0.9
480.36847	23.6
481.37363	2.3
498.37894	70.0
499.38306	5.4
515.02216	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.8
55.05510	2.5
57.03437	6.0
57.07052	0.7
58.06601	28.9
58.35708	0.3
59.07383	9.4
60.08166	9.5
67.05188	0.3
67.05499	4.1
69.07079	1.6
70.55052	0.7
71.08620	0.3
73.02891	1.0
73.95786	0.4
75.04118	0.3
75.04478	4.0
79.05495	1.9
81.07058	3.8
82.84129	0.5
83.08598	0.6
84.08105	0.8
85.02900	2.2
87.04465	4.5
91.05448	1.4
92.51227	0.4
93.07019	0.9
95.08615	2.7
97.06488	0.5
100.11240	0.3
103.03920	0.5
105.05480	0.5
105.06994	1.1
107.08556	0.4
109.10139	0.9
111.08031	0.4
113.06023	0.5
119.08524	0.4
123.11703	0.3
129.05421	0.3
131.07024	1.7
133.10051	0.4
144.09113	0.5
144.10199	7.3
149.69156	0.3
159.06497	0.5
162.11247	4.0
168.72609	0.3
200.12854	0.5
218.13867	0.8
236.14920	100.0
237.15305	2.6
290.16028	0.4
313.27408	0.7
327.85077	0.3
393.29614	0.4
451.80161	0.4
458.04071	0.4
480.36832	22.6
481.36935	2.0
498.37888	60.4
499.38458	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	498.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25726	0.4
55.01849	0.9
55.05481	2.1
57.03436	6.1
57.07080	5.9
58.06602	29.6
59.07384	9.3
60.08165	9.4
60.08451	0.5
61.29888	0.5
67.05504	5.3
68.24408	0.4
69.03400	0.4
69.07072	2.5
69.47123	2.7
71.08636	3.4
73.02901	0.8
75.04488	4.5
79.05463	2.2
81.03381	0.7
81.07056	4.8
83.08582	1.4
85.02876	1.9
85.10181	2.3
87.04466	6.1
89.06033	22.2
91.05453	2.2
93.07011	1.8
95.08624	4.6
97.06536	1.3
97.10167	0.5
98.23347	1.0
99.11732	0.9
102.05507	0.6
105.05454	0.9
105.06995	1.7
107.08547	1.0
109.10149	1.5
113.05963	0.8
117.06982	0.8
117.09175	0.5
119.08569	1.0
121.10119	1.2
123.11707	0.6
130.08609	0.9
131.07028	2.9
133.07629	0.8
133.08594	13.0
133.10126	1.1
133.18547	0.5
144.10196	8.3
155.17924	1.3
157.10066	0.7
162.11293	3.9
177.11241	5.0
181.10054	0.5
200.12794	0.5
218.13885	0.9
221.13959	0.6
236.14922	100.0
237.15279	2.9
239.14954	1.3
283.17639	0.6
327.20166	4.6
407.29398	0.5
480.36850	22.1
481.37222	2.6
498.37897	70.1
499.38647	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	498.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.7
55.05511	3.4
57.03439	1.2
57.07076	35.5
58.06597	8.8
58.07398	0.5
59.05013	0.6
59.07381	2.4
60.08165	2.3
67.05509	1.7
68.27893	0.6
69.07076	2.6
71.08634	25.9
72.80711	0.5
73.06557	9.3
79.05515	1.2
81.07054	1.9
83.08620	1.9
85.02937	0.7
85.09661	0.8
85.10184	21.0
87.04469	5.1
89.06032	100.0
90.06360	1.1
91.05479	1.3
91.07583	1.2
93.07034	1.1
95.08614	1.8
97.10169	3.0
99.11732	4.4
100.13403	0.6
105.07056	0.7
107.07082	2.2
107.08463	0.6
108.10072	0.5
109.10146	0.8
113.13305	2.0
117.09129	4.9
130.08638	1.4
131.07040	1.2
133.08604	48.0
134.08926	1.3
144.10220	2.3
155.17929	4.4
162.11406	0.7
177.11221	16.1
195.12163	0.7
199.20537	5.1
221.13895	2.3
229.39857	0.6
236.14926	24.5
239.14902	2.1
243.23210	5.8
265.16055	0.7
283.17496	2.0
287.25821	3.9
290.96170	0.6
327.16580	0.8
327.20197	7.9
480.36862	4.1
481.37390	9.4
482.37915	0.7
498.37836	16.1
499.38501	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61419	0.6
56.96561	2.4
70.04910	1.7
98.19809	0.6
98.96937	0.9
98.97578	16.0
98.98187	1.2
116.98627	10.7
126.71319	0.5
130.93303	4.7
134.99660	3.4
148.94391	1.0
172.94341	11.7
174.97701	1.6
177.00972	0.7
180.33528	0.6
188.92413	0.7
190.95410	11.4
190.97003	1.0
192.98793	2.0
194.89771	0.6
198.97720	0.6
206.93373	3.0
208.96500	3.7
209.24518	0.6
212.92337	0.6
214.95436	7.6
216.98749	2.4
219.01958	0.7
224.94408	1.3
230.93385	16.1
232.96490	28.3
233.96886	1.0
234.99849	4.7
236.00029	1.0
248.94473	21.0
249.24184	0.5
249.94522	1.1
250.97603	17.2
252.88608	0.6
254.93584	1.2
256.96625	11.6
257.96878	1.3
258.99963	4.7
260.00128	1.3
261.00061	1.0
261.03052	3.0
262.03094	0.7
262.99426	0.8
263.02881	1.4
266.95447	6.2
267.95239	0.6
272.94440	21.0
273.94675	0.8
274.97675	29.0
275.97955	2.2
276.97717	1.6
277.00983	4.3
278.01212	0.8
279.00906	1.2
280.96887	1.4
282.99976	4.6
284.00125	2.7
284.99756	1.7
287.98068	0.9
288.92426	1.2
290.95496	41.1
291.95667	1.6
292.98611	8.4
296.94547	2.4
298.97760	18.7
299.00992	1.1
299.97891	2.2
300.97623	1.2
301.00943	7.4
302.01181	3.0
303.01007	2.8
306.93564	2.1
308.96484	7.4
308.99539	0.7
314.95474	31.5
315.95450	2.7
316.98822	27.6
317.98892	3.4
318.98819	0.9
330.93539	2.9
332.96545	48.8
333.96548	3.0
336.97549	0.6
340.98813	1.0
348.94482	5.7
349.99365	0.6
350.97733	3.4
354.93646	1.4
355.98071	1.2
356.96506	7.6
357.97092	0.7
358.99908	1.7
359.81934	0.6
370.98645	1.1
372.94534	6.4
373.95273	1.2
374.97641	16.0
375.97888	0.8
390.95547	13.8
391.95621	0.8
392.98639	2.8
396.94632	1.4
408.96481	1.1
414.95673	10.6
415.95538	0.8
425.00708	0.8
432.96658	17.3
433.96732	1.8
438.95523	4.2
443.02127	1.2
444.02258	1.5
445.02298	1.3
445.50223	1.8
446.00385	1.4
446.50040	1.8
450.97385	1.0
454.50900	0.8
455.00638	1.5
455.50861	0.9
456.96634	100.0
457.96799	12.4
474.97601	40.2
475.97879	5.1
492.98730	1.3
497.99121	2.9
498.97769	7.7
499.97412	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	499.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.9
55.01883	3.7
55.02111	0.8
55.05516	1.2
56.05048	3.3
57.03439	0.9
61.02927	1.7
67.05502	1.2
69.03429	4.2
70.06601	5.9
71.04980	1.1
71.28718	1.0
73.91779	0.5
79.05494	1.2
81.03408	1.1
82.06586	0.8
84.04532	0.9
84.08158	0.7
85.02918	4.4
91.05502	1.1
93.07047	1.4
94.06574	1.5
95.08639	0.5
96.04536	0.6
97.02926	3.5
98.05421	0.9
98.06055	18.0
99.04465	2.0
102.47837	0.6
105.07037	2.4
107.08585	3.2
107.56337	0.5
108.08158	0.9
109.02882	0.7
110.06081	0.8
110.09689	1.4
115.08714	1.2
116.07084	3.9
117.07024	1.3
119.08589	3.1
121.10199	0.7
125.07124	4.6
127.03923	1.2
130.07820	1.1
131.08566	2.4
133.06592	0.6
133.10173	0.9
134.09659	1.0
135.08057	2.2
136.07578	1.1
137.05963	1.1
139.08646	0.5
143.08142	7.1
144.09380	1.7
145.10118	9.8
146.09662	1.5
147.08040	1.2
147.11661	0.7
155.48427	0.5
158.07317	0.6
159.08086	1.4
159.11696	9.3
160.11104	0.9
161.09636	4.6
162.09157	0.9
162.12833	1.8
164.10698	0.8
172.08795	1.2
179.11784	1.0
183.11295	0.6
187.11172	7.5
189.12788	1.4
191.15413	0.9
204.13838	6.1
218.15355	0.6
222.14935	3.0
224.23492	0.6
250.14485	1.1
283.18033	0.8
301.19095	5.1
302.17554	2.0
319.20148	6.3
337.21176	3.3
384.20306	3.9
398.21808	0.9
481.25461	8.7
482.25360	0.9
499.26508	100.0
500.26852	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	500.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57487	0.5
53.65294	0.5
55.41822	0.4
69.03445	1.0
70.06600	0.8
73.10374	0.5
81.12014	0.5
85.02924	2.6
89.21059	0.6
91.05474	1.3
94.04182	1.5
95.05030	0.6
97.02922	0.9
98.97572	2.7
114.63585	0.4
116.98601	1.0
121.06510	1.2
122.03643	4.3
123.04398	0.6
127.03925	0.7
134.06116	0.6
135.04390	0.6
137.05980	100.0
138.06339	2.1
139.03809	0.4
145.04968	1.0
147.04391	1.1
149.06006	4.9
151.07547	2.5
152.06078	0.6
153.07013	3.3
158.99710	0.6
163.03860	0.5
179.07039	0.8
181.06464	6.9
195.08093	1.2
198.06761	0.9
202.29979	0.6
209.05956	1.6
210.06554	0.5
213.09113	5.5
227.05803	0.5
241.08588	5.5
253.08698	0.5
273.11212	31.8
274.11615	2.2
279.08975	1.0
285.11191	1.5
294.84924	0.5
321.10199	0.6
339.11063	1.1
359.09390	0.9
381.11978	0.8
441.14343	0.8
459.15384	0.6
501.15598	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	500.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.5
55.01876	14.7
55.05510	17.7
57.03436	24.2
59.04995	3.3
65.03928	2.7
66.99001	2.0
67.05505	33.0
69.03489	16.2
69.03917	3.8
69.07063	7.3
71.04997	5.9
74.37053	2.1
77.22543	2.1
77.36075	2.0
79.05494	60.9
81.03417	68.3
81.07054	29.7
82.03735	2.4
83.01347	9.6
83.04985	21.6
83.08621	17.3
85.02900	18.3
91.05481	100.0
92.05810	3.1
93.07040	39.3
95.04977	24.4
95.08606	12.5
97.02924	3.5
97.06525	12.0
97.10162	3.7
98.23479	3.4
99.04446	2.4
99.08064	2.6
105.04509	3.7
105.07029	25.9
107.04967	13.5
107.08601	36.9
109.06557	9.9
109.10169	4.5
111.04434	5.7
111.08115	13.0
111.08755	2.1
115.05456	8.8
117.07021	53.9
119.08576	27.6
121.06512	5.7
121.10155	8.4
123.08115	3.5
129.07018	7.2
131.08571	13.1
133.06461	4.0
133.10149	7.3
135.08046	60.3
135.11682	2.7
137.09647	6.7
145.10146	2.8
147.08080	4.2
147.11716	12.1
149.09628	3.0
157.10097	11.4
163.07561	10.6
163.11205	2.9
165.09148	4.2
172.19072	2.3
175.11162	10.9
181.08592	4.0
193.12224	44.5
199.09647	5.9
209.11740	2.7
211.13300	70.0
212.13542	2.7
213.09084	2.3
215.95526	2.0
228.58020	2.4
239.12675	4.2
241.57465	2.4
255.12267	90.5
256.12671	6.5
257.13818	6.3
267.15961	12.8
274.27774	2.4
283.15405	11.6
285.16940	39.2
286.17242	3.3
292.14075	2.4
299.03122	2.3
310.15500	2.9
338.14752	6.2
338.30386	2.2
349.80521	2.4
355.19351	3.1
356.15628	3.7
429.22778	2.2
447.23813	9.3
465.18127	3.0
465.24802	61.5
466.25070	5.0
500.20139	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	500.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01670	2.2
53.03939	4.6
55.01876	12.3
55.05515	17.0
57.03441	20.4
57.07033	2.1
59.04982	6.3
64.74044	2.3
65.03931	2.8
67.05507	39.8
69.03423	6.4
69.07066	10.6
71.04978	8.9
79.05496	34.1
79.78009	2.0
80.06300	2.3
81.03416	62.2
81.07073	21.1
83.01350	11.0
83.04960	16.7
83.08622	10.1
85.02895	15.8
90.23504	2.1
91.05482	100.0
92.05816	2.3
93.07046	48.0
93.07625	3.8
95.04955	12.6
95.08611	30.2
97.02910	4.6
97.06533	8.0
99.04432	3.8
103.05486	2.2
105.07033	15.8
107.04984	11.1
107.08605	10.6
109.02889	2.6
109.06509	9.4
109.10161	21.3
111.04440	3.5
117.07029	14.6
119.08580	94.6
120.08911	3.8
121.06491	6.6
121.10158	14.7
123.08070	10.1
125.05957	2.4
129.06979	8.9
131.08534	3.7
131.43643	2.3
133.10120	4.2
135.08041	6.3
135.11699	9.3
137.09613	46.7
141.34093	2.0
145.10141	14.3
147.06853	2.0
147.07990	10.6
157.10161	2.8
157.11485	1.9
159.08063	2.4
163.11188	22.5
165.09129	42.5
173.09633	3.7
181.12224	3.8
183.10144	20.9
190.69765	2.0
193.12344	2.3
201.09418	2.3
209.11737	12.0
227.12737	6.0
239.12677	19.6
240.07246	2.3
255.12241	3.5
257.13849	59.6
283.15396	92.8
284.15771	7.5
285.17120	2.7
297.46637	2.7
327.40613	2.2
337.14276	3.1
338.14590	4.3
356.15622	3.8
422.88757	2.7
447.23645	8.2
465.24826	48.5
500.20016	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	500.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38780	0.5
55.05514	2.3
57.03433	6.5
57.07045	0.6
57.88215	0.5
58.06599	27.1
59.07381	7.5
60.08163	9.5
67.05510	2.0
69.07066	3.4
69.16119	2.4
69.16525	0.9
73.02882	0.9
75.04468	2.9
79.05482	0.6
81.07018	1.3
82.97762	0.7
83.08580	1.8
85.02896	2.1
87.04468	4.5
93.05452	0.7
95.08566	1.7
97.10152	1.0
103.03925	0.7
105.05469	1.4
107.08537	0.5
109.10154	0.9
111.11678	0.4
121.10101	0.6
131.07043	2.3
135.11668	0.4
144.10170	6.8
162.11253	4.3
185.96581	0.4
200.12794	0.8
218.13783	0.9
228.47531	0.4
236.14908	100.0
237.15268	3.0
247.61815	0.5
266.30112	0.5
438.39697	0.5
469.11185	0.5
482.38379	22.8
483.38791	2.2
500.39407	64.2
501.39633	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	500.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36381	1.6
55.05509	27.3
56.05839	1.8
57.03435	18.1
57.04466	1.5
57.07076	13.6
59.04992	5.1
65.03932	1.9
67.05503	98.1
68.89778	1.8
69.06729	2.4
69.07071	27.3
71.04981	3.3
71.08630	8.1
75.32234	1.6
79.05492	3.8
81.07052	16.0
83.08615	26.8
85.06558	3.1
85.10163	3.4
91.05479	7.0
93.07039	6.5
95.08620	10.6
96.15156	1.6
96.97009	1.7
97.10176	15.9
98.23360	5.7
107.08609	2.8
109.10152	83.9
111.08067	4.0
111.11700	5.0
119.08583	6.0
137.09616	4.6
149.13132	1.8
155.10646	6.5
173.11719	29.0
229.14343	100.0
230.14702	2.2
236.14922	4.5
304.26175	1.9
311.25769	79.7
312.26254	4.8
397.61737	1.9
465.35721	62.6
465.45670	2.4
466.36191	3.4
500.39572	1.8
500.46628	4.9
501.35013	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	501.1577
Annotation	KN-93
Peak:m/z	Relative Intensity
56.96561	1.6
59.18070	0.7
64.94218	0.7
69.03437	1.8
69.96081	0.7
70.06580	1.6
71.05004	0.8
71.28849	0.9
72.86781	0.7
79.05510	0.8
81.03433	0.9
85.02891	2.0
94.06552	1.7
97.02874	1.5
98.97594	4.0
110.97591	0.8
116.98618	2.6
122.06003	0.7
124.07562	0.8
125.88695	0.7
127.03925	0.9
128.98618	0.7
147.04443	1.1
170.02043	0.8
171.08073	0.7
191.11734	1.3
197.04228	0.9
211.02737	1.2
229.03909	1.2
237.02802	1.5
239.05251	4.3
279.09036	1.8
285.09421	6.2
297.10333	0.8
321.10104	1.5
339.10953	2.3
359.09457	25.1
360.09790	1.5
441.14374	3.9
457.17169	0.9
459.15207	2.3
483.14481	2.5
501.15732	100.0
502.15869	7.3
520.41205	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1737
Annotation	Sideroxylonal C
Peak:m/z	Relative Intensity
53.03944	2.7
55.01856	1.5
55.05531	1.1
56.96560	1.4
59.05001	1.0
69.03432	9.4
69.07077	4.3
69.48629	2.2
69.49023	3.8
71.05006	1.8
75.39068	1.0
77.23893	1.0
79.05494	3.4
81.03424	13.8
81.07066	1.7
83.04981	2.6
85.02899	3.4
85.60709	1.0
86.09722	1.2
87.57424	1.1
91.05494	1.6
93.07072	1.9
95.04958	1.9
95.08613	1.1
97.02900	3.8
97.06535	26.6
98.23415	2.1
99.04466	3.5
105.03435	1.3
105.07045	3.1
107.08591	1.8
109.02882	2.1
111.04453	1.0
119.08608	1.6
121.02919	1.7
121.10139	1.9
127.03918	3.7
131.00223	2.3
133.02888	1.8
133.10112	2.3
135.04355	1.5
137.09624	2.4
141.06982	1.9
143.08577	1.0
147.04443	2.7
149.01222	1.9
157.06583	1.2
161.05969	1.5
163.03899	3.9
169.06450	2.0
173.02301	2.0
185.05998	1.1
185.09824	1.1
187.07555	2.7
191.14403	1.5
197.05946	2.2
201.05501	1.6
211.07364	1.1
213.05492	1.4
215.07130	5.3
217.08504	1.2
222.69958	1.2
235.13974	1.1
235.16621	1.0
237.08820	1.3
239.10612	1.1
241.08601	2.9
243.06561	1.4
259.09625	8.5
262.08932	1.3
265.08566	1.6
267.10168	2.1
283.08798	3.1
285.11136	1.2
286.09052	1.1
293.11560	2.0
297.11295	2.1
311.12823	4.3
321.17990	1.9
330.37427	1.1
339.12140	2.9
345.79709	1.1
357.13605	1.7
375.04803	1.3
403.14157	1.2
405.05875	1.6
441.23019	1.6
457.24341	1.5
483.15793	1.8
496.62753	1.3
501.17255	100.0
501.23203	7.6
502.17667	7.8
502.23605	1.3
526.31329	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1732
Annotation	Gliocladinin B
Peak:m/z	Relative Intensity
51.95359	1.2
53.03930	3.6
55.00245	1.2
55.01874	1.6
55.05509	1.3
56.96574	1.7
57.03434	1.2
66.10075	1.1
67.05500	2.4
69.00070	3.6
69.00486	7.3
69.03432	12.4
69.07062	2.8
71.04986	1.8
78.47056	1.1
79.05488	4.9
81.03419	15.8
83.04982	2.3
85.02898	3.7
90.95821	1.1
91.05501	2.0
93.07035	1.5
95.04958	2.3
97.02876	5.3
97.06525	20.4
98.06864	1.4
98.22607	2.5
98.97586	3.4
99.04443	3.5
105.07040	2.2
109.02866	1.3
111.04431	1.7
112.99126	2.5
123.04418	1.9
127.03941	1.9
129.06923	1.4
131.00110	2.3
131.08548	1.3
133.02824	2.7
133.10129	1.6
135.04414	1.5
137.05965	1.3
141.06995	2.3
147.04413	3.3
155.08397	1.2
162.23628	1.1
163.03876	3.6
164.10640	1.4
169.06517	2.7
174.05267	4.3
175.07503	1.3
185.06033	1.2
187.07532	1.8
191.14215	1.6
195.08208	1.3
197.05946	2.1
199.07664	1.7
200.04680	1.5
213.05519	2.4
213.09116	2.1
215.07054	7.9
225.05495	1.7
239.10710	1.7
241.08566	2.4
253.08499	1.7
259.09695	9.8
265.08423	2.0
283.08505	2.5
295.14215	4.9
309.11169	1.8
310.92068	1.2
311.12860	4.3
321.12018	7.1
339.12897	12.1
349.20654	1.2
399.14099	1.2
483.14862	1.6
501.17368	100.0
502.17789	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	502.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.7
55.01866	6.7
55.05508	13.2
57.03442	22.3
65.03908	3.6
67.05513	43.5
69.03417	10.9
69.07061	13.2
71.04984	5.6
71.30576	4.1
79.05499	32.5
81.03423	88.7
81.07057	29.9
82.03795	3.7
83.04982	18.1
83.08614	14.5
83.26421	2.9
84.86219	3.2
85.02892	26.3
85.06560	3.9
85.93125	3.7
91.05484	100.0
93.07050	38.6
95.04967	25.2
95.08604	29.6
97.02866	5.9
97.06538	18.1
97.10181	4.0
105.07026	29.3
107.04962	5.7
107.08611	5.9
109.06495	4.9
109.10162	18.6
111.08092	12.2
112.04028	3.8
117.07011	8.5
119.08579	97.4
121.06509	7.6
121.10157	12.4
123.08045	5.8
129.05528	3.7
129.07011	15.6
131.08554	11.8
133.06488	5.4
133.10109	12.8
135.08090	3.9
137.08650	4.9
137.09624	41.5
141.86345	3.1
145.10092	5.1
147.08043	12.0
147.11710	11.5
149.09581	6.5
153.07089	3.1
157.10123	12.9
159.11682	3.5
163.11206	3.7
165.09102	39.3
166.09464	4.3
175.11234	12.4
183.10199	20.3
193.12262	42.4
211.13309	58.0
236.14952	7.0
239.12788	20.7
255.20454	3.6
257.13828	56.0
267.15924	19.0
285.16962	41.5
311.12799	14.3
341.14081	4.5
431.24063	9.4
449.25107	10.0
467.26529	25.3
502.22989	3.5
502.30710	8.6
503.18097	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	502.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	11.3
57.03429	8.6
57.07078	10.3
58.06604	3.4
58.90831	3.5
60.72836	3.5
67.05501	26.4
69.03428	6.3
69.07064	15.5
77.09422	3.5
79.05489	22.7
79.92715	3.7
80.34648	3.6
81.03416	9.9
81.07055	27.6
82.97295	3.5
83.08607	10.7
85.02902	5.0
85.06550	12.7
85.10217	4.9
89.33944	4.3
91.05473	25.4
93.07056	21.2
95.04980	7.6
95.08614	17.6
105.07014	18.7
107.04926	4.9
107.08592	6.9
108.13766	4.2
108.66256	3.4
109.06491	4.7
109.10149	5.3
111.08081	10.5
119.08622	4.2
121.10107	6.4
123.08111	5.6
125.09592	5.1
127.07538	7.2
131.08568	4.7
133.10135	100.0
134.10478	5.6
135.65639	3.9
138.29976	3.4
149.09637	15.2
153.09100	6.7
171.10173	13.2
171.11588	3.8
173.14648	3.4
188.92426	3.8
189.11238	14.8
193.12242	4.2
224.15025	3.6
242.40874	3.9
502.35852	24.9
503.37158	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	502.41
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20312	0.2
55.01874	0.4
55.05512	1.6
56.05048	0.3
57.03432	5.9
57.07072	8.5
58.06596	39.3
59.04990	0.4
59.07378	11.4
60.08163	10.3
60.08628	0.3
67.05504	2.7
69.07056	2.1
71.08626	6.1
73.02917	0.7
73.70726	0.2
75.04482	3.1
75.24092	0.2
79.05491	1.0
80.93594	0.2
81.03388	1.1
81.07049	3.0
83.08601	1.7
84.08157	0.9
85.02905	2.7
85.10178	2.9
86.09734	0.2
87.04462	4.9
91.05485	0.4
93.05523	0.5
93.07047	0.5
93.94666	0.2
95.08601	3.0
97.06505	0.5
97.10176	1.2
100.11267	0.5
101.06004	0.3
102.05536	0.6
103.03941	0.7
105.05492	0.7
107.08617	0.3
109.10178	1.1
111.11699	0.3
113.05976	1.1
116.10653	0.3
119.08634	0.2
123.11710	0.6
130.08632	0.2
131.07030	2.0
144.10187	10.1
159.06537	0.4
162.11249	2.1
170.20868	0.3
186.13481	0.2
200.12758	0.8
218.13934	0.7
236.14902	100.0
237.15269	3.1
341.30316	0.8
344.12671	0.3
440.41037	1.2
484.39923	23.5
485.40131	2.3
502.40979	89.6
503.41589	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	502.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	8.8
57.03431	17.2
57.07076	35.5
59.04995	5.1
65.03943	1.6
67.05504	89.0
69.07059	9.3
71.04974	4.4
71.08628	23.5
73.04752	1.9
74.85389	1.5
79.05482	2.6
81.07058	20.2
83.08615	14.2
85.06554	3.9
85.10178	14.7
87.29137	1.6
91.05460	7.3
93.07034	4.5
95.08608	22.6
97.10153	4.5
98.22643	4.7
109.10154	74.2
111.08051	2.4
119.08585	5.1
123.11658	3.7
132.25301	1.5
137.09615	5.1
155.10654	6.1
162.19691	1.5
163.11188	2.5
167.05608	2.9
173.10072	2.2
173.11705	22.6
229.14342	100.0
230.14642	2.3
239.23686	3.7
256.83789	1.9
257.24921	2.1
313.27332	95.1
314.27719	7.7
322.03659	1.9
348.25467	1.6
414.15384	1.5
467.37332	52.5
468.37827	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	503.2096
Annotation	LY223982
Peak:m/z	Relative Intensity
55.05508	0.5
57.03436	0.4
57.24702	0.3
66.92522	0.3
67.05509	0.7
69.03424	1.1
71.29594	0.3
77.24260	0.3
79.05495	0.6
83.04973	1.2
85.02920	1.0
93.07050	0.4
94.43574	0.3
95.04977	0.4
95.08614	0.4
97.02892	0.6
97.06533	1.2
98.81985	0.3
99.04424	0.5
99.08114	0.3
105.07024	0.4
107.08582	0.5
109.02878	0.4
109.10162	0.4
111.04452	0.3
117.07009	0.3
119.08564	0.5
121.10141	0.6
127.03986	0.3
132.71002	0.3
137.06009	1.1
147.04417	1.1
150.90251	0.4
156.83580	0.3
159.11794	0.4
203.05296	0.5
251.10640	0.4
259.07758	0.6
307.19168	1.0
323.14703	0.9
341.15771	4.1
457.20627	0.4
457.64914	0.4
485.19901	17.1
486.20212	1.4
503.20963	100.0
504.21329	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	503.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.7
57.32624	0.6
63.64208	0.4
67.05491	1.5
69.03362	3.5
71.05551	0.4
79.05501	2.3
81.03416	0.7
81.07049	1.0
83.08630	0.4
91.05482	2.5
93.07047	1.7
95.04994	0.7
97.06509	0.6
102.61812	0.5
105.07046	0.7
107.04996	0.5
107.08591	2.0
109.06538	0.6
115.05623	0.5
117.07024	2.0
119.08614	0.7
135.08076	1.8
145.10165	0.8
163.11252	0.8
221.07973	2.5
231.37483	0.5
249.10970	7.1
255.12453	0.9
277.10492	5.7
283.15408	1.5
299.05945	0.5
305.13602	5.7
503.22519	100.0
504.22876	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	503.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.1
55.05510	1.8
57.03439	1.0
57.07071	0.9
60.23571	0.1
63.59893	0.1
65.03940	1.6
67.05506	1.3
69.07076	2.2
69.07582	0.5
71.08633	0.3
72.57133	0.1
79.05482	0.8
81.03419	0.3
81.07063	1.6
83.04956	0.1
83.08617	1.3
85.10181	0.2
91.05481	9.8
92.05817	0.2
93.07036	0.8
95.04979	0.3
95.08611	1.1
97.06525	0.1
97.10175	0.7
105.07043	0.2
107.08592	0.5
109.10167	0.6
111.08119	0.2
111.11752	0.2
119.04942	21.3
120.05296	0.5
121.10141	0.5
123.11733	0.2
131.08575	0.1
135.11740	0.2
147.04408	100.0
148.04744	2.4
149.13252	0.2
165.05469	2.2
185.05913	0.2
201.21603	0.1
203.07185	0.2
221.08115	0.3
241.07121	0.1
265.25189	0.2
390.30984	0.2
503.33258	2.5
504.33939	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.5
53.55475	2.9
55.01870	3.3
55.05511	10.9
57.03448	3.5
57.07080	9.7
64.13011	3.6
66.27234	3.2
67.05511	20.1
67.14887	3.0
69.03436	22.0
69.07069	14.0
71.04993	3.1
71.30402	4.5
79.05506	10.5
81.03429	14.1
81.07065	36.3
83.04985	25.1
83.08626	8.9
84.05335	4.8
84.46294	3.3
85.02915	25.0
85.06553	5.0
87.00852	10.1
87.04536	2.9
91.05472	11.7
93.07060	18.1
95.08613	43.5
95.78057	3.0
97.02885	19.1
97.06534	33.4
99.04462	5.3
105.01879	18.4
105.07027	25.2
107.08615	26.1
109.02876	17.9
109.10162	37.9
117.07001	4.4
119.08597	36.9
121.06535	3.3
121.10156	14.9
123.11718	10.3
127.03940	20.1
128.63248	2.9
129.07097	3.0
130.05002	7.0
131.08607	4.3
133.10136	31.9
135.11699	19.0
137.13275	43.9
145.04959	8.5
145.10068	4.1
145.84802	3.4
147.04405	6.6
147.08133	3.5
147.11700	33.0
155.08411	4.4
159.02957	3.6
161.13316	13.4
165.09196	7.2
175.14851	5.6
180.29088	3.3
203.17953	100.0
204.18279	4.3
215.06937	3.6
221.19002	16.1
231.04845	6.6
259.09747	7.1
268.09052	3.3
314.14853	3.3
343.15555	4.5
504.18817	4.1
504.32117	21.6
505.20480	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	504.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	5.9
55.05505	10.3
57.03438	5.0
57.07100	5.1
67.05493	14.3
69.03428	18.3
69.07067	10.6
69.37947	28.4
79.05501	13.0
81.03413	13.7
81.07053	31.0
83.04974	18.9
83.08584	4.5
85.02893	27.5
87.00828	12.9
91.05493	12.9
93.07054	12.8
95.04951	9.6
95.08609	45.2
97.02901	17.5
97.06515	22.0
105.01891	15.5
105.07014	17.9
107.08591	22.2
109.02856	8.5
109.06462	5.6
109.10159	43.8
119.05034	3.8
119.08580	33.9
121.10160	20.3
123.11674	7.4
127.03912	19.9
131.92897	4.5
133.10100	22.1
135.11699	19.8
137.09563	5.5
137.13234	41.2
145.04915	8.9
147.11705	27.9
159.02946	4.5
161.09618	5.5
161.13274	16.0
203.17935	100.0
215.06976	5.0
221.18974	12.7
235.31686	4.4
353.55768	5.5
416.10538	5.1
432.29443	5.2
504.32114	15.3
505.20599	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	504.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	2.3
55.01867	4.0
55.05503	5.8
57.03390	2.2
67.05499	10.8
67.10682	2.3
69.03426	7.7
69.07063	11.0
69.87044	2.0
70.49302	6.2
70.49689	2.4
79.05492	9.7
79.39827	2.5
81.03411	6.7
81.07061	30.5
83.08628	3.8
85.02917	18.1
87.00826	6.9
91.05484	11.8
93.07068	15.9
95.08060	2.5
95.08611	24.4
97.02887	7.1
97.06512	5.2
98.22636	2.1
99.04463	3.4
105.01839	6.6
105.07041	25.0
106.42133	2.5
107.08599	20.7
109.02884	10.0
109.10157	22.5
119.08588	17.9
121.10159	9.5
123.11694	9.9
127.03905	15.1
133.10143	12.4
135.11673	5.0
145.04990	5.6
145.57753	2.6
147.11674	25.1
159.02908	4.1
161.13264	12.2
163.03931	2.5
175.14841	4.7
194.34285	2.4
203.17957	100.0
204.18192	5.5
208.67502	2.4
221.19077	5.4
336.91998	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	504.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	24.2
67.05506	27.6
69.03419	19.0
69.07058	21.7
69.08480	5.8
71.05008	6.5
71.29911	10.6
79.05481	26.3
81.03449	12.5
81.07062	51.6
82.99100	4.7
83.04982	8.7
83.08586	6.2
85.02886	24.6
85.06520	10.4
87.00854	6.9
91.05443	24.9
93.07044	36.6
95.04980	10.4
95.08591	49.0
97.02893	26.7
97.06533	43.0
105.01899	5.5
105.03391	8.2
105.07032	43.2
107.05010	5.0
107.08598	35.7
109.02873	14.6
109.06470	6.0
109.10162	32.4
117.07021	5.4
118.19285	5.1
119.08582	44.9
121.10127	21.5
123.11719	11.9
125.09630	5.7
127.03893	22.7
133.10109	24.7
135.11711	11.2
145.04971	10.6
147.11661	42.5
149.13309	7.2
159.11700	5.6
161.13254	13.8
163.03915	23.7
163.14807	6.4
177.16350	10.0
203.17955	100.0
211.07549	7.0
215.06949	6.4
221.18961	18.2
231.05092	6.8
239.20013	23.4
249.06180	5.0
259.09598	19.8
283.00436	5.6
311.12848	11.2
312.13040	7.1
343.15302	12.7
347.83438	7.0
383.52975	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	504.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45736	5.8
53.03933	9.9
55.01875	7.4
55.05512	41.1
57.03440	8.8
57.07078	13.1
60.07566	5.9
63.58562	5.1
67.05503	97.1
69.03401	7.2
69.07061	20.0
70.45407	16.8
71.05004	5.9
79.05496	97.8
81.03413	20.4
81.07065	96.4
83.08617	15.6
85.02902	11.9
85.06543	7.0
91.05471	65.6
93.07053	100.0
94.07349	7.6
95.04975	11.0
95.08604	65.9
97.02898	11.3
97.06512	11.5
99.08086	14.6
105.03448	6.9
105.07031	47.0
107.04867	7.3
107.08592	48.9
109.10155	30.4
111.04478	6.9
111.08112	6.6
112.03885	6.5
117.06988	22.4
119.08600	47.4
121.10146	61.1
123.11722	19.1
129.06993	6.6
131.08582	45.2
133.10136	36.5
135.08037	11.8
135.11710	52.1
143.08426	6.3
145.10095	35.7
147.11684	26.1
149.09602	8.8
149.13255	23.1
151.11131	11.2
157.10176	6.1
159.11702	29.2
163.11218	9.5
173.13263	25.2
175.11214	6.4
177.12590	7.0
187.30240	7.0
198.03949	6.4
205.19536	6.3
212.91489	6.0
215.17928	60.4
233.19031	70.7
275.20224	8.5
325.23618	8.6
341.20935	6.8
359.21973	7.1
377.23233	11.8
400.75082	6.9
439.94934	6.9
504.20731	11.2
505.27875	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	504.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.8
55.05514	20.0
57.03432	9.0
57.07076	30.3
67.05506	16.5
69.07060	28.0
69.07500	2.3
69.07775	24.4
70.07364	2.5
71.04993	11.2
71.08631	25.8
74.78074	2.8
79.05495	59.2
81.03420	41.1
81.07053	25.8
82.03767	3.2
82.07451	2.4
83.04991	11.7
83.08642	20.3
85.10183	14.0
91.05495	9.5
93.07048	8.6
95.04971	32.5
95.08600	20.7
97.06526	29.2
97.10191	8.7
98.22549	4.5
99.04440	3.5
105.07034	6.2
106.28304	3.3
107.04962	28.2
107.08649	3.9
109.10165	7.1
111.08148	4.8
119.08619	4.5
120.61168	2.6
121.10144	2.8
123.11664	3.3
125.06004	35.9
129.07016	4.9
131.08580	4.1
139.07587	2.9
143.07056	19.7
151.14713	3.0
157.08646	7.1
157.10088	3.2
193.12254	14.0
194.12637	4.2
199.09610	20.4
205.58052	2.8
231.12280	8.3
239.23680	5.1
302.05972	2.5
302.36963	2.7
313.27347	100.0
314.27795	4.5
353.69748	2.7
411.31039	24.8
412.31006	3.4
437.32632	12.7
469.34976	14.1
504.25385	13.4
504.37289	29.9
505.38611	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	505.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.8
57.58412	0.8
58.10879	0.7
69.03421	2.6
69.32986	3.5
73.74520	0.7
81.07133	0.8
85.02901	2.1
87.04488	1.7
97.02915	2.8
115.03965	1.6
121.42104	0.9
132.09981	0.7
133.04982	1.6
145.02821	2.0
177.05440	4.8
192.34958	0.7
195.06572	2.4
195.13557	1.7
201.03651	0.8
217.97353	0.7
234.10266	0.8
245.84735	0.7
333.07883	40.4
335.09470	16.6
336.09628	0.8
392.96848	0.7
478.45319	0.8
505.22580	100.0
506.23019	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	505.2408
Annotation	Ser Asn Arg Glu
Peak:m/z	Relative Intensity
53.03940	1.1
55.01880	1.0
55.05507	4.4
57.03430	1.0
57.56567	0.7
64.63789	0.7
66.45525	0.8
67.05510	5.5
68.16229	0.7
69.07063	2.4
71.28905	0.8
71.29318	0.8
79.05485	6.7
81.03407	2.4
81.07056	6.7
83.04958	2.1
83.08625	2.4
85.02898	2.5
91.05474	8.7
93.07032	6.0
95.04956	2.6
95.08588	2.9
97.02912	1.2
97.06522	2.7
105.03393	2.9
105.07015	4.8
107.04939	2.6
107.08589	3.8
109.06523	1.5
109.10147	2.2
113.58070	0.8
115.05525	1.0
117.07022	2.5
118.67326	0.7
119.08587	3.4
121.02882	0.9
121.06542	1.8
121.10116	1.9
123.08055	1.4
125.09673	1.1
129.06929	0.9
131.08563	2.1
133.10107	1.4
134.34912	1.0
135.08063	3.3
135.11641	0.9
137.09523	0.9
143.08505	0.9
145.10126	0.9
147.11731	1.1
159.08047	1.0
159.11835	0.9
161.09625	1.2
163.11090	1.0
165.09119	1.7
175.11148	0.9
201.09120	0.9
205.08655	0.9
221.07851	2.1
223.13115	0.9
245.80269	0.8
251.12541	6.5
271.84103	0.9
277.10452	2.1
278.90091	0.9
279.11780	1.1
307.15225	5.2
309.23325	0.8
311.12817	1.6
325.14532	1.0
343.15359	1.7
422.32907	1.0
505.23965	100.0
506.24304	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.01880	1.0
55.05507	4.4
57.03430	1.0
57.56567	0.7
64.63789	0.7
66.45525	0.8
67.05510	5.5
68.16229	0.7
69.07063	2.4
71.28905	0.8
71.29318	0.8
79.05485	6.7
81.03407	2.4
81.07056	6.7
83.04958	2.1
83.08625	2.4
85.02898	2.5
91.05474	8.7
93.07032	6.0
95.04956	2.6
95.08588	2.9
97.02912	1.2
97.06522	2.7
105.03393	2.9
105.07015	4.8
107.04939	2.6
107.08589	3.8
109.06523	1.5
109.10147	2.2
113.58070	0.8
115.05525	1.0
117.07022	2.5
118.67326	0.7
119.08587	3.4
121.02882	0.9
121.06542	1.8
121.10116	1.9
123.08055	1.4
125.09673	1.1
129.06929	0.9
131.08563	2.1
133.10107	1.4
134.34912	1.0
135.08063	3.3
135.11641	0.9
137.09523	0.9
143.08505	0.9
145.10126	0.9
147.11731	1.1
159.08047	1.0
159.11835	0.9
161.09625	1.2
163.11090	1.0
165.09119	1.7
175.11148	0.9
201.09120	0.9
205.08655	0.9
221.07851	2.1
223.13115	0.9
245.80269	0.8
251.12541	6.5
271.84103	0.9
277.10452	2.1
278.90091	0.9
279.11780	1.1
307.15225	5.2
309.23325	0.8
311.12817	1.6
325.14532	1.0
343.15359	1.7
422.32907	1.0
505.23965	100.0
506.24304	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26711	15.6
55.05511	23.1
57.03429	16.6
60.03686	16.9
67.05515	28.4
68.13130	16.4
69.03432	56.5
69.07082	23.9
71.05013	24.4
71.30164	21.6
75.73260	16.3
77.25053	17.5
79.05492	38.2
81.07056	100.0
83.04967	26.9
85.06543	27.8
91.05497	40.5
93.07043	31.0
95.08610	37.0
97.02875	34.0
97.06536	37.1
105.07022	42.9
107.08608	41.5
109.10168	40.4
114.76414	15.3
116.10767	32.0
116.22245	17.0
119.08594	48.9
120.49766	16.4
123.08084	17.7
127.11163	18.8
129.06914	19.3
133.10110	25.6
135.11714	79.0
136.12088	20.4
142.34715	17.3
147.04453	31.0
150.72237	14.9
163.03867	23.2
165.09161	25.8
171.40099	15.7
259.09662	36.1
286.57278	16.7
341.60443	18.5
343.15320	20.4
344.24341	41.4
475.27655	21.9
490.28485	20.8
505.20355	39.1
506.29285	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.5
54.59655	0.2
55.01883	0.5
55.05512	3.2
57.03438	1.5
57.07081	1.3
59.86006	0.2
62.01606	0.2
62.14102	0.2
63.02372	0.4
65.03936	0.3
67.05508	4.2
69.07068	4.2
71.08640	0.6
71.28912	0.3
74.47451	0.2
77.03924	0.3
78.04686	0.2
79.05492	3.2
81.03416	0.9
81.07058	4.3
83.04990	0.5
83.08614	2.4
85.06551	0.3
85.10199	0.3
86.28275	0.2
89.03918	6.0
91.05479	2.9
93.07040	3.9
95.04970	0.8
95.08611	2.6
97.02911	0.2
97.06542	0.6
97.10175	1.1
103.05446	0.4
104.16234	0.2
105.03368	1.2
105.07046	1.4
106.04176	0.5
107.08603	1.8
109.10164	1.6
111.08066	0.3
117.03381	18.6
117.07014	0.3
118.03743	0.5
119.08596	1.0
121.06428	0.3
121.10143	1.7
123.11739	0.3
125.09572	0.4
129.07057	0.3
131.08549	0.6
133.10150	0.7
134.03688	1.4
135.04395	1.4
135.08122	0.2
135.11702	2.0
137.13321	0.2
143.08563	0.3
145.02844	44.0
145.10091	0.4
146.03136	1.0
147.11679	0.7
149.05978	6.2
149.13345	0.5
150.06265	0.3
158.06064	0.4
159.11630	0.5
161.13310	0.3
162.03105	0.4
163.03896	1.1
173.13210	0.3
177.05466	100.0
178.05844	2.5
179.14160	0.2
181.12221	0.3
186.05527	1.6
193.12306	0.4
195.00386	0.6
195.06554	1.0
215.18016	0.2
233.18925	0.6
237.22000	0.3
239.23595	0.2
240.15900	0.3
251.09227	0.3
255.15921	0.7
307.22540	0.4
311.25739	0.4
413.20566	0.2
469.36569	0.2
487.34134	1.3
505.24384	0.6
505.31290	5.3
505.38760	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
55.01878	0.3
55.05509	3.9
57.03434	1.2
57.07078	1.3
59.05006	0.3
59.95492	0.3
63.02380	0.3
65.03949	0.4
67.05502	4.9
69.07066	3.7
71.04993	0.3
71.08636	0.8
79.05489	3.3
81.03411	0.9
81.07057	4.1
83.05009	0.4
83.08619	2.4
85.10172	0.3
89.03913	6.6
91.05482	2.7
93.07043	2.7
95.04978	0.8
95.08606	3.3
97.06523	0.4
97.10173	1.4
105.03397	1.2
105.07011	1.7
106.04140	0.4
107.08599	1.8
109.06503	0.3
109.10161	2.5
109.81008	0.2
115.05445	0.3
117.03377	17.0
117.07008	0.7
118.03728	0.3
119.08560	1.6
119.91518	0.2
121.06496	0.2
121.10134	1.3
123.11654	0.3
125.09621	1.0
129.07019	0.6
131.08539	0.8
133.06471	0.3
133.10132	1.4
134.03593	1.4
135.04436	1.5
135.11667	1.1
137.09595	0.4
143.08479	0.3
145.02840	42.4
145.10129	0.6
146.03142	1.1
147.11697	0.9
149.05980	5.4
149.13264	0.6
157.10075	0.3
159.11639	0.5
161.13283	0.4
162.03064	0.4
163.03899	1.2
173.11687	0.4
173.13159	0.2
175.11182	0.2
175.14810	0.3
177.05463	100.0
178.05785	3.7
186.05525	1.5
187.14706	0.3
189.11183	0.7
191.07025	0.2
193.12238	0.5
195.00365	0.4
195.06573	1.6
227.12708	0.4
229.14287	1.1
241.19528	0.4
245.74048	0.2
251.09087	0.4
259.20578	1.3
261.22174	0.4
263.85873	0.2
311.25674	0.5
333.24139	0.5
457.43964	0.2
505.31094	2.9
505.38177	0.9
506.32251	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.6
55.01870	4.5
55.05514	35.1
56.97278	1.2
57.03443	3.9
57.07080	37.6
65.03952	3.6
67.05506	75.2
69.07070	43.7
69.15886	2.1
69.16286	7.9
71.04998	4.5
71.08629	21.0
73.21590	1.1
74.43139	1.3
74.47062	1.3
79.05496	45.1
81.03420	47.9
81.07059	93.1
82.07404	1.7
83.04981	9.0
83.08622	43.7
84.08955	1.4
85.06555	3.1
85.10176	13.5
91.05480	38.2
93.07044	46.5
95.04984	16.1
95.08607	48.1
97.02892	1.4
97.06533	8.3
97.10165	18.1
98.23392	2.8
99.08109	3.2
99.11772	1.2
105.03403	1.3
105.07034	23.2
107.04951	8.0
107.08591	21.8
109.06534	3.7
109.10167	19.8
111.08070	7.1
111.11732	4.4
117.06982	6.6
119.08606	14.5
120.98327	1.3
121.06455	2.2
121.10152	19.9
123.11685	8.4
125.09631	2.5
125.13256	2.0
128.06166	1.9
129.07018	6.6
131.08549	10.4
133.06566	2.7
133.10144	14.8
135.11714	13.7
137.09607	1.5
137.13261	3.7
139.07564	1.2
142.07767	3.1
145.10109	2.3
147.08034	2.4
147.11685	9.0
149.09673	3.1
149.13258	15.8
153.12646	1.3
157.10117	8.2
159.11713	4.3
161.13231	1.3
163.11177	1.4
175.11198	6.5
177.12810	2.8
193.12259	21.6
194.12648	1.5
195.13765	7.5
219.21150	3.0
231.13785	1.3
237.22102	6.5
239.23701	6.3
249.14778	2.6
254.29828	1.2
264.08569	1.2
313.27524	2.6
413.33871	2.9
487.37601	1.4
498.80109	1.5
505.38885	100.0
506.39383	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	505.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.0
55.01866	7.3
55.05512	21.1
57.03453	6.8
57.07078	57.4
63.90697	1.0
65.03938	2.0
67.05505	42.8
69.03427	2.3
69.07068	21.2
71.01306	0.9
71.04990	2.1
71.08633	45.3
72.08946	1.3
79.05495	25.7
81.03419	100.0
81.07056	45.4
82.03758	1.9
83.04967	5.1
83.08620	35.0
85.06552	1.8
85.10182	21.5
91.05482	53.9
93.07044	17.1
95.04970	26.2
95.05566	1.8
95.08605	38.7
96.09002	1.0
97.02896	2.7
97.06520	2.4
97.10173	10.7
97.56187	1.1
98.23396	1.6
99.08082	1.1
99.11703	1.9
103.05472	2.0
105.07030	42.9
107.04956	7.5
107.08605	6.2
109.06517	2.8
109.10155	17.0
111.04476	1.7
111.08086	9.4
111.11723	3.0
113.13332	1.1
115.05484	2.7
116.06275	1.3
117.07014	4.5
119.04964	1.9
119.08584	26.1
119.09447	1.3
121.06483	1.8
121.10120	4.9
123.08047	1.9
123.11710	9.1
125.13276	2.1
128.06216	2.9
129.05484	2.8
129.06993	16.4
131.08571	20.7
133.06534	4.1
133.10129	33.6
135.11751	1.5
137.09642	1.1
137.13284	2.7
142.07787	6.8
145.10141	3.2
145.11522	0.9
147.08044	3.3
147.11684	21.4
147.12764	1.7
149.09641	3.3
149.13280	3.2
157.10136	20.2
159.11690	1.5
175.11188	62.0
176.11571	1.7
185.13254	1.1
193.12247	62.2
229.11673	1.0
231.13841	1.6
237.22237	1.1
239.23723	12.4
249.14954	9.1
257.24707	1.1
313.27359	36.0
314.27689	1.5
417.29843	1.0
423.77386	1.0
469.62701	1.0
505.38849	91.8
506.39316	9.3
512.55524	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.3
53.03939	4.4
55.01874	12.6
55.05513	22.6
57.03442	10.0
57.07079	31.9
65.03932	2.8
67.05508	32.3
68.99230	5.4
68.99655	5.6
69.03421	1.9
69.07069	29.4
71.04992	2.7
71.08636	22.1
73.02950	2.0
77.94718	1.2
79.05494	28.0
79.05965	1.6
79.79126	1.4
80.55550	1.3
81.03417	11.4
81.06589	2.1
81.07062	43.1
81.44898	1.3
83.04967	4.7
83.08617	25.4
85.10175	12.4
89.06042	1.7
91.05481	66.8
92.05791	1.9
93.07042	21.8
95.04961	7.5
95.08614	21.4
97.06532	2.7
97.10160	13.4
98.23347	3.5
103.05494	1.6
105.07034	77.1
106.07424	1.5
107.04966	2.1
107.08596	11.8
109.06495	1.9
109.10136	9.2
111.08083	2.5
111.11713	4.5
115.05464	2.3
116.06223	1.6
117.07008	7.0
119.08577	31.2
120.08981	1.3
121.10136	6.1
123.08056	1.1
123.11698	4.8
125.13215	2.0
128.06216	1.9
129.05521	7.3
129.06995	18.3
131.08577	24.9
133.06503	3.4
133.10127	62.0
134.10432	1.5
135.11708	4.5
137.13240	2.0
142.07820	7.3
145.10098	2.4
147.08040	4.1
147.11691	37.2
149.13264	8.6
157.10120	22.2
158.42334	1.5
159.11740	2.9
162.27689	1.2
162.81206	1.4
175.11183	100.0
176.11594	3.1
177.12793	1.9
193.12262	5.5
195.13860	4.3
212.31271	1.3
213.14772	1.8
237.22154	3.6
239.23703	4.7
249.14912	5.2
257.24811	2.3
313.27356	78.1
314.27753	3.4
367.96091	1.5
505.38913	32.6
506.38907	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.8
55.01875	2.1
55.05515	16.5
57.03439	2.3
57.07078	50.9
58.07358	0.9
61.67387	1.0
65.03929	2.2
67.05507	36.9
68.09082	1.0
69.03433	2.4
69.07072	17.4
71.05004	1.6
71.08634	39.7
79.05495	19.9
81.03420	100.0
81.07055	38.4
82.03751	2.4
82.41039	0.9
83.04998	4.8
83.08620	37.6
85.06549	2.4
85.10183	17.7
89.37913	1.1
91.05485	26.3
93.07048	14.4
95.04973	30.1
95.08610	37.5
97.02907	2.8
97.06519	3.3
97.10178	11.3
98.23450	2.4
102.38504	1.1
105.07027	15.2
107.04967	6.6
107.08612	5.5
109.06507	2.5
109.10154	16.2
109.43440	0.9
111.04450	1.1
111.08086	8.9
111.11734	3.4
115.05446	2.2
117.07026	2.5
119.08580	13.0
121.06507	2.2
121.10131	7.0
123.04449	1.9
123.08084	1.5
123.11726	7.6
125.13277	2.1
129.07014	12.8
130.07198	1.0
131.08577	10.1
133.06520	3.1
133.10117	4.7
135.11703	1.3
137.09644	2.4
137.13258	2.1
139.14816	1.4
142.07787	4.5
145.10152	2.7
147.08063	4.4
147.11682	7.4
149.09624	6.6
149.13235	1.3
151.14825	2.0
157.10121	10.0
157.74637	1.0
161.33907	1.1
165.12752	2.2
168.55777	1.0
169.87195	1.2
175.11172	10.4
185.13214	1.5
193.12242	67.5
194.12616	2.1
231.13858	1.8
233.13574	1.1
237.22269	1.6
239.23672	11.6
249.14844	6.3
413.34399	2.2
433.69565	1.1
487.37973	1.7
501.40808	1.0
505.22672	3.7
505.38873	91.2
506.39203	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	505.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.5
55.01876	2.5
55.05510	22.6
57.03434	2.9
57.06804	3.3
57.07077	54.8
58.06593	4.7
58.07383	1.5
60.08142	1.6
65.03928	5.0
67.05505	58.2
67.81300	1.4
69.03427	2.3
69.07067	27.7
71.04979	4.1
71.08632	38.7
77.03904	1.5
79.05495	49.0
81.03423	26.6
81.07055	54.7
82.07368	1.2
83.04555	1.8
83.04989	20.4
83.08622	24.5
85.02898	2.0
85.06532	3.8
85.10177	18.9
91.05481	64.4
93.06481	1.8
93.07049	32.0
95.04965	15.7
95.08607	45.2
97.02882	2.8
97.06509	4.0
97.10172	9.7
98.23351	3.8
99.08086	2.4
99.11707	2.0
103.05424	2.2
105.03384	13.1
105.04495	2.4
105.06384	2.3
105.07033	35.0
107.04951	12.2
107.08601	7.0
109.06519	5.7
109.10163	17.4
111.08049	2.9
111.11707	1.9
115.05493	1.9
117.07021	3.5
119.08578	22.0
121.06521	1.5
121.10127	6.4
123.08060	1.8
123.11697	7.4
125.09668	1.6
125.13259	2.0
127.07572	3.6
128.06183	1.7
128.25677	1.6
129.06984	14.5
131.08551	14.6
133.06419	2.1
133.10129	30.7
135.11678	1.6
137.13240	3.5
142.07774	4.5
145.02824	2.0
145.10147	4.3
147.08026	3.4
147.11687	16.2
149.09593	3.9
151.14713	2.1
157.10121	17.9
163.11148	4.1
175.11200	16.3
176.19124	1.4
177.05499	2.1
193.12236	33.5
195.13945	1.7
211.13248	5.2
221.22621	2.3
236.14880	4.3
237.15204	3.9
238.15399	5.3
239.15964	2.1
239.23724	9.5
267.15930	2.4
313.27261	6.3
416.53659	1.4
487.40628	4.6
505.38751	100.0
506.38907	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	506.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
57.03441	11.1
59.05000	4.4
60.04523	2.5
61.02937	2.3
69.03435	42.1
70.06627	7.2
71.01336	1.5
75.04491	1.8
81.03433	3.0
82.93660	1.6
83.05013	1.5
85.02436	2.4
85.02913	31.5
87.04473	29.9
89.03902	3.6
97.02900	35.7
99.04436	1.7
105.07007	1.9
115.03938	44.9
117.03376	15.4
119.04947	1.8
127.03922	2.3
128.17128	1.5
131.04938	2.3
133.04970	41.3
135.04404	2.5
145.02849	39.8
145.04959	4.8
147.04431	2.6
149.06000	5.5
150.07603	9.8
163.03918	2.9
163.07574	1.6
175.07567	4.6
177.05479	100.0
178.05798	4.2
180.08650	3.0
191.07065	3.0
195.06535	62.8
196.06837	2.4
219.06488	4.7
243.06540	2.0
255.06575	1.9
259.08215	2.1
282.90936	1.4
309.09940	1.7
333.07922	2.4
334.08264	4.8
335.09344	2.6
336.09821	2.6
506.22940	31.5
507.18967	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07024	0.7
53.03942	1.0
55.01845	0.8
57.03433	1.5
61.02908	1.9
69.03429	8.4
71.04978	0.7
71.28875	1.0
73.02903	0.8
81.03425	3.9
83.04977	0.9
85.02903	16.6
87.04456	2.9
91.05471	5.5
95.04963	0.8
97.02885	10.5
99.04475	1.7
107.04986	0.6
108.23681	0.8
109.02866	1.9
115.03232	0.6
115.03922	3.8
116.59574	0.6
117.03381	1.4
119.04941	16.5
123.04452	1.7
127.03909	4.3
133.04956	3.0
135.04445	1.3
137.02333	2.7
145.02873	3.3
145.04985	6.0
147.04405	100.0
148.04745	2.5
149.06052	0.6
151.07602	0.6
163.03899	2.6
163.06038	1.3
165.05479	27.8
166.05789	1.2
177.05467	8.7
179.03426	0.7
195.06564	3.1
197.04372	1.3
205.12181	0.8
222.24611	0.6
238.77129	0.6
291.08884	0.8
309.09735	2.7
328.44257	0.6
438.74231	0.7
475.17685	0.8
478.52142	0.7
506.15997	3.4
507.20148	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	506.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.6
54.79337	2.0
57.03440	13.3
60.04533	2.0
69.03429	47.1
69.68853	2.2
69.84647	9.7
70.06576	3.3
70.17988	2.0
75.99010	2.0
80.05022	2.0
81.03409	3.6
85.02915	31.2
87.04466	30.5
89.03928	4.8
89.59348	2.1
96.04476	2.5
97.02892	38.9
99.04471	3.8
115.03922	47.2
115.05428	2.4
117.03371	17.6
119.04910	3.6
126.74046	2.3
127.03926	5.6
133.04968	43.4
137.02292	2.9
145.02861	40.1
145.04945	3.9
147.04431	7.4
149.05978	9.0
150.07599	10.6
163.03899	3.9
166.09732	2.2
169.04932	2.3
175.07491	4.1
177.05463	100.0
178.05788	4.3
180.06494	2.8
180.08701	3.2
195.06534	58.8
219.06516	5.8
281.24756	2.1
309.14398	7.8
359.12036	2.4
506.22504	6.3
507.23495	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	506.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.7
55.01857	1.6
55.05511	2.2
57.03437	3.0
61.02915	2.1
65.03943	1.3
67.05490	3.9
69.03435	15.4
70.06592	1.7
71.04994	2.2
71.29159	2.1
73.02925	1.9
79.05495	2.5
81.03412	5.9
83.04986	1.6
85.02908	27.7
86.05992	1.6
87.00838	2.0
87.04457	3.9
91.03964	1.4
91.05479	10.0
93.07063	4.7
95.04963	3.5
95.08584	2.3
96.04515	1.6
97.02895	10.4
99.04463	2.4
105.07044	4.7
107.04938	1.3
107.08588	8.7
109.02870	5.1
109.06554	1.6
109.10152	1.4
113.05991	1.6
113.92916	1.3
115.03929	4.1
119.04954	17.9
119.08597	8.7
121.06492	7.7
121.10150	4.6
123.04436	3.5
123.08057	3.6
127.03916	8.8
129.07056	1.6
131.08549	3.6
133.05011	2.8
133.06450	1.2
135.08066	9.0
135.11737	2.0
137.02419	1.2
137.09595	1.6
144.09265	1.3
145.02824	6.0
145.04951	7.0
145.10141	11.5
147.04408	100.0
147.08061	4.0
148.04785	3.0
149.05946	1.7
151.07530	2.2
154.94852	1.0
159.08018	1.5
159.11667	9.3
161.09605	1.8
163.03908	3.0
163.06087	1.6
163.07640	1.8
163.11179	4.0
165.05473	32.8
165.09109	1.9
172.27051	1.2
177.05441	9.9
177.12746	3.7
179.10667	2.5
187.11226	3.9
195.06485	5.8
197.05925	1.3
200.11351	1.5
200.85709	1.3
205.12239	33.8
206.12619	2.3
223.13268	12.6
224.13377	1.3
231.04948	1.3
231.41968	1.3
280.01563	1.2
309.09665	5.4
344.20590	1.7
345.95129	1.2
453.17365	1.4
474.99799	1.2
489.19427	1.8
506.22787	2.1
507.19977	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22243	1.4
53.03930	4.3
55.01857	1.9
55.05513	8.8
55.07517	1.7
55.51368	1.7
57.03428	5.1
59.05006	1.6
60.83289	1.6
61.02935	1.7
65.03902	1.7
67.05500	3.4
69.03428	30.2
70.06560	2.3
71.05000	3.0
71.28982	2.2
73.02916	1.9
79.05487	4.2
81.03423	9.7
81.07050	3.0
83.04967	11.0
84.04514	1.8
85.02905	36.8
85.06579	1.5
86.06068	5.4
87.00822	9.3
87.04458	5.5
91.05462	9.8
93.07050	4.4
95.04971	4.4
95.08589	7.2
96.04482	4.2
97.02893	24.8
97.06509	4.4
99.04449	7.0
99.08067	3.5
105.01866	17.4
105.07018	6.6
107.01270	1.6
107.08566	4.7
109.02878	12.5
109.06499	4.5
109.10144	3.4
113.05979	4.3
115.03922	3.5
117.03444	1.9
117.06989	1.6
119.04938	17.4
119.08594	7.2
121.06504	1.8
121.10138	5.9
123.04425	4.9
123.08038	8.0
124.07581	2.4
125.06024	3.6
127.03911	19.1
129.05507	2.2
129.85201	1.5
131.08635	1.7
133.04990	4.1
134.06046	2.4
135.08035	3.7
136.07616	2.4
137.02365	3.8
137.09624	4.9
138.05434	2.2
145.02838	3.6
145.04958	17.2
145.10089	4.2
147.04402	100.0
147.08020	5.6
148.04762	2.2
152.07060	2.6
159.02901	3.0
159.07977	2.8
159.11671	6.1
162.48126	1.7
163.03893	6.4
163.11188	12.8
165.05441	12.2
165.09102	10.1
165.49773	1.4
177.05475	9.7
177.12741	2.4
179.10844	2.3
180.06503	11.5
181.12155	1.7
182.08163	4.3
187.11217	3.2
195.06503	4.0
198.07593	2.7
205.12225	27.4
223.13287	21.8
231.04973	8.0
252.16074	2.4
291.08698	3.8
303.51764	1.5
309.09619	10.5
326.19778	3.9
344.20502	2.0
421.11636	1.8
475.17975	2.4
506.16653	1.8
507.20663	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	506.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	28.5
55.05729	4.3
57.03443	7.9
57.07079	19.7
60.08173	9.9
61.02932	7.7
67.05506	100.0
67.96369	4.4
69.07063	27.1
69.08696	4.1
69.09020	38.5
71.04977	4.4
71.08637	8.2
79.05488	33.8
81.07054	91.8
82.07405	7.5
83.08612	16.9
86.09699	19.5
91.05449	24.2
92.05737	4.7
93.07051	29.3
95.08609	72.8
97.06536	8.5
97.10167	7.8
99.08100	6.8
104.10767	40.2
105.07046	18.0
107.08616	14.0
108.00785	4.6
109.10158	35.7
119.08553	22.5
120.08081	7.1
121.10144	21.6
123.11704	14.2
125.00032	10.0
127.11169	7.4
133.10136	31.5
135.11713	18.5
137.09505	4.7
137.13266	16.3
147.11708	14.8
149.13322	7.6
151.14836	14.9
153.12776	6.0
161.13277	22.1
184.07356	37.8
189.16391	5.4
217.19489	82.7
235.20572	75.5
235.22707	8.1
309.24234	35.3
331.49750	5.5
432.63660	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	506.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.7
55.01868	5.2
55.05513	19.5
57.03443	7.7
57.07078	8.7
65.03935	4.2
67.05506	97.2
68.05835	3.3
69.03426	12.6
69.07069	22.5
71.04998	3.4
71.07497	4.2
71.08640	5.4
77.01720	2.3
79.05495	35.2
81.03409	20.1
81.07059	100.0
83.04967	4.7
83.08615	16.0
85.02898	16.3
85.06563	3.8
91.05483	40.4
93.07054	38.9
95.04984	9.3
95.08604	59.3
97.02906	9.3
97.06529	4.1
97.10195	5.6
99.04478	5.0
99.08094	15.4
105.03430	3.6
105.07025	27.8
107.04967	4.5
107.08599	25.3
108.87849	2.2
109.02917	2.9
109.06507	3.7
109.10150	23.0
110.10476	3.9
111.04457	3.8
111.08101	3.6
113.09657	2.5
117.07025	7.9
119.08570	22.8
120.08937	2.5
121.10130	24.2
123.08138	4.1
123.11732	19.7
125.09673	4.0
127.03967	7.2
129.07060	5.6
131.08566	11.2
133.10132	21.2
135.11702	15.7
136.12065	2.9
137.09639	4.0
137.13235	6.6
143.08609	4.3
145.04962	3.6
145.10152	9.9
147.08032	4.7
147.11659	17.2
149.09634	3.9
149.13298	9.7
151.11209	3.6
151.14850	5.0
157.10115	5.5
159.11700	7.0
161.13271	11.7
163.14832	2.7
165.09134	5.6
169.10114	3.4
171.08083	3.2
171.11656	4.3
173.13269	3.9
175.14816	7.7
185.09567	3.0
185.13303	4.7
191.14122	2.4
193.12302	2.4
215.18005	3.7
217.19489	19.2
233.19072	6.8
235.20627	18.7
247.20610	2.6
251.20123	3.0
259.20624	8.1
260.20978	5.6
261.14822	2.8
263.19998	6.4
265.21698	5.9
275.20181	3.1
277.21677	2.9
287.20236	2.9
289.21664	5.5
301.21371	3.1
308.89417	2.8
325.21732	4.0
333.52213	2.8
341.52637	2.2
343.22656	18.4
361.23679	21.5
379.24759	24.5
397.25854	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	507.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.8
53.00313	10.0
53.03943	10.2
55.01877	22.9
55.05515	54.6
57.03437	9.2
57.07074	3.1
59.04998	8.9
65.03935	3.9
67.05507	51.4
69.03380	9.2
69.07074	14.1
71.01355	6.0
71.05000	10.1
71.08634	1.2
73.02934	1.9
75.69700	1.0
77.03941	1.0
77.33483	0.9
79.05496	67.7
80.05844	0.9
81.03424	35.8
81.07061	71.2
82.07396	1.1
83.01346	15.5
83.04981	32.6
83.08620	31.8
85.02899	7.2
85.06529	4.2
91.05483	85.4
92.05805	2.3
93.03418	1.3
93.07046	74.0
94.07373	1.6
95.04976	25.4
95.08607	26.9
96.82376	0.8
97.02895	13.5
97.06524	22.9
97.10194	5.4
98.23447	1.8
99.00818	34.6
99.04452	7.1
99.08102	1.6
101.02376	1.1
103.05459	6.6
105.04534	2.5
105.07034	61.6
106.07362	2.0
107.04961	28.7
107.08597	38.3
109.02882	19.9
109.06522	18.6
109.10171	14.7
111.04449	9.1
111.08076	11.2
113.05968	1.2
115.03940	5.2
115.05481	2.5
117.07005	18.7
119.04965	2.7
119.08585	35.6
119.09445	1.8
121.06511	27.3
121.10152	18.9
121.48181	0.9
123.04456	5.8
123.08071	18.6
123.11742	5.6
123.12526	1.0
125.05978	2.5
125.09657	3.6
127.03910	5.4
127.07571	4.0
128.06204	6.5
129.07004	4.9
130.07802	3.0
131.04926	1.7
131.08586	9.3
133.06522	4.1
133.10133	78.3
134.10481	2.1
135.04449	1.5
135.08061	8.2
135.11699	24.1
137.06003	3.6
137.09656	6.4
139.07536	11.6
143.08554	10.9
145.06483	4.9
145.10124	30.6
146.07294	1.1
147.04446	1.7
147.08044	7.6
147.11742	2.1
149.05969	2.1
149.09578	2.1
151.07677	1.4
151.11191	23.7
153.06963	1.5
153.12756	7.6
155.08565	2.5
157.10199	1.0
159.08034	1.2
161.02339	1.2
161.06015	1.5
161.09622	44.2
162.09988	1.2
163.03947	4.5
163.11191	53.4
164.11613	1.9
165.09128	4.1
171.08067	8.8
171.11681	1.2
173.02325	2.4
173.09607	7.7
179.10670	27.7
181.12242	9.9
182.12465	1.0
189.09126	26.3
190.09502	1.3
191.10674	6.2
193.12242	1.3
197.11749	11.1
207.10149	11.8
209.11703	14.4
215.07066	3.2
223.09276	1.5
225.11227	33.1
226.11551	1.7
227.12778	7.6
229.95773	1.1
231.10110	1.0
241.08308	1.2
243.12288	5.0
259.09689	8.9
281.13828	9.2
283.15457	2.1
299.14938	2.1
425.30701	1.5
443.31635	2.1
448.44205	1.0
461.32703	1.2
507.25842	100.0
508.26086	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	507.2721
Annotation	Amoritin
Peak:m/z	Relative Intensity
53.03928	3.9
55.05532	15.0
57.03436	9.7
57.03968	2.7
57.07069	5.8
60.08176	4.6
65.03949	5.2
65.40098	3.1
67.05507	58.9
69.07066	11.2
70.43781	10.5
71.08621	3.9
79.05501	31.8
81.07061	54.3
83.08601	7.7
85.10164	2.6
86.09702	16.5
91.05484	26.0
93.07052	44.0
95.04970	7.3
95.08607	43.4
97.06526	7.6
97.10166	3.3
98.98476	66.0
104.10756	23.2
105.07018	16.9
107.08602	29.0
107.16434	2.9
109.10162	22.5
112.26867	3.0
117.07008	3.9
119.08607	15.1
121.10159	21.0
123.11726	9.7
125.00005	6.5
131.08577	11.0
133.10100	18.9
135.11696	11.2
137.13354	4.3
145.10133	12.2
147.04425	5.0
147.11691	7.7
148.04829	4.7
149.13243	7.3
155.01071	19.4
159.11697	6.3
161.13225	5.3
163.11169	4.8
163.14812	3.3
165.69803	3.0
173.02065	6.2
173.13214	6.9
184.07385	29.8
243.21088	7.5
247.05954	4.0
261.22153	20.8
265.02802	2.9
286.62695	3.1
317.24799	11.5
335.21805	5.4
335.25833	100.0
336.26022	4.4
349.80557	3.3
423.21378	3.6
471.25098	3.7
507.33011	4.0
507.41754	7.9
508.34207	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	9.6
54.01424	2.0
55.01875	12.0
55.05515	37.3
57.03161	1.6
57.03432	12.6
59.04996	4.2
62.97976	1.6
64.57155	1.8
65.03947	2.5
67.05506	68.8
67.95686	1.8
69.03403	3.1
69.07070	17.3
71.04998	5.9
73.06538	2.2
79.05494	100.0
81.03416	24.2
81.07060	65.0
83.01340	9.5
83.04982	29.5
83.08619	16.9
85.02892	4.9
85.06543	3.5
85.83283	1.8
91.05481	80.3
93.07047	94.3
94.07380	2.1
95.04969	33.3
95.08602	39.1
97.02896	2.2
97.06544	14.6
97.10183	5.5
98.22630	4.1
99.04448	3.6
99.08110	1.9
103.05460	2.6
105.04514	4.2
105.07031	56.5
107.04961	19.3
107.08591	29.6
109.06538	16.2
109.10155	9.3
111.04459	8.8
111.08071	7.6
117.06997	18.3
119.08585	34.8
121.06486	6.8
121.10135	13.7
123.08088	17.2
125.06003	3.8
125.09545	3.5
128.06226	4.7
129.07022	22.7
131.08554	10.1
133.10138	15.2
135.08054	4.2
135.11674	13.9
137.09615	2.4
143.08559	12.2
145.06485	1.8
145.10135	27.4
147.08080	6.1
147.11697	42.2
153.12752	7.4
155.08641	2.4
161.09601	8.5
161.13268	14.7
163.11188	29.0
165.09074	2.6
171.11687	32.1
173.09645	3.9
181.12253	7.8
189.12778	13.7
191.10617	9.2
207.13826	41.2
209.11736	10.3
225.14700	2.5
227.12746	13.2
248.73756	2.0
255.49361	1.9
259.09644	3.3
265.14398	3.4
281.17493	56.7
283.15384	56.7
344.77057	2.0
373.13675	2.6
418.81213	2.1
433.15518	3.3
447.17313	4.5
471.27188	2.2
475.16934	6.4
489.28458	75.3
490.28806	6.1
507.19540	9.4
507.29266	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	507.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.9
51.64851	0.6
53.03941	3.7
55.01867	2.4
55.05512	24.0
55.75358	0.6
56.29549	0.6
57.03442	4.8
57.07077	62.2
58.07411	0.8
65.03943	4.3
67.05505	78.7
67.95346	0.6
68.05830	1.1
69.07068	30.6
70.49766	0.6
70.94555	0.5
71.04993	3.5
71.08632	43.5
72.08988	1.2
77.03913	0.8
79.05495	46.1
81.03416	3.4
81.07057	95.8
82.07397	1.4
83.04985	11.7
83.08620	30.1
85.06527	5.0
85.10185	24.2
89.56918	0.6
91.05479	28.7
93.07045	53.8
94.07371	0.8
94.49577	0.6
95.04955	8.3
95.08607	55.4
96.05480	0.5
96.08932	1.2
97.06525	10.7
97.10167	10.0
99.08076	3.0
99.11769	1.6
103.05595	0.6
105.04507	1.5
105.07041	11.2
107.04974	1.4
107.08601	27.3
109.06529	2.7
109.10159	20.2
111.08083	5.8
111.11702	3.0
113.05972	0.6
113.09682	0.8
115.05467	1.1
116.06271	0.7
117.07017	11.3
119.08560	3.9
121.06481	1.3
121.10152	11.6
123.08030	0.9
123.11710	10.0
124.12026	0.6
125.13282	1.0
127.07540	1.0
127.14862	0.7
129.06967	0.6
131.08566	11.0
133.10135	10.6
133.11072	1.1
135.08078	2.4
135.11696	8.9
137.13252	3.3
139.07562	0.6
139.14862	0.8
145.10173	1.1
147.11670	1.7
149.09607	1.1
149.13260	24.7
149.14465	1.2
150.13635	0.9
151.11169	0.8
151.14819	0.9
153.85875	0.5
159.11691	12.2
165.16418	0.9
167.14319	0.7
177.12746	5.7
187.14795	0.8
193.44917	0.5
195.13809	14.6
206.77942	0.6
213.14923	1.8
221.22687	1.9
232.39583	0.5
233.15532	0.7
239.23689	10.2
240.24077	0.7
244.96027	0.7
251.16580	1.4
251.65373	0.7
281.65363	0.6
313.27463	1.8
507.40457	100.0
508.40762	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	507.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.1
55.01862	2.2
55.05514	24.2
57.03440	4.0
57.07077	60.8
58.07422	1.3
65.03949	3.4
67.05506	70.6
68.05858	2.2
69.03432	1.3
69.07068	33.1
71.04993	5.1
71.08630	41.5
72.08987	1.7
73.83236	1.0
76.00176	0.9
79.05492	35.7
79.46712	1.2
81.03431	4.5
81.07056	100.0
82.07399	2.5
83.04992	5.1
83.08617	29.7
84.08971	1.2
85.06557	4.0
85.10179	24.0
85.10658	1.8
91.05479	21.6
93.07043	51.0
95.04959	7.0
95.08605	49.8
97.06523	9.9
97.10172	9.5
99.08103	2.0
99.11745	1.8
105.04551	1.5
105.07026	9.4
107.08596	25.2
107.09288	1.7
109.06548	2.5
109.10158	16.7
111.08070	4.3
111.11684	2.0
113.09666	1.2
113.13252	1.5
117.07011	8.4
119.08581	2.6
121.06501	1.9
121.10140	12.9
123.08069	1.3
123.11704	9.7
125.09677	1.0
125.13304	1.5
131.08553	8.3
133.10123	12.4
135.08070	1.6
135.11694	6.4
137.13293	2.7
139.11079	1.0
147.11684	1.6
147.97617	0.9
149.13255	24.1
151.11206	1.8
151.14853	2.1
159.11700	9.1
167.14308	1.3
177.12724	5.1
181.57007	1.0
193.34979	0.9
195.13809	11.5
239.23718	8.7
249.00624	0.9
339.90378	1.1
507.40482	89.0
508.40851	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	507.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61780	0.7
51.02360	0.8
51.80458	0.8
53.03940	3.5
53.10374	0.7
55.01869	1.5
55.05513	21.5
57.03434	2.8
57.07078	59.7
58.07407	1.1
65.03930	3.7
67.05506	74.2
68.05859	0.9
69.07069	27.1
69.27516	0.8
71.04999	2.8
71.08631	41.8
73.02891	0.9
75.58504	0.7
78.84056	0.8
79.05494	39.0
81.03422	2.3
81.07058	95.3
82.07400	1.4
83.04984	9.0
83.08618	30.4
84.08939	0.9
84.25011	0.8
85.06523	3.8
85.10183	24.3
86.10510	0.8
90.58270	0.7
91.04906	1.1
91.05480	24.9
93.07044	45.9
95.04980	6.5
95.08607	56.2
97.06541	9.7
97.10165	11.8
98.23351	2.2
99.08088	2.6
99.11716	2.5
105.04561	1.4
105.07052	8.9
107.04906	1.0
107.08594	23.8
109.06514	2.6
109.09446	1.7
109.10162	18.9
111.08076	7.3
111.11720	2.9
113.06019	0.8
113.09640	0.8
115.05496	1.3
117.07030	9.7
119.08596	2.3
121.06508	2.3
121.10142	12.2
123.08140	0.9
123.11716	11.4
125.13248	1.3
129.06996	1.0
131.08546	9.7
133.10123	11.1
135.08047	2.4
135.11700	7.7
137.13286	3.7
139.11241	0.8
139.14745	1.0
147.11703	1.6
149.09674	1.4
149.13258	27.5
149.56583	0.8
151.11195	1.7
151.14833	1.6
159.11693	11.2
165.16333	1.2
167.14331	1.0
177.12717	6.6
195.13820	17.1
201.45963	0.9
213.14789	1.0
221.22676	1.5
233.15480	1.3
239.23694	12.6
251.16376	1.2
409.49667	1.0
419.67938	0.9
507.40442	100.0
508.40811	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94104	0.6
54.68993	0.6
56.96575	1.0
64.64924	0.5
69.03430	0.7
69.20425	4.0
69.20836	0.9
75.49362	0.5
79.05491	1.0
85.02905	1.0
91.05466	1.0
93.07067	1.5
97.02924	0.6
98.97575	1.7
103.05454	6.1
107.04948	1.7
109.98932	0.6
110.97552	0.9
119.62272	0.6
120.08108	100.0
121.08447	2.4
127.03982	0.6
131.04930	2.6
136.47618	0.5
147.04411	0.7
149.06003	1.8
166.08643	48.6
167.09012	1.0
168.03583	0.7
170.99753	0.6
177.00575	0.6
191.24127	0.6
219.01808	0.6
237.02866	1.3
242.56796	0.5
319.06992	0.6
483.89560	0.6
518.03516	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.9
61.02928	2.2
61.19318	1.5
62.13988	1.7
65.68925	1.8
69.03431	13.3
69.46268	10.6
70.06595	5.7
81.03428	4.7
83.04992	4.2
84.08141	2.8
85.02905	9.2
88.04009	2.9
91.05479	3.1
95.04987	1.9
97.02866	7.8
99.04453	4.4
107.04935	3.2
109.02914	2.6
109.10168	1.7
119.04986	5.5
123.04456	2.4
124.11266	1.7
127.03944	4.3
135.04428	5.9
135.67737	1.7
137.05991	1.7
139.03883	9.4
145.02899	4.8
145.04990	2.8
147.04417	11.9
148.04797	2.0
149.09624	1.8
163.03906	48.3
163.05170	3.0
165.05486	2.9
178.68135	1.6
181.05077	1.9
187.12442	1.9
201.05411	2.0
201.13902	3.1
207.09566	3.4
207.13860	3.2
213.09137	5.7
220.10370	5.1
225.14874	2.2
233.11150	3.0
234.11833	2.3
235.12640	100.0
236.13019	3.7
283.08286	3.6
325.09161	24.2
379.18265	2.9
451.19437	1.7
462.94794	2.0
463.20422	7.4
476.18240	5.2
490.20859	2.0
508.22076	70.5
509.22705	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	508.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67675	7.5
53.03953	8.9
53.35888	7.5
55.01878	10.9
55.05517	25.6
55.26162	6.4
57.03434	11.2
67.05499	26.1
67.71880	7.0
69.03439	37.3
69.07077	10.1
69.09106	6.5
70.06596	13.3
70.32668	21.3
71.04987	13.7
79.05498	20.2
81.03415	23.9
81.07063	36.0
83.04984	27.9
85.02905	69.3
85.06526	8.5
87.00835	23.7
87.04470	9.6
91.04896	6.5
91.05477	28.5
93.07050	18.0
95.04969	24.5
95.08606	32.1
96.04405	8.5
97.02889	27.2
97.06512	15.2
99.04443	49.4
105.01866	21.4
105.07043	37.9
107.08579	39.3
109.02901	17.9
109.06510	29.4
109.10182	46.9
111.08085	13.7
119.04932	15.1
119.08598	36.2
121.10162	71.3
123.08090	46.5
123.11683	15.0
125.09612	9.6
127.03912	30.9
131.08580	19.2
133.10135	17.3
135.11694	8.4
137.09612	28.7
137.13283	16.8
137.92986	7.8
143.08627	9.0
145.05009	18.1
145.10121	15.2
147.04437	36.5
147.11716	47.9
149.09615	60.4
151.07578	11.6
151.11198	12.5
153.09114	17.6
155.10732	14.0
156.09314	15.5
159.02972	7.8
159.11693	12.2
161.13239	40.4
163.11189	12.8
165.12758	18.0
169.08595	10.8
171.11525	10.4
177.05449	13.0
179.14366	13.4
181.12239	7.4
182.08153	14.6
189.12752	40.2
200.09233	10.5
201.66518	6.7
207.13838	77.0
225.14845	100.0
231.05034	13.7
243.15913	50.4
260.08347	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	508.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	23.9
57.03432	6.7
57.07066	12.8
60.08152	17.1
61.02926	7.2
67.05507	43.6
69.07065	32.6
69.58392	30.9
79.05482	29.9
81.07053	55.5
83.08611	34.1
85.99264	6.3
86.09709	57.6
91.05466	9.5
93.07034	33.7
95.04268	5.0
95.04936	6.3
95.08608	32.3
97.06522	13.3
97.10168	8.6
98.98466	17.8
104.10750	100.0
105.06989	8.6
107.08592	20.2
109.10179	12.7
121.10136	40.6
123.11683	14.2
124.99988	35.3
135.11681	21.8
137.13254	10.0
149.13239	12.7
163.14742	6.0
184.07343	96.8
209.46054	6.0
219.21048	33.1
237.22125	61.3
247.82642	5.6
255.23161	11.7
311.25766	44.6
329.26871	13.2
508.34262	27.8
509.35989	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	508.348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00778	2.3
53.03945	5.6
54.27554	2.2
55.01873	4.5
55.05513	63.5
57.03428	6.8
57.07080	20.3
57.65860	2.4
65.03938	3.2
67.05506	86.1
68.76601	2.1
69.03427	22.8
69.07076	100.0
71.01359	2.2
71.04981	9.2
71.08637	8.3
79.05497	47.7
80.37461	2.2
81.03416	41.4
81.07055	93.1
83.04980	5.6
83.08622	60.5
85.02908	34.8
85.06528	4.1
85.10191	6.0
88.88755	2.3
91.05478	24.1
93.07047	55.7
95.04980	10.7
95.08604	72.7
97.02893	22.8
97.06524	8.8
97.10174	31.1
99.04457	6.2
99.08096	3.7
103.05478	3.3
104.10728	2.2
105.07032	35.3
106.07463	2.7
107.08597	38.0
108.04477	3.6
109.02882	8.5
109.06476	3.4
109.10162	31.5
111.04416	7.1
111.08086	8.2
111.11713	12.1
113.09618	4.5
117.07010	2.6
119.08582	8.9
121.06522	4.0
121.10139	54.8
123.04439	3.7
123.08097	3.1
123.11707	18.2
125.09669	4.9
125.13300	4.0
127.03912	18.9
129.05478	2.9
129.07030	2.8
131.08580	5.1
133.06493	19.2
133.10158	7.5
135.08055	23.6
135.11703	38.4
137.13278	9.6
139.11247	4.7
143.08607	3.6
145.04950	13.3
145.10175	5.1
147.08023	3.0
147.11685	5.7
149.13229	13.3
151.07553	9.7
151.14830	3.7
157.10152	2.7
157.20093	2.6
161.13243	4.0
163.14833	9.4
173.11813	2.7
173.13274	3.7
175.14850	4.2
177.16406	5.0
179.14388	2.9
181.10197	2.8
184.07294	4.9
191.14349	3.6
193.15916	2.5
198.12828	4.2
205.12291	2.5
217.19536	4.6
219.21039	26.4
231.21162	2.4
233.15349	2.7
234.22346	2.6
237.22118	70.4
237.24442	4.9
238.22438	2.8
249.22247	5.1
265.21527	3.8
277.21533	5.3
279.23044	7.8
291.23291	7.2
295.22635	6.3
303.23203	5.2
307.22757	5.0
311.16724	17.2
315.22995	2.6
317.24713	4.1
321.24133	11.6
327.23053	9.1
329.26724	2.6
333.24368	4.0
335.25732	3.4
345.24207	45.0
346.24063	2.8
363.25266	54.2
364.25626	2.8
381.26291	69.7
390.12326	3.3
399.27374	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.0324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78007	0.4
56.96561	0.5
64.34159	0.4
69.51594	1.9
70.51209	0.4
94.31586	0.3
98.22702	0.4
98.97577	2.8
101.00898	1.7
116.98631	2.7
117.30391	0.4
119.01927	4.4
134.99715	1.0
137.01959	0.4
137.02962	1.1
158.99876	0.7
177.00948	11.3
178.01096	0.8
201.00952	1.3
216.98941	0.9
217.04112	2.8
219.02005	23.1
220.02139	2.1
225.00826	3.3
235.00040	2.5
236.00044	1.6
236.99786	2.5
240.98949	1.0
242.99181	0.9
243.01984	10.8
244.02191	0.8
256.96558	0.6
258.99918	6.4
260.00064	3.3
261.00027	6.8
261.03052	100.0
262.00046	1.0
262.03210	11.3
262.99530	0.4
263.02960	1.0
264.98901	0.5
274.97751	1.4
276.97858	1.4
277.00970	6.1
278.01151	2.5
279.00827	5.3
280.00964	0.6
283.00031	7.6
284.00177	3.7
284.04602	1.5
284.99820	7.2
285.99924	1.5
292.98529	0.6
294.98901	0.7
298.97864	0.5
300.97955	0.5
301.01022	10.8
302.01141	5.5
302.97858	0.4
303.00891	9.7
304.01001	1.7
314.95667	0.4
315.95755	0.5
316.95651	0.8
316.98944	1.0
317.99152	0.7
318.98749	1.7
319.02118	0.5
321.01907	0.5
323.93948	0.4
342.98706	0.7
359.00116	1.4
360.00381	0.7
360.96164	0.5
361.00046	4.8
362.00058	0.6
366.98605	1.0
367.02502	1.9
371.48325	0.6
383.00085	1.1
384.00327	0.7
385.03458	20.3
386.03738	2.3
391.47507	0.5
401.01459	5.5
401.48193	0.4
402.01355	4.9
403.00537	13.0
403.04309	16.2
404.00500	1.6
404.04324	3.0
408.04681	0.5
425.01395	1.3
426.01663	0.8
427.00839	0.7
443.02649	2.3
444.02246	1.4
445.02036	1.5
446.01227	0.4
446.50085	1.0
446.99829	0.7
455.50427	0.5
456.00748	0.6
458.50647	0.4
485.00308	0.6
487.99237	0.6
499.49243	0.7
499.99286	1.2
500.49438	0.8
500.98203	0.6
508.49826	0.6
509.03586	6.5
510.03326	1.3
517.50610	0.5
518.00659	0.9
527.01202	12.8
528.01111	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	509.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80997	4.7
63.72582	3.9
67.05498	5.1
69.03427	12.2
69.25705	8.9
69.26112	26.0
71.85567	4.3
79.05488	11.0
80.05016	51.5
81.03419	8.5
81.07055	12.0
83.05000	7.8
85.02921	7.5
87.04468	31.5
91.05486	5.1
93.07050	9.6
97.06542	7.2
105.07051	9.2
109.10172	7.2
112.52486	5.4
119.08546	4.6
131.08528	5.0
133.10098	4.6
139.45148	5.3
145.10100	5.9
147.04401	5.5
159.84125	5.4
165.09138	4.6
166.08670	100.0
188.02202	4.7
198.96326	4.8
204.32301	4.7
285.60333	4.6
288.16583	5.4
309.65265	4.8
401.34338	4.9
509.23224	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	509.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06451	0.5
53.03938	2.0
55.01874	3.1
55.05513	7.7
57.03423	2.1
58.28533	0.6
67.05505	10.1
69.03420	1.4
69.07067	3.6
71.04968	1.0
71.29783	0.8
74.10538	0.5
79.05499	8.8
81.03425	4.5
81.07056	9.1
83.01337	0.9
83.04977	4.4
83.08619	3.3
85.02897	1.4
85.06548	0.9
85.14522	0.6
85.77545	0.5
91.05476	10.1
93.07042	9.8
95.04976	4.4
95.08600	4.2
97.02881	2.2
97.06510	2.8
97.10197	2.8
97.63988	0.6
99.04451	1.3
105.07018	6.1
107.04953	3.1
107.08591	5.8
109.02880	1.1
109.06499	2.2
109.10131	2.3
111.04451	4.4
115.05427	0.6
117.07022	3.1
119.08596	4.7
121.06462	1.5
121.10142	2.7
123.04398	0.9
123.08041	2.1
123.11668	1.1
125.05971	0.8
125.09604	2.3
129.07033	1.1
131.04829	0.6
131.08534	3.1
133.06488	0.8
133.10143	4.1
135.08041	1.3
135.11681	3.5
137.09531	0.7
138.85640	0.5
143.08551	1.3
145.06453	0.6
145.10118	4.1
147.07993	1.1
147.11674	1.9
149.09578	1.9
151.11134	1.1
153.12730	1.9
155.08557	1.3
157.10117	0.6
161.09613	1.3
163.11185	5.0
165.09143	1.3
167.10672	0.6
173.09576	1.8
175.11174	1.1
177.34949	0.7
179.10660	0.7
181.12236	2.3
189.09087	1.1
189.11197	1.2
191.10602	2.9
191.14391	0.7
193.12186	2.3
195.41586	0.6
201.12572	0.6
209.11717	7.7
211.13257	1.6
227.05287	1.2
227.12704	3.8
229.12297	0.6
245.06271	1.7
247.13266	1.3
248.76540	0.6
249.11057	1.2
271.04150	1.9
274.85526	0.7
283.15356	4.0
289.05264	4.1
353.20972	1.1
381.20547	1.9
399.21454	1.6
417.22568	2.5
423.23224	2.6
435.23190	1.1
447.23178	1.7
458.93143	0.7
465.24606	14.6
466.25287	1.0
473.25006	0.8
491.21887	12.0
492.22809	1.3
509.23343	100.0
510.23788	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	509.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.5
57.03442	0.4
67.05489	0.9
71.29426	0.6
73.91066	0.4
77.00821	0.4
79.05497	0.8
81.07061	1.2
85.06604	0.5
91.05493	1.5
93.07050	1.3
95.04997	0.5
95.08635	0.7
105.07023	0.8
109.10153	0.7
119.08630	0.6
120.32217	0.4
121.10178	0.6
131.08562	0.6
133.10098	0.5
135.11707	0.6
135.89313	0.3
145.10112	0.9
179.10818	0.4
214.31493	0.4
241.65375	0.4
255.33656	0.4
257.19208	0.4
274.19949	0.4
283.15262	0.5
509.27225	100.0
510.27460	7.3
510.34134	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2722
Annotation	Asn Thr Phe Lys
Peak:m/z	Relative Intensity
55.05504	0.2
55.18022	0.2
59.37441	0.2
67.05502	0.7
70.19138	0.7
78.58755	0.2
79.05496	0.6
81.03432	0.4
81.07059	0.9
81.71552	0.2
83.04985	0.3
91.05480	0.3
92.53970	0.2
93.07030	0.7
98.23378	0.2
101.76965	0.2
105.07058	0.3
107.04994	0.4
107.08636	0.3
117.07070	0.4
119.08591	0.3
120.68176	0.2
120.96877	0.2
145.10168	0.3
154.91154	0.2
163.11220	0.8
185.04207	0.6
203.05270	0.7
206.20744	0.2
209.11870	0.3
259.07898	0.5
265.67621	0.3
283.15387	1.4
291.18268	0.3
347.21948	0.3
438.73465	0.2
491.26602	0.5
509.27219	100.0
510.27539	7.4
510.34125	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	23.5
65.03071	4.7
67.05502	9.3
69.03423	13.7
70.06580	5.5
70.25332	13.2
70.25670	10.0
81.07039	11.2
83.04971	28.7
83.08622	11.0
85.02885	14.5
91.05482	9.2
93.07065	6.5
95.04977	17.0
97.02914	10.8
97.06577	7.0
105.07024	13.5
107.08588	16.9
109.06538	5.2
109.10152	11.2
111.08067	6.1
114.05582	6.0
119.04897	5.9
121.10178	24.2
131.08563	5.3
133.10152	11.6
147.04430	36.0
148.04802	10.0
151.11151	16.4
153.09102	7.3
165.10245	30.6
166.10565	15.6
167.14334	14.8
173.13248	11.1
191.14249	10.0
209.15355	100.0
227.16551	9.3
295.06219	8.2
369.06641	6.0
510.15625	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	510.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56112	8.5
53.03951	9.6
55.01878	9.0
55.05512	15.7
55.31725	7.5
57.03422	12.5
58.06603	38.4
59.07368	11.5
60.08158	16.5
60.68174	7.1
67.05509	38.8
67.34247	8.0
69.07057	15.4
71.29141	11.3
79.05505	39.8
81.03411	11.9
81.07073	36.9
83.04962	10.9
91.05473	34.6
93.07038	21.2
95.04973	11.3
95.08622	14.7
97.06521	10.2
105.07001	26.4
107.08572	11.7
109.10129	8.8
117.07063	8.4
119.08594	10.3
121.10138	29.9
123.08047	8.3
128.32057	6.8
128.92258	7.6
129.07051	14.8
131.08540	6.7
133.10150	12.3
133.74042	7.2
163.11156	15.8
236.14940	100.0
267.15994	35.7
283.15308	19.5
309.16824	8.8
410.25781	44.6
414.88147	7.7
437.75809	7.6
475.26944	46.2
486.78787	8.3
492.33118	20.0
510.34076	63.5
539.34253	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	510.342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	1.5
56.84076	1.2
60.08156	3.1
62.40846	1.3
62.73991	1.2
62.84732	1.2
63.08384	1.3
65.03934	1.6
67.05507	2.8
71.28741	2.1
72.77952	1.2
76.61310	1.2
77.22006	1.3
86.09695	6.4
91.05486	13.6
104.10751	12.2
107.08614	1.8
119.04945	24.8
125.00014	4.3
147.04405	100.0
148.04755	2.0
153.80159	1.4
184.07349	10.9
232.60362	1.7
286.33737	1.6
399.49219	1.6
475.30469	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	510.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.8
55.01839	1.4
55.05510	2.2
56.86158	0.5
57.03435	8.5
58.06600	34.9
58.06873	1.3
59.04981	0.6
59.07383	9.9
60.08168	9.1
67.05506	3.1
67.68340	0.4
69.03424	1.2
69.07034	1.9
69.07378	0.4
69.60175	2.7
71.04939	0.4
71.08606	1.7
73.02885	1.5
75.04478	3.6
79.05493	4.3
81.03374	1.8
81.07071	3.0
83.04959	1.6
83.64353	0.7
83.64787	0.5
84.08108	0.8
85.02899	3.0
87.04470	5.7
91.05473	4.0
93.07042	2.6
95.04935	2.1
95.08562	1.5
97.06491	1.1
99.08066	0.7
101.05992	0.5
102.05516	0.7
103.03917	1.0
104.10700	0.6
105.05488	1.2
105.07030	3.3
107.04938	1.0
107.08562	1.1
109.06519	0.6
109.10162	0.6
111.04387	0.5
113.05976	0.5
117.06960	1.8
117.07733	0.5
119.08553	1.3
121.10143	0.5
122.21124	0.4
129.05435	1.4
129.06902	0.6
130.08650	0.9
131.06990	1.8
131.08519	1.1
131.29591	0.4
133.10098	1.2
135.08040	0.9
135.11685	0.4
143.06966	0.7
144.10199	8.5
145.10103	0.7
149.02341	0.6
157.08562	0.8
161.09589	0.5
162.11281	5.7
163.11201	0.9
177.12744	1.4
193.12299	0.6
215.61757	0.5
227.12671	0.6
230.50403	0.5
236.14923	100.0
237.15237	3.9
239.12637	0.6
248.18413	0.5
255.51303	0.5
268.71951	0.5
275.20026	1.5
283.15475	0.8
349.23511	0.5
404.29538	0.5
412.26944	3.0
416.93655	0.5
474.32596	0.7
475.27298	0.5
492.33191	16.9
493.33517	2.0
510.34283	78.7
511.27182	0.7
511.34747	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	510.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73273	6.0
54.32524	5.7
55.05522	8.0
57.07069	25.7
67.05502	9.4
70.22794	13.1
70.23185	13.5
71.08634	16.7
73.87010	6.1
81.07047	11.4
86.09735	8.1
88.80491	5.6
89.06034	5.9
91.05486	20.5
92.05833	5.7
95.08607	12.2
98.22595	8.6
104.10732	10.9
107.08617	8.8
108.53118	5.4
109.10190	9.4
119.04932	27.7
147.04428	100.0
176.67357	6.1
184.07195	11.6
205.12892	7.3
234.92305	6.3
239.23759	12.7
313.27377	35.4
322.27588	5.9
338.33496	6.3
455.45792	6.5
475.30383	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
55.01879	2.0
55.05513	13.1
57.03443	3.7
57.07077	96.0
59.90506	1.4
65.45332	1.5
67.05507	32.9
68.65611	1.7
69.03434	18.8
69.07067	21.8
69.07352	2.1
69.07757	8.8
71.04990	2.5
71.08634	70.6
73.02900	1.9
78.77017	1.4
79.05501	2.8
81.03415	14.2
81.07059	46.2
82.07397	1.6
83.08619	26.5
85.02907	32.6
85.10187	40.1
86.09713	2.4
89.04833	1.4
89.48328	1.7
93.07069	2.3
95.08611	61.0
96.08950	2.0
97.02889	25.7
97.10172	14.6
99.04465	7.7
104.10753	2.9
108.04477	4.1
109.02879	12.2
109.10157	32.0
111.11723	4.5
123.11723	12.9
125.13269	4.1
127.03924	34.8
133.31491	1.5
137.13281	6.7
139.14745	1.7
145.04970	25.9
151.14859	2.4
156.99031	1.7
165.16389	2.9
184.07312	2.9
189.78191	1.6
221.22667	3.8
239.23691	100.0
240.24049	5.5
257.24774	7.4
313.27396	5.9
329.26880	4.9
341.26917	5.4
383.27911	60.7
384.28159	2.9
401.28967	85.5
402.29398	5.2
404.66309	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	5.3
57.07074	36.1
67.05499	4.6
69.07067	6.7
69.07603	7.2
69.08037	7.2
70.63311	1.8
71.08633	31.9
73.06554	4.9
73.14165	1.5
80.52122	1.6
81.07050	5.3
83.08625	5.4
85.10183	18.5
87.04459	2.3
89.06030	100.0
95.08583	4.9
97.10175	6.9
98.22552	2.9
99.11735	2.7
105.07075	1.9
107.07080	3.2
109.10149	2.2
114.63097	1.7
117.09164	3.5
125.13309	2.1
131.07095	1.7
133.08600	46.2
161.11841	2.0
165.18985	1.5
177.11211	17.9
195.12283	4.2
239.14809	3.7
255.26859	2.0
282.96817	1.8
283.17575	15.3
299.29492	5.2
312.81763	1.7
475.41299	3.5
493.40945	7.9
510.38821	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	511.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	13.9
56.96563	7.1
70.05824	2.0
70.06175	5.7
70.97450	1.6
74.67183	1.9
83.04987	36.9
84.96060	3.2
91.05467	3.4
98.23292	2.0
98.97581	26.7
101.23816	2.0
105.07098	1.9
110.97601	2.8
112.99168	1.9
116.98660	6.7
119.04941	4.2
128.98650	4.5
129.00288	2.0
134.99631	2.3
139.97273	1.7
140.98711	2.4
147.04410	6.0
158.99684	4.2
177.00685	3.5
219.01718	4.6
227.05919	2.5
231.55466	1.9
237.02776	4.8
263.09314	2.1
281.10516	3.2
299.11728	2.8
305.10614	5.3
323.11740	7.6
341.12442	2.3
425.14752	23.4
443.15863	15.9
444.16068	1.8
467.16193	19.0
511.15793	100.0
511.24435	6.4
512.16345	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	511.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30376	0.3
52.50204	0.3
53.03938	1.5
55.01864	0.5
55.05510	34.2
55.49717	0.4
56.05845	0.5
68.12121	0.3
69.38239	0.7
69.38635	1.7
72.68349	0.3
79.05497	1.9
81.03418	1.1
83.04979	100.0
84.05305	1.1
91.05476	1.7
95.04971	0.5
98.23418	0.4
99.00816	1.7
106.06558	0.5
107.04958	2.1
108.19998	0.3
117.01891	0.3
119.04958	2.4
135.04436	0.7
138.05528	0.5
145.06494	0.4
147.04433	1.3
168.06532	3.2
199.06061	1.2
201.08833	0.3
201.68335	0.4
212.08411	0.4
213.09090	2.4
247.07294	0.4
281.10208	0.5
282.62494	0.3
299.11169	1.8
479.09058	0.5
479.15259	1.2
511.16827	1.5
511.25131	1.0
531.89185	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.2
67.05502	0.6
69.61089	0.8
81.03400	0.3
81.07044	0.3
91.05477	0.3
93.06997	0.4
95.08593	0.3
105.07048	0.4
106.97967	0.2
107.08580	0.2
119.08607	0.2
131.08514	0.3
135.08109	0.3
146.90810	0.2
151.90115	0.2
191.89981	0.2
203.05296	0.8
250.84084	0.2
254.36642	0.2
259.07843	0.4
413.49707	0.3
511.28757	100.0
512.29138	8.0
512.36609	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21264	2.1
53.03948	8.1
55.01878	24.3
55.05511	23.7
57.03437	27.2
58.06602	39.7
59.06935	2.2
59.07367	10.9
60.08163	8.5
61.02930	21.5
67.05510	33.6
67.47958	1.9
69.03430	13.7
69.07078	27.7
69.10706	10.3
69.11124	7.6
71.01360	2.7
71.05006	3.2
71.08623	2.7
72.48765	1.9
73.02911	14.9
75.04488	4.6
79.05497	33.7
81.03410	22.9
81.07063	42.8
83.04982	17.7
83.08639	8.5
84.55998	1.9
85.02898	22.0
85.03303	2.2
87.04466	8.6
91.03959	10.5
91.05489	35.1
93.07047	29.9
95.01353	5.2
95.04984	8.8
95.08601	19.9
97.02888	15.9
97.06541	22.3
97.10177	6.0
98.22614	4.7
99.04476	5.5
99.08112	2.0
101.02404	4.9
101.06046	2.9
103.03962	2.3
105.07035	49.6
107.04950	17.1
107.08588	17.3
109.02901	5.9
109.06524	4.7
109.10192	7.5
111.04465	2.4
111.08092	4.3
116.04693	13.1
117.05512	2.3
117.06996	13.0
119.08586	23.7
121.06535	4.3
121.10137	10.1
121.29774	2.0
123.04480	2.5
123.08060	2.5
125.09663	4.5
127.03927	6.8
129.05484	32.5
129.06987	5.7
131.08560	17.5
133.10126	33.3
133.11055	2.5
135.08086	4.9
135.11720	6.9
137.09622	2.7
143.07068	17.7
143.08578	2.0
143.81923	2.0
144.10193	6.8
145.04990	4.0
145.10114	16.2
147.11682	16.9
149.09666	5.4
149.13300	5.2
157.08630	31.0
157.10046	4.0
159.11711	8.7
161.13229	2.5
162.11249	2.6
163.11192	2.3
165.09160	2.3
171.10222	6.1
171.11681	2.7
173.13162	2.7
177.12784	5.4
179.14317	13.4
183.11771	2.1
187.11174	3.8
193.12334	2.2
200.14125	6.6
223.13347	2.7
236.14941	75.4
237.15265	41.0
239.18158	3.0
241.14340	2.8
257.19122	6.6
275.20059	60.9
276.20444	3.3
283.15469	3.9
339.82855	2.3
349.11484	2.3
349.23721	24.2
377.23300	3.6
451.31064	2.1
493.27667	2.7
493.33801	17.9
511.28494	4.5
511.34720	100.0
512.35260	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	512.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.3
55.05509	2.3
57.03436	7.4
57.07063	1.5
58.06315	1.5
58.06601	31.0
59.07383	9.3
60.08167	9.5
64.07731	0.9
67.05501	7.5
69.07058	2.8
71.28823	1.0
73.02921	1.6
75.04488	4.2
79.05492	4.6
81.03418	1.2
81.07056	6.1
83.04974	1.1
83.08590	1.1
84.08130	1.0
84.33745	1.0
85.02906	3.0
85.10152	0.8
87.04463	5.1
88.07645	1.2
91.05492	3.8
93.07047	5.5
95.04996	0.9
95.08599	4.3
102.09231	1.0
105.05518	1.2
105.07026	2.0
107.08633	1.7
108.40228	0.9
109.06536	1.2
109.10169	1.0
117.06997	1.6
119.08586	1.4
121.10126	1.8
131.07056	2.3
131.08575	1.2
135.11728	1.1
144.10199	8.7
145.10123	1.4
158.99567	0.8
162.11188	5.1
163.46625	0.9
195.13875	1.0
218.13745	1.5
236.14919	100.0
237.15219	3.3
256.26328	2.1
269.17612	1.6
283.15442	3.1
283.26398	3.0
318.22836	2.4
321.70834	1.0
412.26926	34.2
413.27396	2.6
452.11185	1.1
477.28354	2.6
484.33127	0.9
494.34744	17.5
495.35501	1.5
512.35828	51.3
512.50299	7.3
513.36603	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	512.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39261	0.5
53.03930	0.5
55.01853	0.7
55.05482	1.8
57.03433	6.0
58.06599	30.8
59.04966	0.7
59.07386	9.1
60.08162	9.0
67.05509	5.1
69.03431	0.7
69.07063	3.7
69.20841	0.5
71.08620	0.6
73.02898	0.9
73.45869	0.6
75.04480	4.0
75.51422	0.6
79.05503	3.1
81.03421	5.2
81.07052	4.2
83.04944	1.4
83.08598	1.5
84.08134	1.3
84.63376	0.5
85.02914	2.8
85.10123	0.7
87.04481	3.8
91.05442	2.2
93.07024	3.7
95.04931	2.5
95.08561	2.7
97.06512	1.0
97.10170	0.8
103.03912	0.7
105.05508	0.9
105.06983	2.0
107.04918	0.9
107.08562	2.3
109.10147	1.3
113.05927	0.7
117.06954	0.9
119.08539	1.9
121.10132	1.0
123.11681	0.7
129.06978	1.1
131.07024	2.0
131.08537	1.4
135.08014	0.7
143.08539	0.6
144.10188	7.2
147.11639	0.9
151.11086	1.3
162.11240	3.7
172.24275	0.6
202.15210	0.6
218.13910	0.9
236.14911	100.0
237.15150	2.8
257.65747	0.6
267.15726	0.8
494.34787	14.2
512.35815	92.1
513.36731	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	512.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.7
55.05486	1.4
57.03447	7.2
58.06606	27.3
59.07383	10.3
60.08164	8.4
64.43875	0.6
67.05475	1.9
69.07045	1.1
69.38513	2.9
73.02902	1.0
75.04494	3.2
79.05498	3.2
81.07034	2.2
82.56678	0.7
84.08121	1.0
85.02874	2.0
87.04478	5.1
90.52417	0.6
91.05476	3.0
93.07019	2.3
95.08553	1.1
102.05545	0.7
105.05496	0.8
105.07024	3.5
107.08569	1.3
113.06011	0.8
119.08553	1.9
121.10157	0.5
131.07022	2.2
131.08511	0.6
133.10083	1.1
144.10202	8.3
145.10161	0.5
162.11270	4.6
216.83330	0.5
218.13808	0.6
219.63136	0.6
236.14925	100.0
237.15375	3.0
240.89323	0.6
290.16064	0.7
458.62619	0.6
476.33759	22.3
477.34125	1.5
494.34760	75.5
495.34940	6.1
512.20233	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36005	0.2
53.03970	0.3
55.01877	0.6
55.05513	1.1
57.03437	6.8
57.25605	0.2
58.06601	33.1
59.07382	10.0
60.08166	9.4
61.49840	0.2
67.05510	2.8
69.03443	0.3
69.07059	0.5
69.90940	0.5
69.91355	0.6
71.08630	2.7
73.02921	0.7
75.04485	4.3
79.05489	1.9
81.03422	0.5
81.07059	1.7
83.04984	0.8
83.08618	0.5
83.77735	0.4
84.08151	0.8
85.02895	2.1
87.04469	5.3
91.05480	1.5
93.05526	0.4
93.07046	2.4
95.04959	0.8
95.08614	1.2
97.06536	0.5
99.08110	1.6
101.05998	0.4
102.05537	0.8
103.03951	0.9
105.05527	0.9
105.07044	1.2
107.04944	0.3
107.08606	1.1
109.06552	0.3
109.10164	0.6
113.06011	0.6
117.07024	0.3
119.08619	0.6
121.10123	0.5
123.08041	0.3
125.09668	0.3
129.05478	0.3
130.08652	0.5
131.07034	2.0
131.08609	0.3
133.10098	0.5
135.11783	0.5
137.09552	0.3
144.10190	7.8
145.10190	0.3
151.11212	0.8
159.06587	0.4
161.13319	0.3
162.11235	4.5
163.11226	0.5
179.14330	1.0
200.12822	0.3
214.00241	0.3
218.13904	0.8
236.14919	100.0
237.15250	2.7
450.29700	0.3
450.35672	0.6
477.28894	0.4
494.34744	13.6
495.34949	1.0
512.35828	82.5
513.36322	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	512.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	8.9
57.03432	3.2
57.07076	67.3
58.06600	10.8
59.07381	3.2
60.08150	4.7
65.03926	1.9
67.05507	11.6
69.07059	14.8
69.36839	4.0
69.37243	4.5
70.06588	18.5
71.04999	1.3
71.08631	49.6
73.02903	2.4
73.06540	3.8
79.05479	4.8
81.07066	10.3
83.07005	1.4
83.08630	6.5
85.10178	31.4
87.04463	6.5
87.94180	1.4
88.07629	24.7
89.06033	84.1
91.05490	4.6
93.07029	6.4
95.08601	11.4
97.10149	6.2
98.22584	1.7
99.11713	6.3
102.09167	16.0
105.07024	4.7
106.08656	1.6
107.07037	2.6
107.08586	3.0
109.10184	3.4
109.36475	1.4
111.11708	4.4
113.13267	4.2
117.07036	1.4
117.09116	3.1
119.08582	3.5
121.10138	2.6
129.06963	2.1
130.08650	2.1
131.07027	1.6
131.08583	3.9
133.08601	51.2
133.10120	3.1
143.08560	4.2
144.10237	3.7
145.10153	2.3
145.47507	1.3
155.08551	2.5
157.10097	3.2
159.11688	4.1
162.11301	2.7
169.10146	2.1
169.19568	2.3
177.11249	18.3
183.11636	1.9
187.64064	1.4
195.11736	1.8
213.22078	2.6
215.61563	1.6
221.13799	5.1
228.23216	4.1
236.14908	45.4
236.17307	2.4
239.14934	2.3
256.26337	54.7
257.24637	2.5
274.27319	5.0
283.17654	1.7
283.26300	57.3
284.26669	2.0
301.27365	4.1
311.29443	6.0
327.20148	13.4
365.64252	1.6
421.30832	2.3
447.11182	1.4
494.38611	8.7
495.39166	9.6
512.39270	22.9
512.50208	100.0
513.35315	10.9
513.50647	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	513.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93630	3.0
55.43710	3.0
56.96570	19.6
69.66541	3.5
71.28168	5.5
95.59777	3.4
97.02882	3.6
98.97586	36.3
101.00872	10.3
115.19758	3.3
116.98628	10.8
119.01918	13.9
128.98596	5.3
131.01949	7.5
143.01924	13.8
144.01917	4.8
145.01659	4.2
145.03493	4.7
152.98628	6.4
155.01903	6.5
157.01692	4.4
158.99643	23.1
161.02975	13.7
163.02721	4.7
167.01941	4.8
167.03477	4.1
170.99658	32.0
173.02960	12.2
174.02979	6.4
175.02744	6.5
177.00722	6.7
181.81856	3.4
185.02953	17.5
185.04578	6.0
186.03108	5.3
187.02975	5.0
187.04440	9.0
189.00708	17.3
189.05435	8.4
197.03038	7.4
199.02707	5.4
201.00743	8.1
203.03992	5.6
207.06526	6.8
213.00642	27.9
215.04073	5.3
219.01793	14.8
221.05063	5.2
229.06729	5.6
230.05083	11.2
231.01688	10.2
231.06828	22.8
237.02924	8.1
243.06480	3.9
245.05084	40.6
246.05305	8.6
247.04764	7.2
261.02682	10.5
275.06110	7.1
291.05481	4.2
291.08676	5.3
303.05661	6.2
321.10187	5.4
333.04675	29.8
339.10361	4.1
351.05902	29.8
351.10242	7.0
365.09189	6.8
481.11789	14.5
483.10333	8.8
513.14215	100.0
514.14282	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	513.137
Annotation	Unknow
Peak:m/z	Relative Intensity
63.12614	2.1
67.05476	2.6
70.06591	2.5
73.59693	2.2
85.02876	5.9
94.06500	4.4
95.55697	2.2
97.02885	2.8
119.04823	2.5
122.05968	3.9
124.07532	3.1
130.04955	4.2
135.31676	2.3
147.04410	4.4
157.06424	2.4
162.07170	2.6
169.67839	2.7
177.22112	2.7
186.45963	2.2
247.66335	2.7
289.05139	4.0
451.18240	3.0
469.19833	11.1
481.11728	23.7
481.18741	4.3
513.13196	100.0
513.19189	17.9
514.13342	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	513.1371
Annotation	Gemixanthone A
Peak:m/z	Relative Intensity
53.03929	3.7
56.21163	4.4
59.29959	3.7
61.22190	4.1
68.70248	3.6
69.03434	5.5
69.37491	22.6
70.06599	5.9
85.02912	8.5
91.05502	5.0
97.02951	5.2
103.74745	4.6
136.06203	36.5
136.07591	6.1
147.04436	11.6
158.41182	4.4
220.11874	24.9
276.05182	4.5
289.05417	6.4
382.17288	19.8
442.17587	4.6
469.20383	10.0
481.11139	79.2
495.17889	7.8
513.13092	100.0
513.19452	28.1
514.13904	7.7
514.21185	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	513.1868
Annotation	Pumiloside
Peak:m/z	Relative Intensity
52.48911	0.2
65.03941	1.0
67.05508	0.2
68.26485	0.2
69.03429	1.2
69.15804	0.2
71.29514	0.2
76.04202	0.2
79.05490	0.3
81.03423	0.8
81.07064	0.3
83.04993	0.2
85.02898	0.5
87.86015	0.2
91.05482	10.3
92.65385	0.2
93.07050	0.3
95.04967	0.3
97.02905	0.5
97.06535	0.4
99.04424	0.3
104.40582	0.2
107.04963	0.2
109.02877	0.2
119.04945	23.9
120.05274	0.5
127.03922	0.7
129.06891	0.2
132.08029	0.2
132.11899	0.2
133.10176	0.2
143.08618	0.2
147.04410	100.0
148.04747	2.6
155.11116	0.2
159.09158	1.5
188.07101	0.2
216.74898	0.2
246.16222	0.2
283.15207	0.2
284.15726	0.3
291.08658	0.3
309.09595	0.4
351.13293	0.9
463.13898	0.2
513.16901	1.0
513.26862	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.2
65.03923	1.0
67.05508	0.2
69.03429	1.2
70.45988	0.3
70.46324	0.2
71.04955	0.2
74.45707	0.1
79.05495	0.2
81.03421	0.3
81.07070	0.1
83.04990	0.2
85.02907	0.2
91.05480	9.6
95.04988	0.3
97.02886	0.5
97.06518	0.3
98.40477	0.1
107.08582	0.2
109.06559	0.2
117.06989	0.2
119.04944	22.9
120.05289	0.5
127.03926	0.8
131.08583	0.1
136.30827	0.1
143.08572	0.1
147.04407	100.0
148.04745	2.3
159.09187	0.9
165.05473	0.4
187.11322	0.2
247.13223	0.3
263.09485	0.2
284.15884	0.2
291.08545	0.5
309.09735	0.7
316.18686	0.2
420.52444	0.2
513.26184	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3036
Annotation	Platenolide B mycarose
Peak:m/z	Relative Intensity
55.05505	0.7
56.96978	0.3
57.47807	0.3
61.90252	0.3
67.05506	2.6
67.40308	0.3
69.07055	1.2
71.05007	0.4
79.05489	2.2
80.61027	0.3
81.03387	0.4
81.07053	1.7
83.08615	0.6
88.07655	0.4
89.06020	0.4
91.05479	1.8
93.07044	1.9
95.05048	0.5
95.08604	1.4
97.06498	0.5
97.10201	0.5
105.07016	1.8
107.08604	1.0
107.32484	0.3
109.10154	1.1
116.58632	0.3
117.07008	1.4
119.08578	1.2
121.06516	0.4
121.10152	0.8
129.06989	1.2
131.08562	1.0
133.10228	0.4
134.31595	0.4
135.11682	0.4
141.07007	0.5
143.08595	1.0
145.10143	1.3
147.11673	0.6
155.08588	0.7
157.10130	1.0
159.11734	0.4
169.10098	0.8
171.11711	1.2
173.13309	0.7
183.11681	0.8
185.04248	0.5
185.13181	0.5
190.06949	0.4
197.13228	0.5
203.05246	1.0
209.13339	0.6
236.14876	0.5
256.26404	0.7
259.07962	0.7
283.26285	0.5
365.07379	0.4
421.31390	0.6
495.35178	0.5
512.50159	1.0
513.30280	100.0
514.30524	7.1
525.38800	0.4
530.25604	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.5
55.01873	0.5
55.05518	2.1
57.07067	0.9
59.37235	0.3
61.25897	0.3
63.99193	0.3
67.05511	2.9
68.50893	0.4
69.07060	1.5
69.13191	2.7
70.06571	0.5
71.04985	0.4
71.08611	0.9
79.05492	2.2
81.03414	0.5
81.07055	2.3
83.04992	0.8
83.08623	1.2
88.07613	0.8
89.43231	0.4
89.64739	0.4
91.05489	2.6
93.07040	1.9
95.08611	1.6
97.06559	0.5
97.10189	0.7
100.98935	0.4
102.09187	0.7
102.64129	0.4
105.07040	2.3
107.08597	1.0
109.10136	0.5
111.08103	0.5
114.57629	0.4
117.07031	0.9
119.08582	1.3
121.10157	0.5
121.14726	0.4
125.09608	0.6
129.06992	0.7
131.08566	1.2
133.10146	1.1
135.08105	0.5
141.07054	0.4
143.08545	1.2
145.10135	1.6
147.11661	0.7
155.08569	0.8
157.10136	1.1
169.10144	1.1
171.11748	1.4
173.09502	0.3
181.10164	0.5
183.11731	0.6
185.13272	1.0
195.11736	0.7
209.90923	0.4
256.26358	2.3
269.19016	0.6
283.26324	2.2
284.26578	0.6
439.28482	0.4
512.50623	2.7
513.30322	100.0
513.50562	2.9
514.30585	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.8
55.01865	4.3
55.05509	12.5
57.03444	19.6
57.07084	3.0
57.23757	3.2
58.06604	28.7
59.06931	4.0
59.07384	12.8
60.08167	8.2
61.02916	10.6
67.05508	38.4
69.03419	7.0
69.07065	8.1
69.52162	14.6
73.02921	6.1
75.04453	5.8
79.05490	43.5
79.05925	5.0
81.03422	8.7
81.07063	40.0
83.04984	5.0
83.08607	9.2
85.02893	12.3
87.04488	5.1
87.36273	3.4
91.03950	8.7
91.05489	38.5
93.07047	52.7
94.82501	3.3
95.04964	7.3
95.08602	26.8
97.02907	6.0
97.06534	6.5
105.07032	41.5
107.08596	33.7
109.06503	8.8
109.10170	13.2
117.07036	14.1
119.08591	37.3
121.06465	6.0
121.10141	23.9
123.08051	4.3
129.06990	9.6
131.08565	21.9
133.06439	3.7
133.10126	26.7
135.11665	27.6
142.29433	3.8
143.08582	8.9
144.10213	9.3
145.10141	21.6
147.11716	20.3
149.13284	13.1
157.10115	9.9
159.11670	15.5
161.13272	19.7
162.11287	6.4
163.11328	5.1
163.14827	9.0
171.11726	7.7
173.13246	7.0
174.50729	3.4
175.11282	5.7
175.14827	11.1
179.14407	4.3
185.13229	9.9
187.14757	3.7
197.13196	3.8
199.14792	5.2
213.16379	6.7
231.21112	5.9
236.14926	90.0
237.15230	52.8
241.19571	20.3
250.13800	3.3
259.20544	40.2
277.21585	9.7
325.21530	3.8
349.23898	6.9
351.25281	75.4
352.25565	5.7
403.24597	5.5
477.34088	23.1
494.34625	5.2
495.35220	100.0
513.31799	10.1
514.36743	4.5
533.93433	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	513.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.3
55.05514	33.2
55.09719	7.0
56.65805	7.6
57.03435	10.4
57.07083	12.4
58.06592	15.8
59.86955	7.8
61.02930	18.5
66.21320	10.5
67.05499	75.1
69.03432	22.5
69.07069	24.2
71.04980	10.6
71.28634	8.3
73.02905	14.0
79.05499	85.4
79.95029	8.9
81.03423	35.8
81.07071	92.0
83.04968	12.0
83.08623	25.9
85.02874	20.6
85.06570	8.8
91.05492	79.8
93.07053	100.0
93.75549	7.8
95.04974	20.0
95.08596	54.8
97.02878	19.9
97.06564	9.5
105.07034	93.8
107.04976	10.2
107.08587	51.1
108.92059	8.7
109.10172	26.4
111.04450	7.3
113.64854	8.4
116.54250	7.3
117.07034	50.8
119.08597	81.1
120.08929	8.4
121.06580	9.9
121.10148	56.5
121.15642	8.5
123.08045	7.6
128.06204	15.6
129.07001	24.6
131.08572	59.0
133.10149	70.8
135.08011	9.4
135.11694	40.3
137.09709	8.2
141.07040	10.3
142.07800	11.1
143.08583	19.3
145.10104	50.3
147.11668	47.1
149.09642	14.8
149.13239	27.6
157.10127	35.9
159.10605	8.2
159.11714	53.0
161.13283	39.7
163.11218	14.5
169.10156	14.2
171.11719	27.1
173.13290	28.2
175.14790	10.3
181.10135	12.5
183.11763	23.4
185.13292	24.0
187.14861	11.8
187.29056	10.0
213.16451	11.2
218.21457	8.4
223.65771	8.1
227.14320	10.8
236.15033	27.0
241.19580	23.0
257.18973	17.1
259.20563	62.6
275.20120	14.9
351.25327	57.7
367.22501	19.0
385.23520	24.6
403.24805	35.1
421.25772	49.0
441.26483	9.6
495.35251	20.7
513.32281	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	513.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85976	2.1
53.03942	2.8
55.05516	14.6
57.07075	7.5
59.05003	3.7
65.03923	2.5
67.05510	21.9
69.03433	11.3
69.07069	19.4
70.06610	2.9
71.04996	43.4
71.08635	2.8
73.06561	2.5
77.94720	1.6
79.05499	18.5
81.07062	34.0
83.04980	6.3
83.08615	10.7
85.06557	6.1
85.20292	1.6
88.07646	2.4
91.05479	24.5
93.07051	30.0
94.07290	1.7
95.04964	6.1
95.08612	31.8
97.06568	9.1
97.07087	1.7
97.10162	4.3
99.04497	3.8
99.08105	23.9
102.09196	2.9
105.07036	29.2
107.07871	2.1
107.08603	39.1
109.06539	4.2
109.09454	3.5
109.10163	49.5
109.10915	3.0
110.10507	2.4
111.08084	29.4
113.09645	4.4
115.05475	2.6
117.07008	9.4
119.08590	26.8
119.09401	1.3
121.06503	4.2
121.10126	14.8
123.08084	7.2
123.11723	6.1
125.09639	54.1
126.09966	2.4
127.07577	10.7
127.11196	61.3
128.06248	3.4
129.06989	9.2
130.07745	3.3
131.08578	26.4
132.30470	1.7
132.97577	1.7
133.10143	23.5
135.08064	4.2
135.11710	10.7
137.09608	8.4
139.11179	6.8
141.06966	4.9
142.07773	8.1
143.08580	20.2
143.10680	17.6
144.09335	3.5
145.10138	43.6
147.11670	16.9
149.09644	5.0
151.11217	7.3
153.09140	2.4
153.12723	2.8
155.08572	9.0
155.10678	100.0
156.09381	4.8
156.10854	3.2
157.10136	30.2
158.10794	3.0
159.11697	27.4
161.09602	3.8
161.13220	4.6
163.11200	7.4
165.06970	2.3
165.12744	4.3
167.08556	5.4
168.09343	2.4
169.10129	16.2
169.12260	4.1
170.10931	5.0
171.08112	1.8
171.11705	18.6
172.12439	2.4
173.09706	2.7
173.13268	16.6
175.11244	5.0
175.14848	4.2
177.12813	2.4
179.08603	3.2
181.10146	6.9
181.12247	4.9
182.10904	6.1
183.11728	15.5
183.13806	7.6
185.11700	5.4
185.13301	15.2
187.14816	8.1
189.12709	4.4
189.16400	1.8
191.14354	4.6
193.10101	2.2
194.10915	2.6
195.11635	11.8
196.12556	4.9
197.13269	33.3
198.13803	2.5
199.11198	2.1
199.14856	11.3
201.12820	4.9
201.16431	3.3
203.14359	4.3
207.11804	2.8
207.13701	3.7
209.13269	15.5
209.15402	5.2
211.14877	24.6
211.16876	3.7
213.12755	2.5
213.16451	7.7
215.14442	4.1
220.12497	2.1
221.13351	3.9
223.14833	9.1
224.15199	2.5
225.16414	7.6
227.14363	4.1
227.18021	3.5
229.15880	6.6
235.14865	3.9
237.16461	2.2
239.17957	4.8
241.15929	4.0
243.17380	5.5
245.19023	5.3
246.85106	1.8
249.16336	3.8
253.19528	4.8
255.21149	1.8
256.26370	6.0
257.26715	2.9
263.17807	3.8
265.19489	9.7
267.21140	3.2
271.20618	2.9
279.20990	4.2
281.19211	2.0
281.22324	2.6
283.20572	14.3
283.26297	7.2
284.21133	2.0
284.26608	5.7
285.22159	6.0
297.22049	8.3
301.21619	6.5
315.23447	1.9
327.23193	4.1
331.22833	5.2
343.22595	15.7
345.24118	3.4
349.25354	5.5
355.26138	2.1
357.24222	16.1
363.26703	2.1
367.26166	5.1
417.31702	3.0
435.32568	22.5
436.32819	2.6
453.33578	29.7
454.34122	2.9
471.34808	3.2
471.71533	1.8
495.34851	13.8
512.50220	5.7
513.36414	36.0
513.50824	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01612	0.6
51.02375	1.3
53.03944	8.9
55.01867	2.6
55.05513	24.7
57.07080	6.8
58.06598	1.5
58.07411	0.9
60.78038	0.7
62.20589	0.7
65.03941	5.0
67.05506	58.7
67.66024	0.6
67.72628	0.7
68.05829	1.1
68.72278	0.6
69.07070	12.1
70.06599	5.1
71.04981	1.6
71.06899	0.7
71.08646	4.5
71.29654	0.6
72.08947	0.8
73.02925	1.1
77.03935	1.3
79.05494	100.0
79.65924	0.6
80.05828	1.6
81.03419	8.2
81.07057	52.1
82.07415	0.9
83.04982	10.4
83.08619	9.6
85.06557	2.3
85.10149	1.7
88.07633	7.0
89.06045	5.1
89.07922	0.9
89.87449	0.6
91.05481	62.1
92.05824	1.2
93.07042	89.2
94.07368	1.6
95.04968	18.3
95.08607	29.3
97.02866	0.8
97.06514	4.7
97.10186	3.1
99.08083	2.8
102.09191	5.5
103.05479	1.9
105.04510	4.4
105.07030	41.3
106.07389	1.2
107.04971	6.0
107.08598	21.7
109.06501	5.4
109.10160	8.9
111.08092	1.4
115.05428	2.5
117.07016	11.0
119.08587	22.0
119.09458	1.1
121.06497	1.7
121.10142	33.4
123.08060	5.5
123.11718	1.1
125.09646	2.0
127.07573	1.6
128.06244	2.6
129.06996	11.6
130.07791	1.2
131.08568	9.3
133.06505	0.9
133.08620	2.6
133.09148	0.9
133.10132	13.9
135.08070	1.4
135.11687	6.8
137.09634	1.4
139.11304	0.8
141.06973	1.1
143.08582	7.4
145.10114	9.9
147.08017	1.9
147.11685	25.8
148.11951	0.9
149.09537	0.8
149.13266	1.9
151.11156	0.8
155.08501	1.6
156.09311	1.0
157.10098	3.5
159.11676	4.4
161.09616	2.9
161.13252	8.8
163.11217	1.5
167.08679	0.7
169.10150	2.4
171.11690	20.0
171.13103	1.4
172.12007	0.8
173.13310	2.6
177.11305	0.8
177.12839	1.0
178.11574	0.7
181.10097	1.5
183.11746	1.4
187.14824	0.9
189.12776	7.1
197.13264	0.9
199.14908	0.7
199.72556	0.6
207.11960	0.6
207.13809	16.9
215.17967	3.3
221.13281	0.8
225.14783	1.0
228.23285	1.6
233.19067	1.2
236.14929	2.0
256.26337	12.5
257.26776	7.8
275.27469	0.7
281.17297	3.3
283.26312	11.9
284.26672	9.1
311.29547	1.1
384.97272	0.8
403.29721	1.5
405.53015	0.7
421.31171	2.0
478.07684	0.8
495.34854	0.9
496.39874	0.7
512.50360	11.7
513.35742	54.1
513.50677	31.0
514.35571	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	514.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	3.5
53.03940	7.6
53.97676	2.0
55.01873	17.0
55.05514	16.2
57.03437	17.2
59.05003	4.3
67.05506	28.6
69.03433	6.6
69.07079	6.1
71.01366	4.4
72.56382	2.4
73.02916	2.4
79.05491	55.0
81.03415	15.4
81.07052	26.0
83.01359	10.0
83.04974	5.4
83.08614	11.1
85.02894	4.6
85.06510	2.4
91.05482	73.1
92.05811	2.8
93.07043	32.9
95.04989	8.0
95.08617	6.7
96.05298	2.4
97.02882	6.5
97.06544	9.4
99.00835	19.7
103.05475	2.3
105.07027	49.9
105.07679	3.4
107.04933	14.5
107.08595	29.9
108.08961	2.4
109.02893	7.4
109.06501	5.4
109.10182	5.1
111.04470	3.9
111.08109	4.4
115.03980	3.0
115.05404	3.4
117.07021	44.6
119.08562	17.0
121.06504	8.5
121.10181	5.2
123.04428	3.7
123.08111	5.8
125.09585	3.0
127.03914	5.1
133.06499	10.0
133.10129	27.1
135.08052	49.5
135.11749	3.8
137.09642	3.0
137.64609	2.3
138.41800	2.2
139.33084	2.1
142.57492	2.4
143.08563	5.0
145.10071	4.9
151.07573	14.9
151.11214	10.0
159.30312	2.3
161.09610	14.2
163.07594	7.7
163.11194	5.0
171.08122	2.9
179.10713	7.3
181.08598	4.3
189.09134	8.7
196.68170	2.6
199.09743	5.6
200.17499	2.5
207.10204	2.8
225.11256	10.2
236.14964	3.0
255.12263	100.0
256.12738	2.9
271.11737	24.9
281.13873	4.4
283.15353	26.6
286.17203	2.3
299.14899	75.1
308.03253	3.2
344.97440	2.4
352.25650	5.0
353.13867	3.2
479.22726	56.3
480.22675	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	8.5
55.05509	14.1
55.11437	5.9
57.03453	9.1
67.05506	17.9
69.03430	19.0
71.28998	7.9
79.05507	11.3
81.03419	100.0
81.07042	10.1
83.04955	8.4
83.08611	18.4
85.02927	15.4
86.09692	9.1
91.05474	14.3
93.07026	10.9
95.04958	29.1
95.08599	7.4
97.02869	10.4
97.06548	12.5
105.07040	16.7
107.04959	13.2
107.08555	10.0
108.08129	11.7
119.04917	7.4
119.08577	18.0
121.06493	8.6
123.08042	6.6
129.07043	9.7
130.07339	7.7
131.08598	17.5
133.38087	6.7
137.09599	10.8
147.04413	30.4
147.08005	12.8
147.11702	8.3
157.10158	12.8
175.11127	9.5
176.25745	7.2
193.12233	73.0
267.15915	58.8
275.57263	7.3
285.16953	74.0
299.05426	13.3
309.16959	14.8
330.15216	7.1
352.21213	13.4
515.20557	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	514.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89160	0.4
55.01869	0.5
55.05487	1.5
57.03437	6.7
58.06600	29.6
59.07384	9.8
60.08168	8.5
62.14159	0.5
63.45224	0.4
66.16886	0.4
67.05511	4.6
69.07053	1.3
69.12145	2.5
69.12549	1.2
73.02905	0.8
75.04480	3.9
79.05499	3.5
81.07057	4.2
82.09687	0.4
82.70451	0.5
83.04953	0.4
83.08574	0.7
84.08146	0.7
85.02872	1.9
87.04470	5.8
91.05463	1.8
93.07045	3.2
95.08601	2.0
101.06036	0.4
103.03906	0.6
105.05482	0.7
105.06986	1.5
107.08579	1.1
109.10202	0.5
117.06996	0.9
119.08632	0.9
131.07085	2.3
131.08525	1.4
144.10196	6.5
159.06581	0.4
162.11266	4.2
173.51805	0.5
200.12833	0.7
218.13820	0.6
236.14926	100.0
237.15260	2.8
442.49814	0.4
478.35281	21.5
479.35397	1.1
496.36322	83.5
497.36658	5.1
515.35382	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05037	0.8
55.01883	1.5
55.05507	3.3
57.03439	9.0
57.07090	0.9
58.03791	1.0
58.06603	34.6
59.05001	1.0
59.07388	11.0
60.08163	9.9
65.03946	1.3
67.05503	9.0
69.07065	2.3
70.06590	3.2
70.87362	0.7
71.08646	1.7
73.02931	1.1
75.04482	3.9
77.68540	0.8
79.05490	7.5
79.27434	1.1
80.13053	0.9
81.03418	1.6
81.07058	6.7
83.04989	1.7
84.08218	1.0
85.02896	2.8
85.06567	1.2
87.04485	4.9
88.07632	4.4
91.05487	6.6
93.07049	6.9
95.04971	2.5
95.08607	4.0
95.50224	0.9
97.06553	1.6
102.09187	2.8
105.03405	3.8
105.05507	1.5
105.07035	3.0
107.08614	2.7
109.06531	1.3
109.10168	1.7
110.10482	0.9
117.07044	2.4
119.08582	2.4
121.10182	2.1
121.61909	0.9
129.06981	1.2
131.07051	2.2
131.08617	2.9
133.10173	1.4
133.64525	0.8
141.07016	0.9
144.10219	8.1
145.10251	1.3
149.02383	1.8
149.05980	12.5
157.10246	1.1
159.11661	1.7
162.11285	3.7
171.11728	1.1
183.11806	0.9
193.04996	2.0
200.20117	10.3
210.72881	0.9
216.44363	0.8
218.14000	1.0
220.03899	0.9
236.14928	100.0
237.15262	11.2
238.15401	5.6
283.15433	1.1
297.07547	1.8
327.83798	0.9
341.10193	9.7
478.35406	16.8
479.27438	0.9
479.35413	1.5
496.36295	84.3
497.36990	6.5
514.27911	14.3
514.36346	21.7
515.26385	1.4
515.34027	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07798	7.8
57.07070	34.2
57.42809	7.9
58.81983	8.1
66.40519	7.7
67.05504	17.4
69.07055	14.7
69.18202	55.5
70.06593	16.3
71.08617	15.0
79.05496	10.3
81.07056	21.4
85.10150	8.6
88.07625	18.0
91.05515	12.2
93.07072	24.5
95.08588	19.9
98.23444	8.4
102.09182	12.7
105.07124	10.0
107.08568	18.6
149.09639	28.0
165.09117	36.6
250.69495	8.5
256.26480	18.3
257.26645	28.5
257.29721	8.9
283.26251	21.3
284.26660	48.9
285.26987	29.9
313.27386	38.6
513.50623	20.9
514.51093	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	514.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08323	0.2
53.03930	0.3
55.01847	0.4
55.05513	3.7
57.03438	6.5
57.07069	1.3
58.06599	28.2
58.07013	0.8
59.07381	8.9
60.08163	8.7
67.05511	3.6
69.07068	3.5
70.06569	0.5
71.04961	0.3
71.08614	0.5
73.02930	1.3
73.50856	0.2
75.04478	3.6
79.05491	2.4
80.05814	0.3
81.03394	0.2
81.07056	2.8
83.04955	0.4
83.08621	2.3
83.91242	0.3
84.08109	0.5
85.02911	2.4
85.10149	0.3
86.06037	0.6
87.04008	0.4
87.04464	4.3
88.61317	0.2
89.05997	0.4
89.62328	0.2
91.05482	1.4
93.05499	0.5
93.06571	0.2
93.07036	2.3
95.04945	0.5
95.08620	2.1
97.06493	0.4
97.10145	1.1
98.23363	0.5
100.11248	0.3
102.05510	0.3
102.09100	0.2
103.03918	0.6
105.05465	0.9
105.07001	0.6
107.08563	0.8
109.10124	1.0
113.05949	0.5
117.06985	0.4
119.08529	0.6
121.10120	1.1
129.06993	0.4
131.07036	2.3
131.08575	0.5
135.11673	0.5
144.10193	7.2
144.11298	0.4
145.10208	0.3
147.11659	0.3
157.10065	0.3
159.06490	0.3
161.13303	0.3
162.11255	3.4
165.09134	1.4
200.12743	0.4
218.13919	0.4
236.14915	100.0
237.15218	2.6
284.26685	0.3
330.04440	0.3
409.33072	0.3
452.40775	0.3
496.39972	20.8
497.40451	1.7
514.41083	61.9
515.41736	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	515.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.7
69.03426	1.5
71.28634	0.6
81.03427	1.7
81.07070	0.7
83.04988	1.0
84.76441	0.5
85.02914	0.8
97.02910	0.8
99.04449	0.4
109.06568	0.5
116.22322	0.4
127.03897	0.8
145.04987	0.6
147.04433	0.7
191.10481	0.7
203.05388	0.7
227.05333	0.9
245.06308	2.9
249.07341	0.5
249.14665	1.7
267.15744	2.0
289.05276	7.9
413.18027	0.6
429.20880	3.6
453.21054	0.9
471.22052	12.6
472.22617	0.8
497.19815	0.7
515.21033	100.0
516.21423	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	515.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01855	0.9
55.05507	3.2
55.83325	0.3
55.91284	0.2
57.03423	0.8
57.07060	0.7
58.06579	0.4
64.67157	0.3
66.51923	0.3
67.05510	4.7
69.03445	0.3
69.07079	1.8
71.04982	0.6
72.57547	0.3
78.92461	0.3
79.05495	6.1
81.03402	1.3
81.07055	5.0
83.04950	0.7
83.08622	1.8
84.07104	0.3
85.02905	0.4
85.10165	0.6
91.05497	4.2
93.07045	5.2
95.04954	1.4
95.08605	2.8
97.06527	0.9
97.10159	1.1
98.23367	0.9
105.07024	4.0
107.04935	0.9
107.08590	2.2
109.06534	0.4
109.10183	1.6
111.08076	0.5
115.05424	0.5
116.06209	0.3
117.07040	2.3
119.08580	2.2
121.06509	0.4
121.10152	2.8
123.08085	0.6
125.09647	0.8
128.06143	0.3
129.07005	1.0
130.30888	0.4
131.08578	3.2
133.10112	1.5
134.28789	0.3
135.08075	0.6
135.11684	1.4
143.06937	0.4
143.08524	1.0
145.10127	2.2
147.11696	0.9
147.94386	0.3
149.13264	0.6
151.07484	0.3
155.08495	0.7
157.10121	0.9
159.11694	1.3
161.13248	0.4
163.11137	1.0
169.10065	0.9
171.11676	1.1
173.13228	0.6
181.10043	0.5
181.12059	0.4
183.11664	0.6
185.09662	0.4
185.13332	0.7
187.14786	0.3
191.85936	0.3
195.11650	0.4
209.11671	0.4
210.24289	0.4
227.12801	0.6
231.17542	0.3
405.27814	0.6
423.28806	0.5
497.32544	0.9
514.50641	0.7
515.29596	100.0
516.29974	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	515.2982
Annotation	fijianolide A
Peak:m/z	Relative Intensity
50.53047	0.3
53.58227	0.3
55.05501	0.7
67.05494	1.2
69.07062	0.6
69.09586	2.6
79.05493	1.1
81.07044	1.4
91.05463	1.0
93.07025	1.3
95.08608	0.9
105.07032	0.7
107.08575	0.6
109.06576	0.3
117.06992	0.5
119.08567	0.7
119.28353	0.3
121.10106	0.9
131.08553	0.7
133.10138	0.4
144.39140	0.3
144.87114	0.4
145.06474	0.4
145.10069	0.7
147.06679	0.4
159.11694	0.7
165.64627	0.4
165.80183	0.3
259.07498	0.3
326.89468	0.4
515.29858	100.0
516.30200	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	515.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
55.01868	1.2
55.05509	2.3
55.78783	0.3
57.03436	0.8
57.07066	0.5
65.03931	0.6
67.05507	6.5
69.07072	4.9
69.58672	1.2
69.59083	0.6
71.04984	0.5
73.06583	0.4
77.03928	0.4
79.05494	8.6
81.03421	2.1
81.07051	6.1
83.04974	0.6
83.08625	1.0
91.04897	0.5
91.05478	9.7
93.07047	5.9
95.04955	1.2
95.08602	4.9
96.17831	0.3
97.06523	1.6
97.10100	0.4
97.55630	0.4
99.08114	0.3
105.04519	0.4
105.07036	4.2
106.06555	0.6
107.04958	1.3
107.08597	4.8
108.08110	0.5
109.06470	0.4
109.10161	1.4
115.05443	0.5
117.07008	5.5
119.08573	3.8
121.06506	0.8
121.10168	2.2
123.11743	0.5
125.05973	0.7
125.09698	0.4
128.06232	0.6
129.07030	1.9
131.08578	4.1
133.06552	0.6
133.10139	2.1
135.08055	3.8
135.11710	1.6
137.09657	0.7
141.06934	0.4
142.07753	0.5
143.07037	2.0
143.08592	2.0
145.06491	1.0
145.10129	2.7
147.08058	0.6
147.11684	1.5
149.09540	0.4
149.13284	0.7
150.69283	0.3
155.08585	1.1
157.06447	0.4
157.10126	2.3
158.98012	0.3
159.08020	0.8
159.11655	2.1
161.13315	0.9
163.07542	0.7
165.07045	0.4
165.09077	0.3
167.08676	0.5
169.10152	1.3
171.08051	0.4
171.11781	1.8
173.09711	0.6
173.13261	1.3
181.08633	0.5
181.10107	0.8
183.11707	1.4
185.09669	0.5
185.13336	1.1
187.11142	0.5
187.14825	1.0
195.11650	0.8
197.13245	0.8
199.09633	0.8
199.11301	0.6
199.14862	0.7
201.12883	0.6
207.11688	0.5
209.13232	0.8
211.11255	0.4
213.12735	0.5
221.13257	0.6
223.11497	0.4
237.16539	0.4
259.20624	0.5
261.22244	1.0
279.21017	0.4
283.20529	0.5
299.23645	1.6
333.24197	0.6
343.22421	0.4
377.28317	0.4
387.26828	0.5
395.29419	1.1
399.25333	0.4
405.27859	1.5
423.28674	2.2
441.29822	1.0
459.30707	0.5
497.32666	3.6
515.32123	100.0
516.32495	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	515.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06553	2.8
52.86278	2.4
53.03945	5.6
55.01879	2.6
55.05503	19.9
57.03434	9.1
57.07078	3.3
61.02916	5.3
65.03938	4.6
67.05502	94.6
67.69196	2.4
69.03422	8.0
69.07074	21.6
70.14664	2.5
71.04986	6.4
73.02916	4.0
75.04491	3.0
79.05492	63.1
81.03414	2.9
81.07054	100.0
82.07390	3.3
83.04987	4.9
83.08624	11.2
85.02907	5.4
85.06537	3.1
85.14032	2.4
91.03970	3.8
91.05479	41.7
92.17278	2.5
93.07044	73.3
95.04971	9.0
95.08607	73.3
96.77301	2.5
97.02887	7.0
97.06532	4.5
97.10177	3.7
98.22572	7.0
99.04394	2.6
99.08105	4.9
105.07027	25.5
107.04969	5.7
107.08598	38.3
109.06506	5.3
109.10158	36.7
110.47440	2.4
111.08099	4.0
117.07005	15.7
119.08582	20.0
121.06497	3.9
121.10144	32.0
123.08052	3.8
123.11683	19.1
129.07040	6.0
131.08548	22.3
133.06459	3.1
133.10109	21.0
135.08122	4.9
135.11697	29.2
137.13306	6.4
143.08540	5.0
145.10098	20.0
147.11664	13.7
149.09595	4.3
149.13255	16.2
151.14801	3.1
157.10156	3.3
159.11708	15.6
161.13237	11.4
163.11230	3.0
163.14838	12.4
165.12743	3.8
168.42102	2.7
169.10071	3.2
173.13234	15.2
175.14810	4.5
177.12762	4.1
177.16371	8.3
187.14824	6.5
201.16414	3.4
233.22630	4.5
243.20998	24.4
261.22110	73.2
261.24707	5.0
262.22308	3.7
279.23175	6.6
335.25735	23.0
345.24173	4.1
353.26746	13.0
369.24286	3.0
419.27753	3.4
497.31155	5.3
515.33417	10.1
534.85541	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	515.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12361	0.8
51.02372	1.6
53.03953	6.2
55.01855	4.0
55.05510	26.7
57.03442	8.9
57.07070	3.3
65.03944	3.1
67.05505	71.9
68.05824	1.1
69.06724	1.7
69.07068	19.0
69.88557	2.5
69.88907	1.4
71.01351	3.4
71.04978	5.5
77.03943	1.9
79.05493	74.0
80.05830	1.8
81.03436	5.0
81.07056	62.6
83.04983	10.5
83.08615	10.3
85.06540	4.4
87.04464	1.3
91.05481	42.6
93.07043	80.5
95.04982	6.8
95.08603	33.3
97.06531	13.5
97.10163	10.3
98.22679	1.6
99.08082	2.1
105.04520	2.7
105.07036	22.3
105.07679	1.9
107.04981	2.8
107.08595	48.3
108.08864	1.5
109.06490	2.3
109.10165	16.6
111.08081	2.6
115.05413	1.3
117.07014	13.8
119.08585	19.5
119.09443	1.4
121.06483	1.8
121.10144	29.7
123.08070	1.7
123.11710	3.7
125.09647	2.4
128.06267	1.8
129.07014	5.0
130.07854	1.5
131.08560	19.9
133.10130	17.2
135.08099	1.6
135.11693	55.8
136.12054	1.8
137.09621	2.4
141.06927	1.2
143.08548	8.2
145.10124	20.2
147.11708	8.0
149.13269	5.5
153.12753	4.5
155.08556	2.3
157.10072	6.5
159.11707	11.8
161.13274	5.6
163.11205	5.6
163.14803	2.4
169.10130	3.1
171.11642	4.9
173.13264	9.2
175.14919	2.0
181.10089	1.3
181.12242	9.2
183.11717	3.4
185.13260	4.0
187.14772	4.8
195.11667	1.6
197.13322	1.9
199.14835	1.9
201.16408	2.4
211.14815	1.3
213.16373	1.5
243.21147	2.8
261.22073	8.1
277.21603	1.1
317.24924	2.8
327.22992	1.4
367.69357	1.1
405.31729	2.8
423.32693	6.7
438.05508	1.0
441.33679	3.5
459.34650	1.9
497.36157	2.9
515.37323	100.0
516.37946	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	516.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01866	2.0
55.05512	2.9
57.03444	1.7
65.26729	0.5
66.27178	0.5
67.05502	2.4
68.93017	0.5
69.03437	6.9
69.07069	1.9
69.22661	4.1
71.01366	0.5
71.04982	1.4
73.02896	0.7
75.90455	0.6
79.02447	0.5
79.05490	4.0
81.03416	3.0
81.07047	0.9
83.04989	3.2
85.02904	4.9
87.00822	1.3
87.04460	1.6
91.05478	3.9
93.07043	4.9
95.04967	4.1
95.08627	1.0
97.02889	6.1
97.06535	13.6
98.22649	1.4
99.04462	1.7
105.01866	1.7
105.07032	2.9
107.04919	1.0
107.08585	6.4
109.02889	2.6
109.06521	0.6
115.03935	0.6
116.06238	1.1
117.07023	0.8
121.10126	4.2
123.08092	1.2
127.03958	2.8
129.07007	0.9
130.04964	0.5
131.08594	4.2
133.10126	1.3
135.04401	1.1
135.08069	1.3
137.09665	0.6
141.69049	0.5
145.04971	0.9
149.09621	100.0
150.09940	3.5
159.03008	0.7
159.04405	1.5
161.02327	1.6
161.09618	6.0
163.03902	5.7
173.02373	5.2
173.13196	0.5
175.07509	0.6
175.11188	1.1
177.09077	2.2
179.10693	6.3
183.08080	0.9
185.09679	1.1
187.07535	0.6
197.06009	1.0
199.04025	0.5
201.05467	0.8
201.09122	1.0
209.09673	0.6
215.07011	6.2
225.09088	1.4
231.04959	0.8
233.15361	79.8
234.15727	3.8
241.08640	1.3
241.12059	0.6
255.09950	0.6
259.09680	11.5
265.12177	0.8
267.13730	1.2
283.13330	1.0
309.14749	1.5
311.12744	2.5
313.14423	1.1
327.15948	1.3
337.14340	1.3
354.14001	0.8
355.15329	4.7
413.33090	0.6
485.19879	0.9
516.21466	0.7
516.28503	1.2
517.21094	2.4
517.29797	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.8
55.01868	17.9
55.05510	40.1
56.53927	3.2
57.03436	10.5
58.06604	5.8
59.04994	3.8
63.26430	3.1
63.30826	2.8
67.05505	34.8
69.03434	28.9
69.07069	44.8
69.30561	2.9
69.45164	7.7
69.45580	12.4
71.01363	4.7
71.04987	10.1
75.15337	3.0
77.93501	2.6
79.05497	51.1
81.03419	77.4
81.07053	52.6
83.01335	19.2
83.04978	23.2
83.08614	29.4
85.02905	25.2
91.05483	34.2
93.07037	52.9
94.07410	3.9
95.04971	18.3
95.08610	21.3
97.02892	29.2
97.06555	15.5
97.10175	6.1
99.04467	10.5
105.07023	24.8
107.04951	15.5
107.08591	29.5
108.04494	4.8
109.02881	37.4
109.06512	16.7
109.10150	8.6
111.04464	5.5
111.08075	4.3
117.07003	17.8
119.08551	16.7
121.06519	10.0
121.10162	19.1
123.04436	3.0
123.08066	16.9
125.06005	5.4
125.09634	5.1
127.03906	61.7
128.06332	3.1
129.07057	3.5
130.07761	3.3
131.08583	13.3
133.10178	7.6
135.08098	7.6
135.11685	22.9
142.02003	2.9
145.04988	7.1
145.06413	3.4
145.10135	35.6
147.08044	7.3
147.11639	3.9
149.09572	4.0
151.11145	3.8
153.12738	7.4
163.11176	72.5
165.27249	3.0
173.09627	12.4
181.12178	13.9
184.07391	5.3
191.10687	13.3
209.11737	100.0
227.12779	93.0
236.14915	17.3
237.14946	3.8
281.14011	3.5
299.14639	3.8
316.55914	3.2
335.14865	5.0
343.37021	3.0
353.15945	72.9
354.16324	4.5
363.25317	3.6
371.17014	14.3
498.37961	17.2
516.34003	10.6
517.35138	4.2
539.21075	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	516.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	8.2
55.05511	84.2
57.03431	17.4
57.07079	11.3
61.06359	6.0
61.10257	8.2
67.05504	32.8
69.03434	8.1
69.07064	48.9
71.08613	12.6
72.05417	6.6
79.05492	37.0
81.03420	8.8
81.07067	37.5
83.04948	7.2
83.08622	66.0
91.05486	10.1
93.07049	16.1
95.08588	31.1
97.10163	98.1
98.23349	17.0
105.07061	10.4
107.08592	32.5
109.10181	8.8
117.06980	7.7
121.10129	7.8
125.09629	68.7
135.08025	7.6
135.11644	6.7
163.11206	6.9
189.11174	45.0
227.12784	88.9
228.31955	6.4
236.14877	8.4
245.13821	93.2
246.14009	7.2
311.25763	100.0
313.27374	13.4
344.83167	7.5
481.35181	90.7
482.35391	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	517.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12794	1.3
51.02361	1.9
53.03936	5.8
55.01857	4.1
55.05282	1.5
55.05510	19.8
57.03431	7.7
57.07077	2.7
65.03925	4.0
67.05504	73.5
69.03428	3.3
69.07064	27.9
69.54507	6.5
71.04977	4.6
71.08630	2.4
73.06529	1.4
77.03893	2.5
78.60381	1.3
79.05492	63.0
81.03421	28.6
81.07059	61.9
83.04987	6.7
83.08611	8.9
85.02911	8.4
85.06542	2.7
91.05481	100.0
93.07043	67.0
94.07385	1.4
95.04972	13.6
95.08605	65.9
97.06528	8.9
97.10167	2.3
99.08130	1.6
103.05462	1.4
105.04522	3.1
105.06383	2.6
105.07031	33.0
107.04939	4.5
107.08592	28.6
109.06499	4.4
109.10162	25.4
111.08079	2.2
115.05463	1.8
117.07022	17.3
119.08578	88.5
120.08812	2.2
121.06499	5.2
121.10131	24.4
123.08037	2.6
123.11700	5.1
125.09621	4.3
128.06253	2.8
129.07025	8.5
131.08566	25.9
133.06496	2.8
133.10110	17.5
135.08043	4.0
135.11702	16.5
137.09615	35.2
137.13258	1.9
141.06947	2.5
143.07030	5.8
143.08546	8.2
145.06439	2.4
145.10127	18.3
147.08022	6.6
147.11711	12.2
149.09589	5.0
149.13272	7.3
151.11238	1.9
153.09030	1.6
155.08554	5.5
157.10130	8.1
159.08070	1.8
159.11685	15.7
161.09613	2.5
161.13277	10.5
163.11169	2.1
163.14726	1.8
165.09106	22.1
169.10103	2.7
171.11678	7.3
173.09627	2.5
173.13242	10.6
175.11150	1.8
175.14906	3.2
180.93590	1.5
181.10114	3.1
183.10165	11.3
183.11658	3.7
185.11720	2.6
185.13252	5.3
187.14786	4.1
189.12801	1.8
195.11729	1.8
197.13214	2.8
199.09674	3.0
199.14841	3.9
209.13272	2.8
211.14867	2.2
213.16495	2.8
219.13673	1.5
227.12558	1.7
237.33548	1.4
239.12799	6.5
243.21233	1.8
253.19576	2.0
259.20560	3.0
261.22198	9.7
267.16028	1.5
271.64221	1.3
275.05389	1.5
283.24216	1.5
285.22079	3.8
289.21417	1.7
301.25150	3.2
303.23157	3.5
305.21143	1.5
317.24985	1.8
327.23218	2.2
332.22696	1.4
335.25684	9.2
341.24643	1.9
389.28204	4.0
398.85916	1.7
407.29468	11.6
425.30133	7.3
443.31552	3.8
481.32693	2.0
499.33987	28.9
500.33957	2.0
517.35077	69.2
518.35443	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	517.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	1.0
51.02359	1.6
53.03939	9.0
55.01867	4.7
55.05510	31.1
57.03435	13.3
57.07075	2.6
59.05012	1.2
65.03942	6.0
67.05501	69.8
69.03430	5.1
69.07068	15.0
69.45835	4.3
69.46243	1.8
71.01402	0.9
71.04989	7.1
77.03912	2.1
79.05491	100.0
80.05820	2.2
81.03417	53.7
81.07051	61.3
83.04977	13.0
83.08621	25.0
85.02898	23.4
85.06544	3.2
86.03957	0.9
91.04638	1.4
91.05479	70.2
93.07040	84.0
94.07378	1.3
95.04966	32.7
95.08604	29.0
97.02883	2.3
97.06525	7.9
97.10157	5.5
99.04434	1.2
99.08085	4.6
101.47348	1.1
103.05476	1.3
105.04514	3.8
105.07025	47.0
106.07377	1.0
107.04953	5.2
107.08587	26.3
109.06506	4.8
109.10155	14.5
111.04422	2.9
111.08064	13.0
113.06005	3.3
113.09664	1.1
115.05460	3.3
116.06211	1.1
117.07014	13.7
119.08581	32.6
121.06508	2.0
121.10136	55.6
122.10429	1.4
123.08072	4.5
123.11700	5.9
125.09627	6.5
128.06277	1.5
129.07016	13.5
129.07922	1.6
131.08569	21.5
133.06514	3.5
133.10121	20.5
133.11078	1.7
135.08067	3.2
135.11676	10.1
137.09645	2.7
137.13179	1.1
139.11174	1.8
141.06981	1.6
142.07770	3.6
143.08578	4.0
145.10107	11.4
147.08018	2.6
147.11670	17.9
149.09627	6.3
149.13264	3.5
151.11203	2.2
155.08560	1.1
157.10107	12.9
159.08150	1.1
159.11726	7.1
161.09529	1.7
161.13281	3.3
161.37663	1.0
163.11183	2.8
163.14940	1.0
165.12779	2.8
169.10060	1.3
171.11699	4.1
173.13329	5.5
175.11171	13.4
175.14903	1.4
183.11732	2.4
185.13295	1.3
187.11163	1.1
187.14819	1.8
189.11244	3.3
189.16432	1.2
193.12231	50.6
195.11670	1.4
197.13319	2.0
199.14886	1.4
205.19531	1.2
211.11237	2.4
211.13263	47.3
212.13617	1.6
215.17940	6.9
227.12791	2.2
231.17543	1.6
233.19081	4.2
237.16685	1.4
239.18044	1.4
257.18942	2.2
267.15823	6.0
273.22141	4.6
275.20114	1.4
285.16965	5.1
307.22672	4.1
329.24603	1.3
389.28378	1.8
407.24780	1.2
407.29245	5.3
425.30255	4.3
443.31879	1.6
450.85818	1.1
481.33182	1.5
499.34167	12.7
500.34497	1.2
517.35242	78.3
518.35516	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	517.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.2
53.03947	5.9
55.01872	12.2
55.05511	40.2
56.05827	1.0
57.03435	7.8
57.07070	5.7
59.05001	3.4
65.03934	4.6
67.05505	95.5
68.05840	1.5
69.01962	1.2
69.02377	5.3
69.03426	1.9
69.07069	21.5
71.01349	1.4
71.04991	5.4
71.08628	3.2
77.03934	1.0
79.05492	58.2
80.05804	1.0
81.03421	16.0
81.07056	100.0
82.07374	2.5
83.01341	9.9
83.04982	16.1
83.08617	23.0
85.02884	4.5
85.06550	4.9
85.10182	1.7
91.05479	43.9
92.05811	0.8
93.07043	53.3
95.04974	12.7
95.08607	52.7
96.08946	1.1
97.02901	1.6
97.06525	9.5
97.10170	11.4
99.04449	2.4
99.08095	7.6
102.65023	0.8
103.05448	1.0
105.03407	0.8
105.04515	1.9
105.07026	26.6
107.04948	10.3
107.08588	29.6
107.09293	1.8
109.06525	8.7
109.10158	22.7
111.04433	2.6
111.08073	4.9
111.11720	1.1
113.09641	2.5
115.05465	1.7
117.07009	13.5
119.08582	22.3
121.06528	5.0
121.10146	20.4
123.08065	11.3
123.11700	13.5
125.05990	2.1
125.09644	9.1
129.06978	4.8
130.07794	1.2
131.04860	1.0
131.08557	11.4
133.06470	1.2
133.10139	11.9
135.08029	3.4
135.11700	22.6
137.09624	3.2
137.13254	3.7
139.11156	1.5
141.06999	1.5
143.08569	4.5
145.06519	1.7
145.10129	21.8
146.47156	0.9
147.08084	2.3
147.11685	9.8
149.09648	3.0
149.13268	3.9
151.11224	1.6
151.14876	1.5
153.09184	1.2
153.12770	4.7
155.08575	2.5
157.10106	2.2
159.08160	1.2
159.11697	3.8
161.09529	0.9
161.13240	5.7
163.11183	29.1
165.09065	0.9
167.08589	0.9
169.10178	2.0
171.11720	2.7
173.09619	4.8
173.13203	2.0
175.14789	4.7
177.16411	0.9
179.14346	1.4
181.12286	6.1
183.11703	2.4
185.13229	2.2
187.11130	1.6
187.14803	1.3
189.11252	3.6
189.16338	1.8
191.10716	3.5
195.11707	1.3
197.13303	2.3
199.14835	1.2
209.11731	8.7
217.19479	9.1
225.16339	1.1
227.12733	6.6
230.19939	0.9
233.19006	1.0
235.20563	4.8
245.22566	0.9
255.21054	1.0
257.19028	1.4
257.39850	0.8
267.15909	1.2
273.22119	5.2
275.20078	1.0
283.15396	8.1
327.23141	1.8
389.28238	1.4
397.31265	1.4
407.29352	3.2
425.30273	7.0
443.31683	2.7
461.32440	2.5
499.34198	8.6
500.34344	1.0
517.35205	81.5
518.35449	6.6
531.31104	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.01868	3.5
55.05513	17.4
56.05041	1.1
56.55708	1.1
57.03434	6.2
57.07079	6.7
58.06631	1.3
60.08162	3.4
64.15108	1.2
67.05506	34.9
68.99848	3.5
69.00263	7.8
69.03432	2.6
69.07067	11.4
71.04977	2.9
71.07388	2.8
71.08640	4.2
79.05492	23.0
79.67545	1.0
81.03404	10.2
81.07055	34.9
83.04992	3.8
83.08617	11.4
85.06530	1.7
86.09702	19.6
91.04915	1.3
91.05476	22.1
93.07045	23.4
95.04975	10.8
95.08606	21.1
97.06541	4.1
97.10165	10.8
104.10744	100.0
105.07030	19.1
107.04965	3.6
107.08592	16.6
109.06533	4.1
109.10172	12.8
111.08061	3.4
115.05488	1.3
117.07027	8.5
119.08582	15.2
121.06515	5.1
121.10153	13.8
123.08071	3.7
123.11724	4.8
125.09621	8.7
129.06996	8.6
131.08575	11.1
133.06532	2.2
133.10132	10.5
135.08073	5.2
135.11708	10.3
137.09631	1.5
141.07068	1.3
143.08626	5.5
144.09358	1.6
145.06538	1.6
145.10138	10.4
146.98181	12.8
147.08031	2.6
147.11658	7.4
149.09669	3.0
149.13258	4.2
151.11194	2.1
153.12788	1.6
155.08582	2.4
157.10149	4.5
159.08057	2.5
159.11687	7.0
160.95256	1.1
161.09659	2.4
161.13272	4.3
163.11227	4.1
169.10109	2.9
171.11714	3.8
173.09651	2.1
173.13240	4.8
175.11159	2.2
175.14865	2.8
177.12758	1.8
183.11687	3.6
185.13210	4.1
187.14893	2.7
189.11235	4.1
189.16461	2.1
193.12291	4.1
195.11662	1.8
197.11566	1.2
197.13280	2.4
199.14861	2.2
201.12712	2.1
213.16409	2.3
215.14525	1.2
215.17976	4.4
227.12733	6.2
233.18941	6.2
245.22585	1.4
251.20047	1.6
257.19199	1.9
267.15967	7.0
268.13495	1.2
273.22119	5.0
275.20175	1.7
284.88095	1.3
287.20041	2.0
307.22650	4.9
313.27341	6.6
335.21518	1.3
401.27090	1.5
407.29446	5.1
425.30643	6.8
443.31561	5.0
459.24805	48.6
499.34076	21.9
500.34610	1.3
517.35278	34.2
518.31879	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	517.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.1
54.43658	1.6
55.01873	3.8
55.05516	25.5
57.03436	8.6
57.07070	4.7
58.06567	1.3
65.03947	2.3
67.05506	51.7
69.07072	20.2
69.40851	7.6
71.05010	1.8
79.05492	33.5
81.03410	2.1
81.07059	57.0
82.06114	1.5
83.04984	3.0
83.08610	14.9
85.06541	3.0
91.05483	33.3
93.07043	46.9
94.07389	1.7
95.04975	4.8
95.08607	44.1
97.06537	5.3
97.10191	7.2
98.22684	2.1
99.08105	2.5
105.07032	35.9
107.04948	2.5
107.08593	29.4
109.06516	2.2
109.10158	17.6
111.08094	3.5
117.07027	12.0
119.08579	35.7
121.06603	1.7
121.10149	20.5
123.08102	2.3
123.11729	5.6
125.09654	2.1
128.06259	1.9
129.07039	4.9
131.08575	23.8
133.10130	28.3
135.08118	2.2
135.11699	14.6
137.09637	2.7
137.13257	1.8
141.07069	1.8
143.08548	9.7
145.10133	23.1
146.77975	1.5
147.11705	20.0
149.13223	8.2
155.08591	2.4
157.10114	7.8
159.11684	15.9
161.13255	12.4
163.14879	4.4
169.10139	4.7
171.11693	8.5
173.13258	12.4
175.14880	5.6
183.11705	4.1
185.13300	6.4
187.14847	7.1
189.16438	2.2
191.14276	1.7
197.13297	3.5
199.14880	6.6
201.16354	3.3
211.14890	2.4
213.16438	2.6
225.16347	1.8
238.15594	2.4
241.18037	4.8
245.18723	1.8
259.20651	3.5
262.22498	1.7
267.21259	1.8
273.22260	2.1
287.23849	4.0
289.21698	1.6
299.23502	1.7
301.25278	1.8
303.23337	1.9
315.23373	1.6
317.24570	1.6
333.24313	2.9
360.25186	1.6
405.30228	3.3
407.33331	5.3
419.31528	4.1
425.34274	20.8
443.35406	8.5
447.31567	2.1
461.36282	2.1
499.37915	22.2
500.38550	1.6
512.34509	2.0
517.38995	100.0
518.39478	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.2
55.01868	16.4
55.05513	45.0
57.03436	1.6
57.07073	11.0
58.03958	1.4
61.25784	1.7
65.03933	2.5
67.05505	42.8
69.07073	39.0
69.12954	11.3
71.08630	7.9
79.05495	51.9
81.03419	6.6
81.07059	39.7
83.04980	9.0
83.08620	30.9
83.26392	1.6
83.55089	1.6
85.06515	2.6
85.10173	4.4
91.05482	35.9
93.07046	36.9
93.70580	1.6
95.04968	12.1
95.08601	21.6
97.06516	4.7
97.10179	23.6
100.46361	1.6
103.05450	1.7
105.04614	1.4
105.07017	20.4
105.07652	1.5
106.07486	1.7
107.04951	5.2
107.08601	15.4
109.06522	3.3
109.10162	7.5
110.82285	1.7
111.08092	2.5
111.11720	4.8
117.07001	3.3
119.08568	12.6
121.10143	12.3
125.09686	1.8
129.07018	8.6
131.08589	2.8
133.10112	3.4
133.47827	1.8
135.11671	7.5
143.08577	3.9
145.10182	4.3
147.11713	17.2
149.13252	3.3
159.11797	1.9
161.09613	2.1
161.13277	7.4
171.11729	11.5
189.12750	6.0
207.13828	13.9
224.14093	1.9
225.14755	2.3
237.22127	24.5
237.24403	2.0
430.99530	1.6
517.38855	100.0
518.39081	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	518.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.5
53.03945	1.8
55.01866	1.4
55.05514	3.2
56.05023	0.7
57.03437	0.5
57.98793	0.9
58.99583	18.0
59.04989	0.6
65.03941	0.7
67.05508	7.0
69.03429	1.4
69.07068	1.5
71.04993	2.3
73.01150	0.6
74.00665	0.9
76.02225	97.9
76.03988	3.1
77.03938	0.8
78.69393	0.5
79.05493	13.8
80.05003	1.7
80.16737	0.4
80.87566	0.4
81.03411	1.2
81.07050	8.2
83.04991	2.8
83.06100	0.9
83.69849	0.5
84.04503	16.7
85.02940	1.1
85.06497	0.4
86.99039	4.2
87.04507	0.7
88.02217	1.2
91.05476	22.8
93.07043	13.2
95.01285	0.5
95.04950	2.1
95.08591	0.7
97.02878	0.6
97.06542	2.2
101.06013	0.6
102.05623	0.5
103.05457	1.0
105.04532	1.0
105.07024	41.0
105.35326	0.4
106.07355	0.7
107.04945	0.6
107.08585	7.2
109.06511	2.1
111.02722	0.6
114.03734	1.2
115.05477	1.1
116.01672	23.9
116.06235	1.1
117.07008	1.9
119.04922	0.5
119.08578	15.7
121.06497	0.7
121.10136	11.1
121.96027	0.5
128.06238	0.9
129.07010	8.7
130.04997	9.7
131.08562	36.6
133.06517	0.8
133.10121	17.0
135.11684	4.4
141.04813	1.3
142.03214	9.5
142.07761	3.9
144.01141	13.3
145.10095	4.4
146.25160	0.5
147.04437	0.5
147.08020	1.7
147.11668	8.2
149.09604	4.3
153.06529	0.5
157.10097	5.6
162.02191	49.5
163.03838	0.6
163.11180	5.9
167.10651	0.7
170.02705	2.9
173.02335	0.6
175.11174	15.2
179.04842	100.0
180.05124	1.3
181.12216	4.2
187.05379	2.0
192.54887	0.4
193.12230	7.9
199.05374	0.9
211.13306	1.0
215.04861	3.2
215.06882	1.0
216.03305	1.0
233.05882	19.1
245.05933	3.2
259.09692	1.0
269.12000	0.8
272.98868	0.4
286.14725	4.7
290.08084	1.1
291.06454	2.0
308.09067	42.3
309.09360	1.3
389.17300	5.2
443.18481	2.4
465.25360	0.5
500.20569	0.6
518.21515	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	2.3
53.03943	7.7
55.01874	6.8
55.05504	7.2
57.03417	5.6
57.07038	2.6
61.02927	3.4
67.05494	8.8
69.03429	75.2
69.07060	20.0
70.56749	4.1
70.57098	5.0
71.01359	4.3
71.04985	8.4
72.58252	2.1
75.81815	2.1
79.05493	21.0
80.05020	6.5
81.03415	30.8
81.07052	26.8
83.01337	3.6
83.04981	15.8
83.08622	4.0
85.02896	51.7
85.03366	3.6
87.00814	21.8
89.03920	5.1
91.05457	12.4
93.07050	16.5
93.59048	2.7
94.31831	2.3
95.04945	11.6
95.07777	2.6
95.08599	21.3
95.73332	2.7
96.05353	2.6
97.02891	39.9
97.06523	84.8
97.07148	4.6
98.03230	3.0
98.06876	5.1
99.04456	20.4
105.01860	46.0
105.07030	30.9
107.04962	3.9
107.08582	15.7
109.02864	14.5
109.06522	4.7
109.10138	6.8
111.04410	3.6
117.03369	7.0
117.07033	4.8
119.08577	27.4
121.06540	3.0
121.10128	8.0
123.04395	4.6
123.08016	2.6
127.03901	40.3
129.07016	3.1
131.08572	13.1
133.06577	2.3
133.10115	27.0
135.04405	11.6
135.08047	4.0
135.11691	3.9
139.03877	2.7
141.06944	3.6
142.07732	4.3
143.08546	7.5
145.02859	11.9
145.04971	12.5
145.10095	11.9
147.04332	2.9
147.08047	3.3
147.11691	17.9
149.09647	3.8
157.10104	13.6
159.02905	5.7
159.04318	3.5
159.11703	16.1
161.02321	9.3
161.09616	13.3
161.13243	3.0
163.03897	66.7
163.11104	2.6
164.04266	4.2
171.11682	6.6
173.02328	14.7
173.13226	17.3
174.02673	2.8
175.04022	3.0
175.11185	9.8
175.14838	34.3
179.10667	3.7
189.03986	3.1
189.12767	4.8
189.16386	18.1
199.14789	16.8
213.09012	2.9
215.06998	31.1
216.07310	5.2
217.15860	69.4
217.17833	3.9
218.16071	3.9
219.04271	2.7
231.05002	12.6
235.16888	26.9
241.08545	7.0
249.06088	6.3
259.09659	100.0
260.10022	14.8
301.87433	2.5
303.50888	2.5
311.12689	5.3
312.13235	3.4
356.15939	11.3
383.10684	3.6
403.14047	3.5
421.14847	4.6
452.95746	3.0
486.20139	4.4
494.68210	2.5
518.23279	15.5
518.29712	3.8
519.19421	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	518.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.8
55.01876	8.3
55.05510	12.7
57.03446	8.0
61.02937	4.0
65.03936	1.8
67.05511	14.0
68.05028	2.5
68.99777	2.6
69.03436	92.1
69.07072	19.9
70.03788	2.7
71.01365	2.6
71.04996	4.4
73.02918	3.7
73.74439	1.6
79.05495	22.7
80.05013	7.2
81.03423	32.2
81.07059	31.5
82.03774	1.8
82.06612	1.7
83.04985	14.0
85.02909	69.6
87.00835	31.8
89.03917	3.5
91.04958	2.5
91.05479	21.0
93.07056	19.1
95.04967	11.3
95.08619	28.7
96.05316	2.7
97.02896	54.6
97.03523	3.3
97.06537	91.7
98.06081	2.3
98.06871	7.3
99.04469	21.3
99.08095	2.0
99.89413	1.7
103.05482	3.9
103.88815	1.5
105.01874	47.7
105.07038	36.2
106.07379	1.5
107.04999	2.2
107.08599	20.5
109.02886	20.9
109.06535	3.8
109.10151	8.4
111.04483	3.6
111.08144	1.8
115.05495	2.1
117.03399	6.5
117.07020	4.8
119.05014	1.7
119.08588	36.3
121.06540	2.1
121.10156	12.6
123.04464	3.5
123.08099	3.2
123.11710	2.4
125.36942	2.0
127.03924	54.4
128.06235	2.6
129.07004	3.5
130.05055	2.1
131.08575	19.4
133.10126	27.8
134.03621	2.3
135.04405	13.9
135.08051	3.4
135.11679	4.0
137.09636	3.6
139.03908	4.5
141.07030	1.7
142.07785	4.8
143.08565	9.4
145.02852	10.3
145.04959	21.8
145.06042	2.4
145.06526	1.5
145.10097	12.5
147.04445	4.2
147.08081	5.8
147.11685	18.4
149.09641	5.3
156.09312	3.4
157.10146	14.7
159.02885	5.0
159.04350	3.5
159.11694	17.0
161.02364	9.4
161.09624	16.2
161.13277	4.6
162.03008	1.8
163.03918	68.5
163.11230	3.0
163.14821	2.2
163.93843	1.8
164.04245	4.4
169.06570	2.1
169.10081	1.9
171.08075	1.8
171.11696	8.3
173.02370	20.2
173.05960	4.0
173.13274	19.9
174.02641	3.0
175.11215	9.1
175.14830	48.6
177.05457	3.6
178.80351	1.7
185.06009	1.9
187.07489	2.6
189.12776	6.2
189.16399	23.9
191.03450	2.4
191.14290	3.5
197.05914	2.9
197.69638	2.0
199.07669	3.1
199.14835	20.7
201.09079	2.2
203.07054	2.4
213.03877	2.9
213.05681	2.2
215.07036	34.3
216.07390	7.3
217.15886	77.6
218.16190	3.0
226.09798	1.7
231.05008	12.8
231.10184	2.2
233.07945	2.3
235.16974	26.9
238.48984	1.7
241.08630	6.9
248.08182	1.7
249.06119	7.4
259.09671	100.0
260.10031	14.7
277.10428	2.4
284.10028	2.0
284.13559	1.8
310.15125	2.5
311.12711	5.8
312.12955	4.8
314.14703	2.6
324.11435	1.9
339.12314	2.5
355.15378	3.6
356.15784	9.0
401.16986	1.8
403.13669	2.7
415.12769	2.7
421.15024	9.7
422.14807	2.2
474.20410	2.8
486.20242	4.9
518.23267	14.8
519.18048	3.7
519.23285	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	518.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15310	0.1
55.05503	0.3
56.05032	0.7
57.03425	0.2
58.06369	0.2
58.06634	0.4
59.07401	0.1
60.08164	7.1
60.19297	0.1
67.05503	0.8
69.69778	0.5
70.06635	0.2
71.07376	3.7
71.35985	0.1
79.05497	0.6
81.07050	0.7
83.08606	0.2
86.09705	34.8
87.10043	0.4
91.05482	0.4
93.07029	0.6
95.08614	0.4
97.06565	0.1
98.98467	3.8
98.99123	0.2
104.10741	3.3
105.07053	0.1
107.08574	0.2
109.10133	0.2
118.15647	0.1
119.08581	0.2
125.00002	24.1
143.01096	0.3
145.10092	0.1
158.45346	0.1
162.23209	0.1
178.90671	0.1
184.07338	100.0
185.07681	1.2
258.11053	0.2
283.40237	0.1
299.39392	0.1
500.31226	0.7
518.32391	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.6
56.05033	1.6
57.03427	0.7
58.06585	1.7
59.03620	0.4
59.07387	0.5
60.08165	18.0
67.05497	3.2
69.07061	1.1
70.54305	1.0
71.07378	7.8
77.83249	0.3
79.05497	3.2
81.07056	2.7
83.08617	0.5
84.82982	0.3
86.09705	53.3
87.10056	0.7
91.05475	2.0
93.07042	2.5
95.04984	0.5
95.08616	1.7
97.06519	0.6
98.98460	5.2
104.10743	94.8
105.07024	1.2
105.11086	1.2
107.04937	0.6
107.08572	1.1
109.06546	0.4
109.10150	0.7
114.09544	0.3
114.99581	0.4
119.08627	0.9
121.10165	0.7
123.08008	0.4
125.00004	31.4
133.10097	0.6
135.11696	0.6
143.01035	0.5
145.10129	0.4
163.01611	0.5
184.07343	100.0
185.07722	1.3
219.96179	0.3
258.11063	0.9
323.30911	0.4
335.25757	0.8
500.31305	7.6
501.31790	0.5
518.32513	17.2
519.33014	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.2
55.01871	7.8
55.05513	72.9
57.03437	19.7
57.07081	36.7
67.05508	31.2
69.03434	5.1
69.07076	23.5
71.04979	2.3
71.08628	22.5
79.05493	30.5
81.03413	4.8
81.07054	35.0
83.04991	5.2
83.08614	45.4
85.10172	11.1
91.05486	11.5
93.07045	10.4
95.04974	5.4
95.08607	20.1
97.06577	3.2
97.10168	67.9
98.22538	4.1
105.07040	5.3
107.04961	5.3
107.08604	23.3
108.04634	2.3
109.06534	3.4
109.10164	9.5
111.08039	3.6
117.07013	4.0
119.08578	4.4
121.10159	4.5
125.09628	50.6
131.08583	3.7
135.08072	4.9
135.11642	3.8
143.10605	2.9
145.10168	4.5
163.11221	6.2
171.10242	4.6
173.09586	3.3
189.11252	35.4
203.61833	2.3
227.12778	100.0
228.98119	2.3
237.22066	2.8
239.23759	2.8
245.13853	88.7
246.14270	4.1
313.27353	89.1
314.27655	4.1
315.96985	2.4
437.79654	2.8
483.36780	51.0
484.37128	3.7
519.36548	24.0
542.50525	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	519.1993
Annotation	Gossypol
Peak:m/z	Relative Intensity
53.03946	6.4
55.01870	9.7
55.05504	21.7
57.03446	8.0
67.05502	42.2
69.03429	7.2
69.07066	24.6
79.05494	34.7
81.03436	13.2
81.07049	33.1
83.04960	11.0
83.08621	9.2
86.09715	5.6
91.05419	27.3
93.07055	26.1
94.90115	4.6
95.04980	13.8
95.08601	17.2
97.06521	17.4
97.10200	5.8
103.32687	5.2
104.07964	5.3
105.07040	16.0
107.04952	14.3
107.08603	20.0
109.06525	12.6
109.10145	17.6
117.07035	16.5
119.08601	15.8
121.06518	7.9
121.10143	9.1
123.08118	9.0
125.09669	8.7
129.07005	10.4
131.08574	14.0
133.10115	10.0
135.11693	5.6
145.10126	12.0
147.11719	5.7
149.09586	8.7
157.10141	6.1
161.09598	5.9
163.11176	8.4
184.07353	17.7
207.83865	6.3
223.13269	11.1
275.20148	5.9
281.29880	6.0
281.71353	5.2
299.06137	16.1
396.86667	5.1
519.19702	100.0
519.28693	20.9
520.20313	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	519.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.2
54.97949	0.5
55.01877	1.4
55.05507	1.2
57.03435	0.9
67.05521	1.5
69.03432	23.2
69.07066	2.5
71.05003	1.1
78.33573	0.5
79.05486	2.6
81.03420	8.5
81.07061	0.6
83.04978	4.4
85.02916	2.3
89.03956	1.1
91.05495	1.5
93.07036	0.7
95.04995	1.5
97.02896	8.6
97.06532	21.6
97.07133	1.2
99.04465	4.7
105.07039	0.8
107.04980	0.7
107.08618	0.7
109.02916	1.1
111.04433	0.6
117.03381	1.0
123.04468	0.7
127.03936	1.4
129.07033	1.1
133.06532	0.7
133.10161	0.7
135.04427	1.3
137.06006	1.8
141.07045	0.7
144.48825	0.5
145.02905	0.9
145.10147	0.6
147.04478	1.6
157.06458	0.8
159.04440	1.4
159.08119	1.0
160.05296	0.6
161.02367	1.4
161.06018	1.5
163.03909	8.5
164.04282	0.6
169.06485	2.7
171.08076	0.8
173.02374	4.1
175.04001	1.1
185.06056	0.6
187.03952	0.8
187.07651	1.7
189.05452	0.8
189.09204	1.3
191.07069	1.3
195.08148	0.6
197.06018	2.8
198.06624	0.5
199.07529	0.5
200.04686	2.7
201.09236	0.6
203.05359	0.6
213.09135	0.9
215.07050	13.0
216.07561	0.7
217.08705	1.1
233.08015	1.3
235.09605	0.6
239.10640	0.6
257.89307	0.5
259.09689	29.8
260.10141	1.5
285.11502	0.7
299.13019	0.7
311.12967	1.3
311.81857	0.6
313.07242	1.0
315.12820	0.7
325.16327	1.2
339.12555	0.6
357.13663	0.7
357.18906	2.0
359.78693	0.5
403.14185	0.6
412.90680	0.6
421.15067	2.2
459.22122	0.7
487.21536	11.7
501.17075	0.9
519.18048	10.3
519.24335	100.0
520.18140	1.0
520.24780	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	519.368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49255	0.5
51.02383	1.3
53.00305	0.6
53.03951	4.8
55.01879	14.7
55.05514	82.9
56.05844	0.9
57.03441	5.7
57.07080	25.2
59.05011	4.4
65.03948	1.6
67.05508	22.1
69.03439	1.6
69.07072	66.2
69.81824	2.4
70.07397	0.9
71.01360	2.0
71.05000	5.5
71.08635	14.9
72.08981	0.7
73.02925	0.6
77.03915	0.7
79.05497	34.0
81.03425	16.3
81.07061	28.3
83.01349	10.7
83.04985	15.4
83.05460	0.9
83.08622	67.9
84.08997	0.6
85.02888	3.8
85.06547	1.1
85.10182	6.0
91.05475	21.9
93.07047	35.3
95.04971	10.0
95.08609	13.8
97.02889	2.5
97.06546	7.2
97.10174	44.6
98.10478	0.8
98.33553	0.6
99.04466	3.5
103.05486	1.7
105.04539	1.9
105.07030	14.9
106.07380	0.5
107.04958	11.7
107.08599	18.7
108.08949	0.6
109.06519	8.5
109.10156	3.0
111.04451	3.6
111.08102	3.4
111.11728	14.0
112.12106	0.6
115.05460	1.7
117.07032	11.3
118.07391	0.5
119.08589	11.7
121.06504	4.7
121.10144	12.1
123.04462	0.9
123.08073	9.6
123.11759	1.7
124.08461	0.6
125.06001	2.5
125.09651	3.0
125.13259	4.2
129.07021	2.7
130.07803	2.4
131.04904	0.9
131.08569	5.2
133.10121	2.9
135.08058	3.0
135.11703	17.3
137.09633	2.0
137.13286	0.9
139.07585	0.7
143.08614	1.9
145.06519	0.8
145.10130	22.1
146.10468	1.0
147.08078	2.9
147.11678	1.3
149.05981	0.7
149.09630	1.3
149.13301	0.6
151.11156	0.7
153.12721	3.8
153.16426	0.6
155.08586	1.6
163.11189	37.5
164.11598	0.6
165.09090	0.6
167.05600	1.4
173.09601	4.6
176.87277	0.6
181.12251	6.5
189.09131	1.1
191.10696	5.7
207.13954	0.5
209.11726	14.1
219.21078	1.2
227.12769	8.6
237.22124	7.7
238.15561	0.5
283.15396	1.8
299.06277	1.0
311.26071	1.0
449.11877	0.5
519.36792	100.0
520.37152	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	519.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.7
53.03941	6.2
55.01641	0.9
55.01876	14.7
55.05512	86.1
57.03207	0.6
57.03440	6.3
57.06803	1.6
57.07076	30.5
58.07390	0.8
59.04992	3.7
65.03911	1.4
65.77194	0.7
67.05507	32.6
67.31039	0.8
69.03415	2.0
69.06465	5.0
69.07068	76.6
71.01351	1.5
71.04993	6.9
71.08634	21.7
77.03931	1.0
79.05492	44.6
79.41360	0.7
81.03416	20.2
81.07056	36.4
83.01342	10.3
83.04984	17.6
83.08619	73.4
84.08935	1.2
85.02912	5.3
85.06525	2.2
85.10188	9.2
86.92743	0.7
91.04904	1.0
91.05482	30.3
93.07043	43.0
94.07377	0.8
95.04964	13.4
95.08607	19.3
97.02870	3.1
97.06532	8.5
97.10172	51.0
98.10549	0.7
99.04445	3.0
103.05440	2.0
105.04484	2.0
105.06381	1.2
105.07030	19.2
107.04948	15.8
107.08595	23.2
109.06526	9.7
109.10145	6.7
111.04455	3.8
111.08060	2.9
111.10923	0.9
111.11722	16.5
115.05395	1.7
117.07019	13.7
119.08574	15.1
121.06484	6.6
121.10146	13.4
123.04405	1.1
123.08080	13.1
123.11684	2.0
125.05962	2.8
125.09618	2.5
125.13265	5.2
129.07028	3.5
130.07777	2.1
131.08556	4.2
133.10120	3.8
135.08095	3.8
135.11700	19.5
137.09566	2.4
139.07565	0.9
139.14818	0.9
143.08543	2.0
145.06476	1.4
145.10126	24.1
147.08054	5.0
147.11742	3.8
149.09552	2.3
153.12733	6.0
155.08504	2.3
161.09613	1.0
161.13223	1.1
163.11186	40.8
164.11501	1.4
171.11707	2.8
173.09648	5.7
181.12238	7.0
191.10693	5.5
207.13788	3.3
209.11722	13.3
219.21019	0.8
227.12758	8.1
237.22139	9.5
265.14279	2.6
283.15347	0.9
311.25763	2.5
345.68835	0.8
362.68481	0.8
466.26022	0.9
497.11227	0.7
519.36633	100.0
520.36938	8.7
522.48981	0.7
528.69739	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01575	0.6
51.02385	1.4
53.03947	5.6
55.01874	14.7
55.05512	70.5
56.05863	0.8
57.03441	8.1
57.07078	13.6
59.05013	4.7
65.03937	3.5
67.05505	76.1
68.05828	1.3
69.03442	1.6
69.07068	59.3
71.01350	1.8
71.04989	8.1
71.08636	5.4
73.02917	0.8
77.03928	1.1
78.04733	0.6
79.05493	63.5
80.05820	0.9
81.02930	0.7
81.03021	0.3
81.03417	18.5
81.07057	94.2
82.07369	1.6
83.01342	10.0
83.04978	19.6
83.08618	59.7
84.05285	0.7
84.08955	1.1
85.02900	5.7
85.06542	3.5
85.10180	2.0
87.17410	0.6
91.05479	32.8
91.41295	0.7
92.05814	0.9
93.07043	69.4
94.07355	0.8
95.04969	15.2
95.08604	58.4
96.08929	1.4
97.02898	3.5
97.03434	0.6
97.06528	11.0
97.10168	23.4
98.10544	0.6
98.84500	0.6
99.04443	3.9
99.08093	4.5
103.05475	1.5
105.04514	3.3
105.07026	20.6
107.04961	13.1
107.08595	33.9
108.08972	1.3
109.06513	10.6
109.07240	0.8
109.10153	17.6
111.04440	4.7
111.08086	7.3
111.11721	5.3
113.09662	1.7
115.05449	1.6
117.07018	13.9
119.06066	0.8
119.08574	15.6
121.06506	5.6
121.10139	44.3
122.10460	1.4
123.04453	0.9
123.08077	15.8
123.11707	11.8
125.06019	2.6
125.09630	8.8
125.13252	1.1
127.11159	1.4
128.06232	0.7
129.07005	3.2
130.07809	2.2
131.04935	1.0
131.08556	6.1
133.06540	1.1
133.10127	4.4
135.04448	0.7
135.08049	4.4
135.11694	40.8
136.12065	1.6
137.09637	2.4
137.13258	6.1
139.07545	1.7
139.11189	4.2
141.12769	1.3
143.08585	2.1
145.06459	2.0
145.10121	25.0
146.10526	1.6
147.08081	3.0
147.11717	1.9
149.05959	1.1
149.09650	1.6
149.13263	8.4
151.11232	0.7
151.14809	1.6
153.06982	0.7
153.12750	7.2
155.08582	2.6
157.10222	1.0
159.11758	1.0
161.09621	0.7
161.13306	0.7
163.11180	43.0
163.14886	3.1
164.11533	0.9
165.09123	1.1
173.09625	5.9
181.12231	7.2
189.11293	2.3
191.10666	4.5
193.12378	0.7
209.11717	13.1
209.13504	0.9
219.21062	11.4
227.12769	6.9
228.15202	0.6
237.22144	14.2
265.14490	0.9
267.16071	1.3
275.23642	1.4
283.15451	5.3
309.24326	0.7
311.26144	0.8
401.66260	0.6
427.32397	1.8
428.93335	0.6
445.33209	1.0
477.76462	0.7
501.35767	2.5
519.36780	100.0
520.37122	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	520.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.4
55.01874	17.9
55.05527	1.2
57.03435	7.5
58.60463	0.9
59.04982	1.3
61.57257	0.9
66.46760	1.1
67.05492	1.0
68.99798	3.8
69.03429	41.3
70.03764	1.3
70.06598	2.5
70.32581	1.6
70.32899	1.7
70.43164	1.2
71.01363	4.2
71.04945	1.2
73.02911	4.1
75.47594	1.1
75.50869	0.9
79.05485	2.8
81.03426	4.4
83.04990	3.6
84.04482	1.4
85.02902	46.7
85.06567	1.9
86.06087	1.5
87.00831	49.9
87.04487	7.4
91.05486	1.7
95.04942	1.9
97.02889	84.8
97.06528	4.9
99.04462	3.2
103.05477	2.3
105.01868	27.3
105.07032	41.7
109.02885	2.1
113.02393	1.2
115.03925	100.0
116.04287	1.1
121.02837	1.0
127.03917	4.9
129.07054	1.0
133.10147	1.6
135.68434	0.9
137.05965	1.6
143.03481	1.2
145.04961	3.1
147.04338	1.6
155.03380	1.3
171.02959	2.6
173.02328	1.4
181.04842	1.5
183.02878	2.0
183.08179	1.2
187.07637	1.2
191.07133	1.1
201.03935	61.3
201.09096	3.6
202.04247	2.7
215.07042	3.0
218.06569	1.4
219.04997	64.5
220.05325	1.7
223.05965	1.2
226.37796	1.0
236.07579	1.4
241.07193	2.3
251.79759	1.1
259.09698	4.0
260.10126	2.8
287.05484	7.5
345.08368	1.7
453.90573	1.1
488.21692	8.1
520.18298	4.0
520.24921	14.3
521.25226	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06507	0.9
51.75213	1.0
52.19492	0.9
53.03935	2.4
55.01873	20.3
55.05511	1.6
57.03433	8.2
59.33393	1.1
60.29028	1.1
65.90041	1.0
67.05498	3.8
68.04969	1.1
68.99792	4.0
69.03430	40.8
69.07041	1.4
70.33999	1.9
71.01365	5.3
71.05014	1.6
73.02927	6.2
79.05492	4.1
81.03413	4.1
81.07064	1.6
82.38620	1.0
83.04984	4.5
85.02903	46.2
85.06541	3.5
87.00829	48.5
87.04460	6.6
91.05440	1.3
93.07059	1.3
95.04991	2.4
95.08589	1.2
97.02890	77.2
97.06520	8.1
98.03249	1.6
98.06060	1.1
103.05486	2.7
105.01870	23.0
105.07030	72.6
106.07365	2.3
107.08630	1.9
109.02904	1.9
113.02401	1.8
114.05527	2.2
115.03928	100.0
116.04278	1.9
119.08607	3.7
125.02382	1.3
127.03926	4.2
131.08575	1.7
141.01869	1.2
141.06981	1.2
142.07817	1.3
143.03357	2.0
143.08583	2.3
144.06664	1.6
145.04941	2.0
145.10109	3.2
147.04430	2.7
147.08051	1.8
157.10165	1.4
159.02876	1.9
159.08029	1.6
163.03905	4.3
171.02916	2.0
173.02390	1.1
173.09660	4.3
180.08714	1.0
187.47275	1.1
189.09090	2.3
201.03944	56.2
201.09081	8.1
202.04301	1.5
212.07713	1.2
215.07118	4.4
216.07201	1.1
218.06616	2.3
219.04997	54.0
220.05186	1.5
223.06085	1.9
259.09830	6.4
260.09967	5.8
488.21838	3.7
519.24164	1.6
520.24573	30.1
521.24982	1.7
530.56689	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.8
55.01880	8.0
55.05510	18.8
55.76096	2.6
57.03435	8.2
57.07082	6.6
65.03956	2.4
67.05515	29.4
67.91537	2.6
69.03429	100.0
69.07066	23.5
70.03763	14.1
71.04991	18.4
71.28593	3.3
79.05492	25.5
81.03410	22.4
81.07057	46.1
82.07381	3.1
83.04983	45.5
83.08621	4.8
85.02892	25.4
85.06554	32.0
86.36181	2.8
87.00830	8.4
89.03947	4.5
91.05463	20.8
93.07060	23.5
95.05001	9.2
95.08614	18.1
97.02900	43.5
97.06529	94.6
97.10189	3.3
98.03248	5.4
98.06853	13.8
99.04449	16.8
99.08090	15.9
101.06052	4.0
105.01878	7.1
105.07037	66.6
107.04963	4.2
107.07432	2.8
107.08595	28.1
109.02886	7.2
109.06529	5.1
109.10170	13.5
115.03896	5.0
117.03382	6.4
117.07064	5.7
119.08575	25.4
120.10690	3.0
121.06473	2.9
121.10127	19.0
123.04476	3.2
123.08064	3.5
123.11772	6.2
125.09621	33.5
127.03938	14.9
127.07558	6.8
127.11214	4.8
131.08589	8.3
133.02831	4.0
133.10130	77.7
135.04434	12.2
135.11716	8.3
137.05977	5.2
139.11174	3.0
143.10675	62.3
145.02861	10.9
145.04906	3.3
145.10115	16.7
147.04428	4.0
147.11688	24.8
149.13261	7.9
151.11217	3.5
159.04366	3.9
159.11679	14.4
161.02350	8.5
161.13286	12.6
163.03909	74.7
164.04250	23.5
167.14313	4.8
169.12305	3.9
173.02316	22.0
173.13239	5.6
174.02689	9.1
174.06264	3.9
175.03973	2.9
178.13693	2.6
185.05962	3.1
187.07564	4.3
201.05527	5.4
201.16489	15.1
206.63255	3.1
207.14029	3.3
208.44878	3.1
215.07034	26.4
216.07242	13.1
219.17438	45.5
231.04991	3.5
237.14946	3.7
237.18440	13.6
241.08624	8.4
259.09662	89.0
260.10010	60.5
391.13959	5.0
404.14120	4.5
419.13480	4.8
422.15262	5.7
437.14575	4.5
503.19159	4.5
520.18793	16.1
521.20038	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	520.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.7
55.01870	7.2
55.05524	11.6
55.78075	2.5
57.03433	6.4
57.07072	6.6
67.05509	24.5
68.05762	2.8
69.03432	97.1
69.07070	22.4
70.03757	11.8
71.04986	21.1
73.06554	3.6
79.05499	22.6
80.05846	2.4
81.03417	16.0
81.07054	28.1
83.04984	33.7
83.08600	3.6
84.05318	5.7
85.02897	15.1
85.06548	28.1
87.00837	6.0
87.04455	3.5
89.03902	3.3
91.05495	13.2
91.07838	2.1
91.37437	2.5
93.07050	27.9
95.04960	7.4
95.08602	32.0
97.02895	38.6
97.05910	4.8
97.06537	100.0
97.10174	2.4
98.03247	3.9
98.06863	16.1
99.04441	13.5
99.08067	4.3
100.04801	4.7
101.72473	2.5
105.01869	5.9
105.07044	30.4
107.04960	4.2
107.08595	28.4
109.02866	5.0
109.10136	17.7
115.03916	6.2
117.03400	2.2
117.07000	3.5
119.08593	12.8
121.10136	16.5
123.08035	4.4
123.11713	4.6
125.09626	16.4
127.03943	15.6
127.11222	2.8
128.04190	2.6
131.08557	9.0
133.02821	2.9
133.10127	42.3
135.04410	9.9
135.11696	6.7
139.11275	2.7
143.10677	21.4
145.02864	7.0
145.04947	4.0
145.10149	13.4
146.03290	2.6
147.11694	15.0
149.13272	21.6
159.04428	5.6
159.11652	8.9
161.02348	11.8
161.13283	8.3
162.02698	3.9
163.03909	57.5
163.11220	3.6
164.04247	24.7
167.14316	77.5
173.02321	24.3
173.13054	2.3
174.02654	8.6
191.03426	5.0
201.05525	5.5
201.16310	13.5
205.84166	2.5
208.86406	2.2
215.07050	38.5
216.07326	14.1
219.17468	30.7
227.12914	3.1
237.18489	5.5
241.08450	3.3
242.09039	3.3
259.09680	93.5
260.09985	60.8
261.10275	3.9
271.10925	2.6
391.13928	6.8
404.14420	3.8
422.15326	4.3
437.14560	3.3
503.18805	4.0
517.24365	2.6
520.18762	18.0
521.19940	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	520.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05758	2.3
53.03939	7.4
55.01876	7.0
55.05518	19.5
55.35769	2.4
57.03429	8.2
57.07073	9.8
59.04996	18.1
59.73986	2.5
67.05507	31.7
69.03434	84.4
69.07071	23.9
69.14213	19.4
70.03780	12.0
71.04990	19.5
73.02897	3.9
73.59590	2.5
73.60087	2.6
76.68682	2.4
76.96610	2.6
77.09673	2.4
79.05492	33.2
81.03440	15.2
81.07059	78.4
82.07372	3.4
83.04989	32.3
83.08623	5.8
85.02913	28.7
85.06542	29.2
87.00834	12.7
87.04505	2.6
91.05476	19.4
93.07046	48.6
95.04968	9.7
95.08610	33.7
97.02902	38.4
97.06531	100.0
97.10155	6.8
98.03256	3.3
98.06860	15.3
99.04469	16.5
99.08101	3.8
105.01872	21.2
105.07034	56.4
107.04982	2.5
107.08587	54.7
109.02885	6.3
109.06531	8.3
109.10171	34.3
109.18076	2.3
111.08099	5.0
111.45524	2.4
113.09637	3.4
115.03925	6.0
115.07602	4.8
117.07028	5.0
119.08585	35.8
121.10133	23.7
123.08065	6.4
123.11716	14.5
125.09609	38.5
127.03927	22.1
127.11189	22.3
131.08568	7.8
133.10121	38.7
135.04433	6.0
135.11691	42.4
137.09703	2.8
141.09145	4.6
143.08580	2.8
143.10670	35.0
145.02855	4.2
145.04970	11.4
145.10121	48.6
147.11693	13.0
149.13269	15.3
151.11217	18.7
159.02971	4.3
159.04448	4.2
159.11722	15.0
160.04768	2.5
161.02301	12.3
161.13239	36.9
162.02705	3.8
163.03915	39.3
163.11259	3.6
164.04260	13.9
165.09131	3.0
169.12259	5.8
171.11646	3.0
173.02356	31.2
173.13240	6.1
174.02678	7.1
175.14853	5.8
177.12740	2.7
177.16324	4.0
179.14322	17.2
191.03435	4.0
191.17973	5.7
201.05453	5.2
201.16359	30.0
215.07024	33.9
216.07396	17.9
219.17461	31.5
220.17683	3.1
231.04976	7.5
237.18512	8.8
249.05966	7.9
254.21277	3.9
259.09665	81.8
260.10040	49.1
284.09830	3.2
391.14041	6.8
396.09567	2.8
437.14413	4.6
477.21304	3.0
503.19040	5.3
520.19110	14.8
521.20032	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	520.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.9
59.04983	0.5
61.02914	0.6
69.03425	2.7
69.07067	0.5
73.02927	0.7
73.06548	1.5
81.03413	1.1
83.04997	0.9
85.02900	4.3
85.06510	0.4
86.06082	0.8
87.00820	0.4
87.04472	8.8
89.06030	100.0
90.06356	0.5
91.05467	0.6
91.07577	0.7
94.06574	2.0
97.02917	2.2
97.06516	1.0
99.04523	0.6
105.07023	0.5
107.07066	1.8
109.02887	0.6
115.03925	1.0
116.10742	0.7
116.21832	0.4
117.09150	0.9
127.03928	0.9
131.07043	3.5
133.08600	60.2
134.08937	0.5
135.10188	0.4
137.06000	0.6
142.08614	0.5
145.04945	1.1
147.04414	1.0
163.03877	0.6
163.06009	0.7
164.25845	0.5
164.81006	0.4
175.09642	1.7
175.38231	0.4
177.11223	21.4
179.12813	0.7
195.12422	0.6
198.09134	0.6
201.03853	0.7
212.16370	0.6
215.06990	0.7
219.04987	0.7
219.36911	0.4
220.04872	0.4
221.13855	2.9
239.14792	1.2
259.09549	1.3
260.09958	0.6
265.16364	0.9
283.17395	0.9
298.05771	0.4
327.20093	0.6
335.44925	0.4
415.25137	0.7
459.27930	0.8
503.24658	0.6
503.30618	5.9
520.16779	0.4
520.34332	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	520.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31512	0.2
52.49914	0.2
55.05512	1.3
55.66270	0.2
56.05038	1.5
57.03428	0.6
57.07067	0.3
58.06587	1.8
58.48822	0.2
59.07397	0.6
60.08164	16.6
67.05503	4.0
69.07069	1.5
70.58135	0.2
71.06983	0.4
71.07375	7.3
73.52235	0.2
79.05482	1.3
80.97424	0.2
81.07051	2.9
81.94547	0.2
83.04978	0.2
83.08620	0.4
86.09705	50.9
87.10030	0.7
91.05470	0.7
91.52592	0.2
93.07024	1.1
95.08609	2.0
97.10153	0.2
98.22582	0.6
98.98463	4.8
99.80030	0.2
104.10741	92.5
105.06999	0.3
105.11075	1.2
107.08593	0.6
109.10136	0.9
119.08541	0.2
121.10114	0.3
125.00001	31.6
126.00359	0.2
133.10173	0.3
143.01056	0.2
147.04404	0.2
163.01524	0.6
163.11139	0.2
184.07338	100.0
185.07716	1.6
196.68336	0.2
229.45447	0.2
236.14912	0.8
247.23401	0.2
258.11075	1.2
259.81186	0.2
337.27264	0.9
502.32901	8.0
503.32953	0.6
520.33966	21.2
521.34253	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	520.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82080	0.4
53.70842	0.4
55.05506	1.7
56.05035	1.9
57.03440	0.8
57.07064	0.7
58.06598	1.5
60.08160	15.8
65.24286	0.4
67.05499	3.4
69.07062	1.7
69.68588	0.3
69.73264	1.9
71.07366	7.3
71.08655	0.7
79.05490	1.7
79.64330	0.4
81.07057	3.8
83.08622	0.7
86.09704	50.4
87.10042	1.1
91.05475	1.6
93.07034	1.1
95.08624	2.3
95.37007	0.4
98.98466	5.2
104.10741	100.0
105.07039	1.3
105.11082	1.7
107.08601	0.8
109.10156	1.1
119.08539	0.5
120.46229	0.4
121.10142	0.4
125.00002	26.5
163.01598	0.9
172.95180	0.5
179.02921	0.4
184.07336	96.3
185.07718	1.2
204.31973	0.4
209.11711	1.7
210.97780	0.4
219.06348	0.4
241.21953	0.4
258.11011	1.3
337.27170	0.9
409.55896	0.4
417.29715	8.7
418.29849	0.7
433.29214	22.4
434.29507	1.6
461.25021	0.7
502.32828	7.7
520.34650	30.6
521.21808	0.6
521.35199	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	521.1995
Annotation	Brusatol
Peak:m/z	Relative Intensity
50.49289	0.6
51.93318	0.7
56.96561	1.1
60.93901	0.7
62.74010	0.6
63.83591	0.6
69.03443	1.1
80.50033	0.6
83.04998	0.7
85.02920	0.8
92.81037	0.6
94.06572	4.0
97.02887	1.1
98.97598	1.1
99.04443	0.7
109.02859	0.6
110.97571	0.7
119.04932	0.5
127.00704	0.8
128.98589	0.6
131.04945	1.6
145.01733	1.0
147.04399	3.2
152.07120	0.8
159.04501	0.7
163.02701	0.8
170.99744	0.7
189.00723	2.2
195.11391	0.8
231.01669	0.7
269.10690	1.1
281.10696	0.8
282.04037	0.6
303.82959	0.6
341.12576	1.4
349.05267	6.9
401.14813	1.1
469.44977	0.7
521.19946	100.0
522.20258	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	521.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
54.31604	1.0
55.01870	3.5
55.05514	11.0
57.03443	5.5
57.07081	8.4
65.03944	1.7
67.05508	29.8
69.01972	6.2
69.02374	2.2
69.03431	32.6
69.07079	9.9
70.03766	1.5
71.01337	1.1
71.04987	1.9
73.02927	1.1
79.05486	11.0
80.65482	0.9
81.03426	8.8
81.07058	2.8
83.01331	1.0
83.04485	2.0
83.04984	36.4
85.02906	13.3
85.06544	47.9
87.04494	1.5
91.05486	2.3
93.07061	2.6
95.01319	1.2
95.04974	3.6
95.08615	2.0
97.02890	22.1
97.03512	1.2
97.06531	76.2
98.06849	3.8
99.04483	1.7
101.06009	1.9
105.07034	1.7
107.05005	1.4
107.08567	1.0
109.02853	2.4
109.10145	1.1
111.04445	1.5
113.02348	1.4
115.03931	14.2
117.03386	3.8
119.08579	1.1
123.04450	1.4
123.08079	1.1
125.02364	2.3
127.03945	4.9
131.04945	1.4
131.08621	1.3
133.02818	2.3
135.04451	5.6
141.07021	1.0
145.02844	4.2
149.05994	1.2
157.06625	1.0
159.04427	3.3
161.02348	11.2
161.04448	2.1
161.05815	1.2
163.02536	2.3
163.03906	44.9
164.04277	2.2
165.09079	1.5
173.02353	33.8
174.02777	1.8
185.05977	2.0
187.07539	2.0
191.03444	6.0
195.08121	1.2
197.06049	1.4
201.05557	1.4
215.04962	2.4
215.07036	44.9
216.07405	3.7
229.08751	1.7
233.08099	5.4
241.08583	3.0
259.09659	100.0
260.10013	9.1
261.10526	3.9
277.10703	2.2
301.10989	1.0
311.12589	1.1
313.14337	1.1
341.13910	1.8
359.15054	1.6
391.13834	15.6
403.13916	7.0
407.63718	1.0
419.13409	6.4
437.14523	7.5
449.14102	2.3
459.30569	1.3
475.30304	4.3
503.19089	9.6
503.29691	11.2
521.20013	44.3
521.30707	13.1
522.20465	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	521.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.7
55.05503	2.4
57.03434	2.1
57.07073	1.7
64.20895	0.6
67.05506	5.8
69.07063	2.7
75.58780	0.7
79.05504	3.8
81.07059	4.8
83.08626	1.7
89.03932	7.2
91.05492	2.2
93.07037	1.6
95.04928	1.0
95.08632	3.5
97.06526	1.4
103.03900	0.8
105.07044	2.1
107.08608	1.1
109.06545	1.0
109.10153	3.0
117.03389	21.7
117.06997	0.7
119.08622	1.6
121.10175	0.9
131.08640	1.3
134.03656	1.6
135.04404	1.8
135.88943	0.9
145.02858	49.1
145.10103	1.2
149.06017	4.9
163.03874	1.0
177.05484	100.0
178.05817	2.7
186.05446	1.5
293.21130	0.8
369.97845	0.8
421.65375	0.8
521.31067	9.4
521.38489	1.5
522.31427	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.7
53.03948	3.5
54.21375	0.4
55.01870	11.4
55.02123	0.8
55.05510	23.8
56.05825	0.4
57.03435	5.6
57.07076	55.8
59.05000	2.2
65.03943	1.8
67.05503	35.3
69.03425	1.3
69.07066	15.6
70.54135	0.9
71.01350	1.1
71.04997	3.9
71.08630	41.8
75.19099	0.4
77.03929	0.9
79.05492	30.5
81.02923	0.7
81.03054	0.4
81.03418	26.0
81.07055	43.9
82.07396	1.0
83.01343	6.6
83.04981	16.4
83.08617	25.7
85.02908	5.5
85.06529	1.9
85.10181	22.0
85.68349	0.4
91.05478	15.1
93.07043	27.1
94.07352	0.5
95.04965	8.7
95.08604	44.2
96.08945	0.6
97.02895	2.3
97.06521	5.6
97.07072	0.6
97.10170	12.2
99.04463	2.0
99.08096	0.9
99.11745	2.3
103.05470	1.3
105.04545	1.3
105.07029	9.2
105.07673	0.7
107.04955	28.6
107.08594	13.1
109.06515	5.9
109.10153	19.8
109.10903	0.9
111.04436	6.0
111.08079	2.9
111.11723	2.8
113.05989	0.6
113.13330	0.7
115.05444	1.2
116.06320	0.5
117.07008	9.5
117.07833	0.6
119.08579	8.7
121.06502	3.4
121.10145	8.5
123.08078	8.4
123.08929	0.7
123.11695	9.2
125.05989	2.2
125.09668	1.7
125.13274	1.8
129.07007	2.1
130.07768	2.0
131.04947	1.7
131.08574	4.2
133.10146	2.1
135.04364	0.4
135.08064	1.6
135.11688	16.5
135.12675	0.8
137.09639	1.5
137.13225	3.8
139.07521	0.9
139.14792	0.7
141.16423	0.6
143.08603	0.9
145.06496	1.1
145.10123	17.5
147.08014	2.9
147.11713	0.7
149.06017	0.5
149.09625	1.5
151.14864	1.2
153.12737	15.1
155.08575	1.6
163.11177	34.5
164.11574	0.9
165.09207	0.5
165.16466	1.1
173.09613	6.4
178.67708	0.4
181.12234	10.1
182.12514	0.5
191.10670	10.8
209.11731	10.4
221.22588	2.1
227.12758	13.6
239.23685	14.5
240.24005	0.6
247.13319	0.6
265.14334	12.9
283.15549	0.9
286.36588	0.4
294.45850	0.4
309.89499	0.4
313.27347	16.6
314.27942	0.8
503.37320	4.8
521.38361	100.0
522.38715	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	521.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.7
55.01874	10.4
55.05514	33.9
56.05849	0.9
57.03441	5.4
57.07077	63.5
57.09247	0.5
58.07418	0.9
59.04996	3.2
65.03944	2.2
67.05505	37.5
68.05854	0.8
69.03429	1.6
69.07066	19.7
70.07402	0.7
70.62746	0.5
71.01363	2.2
71.04999	5.6
71.08633	44.6
77.03935	0.8
79.05494	30.7
80.05809	0.6
81.03075	0.3
81.03423	15.1
81.07059	53.9
82.07388	1.5
83.01349	8.5
83.04984	15.5
83.08622	31.2
84.08960	1.1
85.02901	3.6
85.06548	2.3
85.10183	25.9
91.05482	21.7
92.05814	0.7
93.07045	32.1
95.04976	9.3
95.08609	47.5
96.08968	0.7
97.02914	2.5
97.06546	6.1
97.10171	12.4
98.10534	0.6
98.23370	1.5
99.04485	2.4
99.08108	1.0
99.11722	1.7
103.05515	1.7
105.04473	0.8
105.07038	13.5
107.04950	10.6
107.08595	14.2
109.06525	7.0
109.10155	21.3
111.04440	4.0
111.08098	2.4
111.11710	3.3
115.05477	0.9
117.07014	9.9
118.77818	0.6
119.08591	10.4
121.06499	3.9
121.10136	9.7
123.04475	0.7
123.08075	10.4
123.11705	10.2
123.12545	0.6
125.06022	1.9
125.09637	1.1
125.13268	2.1
128.06244	0.7
129.07010	1.6
129.35899	0.6
130.07809	2.3
131.04924	0.6
131.08568	4.5
133.10168	2.6
135.08032	2.8
135.11684	15.1
136.12021	0.8
137.09645	1.9
137.13240	4.2
139.07593	0.7
141.58502	0.5
143.08595	1.3
145.06470	1.3
145.10118	18.4
147.08083	2.4
147.11716	1.2
149.09657	0.6
151.14850	1.9
153.12726	2.8
155.08548	2.0
163.11183	34.8
164.11507	0.8
165.09154	0.8
165.16454	1.1
173.09619	5.2
181.12210	5.4
191.10680	5.6
192.16299	0.6
193.12381	0.8
196.47453	0.5
209.11719	13.1
211.13292	0.9
221.22627	1.5
227.12828	5.1
239.23712	13.4
265.14566	0.7
266.01242	0.6
267.16000	1.2
313.27460	0.6
347.80640	0.6
411.96552	0.6
518.13373	0.6
521.38373	100.0
522.38593	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	521.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01623	0.8
53.03939	3.1
54.22546	0.6
55.01871	8.4
55.05511	25.6
57.03436	4.3
57.07075	58.2
58.07393	0.9
59.04998	2.0
65.03939	2.2
67.05502	32.4
69.07066	16.4
71.01355	1.5
71.04991	4.6
71.08630	34.9
71.69770	0.7
79.05490	22.3
80.05828	0.7
81.03419	12.2
81.03861	1.1
81.07054	39.1
83.01338	7.6
83.04974	11.0
83.08617	28.2
83.09122	1.3
85.02908	3.0
85.06542	1.2
85.10181	21.2
91.05485	16.1
93.07041	24.7
93.07629	1.3
94.07400	0.9
95.04973	7.4
95.08601	39.6
97.02911	2.2
97.06511	4.5
97.10161	10.5
99.04448	2.1
99.08092	1.0
99.11733	2.0
103.05424	0.9
105.04498	0.8
105.07016	10.0
106.19721	0.6
107.04962	10.1
107.08593	11.5
109.06520	5.5
109.10155	18.6
111.04437	2.5
111.08092	2.6
111.11732	2.1
113.13268	0.9
115.20098	0.6
117.07018	8.9
119.08578	8.7
121.06528	2.6
121.10134	8.8
123.08084	8.3
123.11707	7.4
125.06009	2.2
125.09592	1.5
125.13271	1.7
128.06326	0.8
129.06996	1.6
130.07741	1.4
131.08551	4.1
133.10162	2.0
135.08093	2.8
135.11681	13.6
137.09656	1.6
137.13271	4.3
141.80255	0.7
145.06483	1.0
145.10117	14.3
147.08052	2.5
149.06059	0.6
149.09607	1.3
149.68724	0.6
151.11156	0.7
151.14876	1.6
153.12761	2.9
155.04559	0.6
155.08551	1.3
163.11172	32.1
164.11505	1.3
165.16336	1.3
173.09645	3.0
181.12267	3.4
191.10640	4.5
201.21829	0.9
209.11728	11.2
221.22649	2.1
227.12791	4.9
239.23695	11.6
265.14459	1.0
313.27600	0.9
521.38348	100.0
522.38654	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	521.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04792	5.7
53.03962	7.8
55.01867	11.9
55.05505	38.6
55.84010	5.7
57.03426	17.1
57.07080	88.9
60.50617	5.7
67.05505	85.3
69.07072	37.6
69.17618	46.9
71.04984	7.7
71.08630	59.5
71.37867	5.0
71.69177	5.7
79.05494	71.1
79.05931	10.1
80.05847	5.8
81.03415	37.1
81.07048	86.3
83.04978	22.0
83.08620	46.5
85.10180	38.5
91.05465	44.7
93.07041	55.8
95.04964	24.9
95.08617	66.3
97.06507	16.0
97.10155	18.9
102.03028	5.8
105.04561	6.2
105.07044	27.4
107.04952	36.7
107.08598	31.8
109.06509	12.6
109.10137	31.4
111.63613	5.0
117.07024	32.3
119.08571	22.8
121.10142	20.2
123.08086	13.5
123.11680	12.2
129.06999	7.6
131.08557	24.6
133.10126	6.6
135.11670	28.3
137.07390	5.0
145.06541	9.2
145.10133	49.4
147.08032	7.6
148.65926	6.2
153.12801	5.8
163.11192	85.8
173.09625	22.2
179.11516	5.6
181.12132	9.9
186.92981	5.8
191.10698	21.1
197.77139	5.4
209.11774	16.4
211.13402	6.6
225.04289	10.4
227.12881	10.0
239.23720	13.5
265.14362	35.0
299.06046	14.0
313.27286	56.9
354.95151	6.2
503.37161	13.6
521.38208	100.0
522.38727	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	522.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.01877	0.6
57.03449	0.8
58.61946	0.4
61.02940	0.5
63.26471	0.4
64.84911	0.5
69.03419	2.4
69.07047	0.5
69.28211	1.5
69.28638	1.6
70.06591	0.8
71.04988	0.4
72.20703	0.4
79.05503	1.1
81.03407	1.6
83.04981	0.8
85.02903	7.0
85.60249	0.4
86.06044	0.6
87.04460	0.4
89.03909	4.0
91.05513	0.5
95.04927	0.5
97.02916	2.6
98.97550	0.6
99.04467	0.7
107.04962	2.2
109.02854	1.2
110.06062	1.0
117.03382	5.6
119.04978	0.5
124.07612	0.6
127.03931	2.1
131.04953	0.6
135.04416	14.6
139.03882	0.7
141.83920	0.4
145.02840	11.7
145.04875	2.5
146.03154	0.5
147.04437	0.5
151.35837	0.5
152.07014	0.5
163.03906	100.0
164.04214	2.6
180.06445	0.6
181.04958	40.8
182.05435	1.3
196.87694	0.4
242.07668	0.5
289.07181	0.6
325.09229	0.8
374.13550	0.4
504.24203	1.8
522.15540	4.8
522.22083	0.4
523.49664	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	19.5
56.05034	14.7
57.07084	12.1
60.00727	7.2
66.74375	8.7
67.05497	32.3
69.03428	26.9
69.07073	20.3
70.29767	22.7
71.05005	28.4
76.88528	7.3
77.33430	6.8
79.05493	29.6
81.03415	9.0
81.07063	100.0
83.04981	32.2
85.02914	28.9
85.06548	24.2
87.00874	7.7
91.05468	27.5
93.07021	39.7
95.08606	34.9
97.02898	25.7
97.06532	41.0
98.06052	17.9
105.01850	19.0
105.07024	45.2
107.08611	54.0
109.02879	10.1
109.10169	47.4
119.08573	71.4
123.11749	22.1
127.03943	15.1
127.11204	26.2
133.10126	39.0
135.11641	90.3
147.11687	25.9
153.12663	9.8
161.13310	14.6
163.03915	9.5
165.09119	11.3
173.02403	13.4
203.17972	54.4
215.07045	9.0
221.19041	37.1
250.08957	9.2
259.09711	33.3
260.09970	13.7
359.29095	14.0
360.29422	36.8
522.20294	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	522.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	19.5
56.05034	14.7
57.07084	12.1
60.00727	7.2
66.74375	8.7
67.05497	32.3
69.03428	26.9
69.07073	20.3
70.29767	22.7
71.05005	28.4
76.88528	7.3
77.33430	6.8
79.05493	29.6
81.03415	9.0
81.07063	100.0
83.04981	32.2
85.02914	28.9
85.06548	24.2
87.00874	7.7
91.05468	27.5
93.07021	39.7
95.08606	34.9
97.02898	25.7
97.06532	41.0
98.06052	17.9
105.01850	19.0
105.07024	45.2
107.08611	54.0
109.02879	10.1
109.10169	47.4
119.08573	71.4
123.11749	22.1
127.03943	15.1
127.11204	26.2
133.10126	39.0
135.11641	90.3
147.11687	25.9
153.12663	9.8
161.13310	14.6
163.03915	9.5
165.09119	11.3
173.02403	13.4
203.17972	54.4
215.07045	9.0
221.19041	37.1
250.08957	9.2
259.09711	33.3
260.09970	13.7
359.29095	14.0
360.29422	36.8
522.20294	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	522.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	13.1
55.05517	23.3
57.07062	15.0
67.05505	43.3
69.03431	54.1
69.07070	16.7
71.05017	9.4
71.30459	10.6
79.05485	22.3
80.05025	32.4
81.03417	23.4
81.07060	31.0
83.04992	61.1
84.05317	12.0
85.02906	24.9
85.06551	81.0
86.06873	12.0
91.05469	7.9
93.07032	20.1
94.06551	9.2
95.08622	23.5
97.02898	41.8
97.06538	75.9
98.06880	25.1
105.07030	9.3
107.08605	21.1
109.10148	14.7
115.03951	19.1
119.08575	10.3
121.10159	14.5
133.10156	9.1
135.11644	8.6
147.04433	10.7
149.88913	6.6
152.10695	12.8
161.02365	12.6
161.13307	8.9
162.02664	10.6
163.03894	53.8
163.11156	8.2
164.00632	8.8
164.04268	18.7
173.02391	26.5
174.02702	18.8
180.10205	100.0
194.02725	29.5
215.07045	31.2
216.07430	24.0
257.07675	8.6
259.09631	69.0
260.10022	86.7
290.92145	8.3
348.93265	7.9
392.14114	14.2
438.14423	12.0
479.22061	9.6
504.18973	15.2
522.20398	67.5
522.30658	8.6
543.87280	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	522.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84453	13.9
55.05506	19.7
57.07080	15.6
61.59948	11.3
63.63513	11.8
67.05509	38.5
69.03417	35.5
69.05766	100.0
69.07063	13.2
71.04966	14.8
71.16515	11.9
79.05480	27.8
80.05792	11.0
81.07052	63.2
83.04976	32.7
83.08617	14.9
85.02892	33.5
85.06545	40.6
90.20755	12.7
91.05482	20.2
93.07035	48.0
97.02892	18.2
97.06528	73.3
98.06857	14.6
98.22570	22.0
105.07059	40.8
107.08594	52.6
109.10122	24.8
119.08591	26.7
121.10092	22.9
125.09615	15.4
127.03968	18.7
133.10144	41.8
134.10445	14.8
135.11731	33.1
163.03943	24.0
164.04254	15.3
167.14299	24.5
168.14670	18.2
203.17946	30.9
215.06963	24.1
216.07387	16.3
218.72838	13.8
221.19080	30.5
227.22491	14.5
252.12827	12.3
259.09689	41.1
260.09952	66.0
366.83939	12.8
504.19885	18.0
522.20306	39.4
537.90576	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	522.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.3
56.05035	0.6
57.00724	0.1
57.03441	0.1
57.07078	0.2
58.06625	0.5
59.07403	0.2
60.08165	6.5
67.05508	0.3
69.05822	0.7
69.07076	0.5
71.07375	3.1
71.08595	0.1
79.05506	0.3
81.07059	0.3
83.08606	0.3
86.09706	29.1
87.10042	0.5
88.13674	0.1
91.05470	0.1
93.07022	0.3
95.08594	0.1
96.73782	0.1
98.98465	3.2
98.99123	0.2
104.10745	3.0
107.08617	0.1
109.10161	0.1
120.32222	0.1
121.10133	0.2
125.00005	20.3
133.89665	0.1
138.69202	0.1
143.01076	0.2
163.01628	0.1
184.07343	100.0
185.07706	1.3
209.11742	0.2
236.14861	0.4
258.11026	0.3
264.66058	0.1
339.28912	0.2
504.34464	0.7
522.35913	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02911	0.3
55.05506	1.9
56.05033	1.2
57.03433	0.7
57.07069	0.4
58.06353	0.3
58.06579	1.5
60.08163	16.7
67.05498	1.4
69.07074	1.6
69.38430	1.3
71.07375	7.0
71.08611	0.3
78.38043	0.3
79.05501	0.6
81.07050	1.4
83.08623	1.3
86.09703	49.8
87.10027	0.6
91.90507	0.3
93.07066	0.9
94.00651	0.3
95.08590	1.5
96.74046	0.3
97.10184	0.6
98.98461	4.6
103.79898	0.3
104.10741	93.6
105.11086	1.0
107.08597	0.5
109.10149	0.5
111.11743	0.4
121.10153	0.7
124.99998	28.9
135.28542	0.3
149.13339	0.3
157.21188	0.3
184.07336	100.0
185.07701	1.5
206.15379	0.3
215.42270	0.3
258.11023	1.6
339.29114	1.2
407.04501	0.3
504.34406	8.5
505.34415	0.7
522.35522	21.0
523.35699	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22496	1.5
54.18354	1.7
55.05507	4.7
57.07081	9.7
67.05505	8.6
69.07063	4.5
71.08636	5.9
71.28880	2.4
79.05503	5.4
81.03432	5.8
81.07058	10.4
83.04998	2.6
83.08611	5.6
85.02928	1.9
85.10181	4.7
86.09700	2.3
91.05490	5.1
93.07056	4.6
95.04990	3.3
95.08607	7.7
97.10180	1.9
104.10744	1.8
105.07027	3.7
107.04895	1.7
107.08605	2.6
109.10183	4.9
111.08131	1.8
116.01074	1.5
119.08596	2.4
121.10143	2.9
123.11739	1.7
129.07048	1.5
152.05717	2.6
163.11101	2.3
174.14989	1.7
177.05573	2.8
184.07376	7.5
193.12372	4.3
211.13312	5.6
219.07997	1.7
239.23625	1.8
302.71167	1.7
419.31287	24.7
435.30817	100.0
436.31204	6.8
440.31189	1.9
463.30197	2.0
522.37769	81.7
523.23438	2.9
523.39447	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	522.379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58516	0.3
53.03920	0.6
55.01858	0.3
55.05485	1.2
55.25952	0.3
57.03439	7.1
57.07040	0.3
57.59467	0.3
58.06602	31.7
59.06914	0.5
59.07380	9.9
60.08167	10.9
60.30645	0.3
65.13010	0.3
67.05502	3.9
67.45847	0.3
69.07069	1.4
72.99976	0.3
73.02894	0.9
74.95064	0.3
75.04487	3.6
79.05492	3.4
81.07072	2.5
83.08037	0.3
84.08116	0.7
84.43388	0.5
85.02907	1.8
87.04004	0.5
87.04469	5.5
91.04989	0.4
91.05485	5.2
92.72828	0.3
93.05496	0.4
93.07026	2.5
95.04945	0.6
95.08620	1.6
97.06489	0.6
100.11236	0.4
102.05527	0.6
102.09229	0.3
103.03928	0.8
105.05469	1.2
105.07032	2.3
107.08567	1.0
109.10146	0.5
113.06000	0.4
117.06993	0.3
118.01176	0.3
119.08546	1.1
121.10167	0.6
129.05467	0.3
131.07059	2.5
131.08510	0.7
133.10083	0.8
143.08554	0.3
144.10199	7.6
159.06577	0.5
160.79141	0.3
162.11270	4.3
163.65038	0.3
200.12791	0.6
211.23924	0.3
218.13919	0.7
236.14920	100.0
237.15302	2.4
246.77814	0.3
311.80585	0.3
400.89551	0.3
400.94855	0.3
449.20840	0.3
460.37521	0.6
504.36832	22.8
505.37375	1.7
522.37903	66.2
523.38141	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	523.233
Annotation	Tiegusanin C
Peak:m/z	Relative Intensity
51.02384	2.0
53.03957	10.9
55.05520	3.1
61.73875	1.3
65.39265	1.5
67.05508	5.0
69.07076	2.3
69.31987	1.4
69.74507	5.1
69.74925	2.8
70.15160	1.6
74.69036	1.5
77.28696	1.6
79.05508	5.3
81.03391	1.4
81.07066	3.8
91.05478	3.6
93.07021	2.0
95.04980	10.5
101.19640	1.4
105.03397	100.0
105.04533	3.9
106.03696	2.3
109.10154	1.8
119.08588	1.9
121.10130	2.6
145.10162	1.9
254.74881	1.6
309.14697	1.6
316.14862	1.5
318.11050	2.5
323.12866	4.4
327.12283	2.6
332.12338	1.8
337.14374	5.1
341.17575	2.6
355.15271	2.1
369.17050	5.5
370.17722	6.3
401.19598	6.7
415.20239	1.6
440.14981	1.6
440.39368	1.7
473.19897	1.8
474.20288	4.0
474.69339	1.6
505.22220	19.3
524.80780	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.3
55.01863	2.1
55.05508	17.8
57.03433	6.7
57.07076	46.2
65.03946	2.0
67.05506	33.5
69.03436	2.5
69.07063	13.1
71.04980	3.8
71.08235	1.5
71.08633	31.3
79.05103	0.5
79.05490	20.0
81.03418	37.8
81.07053	36.5
83.04984	8.8
83.08617	28.6
85.02905	21.1
85.06540	1.6
85.10187	17.5
91.05479	24.3
93.07047	12.8
95.04974	17.0
95.05564	1.6
95.08603	32.2
97.02908	1.9
97.06524	2.6
97.10175	7.8
98.22639	1.8
99.08099	0.9
99.11745	1.1
105.07020	15.1
105.07665	0.9
107.04968	3.7
107.08579	5.8
109.06536	2.2
109.10162	15.2
109.10913	0.9
111.04467	2.2
111.08091	8.7
111.11714	1.9
113.06045	1.5
115.05478	1.3
117.07030	1.4
119.08577	13.7
121.06511	0.9
121.10137	7.1
123.04766	0.9
123.08073	1.5
123.11701	6.3
125.09594	1.3
125.13278	1.1
127.82310	0.7
129.07010	8.8
131.08568	7.2
133.06520	2.1
133.10126	6.6
135.11656	1.0
137.09663	1.9
137.13289	2.3
142.07782	1.5
142.19789	0.7
145.10098	1.4
147.08087	1.8
147.11679	12.8
147.12761	1.1
149.09602	5.1
151.14789	1.3
157.10135	9.6
163.11243	1.0
165.12766	2.5
172.95280	2.0
174.79361	0.7
175.11180	12.9
193.12239	48.8
194.12648	1.5
201.59677	0.7
210.97743	2.0
211.13295	47.3
212.13734	1.3
221.22781	0.8
229.14432	0.9
239.23695	8.2
267.15939	6.3
285.17041	0.9
313.27347	10.3
420.31754	1.7
436.31116	4.6
505.38806	2.9
515.82782	0.8
523.39899	100.0
524.40295	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	523.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.7
55.01878	4.0
55.05513	18.8
57.03439	16.0
57.06795	3.4
57.07077	55.7
65.03947	1.9
67.05502	34.0
68.05845	2.7
69.07069	15.4
71.04984	4.3
71.08633	34.8
72.89888	2.3
76.70727	1.9
79.05498	22.2
81.03419	100.0
81.07056	42.8
83.04990	8.9
83.08623	35.8
83.20645	1.8
85.02905	5.9
85.10187	20.5
91.05479	23.2
93.07040	13.5
95.04972	29.7
95.08609	38.2
96.08961	3.1
97.02888	4.2
97.06522	4.3
97.10149	12.1
103.24428	2.0
105.07034	19.0
107.04974	5.2
107.08593	8.8
109.06520	5.2
109.10152	15.1
111.08102	8.6
117.07047	3.6
119.08590	16.4
121.06485	2.8
121.10172	9.0
121.33720	1.9
122.10469	2.0
123.11729	5.5
125.13271	2.0
129.07040	7.7
131.08592	7.3
133.06630	2.4
133.10149	6.7
135.11720	2.9
137.13223	3.3
142.07695	2.2
147.07977	3.1
147.11707	12.9
149.09634	4.6
157.10139	9.4
163.11317	3.5
175.11198	11.5
193.12253	53.1
193.14012	2.6
211.13290	22.6
239.23724	6.9
249.14920	4.0
267.15921	81.2
268.16229	2.9
313.27344	81.4
313.31000	4.1
314.27692	4.7
464.55203	2.1
505.31763	2.7
505.38898	42.3
506.39288	4.4
523.39722	45.7
524.40338	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	523.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31960	0.7
51.02377	0.8
53.03941	3.3
55.01869	2.1
55.05241	1.0
55.05511	22.3
57.03440	7.8
57.07076	58.2
58.07404	1.6
59.05019	0.9
65.03939	2.2
67.05504	38.5
69.03426	3.4
69.07065	15.3
70.25478	0.7
71.04995	6.7
71.08630	38.3
72.08952	0.8
79.05491	22.8
81.03416	53.3
81.07056	47.7
81.07445	0.8
82.07398	1.5
82.95732	0.6
83.04987	8.5
83.08617	36.7
84.08944	1.0
85.02905	27.6
85.06542	2.6
85.10182	20.8
91.05479	28.4
93.07043	15.5
95.04969	24.7
95.08606	39.9
96.08941	1.0
97.02906	1.4
97.06514	3.0
97.10172	11.5
99.08117	1.2
99.11738	1.6
103.05479	1.0
105.07030	18.6
107.04963	4.1
107.08585	6.5
108.25301	0.7
109.06510	3.8
109.10153	20.1
111.04436	2.4
111.08074	9.4
111.11713	1.5
113.05984	2.5
115.05440	1.4
117.06995	2.1
119.04871	0.9
119.08583	16.4
121.06527	1.5
121.10136	9.1
123.08072	1.8
123.11715	9.2
125.09625	1.4
128.06233	0.8
129.06998	8.5
131.08549	10.3
133.06499	2.5
133.10114	8.7
135.11705	1.5
137.09639	1.5
137.13255	2.9
142.07770	2.5
145.10205	1.6
145.70862	0.7
147.08047	2.5
147.11679	13.8
147.12759	1.1
149.09621	5.4
151.11171	1.5
151.14874	0.8
157.10133	11.3
163.11194	1.5
165.12807	2.0
175.11192	13.1
176.11484	0.8
181.62320	0.7
193.12238	57.0
194.12555	1.0
194.90694	0.7
207.23248	0.7
211.13298	54.7
212.13557	1.7
239.23734	9.2
249.14948	1.1
267.15930	7.9
301.43683	0.7
313.27347	7.2
351.33716	0.7
441.06729	0.8
499.48325	0.7
505.38651	3.4
523.39911	100.0
524.40326	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	523.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.4
55.01868	4.2
55.05511	27.7
57.03439	16.5
57.07076	67.2
58.07407	2.4
60.37166	1.3
61.05136	1.2
65.03946	2.4
67.05505	43.3
68.05822	2.1
69.03421	1.7
69.07067	23.8
69.07426	2.5
69.07831	10.9
69.08238	3.1
71.04989	11.1
71.08630	47.3
72.08974	2.5
77.44496	1.4
78.59285	1.2
79.05493	24.8
81.03416	100.0
81.07053	46.4
82.03745	3.0
82.07370	2.6
83.04978	9.5
83.08616	42.2
83.09117	2.5
85.02899	16.4
85.06525	4.4
85.10179	27.8
86.10507	1.6
91.05476	27.9
93.07042	20.3
94.07387	1.9
95.04968	29.7
95.08601	45.6
96.08938	2.5
97.02898	3.2
97.06539	5.4
97.10155	12.3
97.52394	1.5
98.22626	2.9
99.08092	2.2
99.11700	1.5
105.07029	19.3
106.07341	1.4
107.04981	7.8
107.08593	6.2
107.10705	1.3
107.11500	1.2
109.06517	4.7
109.10149	25.6
109.76867	1.6
110.10442	1.9
111.04428	2.8
111.08074	11.4
111.11724	3.7
115.05492	1.4
117.07006	3.4
119.08574	19.6
121.06523	2.5
121.10157	8.2
121.10937	1.5
123.08070	3.1
123.11667	9.5
124.11204	1.6
129.06985	11.7
131.08542	9.0
133.06520	3.2
133.10136	7.8
135.11693	5.1
136.12068	1.6
137.09615	5.0
137.13249	2.3
142.07794	4.4
145.10139	3.4
147.08112	2.1
147.11685	14.3
149.09624	7.6
157.10110	11.9
163.11215	4.7
164.11545	1.4
165.12846	2.8
175.11200	14.2
179.80997	1.2
181.12222	1.5
193.12239	54.0
194.12621	3.1
211.13297	31.6
239.23718	9.0
249.14934	4.9
267.15903	56.1
268.16309	2.3
286.19580	1.4
313.27341	52.9
314.27933	2.8
427.78818	1.5
479.37372	3.6
505.38867	28.3
506.38995	2.4
523.39807	75.1
524.40289	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	523.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	7.2
55.05511	21.1
57.03434	11.4
57.07079	44.7
67.05502	59.0
67.23804	5.0
69.07067	27.4
71.04998	6.2
71.08624	32.0
79.05489	53.4
81.03422	34.0
81.07056	54.4
83.04980	25.0
83.08617	16.9
85.02920	8.3
85.10194	17.6
91.05486	83.3
93.07039	38.6
95.04988	18.1
95.08604	39.8
97.10178	5.8
98.22621	10.0
105.07029	45.4
107.04979	15.5
107.08601	12.2
107.85931	5.2
109.06506	6.7
109.10162	11.9
119.08593	22.3
121.10116	8.2
129.07007	15.1
131.08588	25.4
133.10123	34.1
147.11703	20.5
149.09702	5.6
157.10153	24.0
159.33517	6.1
175.11232	19.3
193.12241	28.7
267.15903	100.0
313.27356	54.7
344.42896	5.8
505.38779	46.7
506.39163	7.9
523.39703	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	523.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58986	11.5
55.05511	19.5
57.07071	69.9
64.47976	11.7
67.05502	47.3
69.07072	23.1
70.05806	10.5
71.08634	47.9
73.67259	12.0
79.05488	61.4
81.03428	21.9
81.07067	63.3
83.04971	35.4
83.08626	27.4
85.10182	22.1
89.04485	13.8
91.05481	69.2
93.07057	50.9
95.08604	42.5
98.22636	46.9
105.07043	35.1
107.04949	29.1
107.08561	11.9
109.06503	14.4
109.10134	23.0
117.10277	10.5
119.08600	41.1
121.10159	17.6
123.11742	17.4
129.06995	14.9
131.08604	26.2
131.94469	11.6
133.10175	33.0
136.96480	11.7
147.11691	24.9
157.10167	20.3
163.11180	11.9
175.11127	17.8
193.12245	35.6
211.13429	15.7
229.21629	13.3
267.15891	85.9
313.27353	76.7
383.77286	13.2
505.38669	100.0
523.39465	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	523.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.2
55.01871	2.5
55.05510	23.6
57.03442	7.9
57.07076	50.5
58.91349	1.2
61.43388	1.2
63.21182	1.2
65.03928	2.9
67.05505	47.4
69.03432	2.8
69.07070	20.4
70.33642	1.1
71.04993	8.4
71.08633	36.1
71.29700	1.2
73.55878	1.1
79.05496	28.0
81.02930	2.3
81.03416	45.0
81.07055	47.6
82.07399	2.4
83.04974	12.3
83.08617	35.2
85.02902	23.6
85.06555	3.5
85.10184	20.9
87.04460	1.3
91.05482	28.5
93.07048	20.0
95.04967	17.9
95.08605	41.7
96.08904	1.9
97.06535	3.7
97.10167	11.1
99.08070	2.7
99.11708	1.5
105.07031	21.6
106.97034	1.2
107.04960	5.6
107.08587	8.0
109.06528	2.8
109.10154	24.8
111.04442	3.5
111.08096	8.8
111.11732	2.7
113.06037	2.7
115.05476	1.4
117.07019	2.1
119.08586	14.9
121.06490	1.8
121.10144	10.4
123.11706	7.8
124.34480	1.2
129.07016	7.9
129.07880	1.3
131.08572	10.1
133.06505	2.7
133.10109	7.5
135.11702	4.0
137.09608	3.8
137.13277	4.1
142.07770	2.2
145.10146	4.0
147.08029	2.6
147.11707	9.8
149.09645	3.0
151.14854	1.9
156.39494	1.6
157.10109	9.7
163.11201	1.6
165.12817	3.2
175.11186	14.7
193.12239	51.4
211.13286	54.9
212.13612	2.9
221.22705	2.1
239.23685	8.3
267.15958	9.9
313.27359	11.1
437.32587	2.0
479.37277	2.1
505.38986	10.2
523.39911	100.0
524.40015	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	524.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
54.75710	0.8
55.01871	2.4
55.05507	1.1
56.39364	0.7
57.03437	44.2
59.04992	1.1
60.04515	1.5
61.02925	15.2
67.05497	1.1
69.03428	42.9
70.56523	1.5
71.01357	5.0
71.04992	1.8
72.04516	1.4
73.02916	100.0
79.05474	0.8
81.03404	5.1
81.07088	1.1
83.05000	0.9
85.02902	77.1
86.03247	1.1
87.04479	4.3
89.08895	0.7
90.31269	0.7
91.03946	3.7
91.05495	1.1
92.34245	0.7
93.07023	0.9
94.35484	0.7
95.04984	1.1
95.08621	1.2
96.04473	2.1
97.02889	65.1
97.06511	1.0
97.11750	0.8
98.03209	1.1
98.06029	0.9
99.04452	3.4
103.03941	1.1
109.02870	6.5
111.04393	0.9
115.03927	57.7
116.04277	1.0
125.01550	12.5
125.02431	1.2
126.05489	0.9
127.03912	24.0
132.06572	1.3
133.04965	16.4
144.06551	8.7
145.04948	37.6
150.07637	8.2
162.07623	7.5
163.05998	9.4
167.06232	17.0
180.08656	9.0
193.05009	1.6
213.06732	5.5
223.06018	4.8
241.07033	4.9
259.08148	3.1
276.10596	1.2
294.11832	2.8
295.10126	1.4
312.12924	1.7
345.38721	0.8
357.10873	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	524.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35771	1.2
53.03939	2.8
54.60275	1.1
55.01872	19.4
55.05498	2.5
57.03431	7.2
59.33649	1.1
64.67242	1.3
65.03923	2.7
67.05509	40.3
68.98480	3.7
68.98897	9.5
68.99788	2.9
69.03432	38.3
69.07062	1.2
70.45393	1.1
71.01351	3.9
73.02912	4.3
78.04642	1.3
79.05489	4.5
81.03425	2.9
81.07056	7.7
83.05000	2.8
83.06622	1.2
85.02906	43.4
85.06535	2.1
87.00830	45.3
87.04454	5.2
91.05489	2.8
93.07043	1.9
95.04947	1.7
95.08590	1.8
97.02893	84.6
97.06525	3.4
105.01862	22.8
107.08574	3.1
109.02873	2.7
109.10152	31.2
110.10441	1.8
113.02372	1.7
115.03931	100.0
119.08527	1.5
120.73885	1.2
123.08032	1.5
127.03951	5.2
131.08707	1.3
133.10120	1.4
137.09596	2.5
145.04877	1.3
146.14790	1.3
147.04410	2.7
159.02982	1.5
165.09143	14.9
166.09488	4.9
171.02914	3.0
173.02374	1.5
183.02971	1.7
185.05962	1.4
201.03946	64.5
205.12151	1.5
219.04996	67.7
220.05267	1.6
223.06007	3.9
241.07024	1.8
295.26208	1.4
295.65503	1.4
320.98996	1.7
365.78143	1.5
505.73627	1.4
524.22729	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	7.9
55.05508	26.4
57.03448	9.7
67.05512	56.9
69.07076	16.7
71.01360	7.3
71.29152	14.2
79.05502	62.4
81.03412	11.9
81.07059	47.6
83.04973	14.8
83.08629	10.2
91.05486	43.2
93.07048	66.1
95.04986	15.2
95.08626	29.9
105.07028	41.8
107.04975	9.6
107.08600	30.2
109.10174	9.4
117.06996	14.0
119.08604	21.4
121.10153	8.4
123.08110	12.8
129.07022	15.0
131.08568	8.5
133.10121	10.3
135.11703	14.6
143.08598	20.6
145.10112	20.1
147.11708	18.4
151.81638	8.0
155.08591	17.9
163.11205	12.9
171.11684	16.3
181.10248	11.3
189.12726	12.7
190.63106	8.9
207.11749	11.9
207.13718	17.4
208.12112	9.1
229.24809	8.6
255.16048	12.7
281.17447	39.4
283.15463	39.7
309.17126	8.4
444.66568	8.7
450.30682	18.6
489.28461	100.0
524.34668	48.2
525.28314	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	524.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.01858	0.5
55.05505	1.2
56.76421	0.3
57.03436	0.6
57.07069	0.4
59.53597	0.3
67.05503	3.7
69.03415	1.0
69.07066	1.1
69.41931	2.1
79.05499	1.0
80.05021	0.4
81.03400	0.7
81.07063	3.1
83.04980	1.4
83.08618	0.3
85.02908	0.6
85.06541	1.1
91.05482	1.6
93.07043	1.4
95.04937	0.8
95.08618	3.3
97.02886	0.8
97.06532	2.0
97.10137	0.4
98.06844	0.4
98.22639	0.5
99.04453	0.7
105.06996	0.9
107.08592	1.1
109.02860	0.4
109.10156	4.9
111.04428	0.4
111.08077	0.7
113.05991	0.3
113.09633	0.5
117.07014	0.5
119.08585	2.9
121.06486	0.6
121.10133	0.9
122.07285	1.4
123.08088	0.5
123.11697	1.1
125.09632	0.4
127.03886	0.5
131.08549	0.6
133.10103	0.5
135.08026	0.5
137.09621	10.1
137.10695	0.5
138.09940	0.4
141.09079	0.7
145.10152	0.3
147.04445	0.5
147.08008	0.3
149.09613	0.6
151.07510	0.9
151.11093	0.4
157.08553	0.3
159.11691	0.4
163.03931	1.0
165.09114	100.0
166.09444	2.3
170.68852	0.3
173.02322	0.9
175.11140	0.4
179.14302	0.5
180.10228	0.9
181.10498	0.6
187.09631	0.9
193.12137	0.5
205.12225	0.5
209.11810	0.4
215.07092	0.6
248.60823	0.3
259.09634	0.8
259.20544	0.7
260.10065	0.6
289.05304	0.4
291.23169	1.0
319.22678	0.5
337.23697	4.6
425.30264	0.4
443.31537	0.7
471.30988	0.4
481.23798	0.9
489.31921	1.4
506.31638	0.7
507.22009	0.6
524.21667	0.8
525.22729	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	524.3713
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
52.07036	0.2
52.61251	0.2
55.05502	0.7
56.05037	1.3
57.03423	0.5
57.07071	2.9
58.06572	1.4
59.07401	0.2
60.08162	15.4
63.94197	0.2
66.20143	0.2
67.05498	1.0
69.07063	0.5
71.07372	5.9
71.08632	1.9
72.33661	0.2
81.03444	0.2
81.07040	0.8
83.08611	0.5
83.23660	0.2
85.10188	1.1
86.09702	48.4
87.10026	0.7
89.06008	0.2
93.07034	0.2
95.04951	0.2
95.08606	1.2
97.10161	0.3
98.98466	3.2
104.10741	96.9
105.11056	0.9
109.10099	0.4
121.10125	0.2
125.00001	26.8
134.46179	0.2
136.49559	0.2
143.01025	0.4
146.09453	0.2
147.04440	0.2
163.01572	0.8
173.23956	0.2
181.02673	0.3
184.07335	100.0
185.07719	1.0
258.11026	1.3
329.02408	0.2
341.30420	1.4
372.80731	0.2
447.28741	0.2
506.36011	8.7
507.36121	0.5
524.37158	25.9
525.37537	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.3
55.01855	0.8
55.05506	1.9
56.05018	0.4
57.03435	8.6
57.07034	1.4
58.06599	33.1
58.06873	1.3
58.07021	1.0
59.07381	10.7
60.08162	9.7
60.08451	0.4
65.91869	0.3
67.05503	5.5
69.07070	2.4
71.08607	0.7
73.02882	1.0
75.04480	4.0
79.05489	4.5
81.07051	4.7
83.08596	0.6
84.08109	0.5
84.56453	0.3
85.02891	2.0
85.10138	0.4
86.09673	0.8
87.04469	5.3
89.05991	1.6
91.05471	2.8
92.71747	0.4
93.05493	0.5
93.07041	4.1
95.04944	0.6
95.08599	2.9
97.06484	1.0
97.10128	0.4
100.11227	0.4
101.06008	0.4
102.05506	0.3
103.03911	0.6
104.10706	1.0
105.05454	1.0
105.06998	1.5
107.08555	1.5
109.10122	1.2
113.06006	0.3
119.08566	1.6
121.06433	0.5
121.10091	1.0
124.99995	0.4
129.05437	0.5
129.06941	0.4
133.08595	0.8
133.10104	0.7
135.11642	0.8
143.08575	0.5
144.10202	7.2
144.28734	0.4
145.10034	0.4
162.11275	4.7
167.08406	0.4
171.11623	0.5
177.11211	0.6
184.07288	1.1
185.07700	0.6
186.07639	0.4
197.13124	0.4
214.49394	0.3
218.13821	0.7
236.14908	100.0
237.15266	3.4
254.38005	0.3
259.70490	0.4
404.81857	0.3
433.30768	0.6
506.38428	25.7
507.38803	1.9
524.39453	66.4
525.40082	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	524.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.4
55.05517	2.0
56.04978	0.5
57.03434	7.1
57.07050	0.8
58.06599	31.4
58.07014	0.9
59.04968	0.4
59.06902	0.4
59.07380	9.3
60.08163	10.7
60.08447	0.5
67.05508	4.3
67.96322	0.3
69.07034	1.4
69.42210	2.2
71.08613	0.4
73.02911	0.8
75.04484	3.7
79.05499	3.4
80.21082	0.3
81.07055	4.1
83.04950	0.4
83.08578	1.2
84.08109	0.9
84.56457	0.4
84.56890	0.3
85.02898	2.7
86.09730	1.7
87.04465	5.0
87.09990	0.4
89.29752	0.3
91.05486	2.7
93.05472	0.4
93.07049	3.3
95.04942	0.8
95.08603	3.1
97.06489	0.6
100.11223	0.5
102.05457	0.4
103.03923	0.7
104.10757	2.3
105.05471	0.9
105.07026	1.5
105.11050	0.9
107.08553	1.3
109.10114	1.0
113.06006	0.5
117.06974	0.5
119.08530	1.0
121.10123	1.0
122.54353	0.3
123.11720	0.3
124.99968	0.8
128.16096	0.3
133.10075	0.7
144.09114	0.5
144.10181	7.7
145.10085	0.3
147.42296	0.4
162.11247	3.5
184.07350	3.0
185.07635	0.9
186.07774	1.0
200.12828	0.8
204.83621	0.4
218.13852	0.6
236.14912	100.0
237.15236	3.2
506.38422	19.7
507.38861	1.8
524.39465	63.8
525.40112	5.5
539.59039	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2312
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
51.12395	0.4
53.03942	0.6
57.03471	0.5
58.01537	0.5
65.03948	0.4
67.05508	1.9
69.03429	1.3
69.07052	0.6
70.49860	1.2
79.05508	1.4
81.03416	1.2
81.07060	1.8
82.85857	0.4
83.05019	0.7
83.08619	0.5
85.02905	1.0
85.24835	0.4
87.00824	0.8
91.05483	1.5
93.07046	0.9
95.04990	0.6
95.08599	0.8
96.80820	0.4
97.02900	1.7
97.06547	1.6
99.04494	0.6
103.24476	0.5
105.07031	0.9
107.08611	1.2
109.02858	0.5
109.10138	0.8
111.04428	0.5
115.03915	0.9
119.08607	1.0
121.06515	0.4
123.11769	0.5
127.03888	0.5
133.10089	0.6
133.80893	0.5
137.09610	0.5
145.10121	0.7
151.07452	0.5
159.11768	0.7
165.09203	2.3
185.04286	0.5
201.03926	0.5
245.06406	0.8
259.16806	1.8
261.18347	1.7
277.17786	7.2
286.44897	0.5
287.03690	3.7
289.05209	4.4
290.05856	0.5
305.17245	1.0
324.13312	0.4
405.62411	0.5
421.21664	2.6
439.23102	5.5
463.23032	6.1
481.24088	24.2
482.24423	1.2
507.22000	18.3
508.22784	0.9
510.92844	0.5
525.23071	100.0
526.23376	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	525.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24389	0.4
67.05509	0.7
69.03436	0.8
69.07085	0.4
71.29989	0.5
71.30350	0.5
79.05493	0.8
81.00574	0.4
81.03389	0.4
81.07069	0.6
85.02924	0.9
93.07076	0.8
95.08646	0.4
97.02919	0.7
105.07035	1.0
183.06714	0.5
185.04062	0.4
201.03841	0.6
203.05304	1.0
243.04634	2.5
245.06297	2.6
259.16736	6.0
261.18280	13.2
261.77173	0.5
262.18753	0.7
277.17767	21.8
278.18149	1.2
287.03738	13.9
287.06854	0.8
289.05289	12.8
290.05777	0.6
439.22992	3.8
481.24078	24.8
482.24429	1.8
525.23114	100.0
526.23444	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	525.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60113	0.6
55.05499	1.1
56.51876	0.7
67.05505	1.8
69.07059	1.4
71.28339	0.9
79.05484	1.3
80.17952	0.7
81.07059	2.6
82.02026	0.7
85.02881	0.7
86.09674	0.9
89.06034	2.4
91.05508	0.8
95.08605	1.2
97.10149	0.7
105.07024	0.9
109.10161	0.8
121.10174	0.7
132.37553	0.7
147.00282	0.7
164.43524	0.7
216.42572	0.7
350.46582	0.9
431.43762	0.9
525.33972	100.0
526.34308	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	525.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01377	2.0
50.71137	2.0
53.03941	5.1
55.01871	6.0
55.05510	6.9
57.03434	7.0
67.05507	12.9
69.03431	19.4
69.07075	19.3
69.82363	1.8
71.01365	2.3
71.04996	4.5
73.02908	7.1
73.08185	1.7
79.05487	11.0
81.03425	13.1
81.07056	26.8
83.04980	3.8
83.08606	7.1
84.04505	2.2
85.02909	23.0
85.06541	4.2
86.09724	2.0
86.35339	1.8
87.00836	32.4
87.04462	3.6
89.69380	2.0
91.05478	8.6
93.07043	11.3
95.04946	2.7
95.08611	25.4
97.02895	100.0
97.06543	15.3
97.10178	3.9
98.22661	5.2
99.04472	5.5
103.03967	1.8
105.01868	16.6
105.07043	7.7
107.08585	12.2
109.02882	4.7
109.10170	15.2
111.04472	2.5
111.08033	1.9
111.11729	3.5
113.98571	1.8
115.03944	11.8
117.07068	2.4
119.08600	4.2
121.10140	7.8
123.08076	2.8
123.11694	11.3
125.09657	3.3
127.03925	20.5
131.08527	3.4
133.06508	2.4
133.10138	5.1
135.11708	5.3
137.13242	4.4
143.08585	2.5
145.04202	1.5
145.04993	14.7
145.10135	3.7
147.04431	2.5
149.13263	6.2
151.14793	1.8
161.02373	2.9
161.09555	2.5
161.13298	2.1
163.03908	10.1
163.11243	3.0
163.14842	3.0
165.09145	5.3
165.12750	2.1
173.02351	5.5
173.91219	1.9
201.03943	32.2
203.89964	1.8
215.07079	7.9
219.04990	9.7
231.04971	10.1
249.06096	7.6
259.09677	14.3
261.18237	6.4
277.10699	3.6
277.14136	4.4
277.17505	2.3
287.03787	8.5
289.05353	6.9
291.26859	6.7
297.27902	4.9
309.28000	7.7
345.08246	5.3
380.87225	1.9
433.20236	2.7
481.24295	11.0
494.16223	2.0
507.21564	2.5
525.22955	61.2
525.30310	31.7
526.24158	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	526.192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53311	3.6
53.08802	4.0
55.01868	6.9
55.05511	9.3
57.03438	14.2
67.05508	9.9
68.05861	4.9
69.03430	64.5
69.07076	6.2
69.41761	10.4
69.42162	16.1
79.05495	7.5
79.42908	4.2
81.03394	10.6
81.07062	14.0
83.04963	5.2
85.02895	50.4
85.06530	6.2
87.00835	5.3
87.04469	34.6
89.56380	3.9
91.05482	9.3
95.04960	5.1
95.08622	10.0
97.02894	48.6
97.06525	12.0
98.23323	8.0
105.07043	8.2
107.08572	5.6
109.06509	6.4
109.10167	11.2
115.03937	53.2
119.08571	9.3
123.08085	5.0
127.03914	9.6
133.04964	54.1
133.10054	4.9
137.09587	9.6
145.04948	11.4
150.07652	7.0
163.06152	4.9
165.09126	100.0
166.09448	50.7
173.09529	4.4
178.58482	4.9
201.03963	4.3
215.07034	15.8
219.05197	4.9
236.16147	27.2
266.13641	7.2
300.14154	4.3
323.72852	4.5
364.20956	45.2
398.21432	9.2
428.18274	4.7
526.26233	54.7
527.25165	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	526.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	10.8
55.05510	7.7
55.42925	5.5
57.03435	31.5
67.05514	15.0
68.05147	4.8
69.03435	100.0
69.07059	7.4
79.05498	14.2
79.89289	5.1
81.03412	13.7
81.07059	16.2
81.41541	5.9
83.04955	6.3
84.10765	5.5
85.02913	73.6
85.06506	7.6
87.00816	8.7
87.04469	49.3
91.05499	10.0
93.07050	13.3
95.04975	5.5
95.08621	18.0
97.02905	80.8
97.06523	31.5
99.04457	6.1
99.08104	8.3
100.48963	5.4
105.01849	6.3
105.07008	6.9
107.08590	5.9
109.10153	11.5
111.04483	7.7
115.03947	93.3
119.08623	7.0
125.09699	5.8
127.03943	20.0
133.04971	86.3
137.09656	10.2
141.18765	5.5
145.04951	18.5
150.07610	12.1
163.03966	11.5
164.04300	7.0
165.09113	61.8
166.09459	31.1
181.08411	7.7
205.58830	5.6
215.07089	16.7
233.11812	6.6
236.16275	37.2
248.12625	6.7
266.13593	12.2
289.05176	13.3
297.16855	16.1
364.20956	84.1
398.21402	14.8
413.34079	5.9
482.24149	10.6
483.25995	7.2
491.25961	6.4
521.05737	5.7
526.26184	99.3
527.24738	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	20.9
55.05505	3.9
57.03430	10.0
67.05512	5.1
68.99777	3.4
69.03053	19.8
69.03442	40.2
69.07078	16.2
69.70024	2.7
71.01370	4.9
73.02911	7.2
79.05496	5.9
81.03412	5.3
81.07075	6.9
83.04999	5.5
85.02914	52.8
87.00835	48.3
87.04470	6.2
89.86199	3.0
91.05489	5.2
93.07052	5.1
97.02892	100.0
97.06548	6.6
98.23415	5.2
105.01858	23.6
107.08579	4.2
109.02878	3.3
109.06569	3.2
111.11729	4.4
115.03933	95.1
119.08630	3.8
127.03885	15.7
145.04976	9.8
165.09119	7.2
201.03949	59.0
219.05002	60.1
220.05431	3.0
223.06013	3.7
225.14922	3.0
249.06024	5.7
249.73872	2.9
258.22296	2.8
323.31155	3.1
395.39319	3.0
482.24786	3.5
526.23175	19.3
527.24677	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	526.25
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41806	0.6
53.03942	2.9
55.01870	4.8
55.05514	3.2
57.03431	5.2
60.50003	0.6
61.02918	0.9
65.08980	0.6
67.05492	2.0
68.99799	3.7
69.03428	21.9
69.07066	15.0
70.12534	0.6
71.01358	4.2
71.29575	1.0
73.02913	5.5
79.05484	1.3
81.03421	2.0
81.07053	2.0
81.35577	0.6
83.04979	1.4
83.89892	0.6
85.02904	100.0
86.03255	1.2
87.00829	38.3
87.04002	0.7
87.04464	4.6
91.05462	1.6
93.07038	2.2
95.04952	0.8
95.08639	0.9
95.89536	0.6
97.02892	56.3
97.06519	2.3
98.03260	0.7
99.04427	0.8
105.01865	13.2
105.07070	1.3
107.08597	1.4
109.02842	0.9
109.10141	0.9
111.00752	1.6
111.04428	0.9
111.11723	4.7
113.02393	1.2
115.03930	57.6
116.04255	0.8
127.03894	2.8
129.07104	0.6
131.03433	0.7
133.10123	1.0
141.01852	0.8
143.03360	1.1
145.04971	2.2
147.04401	3.0
147.15997	0.6
163.06023	1.6
165.09105	0.7
171.02930	9.8
174.69020	0.7
183.02869	3.8
201.03943	46.4
202.04192	0.8
219.04991	89.4
220.05315	1.9
241.66760	0.7
260.10114	1.3
260.17093	0.8
261.18210	1.1
262.18448	1.1
277.14093	1.1
278.14392	1.8
278.17688	0.7
279.15540	0.8
280.27075	0.8
287.03802	0.9
290.05447	1.2
364.20721	1.1
398.00632	0.8
482.24597	3.1
483.21698	2.8
526.23535	14.2
527.20734	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	526.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75783	2.4
53.03942	5.2
55.01873	25.7
55.05509	9.3
55.82451	2.2
57.03425	10.1
60.04530	2.3
67.05493	5.2
68.99781	4.2
69.03426	56.9
69.07074	33.1
70.01302	2.1
70.06577	2.9
71.01349	7.3
71.04991	3.3
71.28848	2.8
73.02898	6.8
75.21191	2.3
79.05482	5.3
81.03415	7.3
81.07054	6.6
83.04978	4.0
83.08623	2.4
85.02904	69.5
85.06540	4.1
86.06091	3.1
87.00829	56.8
87.04459	10.5
88.77397	2.4
91.05439	6.5
93.07048	7.1
95.04951	2.3
95.08601	4.5
97.02891	87.0
97.06516	9.7
99.04446	3.6
99.08116	2.8
100.11256	5.1
105.01876	22.2
105.07001	4.7
107.04940	4.0
107.08588	5.9
109.02861	3.7
109.06552	2.9
109.10160	6.6
111.04507	3.4
111.08099	8.0
111.11737	13.0
115.03931	100.0
115.04750	4.7
116.04258	4.2
119.08568	4.7
121.06481	2.6
121.10139	5.2
127.03911	5.1
129.12756	14.5
133.10173	2.9
134.94763	2.5
137.09596	7.4
138.09084	3.2
139.56961	2.5
141.12733	8.4
145.04974	5.9
145.10138	4.2
163.03868	4.0
165.09093	23.6
167.10640	3.5
173.11737	3.3
182.15384	2.9
195.13820	2.9
201.03938	58.0
207.13850	4.1
210.14799	4.0
219.05000	57.7
223.06068	4.0
255.15898	6.7
273.17026	5.0
291.18018	7.2
292.19757	2.5
316.33862	2.8
323.11530	3.1
364.21008	6.6
430.04684	2.5
445.65753	3.0
483.21652	3.4
526.24200	7.6
527.20905	3.8
527.24353	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	526.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50031	0.7
53.03940	2.2
55.01871	7.1
55.05508	13.9
57.03440	8.3
58.26059	0.7
59.04988	3.1
65.03940	0.9
67.05503	9.4
69.03413	0.9
69.07056	3.2
70.12550	0.7
71.01335	1.0
71.04978	2.1
73.74142	0.7
79.05493	16.3
81.03413	8.5
81.07053	14.0
83.01338	6.9
83.04979	9.5
83.08624	9.7
85.02882	3.4
85.06541	1.6
88.91930	0.6
89.02759	0.8
91.04972	1.0
91.05482	12.1
93.06484	1.1
93.07042	19.2
95.04974	4.4
95.08612	5.8
96.34482	0.6
96.77994	0.7
97.02883	1.7
97.06538	3.6
97.10139	1.3
99.04452	3.0
105.07035	6.7
107.04957	7.2
107.08583	10.9
109.06497	6.3
109.10143	1.8
111.04444	1.6
111.08069	1.3
117.07020	5.4
119.08561	5.3
121.06471	1.5
121.10152	8.4
123.08035	7.4
125.05942	1.8
125.09594	1.4
128.06157	0.9
129.06995	2.0
130.07758	1.3
131.08546	3.0
133.10092	1.3
133.42455	0.7
135.08037	1.5
135.11700	9.1
137.09557	1.6
145.10101	12.4
147.08029	2.2
153.12700	2.1
155.08549	1.3
163.11185	23.2
164.11456	1.0
173.09627	3.0
181.10941	0.7
181.12202	3.5
191.10603	3.3
198.13310	0.7
199.72324	0.7
209.11702	9.2
224.45016	0.8
227.12767	5.5
283.15387	100.0
284.15738	5.7
491.26370	29.3
491.33618	1.1
492.26633	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	526.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38968	0.7
52.23505	0.8
53.03943	1.7
55.01681	0.7
55.01879	8.5
55.05511	13.8
57.03447	8.8
59.04991	2.6
67.05504	9.9
69.03420	1.1
69.07053	2.6
69.82347	4.1
71.04988	2.2
77.58829	0.9
79.05492	17.0
81.03412	8.6
81.07056	13.8
83.01344	8.1
83.04970	8.8
83.08624	8.4
84.16037	0.9
85.02905	3.1
91.05482	11.5
93.07050	19.2
95.04972	4.4
95.08617	6.0
97.02881	1.8
97.06529	3.7
97.10188	1.6
98.23331	1.0
99.04449	2.2
105.07035	7.3
107.04941	5.4
107.08601	10.9
109.06520	6.4
109.10141	1.3
111.04435	2.1
117.07050	5.5
117.07727	0.9
119.08578	7.2
121.06507	2.9
121.10137	6.2
123.08071	7.9
125.06052	1.1
125.09657	0.9
127.55482	0.8
129.06989	1.7
130.07828	1.2
131.08611	1.3
133.10083	1.1
135.08057	1.4
135.11687	8.9
137.09624	1.5
145.06558	1.0
145.10135	12.6
147.08009	1.3
153.12762	1.8
163.11182	19.2
173.09631	4.5
181.12251	3.7
191.10725	2.4
209.11729	9.6
227.12830	4.0
239.90314	0.9
267.42465	1.1
283.15399	100.0
284.15674	5.0
310.50476	1.0
407.19476	0.9
491.26434	29.6
492.26663	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	526.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.4
55.01866	8.7
55.05510	13.8
57.03437	14.7
58.06603	31.2
59.05011	2.2
59.07383	9.7
60.08155	7.4
67.05502	12.6
69.03434	2.6
69.07058	4.6
70.74368	2.4
71.04996	3.2
73.02891	1.6
75.04475	3.8
79.05498	18.0
81.03427	8.5
81.07058	17.9
83.01345	8.4
83.04979	11.0
83.08622	9.8
85.02916	5.9
87.04474	7.0
91.05491	16.0
93.07042	21.7
95.04969	4.4
95.08614	7.3
97.02880	3.2
97.06533	4.0
99.04466	2.9
102.05545	1.6
103.05489	1.6
105.07037	9.2
107.04954	6.2
107.08587	9.7
109.06526	6.7
109.10149	5.2
111.04457	2.7
111.08124	1.6
117.07034	5.2
119.08584	6.4
121.06516	2.3
121.10174	6.6
123.08096	7.5
125.05993	1.5
125.09590	2.4
129.07021	2.9
130.07764	1.4
131.07022	3.2
131.08549	3.0
133.10141	3.7
135.11682	8.0
137.09625	1.9
144.10187	6.3
145.06528	1.4
145.10123	11.1
147.08020	2.4
153.12775	2.7
155.08548	2.9
162.11290	4.8
163.11166	20.7
173.09674	1.7
181.12244	4.2
191.10718	3.1
209.11763	11.6
227.12808	5.7
236.14928	88.3
237.15308	3.3
262.96881	1.5
283.15402	100.0
284.15790	3.9
399.21762	1.3
421.25806	1.8
426.37146	1.5
428.26190	1.8
476.17020	1.5
490.32028	1.7
491.26382	37.8
491.43256	1.4
492.26810	2.9
494.18280	1.3
508.32654	21.6
509.33713	1.7
521.25366	1.5
526.33716	57.1
527.33929	5.6
539.67145	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
55.01851	1.4
55.05508	3.0
56.05022	0.5
57.03433	6.9
58.06601	33.3
59.04969	0.5
59.07381	10.8
60.08164	10.4
67.05509	3.4
68.60896	0.3
69.03402	0.8
69.07066	2.3
69.46243	0.5
69.46662	2.0
73.02882	1.2
75.04483	4.0
79.05492	3.4
81.03398	0.7
81.07067	2.6
83.04979	0.7
83.08614	0.7
84.08113	1.2
84.08559	0.3
84.69004	0.4
85.02908	2.9
87.04008	0.4
87.04472	5.6
89.39137	0.3
91.05483	1.7
93.07056	1.9
95.04934	1.3
95.08598	0.8
97.02865	0.6
97.06497	0.7
97.10136	1.1
98.23322	0.6
101.06011	0.5
102.05517	0.7
103.03899	1.0
105.05489	0.8
105.07014	1.2
107.04926	0.6
107.08563	1.0
109.10121	0.9
113.05986	0.3
115.98895	0.4
117.07009	0.5
117.07835	0.5
119.08548	1.4
121.06454	0.4
121.10145	0.6
123.08046	0.8
125.09628	0.4
128.08205	0.3
129.06970	0.5
130.08583	0.8
131.07025	2.7
131.08495	0.4
135.08031	0.5
135.11690	0.7
136.14095	0.3
144.10182	7.6
145.10002	0.4
147.08028	0.4
159.06557	0.5
159.11644	0.4
162.11259	4.9
163.11226	0.7
181.12222	0.5
200.12804	0.7
218.13901	1.2
223.13197	0.4
236.14919	100.0
237.15298	2.9
273.18518	0.4
283.15353	4.3
290.16037	0.7
291.19583	1.5
332.98495	0.4
405.26346	0.5
410.25244	0.9
421.25766	7.5
422.26315	0.4
428.26404	3.1
449.25311	3.4
464.33688	0.6
490.31561	3.0
491.26453	1.0
508.32693	27.6
509.33072	2.2
526.27063	3.1
526.33752	46.1
527.27240	0.5
527.34192	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	526.3374
Annotation	Tumonoic Acid B
Peak:m/z	Relative Intensity
53.03927	0.5
55.01871	2.2
55.05513	2.3
55.95076	0.4
56.37030	0.4
57.03437	8.0
58.06596	35.7
59.06898	0.5
59.07378	10.8
60.08161	9.4
65.94431	0.4
67.05502	5.0
69.02734	0.7
69.03135	2.9
69.07062	2.0
70.20908	0.4
71.04961	0.6
73.02885	1.1
75.04482	4.0
77.46466	0.4
79.05492	5.2
81.03379	1.7
81.07045	3.9
81.11913	0.4
83.01302	0.4
83.04967	2.0
83.08586	1.2
83.50967	0.5
84.08111	1.8
85.02898	2.7
87.04465	4.7
91.05490	4.1
93.05506	0.6
93.07049	3.8
95.04968	1.9
95.08593	3.4
97.06503	1.2
97.10124	0.5
102.05492	1.3
103.03917	0.5
104.71432	0.4
105.05491	1.0
105.07016	2.8
107.04922	1.2
107.08598	2.1
109.06499	2.0
109.10102	0.8
111.04398	0.7
113.05956	0.7
115.05403	0.5
117.07019	1.0
119.08570	1.8
121.06493	0.8
121.10114	1.1
123.08030	0.9
128.06155	0.4
129.06949	0.5
130.08626	0.7
131.07054	2.3
131.08496	0.8
133.10088	1.5
135.08070	0.8
135.11684	0.9
143.08514	0.5
144.09108	0.7
144.10184	8.0
145.06456	0.5
145.10077	1.2
147.07982	0.6
157.10042	0.5
162.11252	4.6
163.11099	1.9
168.38379	0.4
175.11082	0.6
184.84073	0.4
193.12209	0.6
200.12816	0.6
218.13815	0.9
236.14909	100.0
237.15273	2.5
283.15424	8.2
290.15927	1.7
372.23892	0.5
399.21564	0.4
410.25275	1.2
428.26361	4.0
462.16980	0.6
490.31558	5.9
491.26086	4.4
508.32675	37.7
509.33368	2.6
510.77744	0.4
515.40778	0.4
526.27417	1.7
526.33704	41.2
527.34247	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	526.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.05512	10.7
56.05041	0.7
56.05862	0.3
57.05816	1.3
57.07077	0.9
57.80455	0.2
58.06603	0.8
59.90713	0.3
67.05509	1.2
68.98981	1.2
68.99400	1.0
69.07071	5.7
70.06591	2.5
71.07352	0.2
71.08634	0.8
71.67290	0.2
72.08156	100.0
73.08483	0.9
79.05522	0.5
81.07052	0.5
83.08633	0.5
84.08135	0.2
89.06039	1.3
91.05485	0.4
92.74045	0.2
93.07065	0.3
95.08601	0.5
97.06534	4.3
98.06063	1.0
98.22533	0.5
105.07036	0.3
107.08568	0.2
108.74827	0.2
109.10152	1.1
114.09189	0.6
115.93215	0.3
118.08659	0.6
119.08621	0.3
126.09166	0.8
126.12793	27.1
127.13152	0.4
133.08611	0.9
133.10127	0.3
140.14375	0.3
157.10135	0.2
159.11957	0.3
168.13840	7.3
171.14899	0.4
172.13324	2.1
177.11256	0.3
184.07245	0.3
186.14894	27.6
187.15230	0.8
196.13315	1.9
197.12926	0.2
201.67088	0.2
209.58243	0.2
214.14378	10.7
232.15543	0.5
253.18982	0.2
257.22217	0.4
267.20700	0.7
268.19144	0.7
285.21710	8.2
313.21176	1.8
327.19928	0.3
328.21204	4.3
331.22305	2.8
339.26459	0.6
367.25873	1.2
381.27460	0.4
384.28387	0.3
397.28854	0.2
399.28528	13.3
400.28824	1.0
427.28036	4.4
498.35364	22.8
499.35797	1.8
526.34808	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	1.4
55.05510	3.6
57.03430	7.7
57.07076	20.9
57.66114	0.8
58.06600	29.6
59.07384	8.5
60.08160	7.9
67.05506	8.0
69.07071	5.6
71.08633	17.0
71.29737	1.0
73.02887	0.8
73.06493	1.0
75.04472	3.9
79.05482	4.8
81.03376	0.9
81.07059	6.1
83.08590	1.9
83.37433	0.7
85.02866	2.5
85.10183	9.8
87.04476	6.6
89.06028	34.9
91.05479	4.1
93.06998	3.2
95.04919	1.4
95.08607	5.6
97.10123	1.9
99.11691	2.8
103.03894	0.8
105.07004	1.9
107.07062	0.8
107.08550	2.0
109.10120	1.9
113.13248	1.9
119.08530	1.6
121.10111	1.0
122.11572	0.7
123.11699	0.7
125.09685	0.8
125.13206	0.9
127.14780	1.0
130.08609	1.0
131.06989	2.1
131.08560	1.1
133.08603	22.2
133.10114	1.0
135.11627	1.3
139.72668	0.7
143.08557	1.5
144.10197	8.2
145.10127	0.9
147.29321	0.8
157.10007	0.9
159.11746	1.1
162.11226	4.4
163.48357	0.6
169.10153	1.0
177.11226	8.4
206.02835	0.7
221.13782	1.5
224.73106	0.8
236.14914	100.0
237.15352	2.9
239.14876	1.1
247.94357	0.8
256.26587	1.1
265.16641	0.9
283.17554	0.8
327.20218	5.7
414.53076	0.8
498.25226	0.8
508.39969	20.5
509.40399	6.1
526.41113	66.3
527.36292	1.1
527.42719	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	526.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	6.5
55.72159	3.3
57.03431	11.7
57.07078	31.5
67.05513	24.8
69.07066	7.5
71.08634	21.1
79.05502	10.0
81.07056	13.1
83.08615	6.4
85.10174	12.6
89.06025	33.2
91.05486	92.9
93.07001	4.4
95.08618	13.7
97.10189	4.8
100.73911	3.3
105.07037	33.7
109.10178	7.6
117.06993	3.9
133.08655	18.6
133.10126	100.0
143.08578	5.2
148.17261	3.2
151.11246	3.4
151.34460	3.7
161.09627	13.5
177.11185	4.3
179.10703	4.7
239.23535	3.5
253.14305	57.3
253.16693	5.3
313.27377	97.9
314.27676	5.4
325.26556	3.5
327.20163	10.2
375.02316	3.2
491.37357	67.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94773	7.2
55.01863	7.0
55.05510	30.3
57.03427	11.9
57.07082	14.2
67.05508	50.0
68.12454	6.8
69.03775	62.9
69.07060	31.2
71.08662	7.2
79.05492	27.1
81.07057	25.0
83.04973	14.2
83.08627	17.3
89.06033	100.0
93.07042	32.3
95.08601	25.0
97.06551	9.1
97.10184	14.3
107.08597	22.9
109.07906	6.6
109.10168	26.4
121.10164	6.9
129.07048	7.4
133.08600	67.6
135.11667	35.1
173.11781	9.8
177.11197	18.9
181.12299	9.0
211.84045	8.0
229.14305	25.3
255.15924	38.7
311.25787	38.3
327.20200	36.8
337.27292	9.5
455.53391	8.1
491.37384	85.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	6.0
57.03445	3.1
57.07076	64.4
58.06602	19.8
58.47132	1.2
59.07373	6.6
60.08167	6.1
67.05508	7.5
69.07066	8.0
71.08633	52.8
73.02911	1.5
73.06563	4.1
75.04459	2.1
79.05502	4.6
81.03416	2.0
81.07065	6.3
83.08624	3.4
85.10184	32.5
87.04468	5.6
89.06031	100.0
91.05475	3.4
93.07038	3.6
95.08609	4.8
97.10156	2.9
99.11754	7.5
104.33464	1.3
105.07034	3.2
107.07072	3.9
107.08595	2.4
109.10175	2.0
111.11735	4.4
113.13277	4.9
116.60068	1.1
117.07021	1.4
117.09142	4.5
119.08649	2.6
121.10131	2.7
125.13306	2.8
127.14841	4.5
131.07088	2.7
131.08582	2.0
133.08604	68.5
134.09109	1.5
135.11710	1.4
144.10226	4.8
145.10132	2.2
162.11281	1.8
167.08429	1.1
177.11220	26.9
177.12630	2.0
183.21124	2.1
221.13805	5.7
236.14920	67.5
237.15393	1.4
239.14914	3.2
245.90637	1.3
256.26440	1.7
271.26288	4.3
283.17517	4.0
293.89178	1.3
315.28922	4.6
327.20090	20.5
458.31140	1.5
508.39984	17.5
509.40479	19.4
523.68201	1.3
526.41101	43.6
527.40503	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
55.05525	0.9
55.06276	0.5
57.03447	0.6
67.05499	1.4
69.03435	6.2
69.07077	3.4
69.12796	4.1
70.03751	1.3
70.07401	0.8
73.02905	1.2
79.05529	0.6
81.03482	0.6
81.07051	0.9
83.05005	0.7
85.02913	3.9
87.00822	2.6
87.04501	0.6
93.07034	1.3
95.08611	0.7
97.02888	7.8
97.06548	0.5
98.03252	2.1
105.01894	1.1
106.66133	0.6
107.08625	0.7
111.11768	1.4
115.03946	6.9
116.04279	1.8
127.03933	0.8
137.09615	0.6
138.10077	0.5
145.04947	0.7
145.10168	0.6
148.01482	0.5
149.14754	0.6
163.06081	0.6
165.09097	6.7
166.09474	1.9
185.04286	0.8
201.03893	3.4
202.04276	1.9
219.04951	2.6
220.05370	1.7
227.05261	0.6
235.71016	0.5
243.12158	0.5
245.06325	0.6
261.18359	1.6
271.04288	0.8
279.19391	4.6
423.23553	2.2
441.24542	6.7
465.24701	6.1
466.24521	0.6
483.25720	17.7
484.26242	1.5
509.23563	24.3
510.23938	1.5
527.24658	100.0
528.24921	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	527.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	0.7
69.03417	0.6
69.07069	0.5
71.06619	0.4
79.05504	0.4
81.03394	0.3
81.07064	1.3
83.05005	0.4
91.05478	0.4
93.07043	0.7
95.08627	0.3
105.07047	0.7
106.81667	0.4
107.08594	0.6
109.10165	0.5
119.08602	0.4
130.40073	0.3
149.32536	0.3
154.67134	0.3
160.52654	0.4
160.83102	0.3
165.09068	1.8
166.09509	0.3
185.04251	0.6
203.05266	2.7
208.61842	0.3
227.05319	1.1
243.17372	0.4
245.06337	7.2
245.08784	0.5
251.17815	0.3
259.48279	0.3
261.18259	3.2
271.04297	0.9
279.19287	5.3
289.05307	8.7
290.05765	0.5
423.23718	2.0
441.24677	6.3
442.24976	0.4
465.24622	6.7
466.24936	0.5
483.25732	20.4
484.26117	1.7
509.23550	32.0
510.24176	2.4
527.24683	100.0
528.25037	8.3
528.32440	0.6
546.43146	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
61.25460	0.9
67.05503	1.1
79.05474	1.4
81.07060	1.8
89.90968	0.7
95.08576	0.8
96.00845	0.7
97.06516	0.7
105.06993	0.7
107.08579	0.9
119.04959	0.8
133.41708	0.7
146.23769	0.9
201.03778	1.1
203.05234	2.1
227.05296	1.3
243.04692	4.5
243.07089	0.7
245.06313	5.4
261.18423	3.8
261.20840	0.8
263.19843	4.7
271.04297	1.4
279.19305	13.4
279.22198	1.1
287.03726	39.3
288.04202	1.1
289.05295	59.8
290.05710	2.0
344.10059	0.8
413.74979	0.9
441.24371	1.6
465.24249	1.0
483.25586	16.9
484.26065	1.6
509.23618	1.1
527.24640	100.0
528.25031	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	527.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02467	0.7
57.03440	0.6
69.35284	4.1
79.05483	0.8
81.07044	1.3
91.05476	0.9
97.02883	0.8
97.06554	1.0
109.10191	0.7
126.13645	0.6
162.89372	0.7
202.08394	1.6
261.18454	0.7
279.19302	5.8
289.05341	1.5
385.53381	0.6
423.23468	1.6
441.24390	5.5
465.24594	8.5
483.25601	24.4
484.26114	1.7
509.23560	25.7
510.24222	1.4
527.24603	100.0
528.25085	5.4
528.93848	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.3
55.05516	16.8
56.96566	4.5
57.03439	3.0
67.05502	31.7
69.07077	13.5
79.05502	23.2
81.03428	2.9
81.07056	36.1
83.04973	3.2
83.08624	9.1
91.05476	24.4
93.07056	23.9
95.04967	4.3
95.08614	18.2
97.06541	5.0
97.10179	4.7
98.97580	4.0
100.97768	2.6
105.07028	22.9
107.08598	11.7
109.10162	9.4
117.07048	15.8
119.08546	16.8
121.10164	9.4
122.44476	2.8
123.08026	2.9
125.09624	3.4
128.06219	4.8
129.06985	15.6
130.94112	2.8
131.08572	18.6
133.10127	13.4
135.11707	3.4
141.07043	3.7
143.07520	3.3
143.08513	16.6
145.10069	16.9
147.11684	6.0
154.07719	3.8
155.08551	10.3
157.10107	17.4
159.11708	9.9
167.08499	4.9
169.10155	12.4
171.11755	12.9
173.13277	6.5
179.08514	3.4
181.10187	5.4
183.11708	10.9
185.13258	10.6
195.11694	7.6
197.13261	4.1
199.14885	4.2
209.13271	4.8
211.14891	3.3
213.16451	3.7
218.27357	3.0
221.13174	3.0
223.14874	4.1
224.75856	2.6
225.16328	5.7
239.54068	2.9
417.31769	5.8
435.32346	16.4
453.33603	5.4
509.35980	8.0
527.26062	100.0
527.37122	78.9
528.26447	8.8
528.37738	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	527.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.4
55.01878	2.5
55.05515	17.4
56.42931	1.2
57.03428	4.6
57.07077	3.3
65.03938	2.3
67.05509	35.7
69.07069	17.3
71.05006	3.0
79.05493	27.8
81.03422	3.1
81.07063	37.7
83.04993	4.6
83.08620	10.1
85.06561	1.8
91.05489	27.5
93.07046	26.9
95.04982	4.5
95.08605	22.6
97.06551	3.3
97.10180	3.1
100.27199	1.3
103.05433	1.7
105.07037	28.1
106.07398	2.0
107.05032	1.5
107.08583	13.4
109.06547	2.3
109.10155	8.5
111.08115	1.9
115.05437	3.4
117.07027	16.2
119.08589	18.9
121.06525	2.5
121.10123	9.7
123.08112	2.5
125.09656	1.6
128.06253	3.3
129.07008	18.7
129.65309	1.3
131.08569	25.8
133.10143	12.8
135.11700	4.0
135.79089	1.5
137.09712	1.6
141.07011	5.9
142.07822	6.9
143.08586	20.9
145.10135	19.4
146.10495	1.6
147.08025	1.4
147.11700	5.5
149.13278	3.3
154.07785	2.4
155.08580	15.6
156.09361	2.3
157.10115	19.4
159.11705	15.0
161.13231	3.3
163.11192	2.9
167.08598	6.3
169.10100	15.4
171.11685	16.8
173.13309	8.1
175.14810	1.8
179.08531	2.9
181.10168	6.9
183.11708	15.1
185.13242	11.4
186.46448	1.6
187.14839	4.5
193.10143	3.1
195.11679	6.3
197.13284	9.1
199.14714	7.5
207.11810	3.6
209.13356	6.7
211.14899	7.0
213.12810	1.6
213.16440	4.2
221.13275	4.2
223.14867	4.6
225.16420	2.9
235.14868	2.8
241.19670	2.0
249.62840	1.6
251.57440	1.3
255.17346	1.5
257.26862	2.1
259.20474	1.8
283.20471	2.2
297.22260	3.7
323.23679	3.3
339.23230	1.7
341.24771	1.9
361.25192	1.5
417.31384	9.8
435.32648	20.0
436.32831	2.2
453.33502	8.0
454.33524	1.4
459.30228	1.5
471.34698	3.5
473.34506	1.7
509.36203	8.4
527.37311	100.0
528.37744	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	527.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65659	1.2
53.03934	3.5
55.01865	2.6
55.05512	15.9
57.03423	4.2
57.07059	3.0
67.05505	27.6
69.07069	14.8
71.04992	1.9
71.28530	1.6
79.05496	21.4
81.03410	3.3
81.07056	24.1
83.04985	2.1
83.08624	6.8
85.06533	1.4
89.05978	1.2
91.04912	1.3
91.05479	21.9
93.07041	22.4
95.04977	3.7
95.08611	18.5
97.06528	4.0
97.10148	3.4
103.05474	1.5
105.07028	20.8
107.04941	1.4
107.08588	13.8
108.63967	1.1
109.10146	9.0
111.08085	2.3
113.51467	1.2
115.05424	2.1
117.07013	12.9
119.08588	17.4
121.10140	8.6
123.08081	1.5
123.11713	2.0
125.09575	1.7
128.06226	4.2
129.07018	12.8
131.08569	21.4
133.06465	1.4
133.08623	1.3
133.10136	10.8
135.08122	1.8
135.11691	5.0
141.06990	4.7
142.07779	3.5
143.08563	17.9
145.06480	1.6
145.10104	18.2
147.11696	5.8
149.09607	1.6
149.13272	2.6
149.96196	1.2
155.08537	11.3
157.10126	16.2
159.11673	12.7
161.09616	1.7
161.13295	1.6
167.08562	3.2
168.09247	1.9
169.08675	2.1
169.10110	12.4
171.07983	1.2
171.11688	15.4
173.13246	7.8
175.14738	1.6
179.08583	2.0
181.10078	6.2
183.11673	10.2
185.13264	8.7
187.14775	2.3
193.10207	2.5
195.11708	6.2
197.13277	8.6
199.14818	5.5
201.16379	2.4
207.11690	2.5
209.13254	5.7
211.14847	3.2
213.16415	2.6
221.13297	1.5
223.14836	5.1
224.15051	1.4
225.16393	3.4
225.61443	1.1
228.20708	1.2
237.16423	1.9
241.19621	1.6
256.26395	2.0
257.26834	1.3
259.20676	1.4
265.19489	1.6
269.18832	1.9
273.18494	1.3
275.20084	1.1
279.20767	1.6
283.20557	2.4
295.20602	1.6
297.22107	2.6
309.22052	1.5
311.23654	1.4
321.22037	1.5
323.23666	2.0
335.23611	1.5
341.24390	1.6
417.31433	8.5
435.32516	20.3
436.33072	1.9
453.33685	7.3
471.34616	3.8
509.36295	9.4
510.36804	1.6
527.37201	100.0
528.37750	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	528.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39011	1.5
53.03934	1.8
55.01875	17.1
57.03435	9.9
58.06604	2.4
58.12105	1.5
59.04995	2.1
68.99821	3.7
69.03430	38.8
70.06561	3.1
70.06937	4.6
71.01361	4.8
71.04998	1.5
73.02906	4.0
81.03433	4.6
85.02906	48.3
87.00832	45.3
87.01352	2.7
87.04463	7.3
97.02897	88.9
98.03246	2.2
98.23256	1.9
98.29452	1.6
99.04452	2.2
105.01861	23.7
109.02929	3.7
115.03931	100.0
116.04307	1.9
127.03947	8.0
141.82504	1.7
145.04958	4.3
157.85359	1.6
163.06061	3.9
171.02827	1.7
180.99168	1.5
183.02878	2.3
201.03951	56.8
202.04343	1.5
219.05005	69.0
223.06062	3.5
223.42751	1.6
236.15007	3.8
241.07118	3.2
351.58490	1.7
486.64343	1.8
529.25671	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02879	1.1
53.03944	2.5
55.01870	24.8
55.05510	1.9
57.03433	8.2
61.02936	1.2
67.05518	1.4
68.99792	2.9
69.03139	2.6
69.03441	33.4
71.01345	6.1
71.04996	1.8
73.02920	6.5
81.03403	3.7
81.07076	1.8
85.02903	59.9
86.06043	1.5
87.00826	51.5
87.04482	7.1
91.05490	1.6
93.07052	1.4
95.04930	2.3
95.08599	1.3
96.04469	1.5
97.02888	88.9
97.06527	2.5
98.23475	1.9
99.04428	1.2
105.01859	22.0
107.08568	1.3
109.02905	2.3
109.10165	1.5
114.05471	2.0
114.53031	1.1
115.03927	100.0
116.04294	1.3
127.03924	7.1
143.03351	1.8
145.04936	6.8
147.11687	1.4
163.06006	2.7
171.02904	3.3
177.24730	1.1
183.02869	2.6
201.03940	58.6
202.04323	1.3
209.85533	1.1
218.06688	2.1
219.04994	59.9
223.06003	3.3
236.14946	2.5
241.07066	3.6
259.07932	2.6
492.33386	1.3
529.33264	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.1
55.01862	15.0
55.05512	36.8
57.03439	31.0
58.06589	8.9
58.46969	2.6
59.05003	4.9
59.07399	3.1
65.03938	3.7
67.05505	38.2
67.05843	4.5
69.03425	7.6
69.07068	13.2
70.22510	9.6
71.04991	7.0
79.05492	46.2
81.03419	91.9
81.07050	46.8
83.01359	9.0
83.04977	39.0
83.08614	29.9
85.02896	29.2
91.05474	47.5
93.07037	45.3
95.04969	30.6
95.08602	18.2
97.02853	3.4
97.06522	8.2
97.10169	4.6
99.04495	3.8
105.07015	34.7
106.07401	3.0
107.04959	19.6
107.08572	18.3
109.06535	12.7
111.04450	4.8
111.08067	15.2
117.07019	9.4
119.08580	31.2
121.06532	5.7
121.10172	16.6
123.08056	15.0
125.09610	4.7
129.06975	14.2
131.08571	16.0
133.06442	3.0
133.10153	17.1
135.11714	9.5
137.09627	3.4
137.63397	2.7
142.07809	4.2
145.10117	16.6
147.08086	3.8
147.11693	19.7
149.09653	7.2
157.10158	13.3
163.11174	32.4
165.12677	3.3
173.09673	4.8
175.11183	15.4
181.12267	3.9
191.10780	2.7
193.12222	62.8
209.11789	12.3
211.13289	100.0
212.13550	3.3
227.12772	8.3
236.14886	33.1
267.15964	12.2
283.15402	99.5
284.15607	5.4
285.16913	66.4
383.22107	4.8
475.26654	15.6
493.27960	78.5
494.28122	5.8
510.34039	5.0
528.35034	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	528.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39650	0.2
53.03910	0.5
55.01873	1.3
55.05509	2.2
56.04991	0.4
57.03439	7.2
58.06601	28.2
58.06878	1.3
58.09778	0.2
59.04977	0.5
59.06913	0.4
59.07383	10.0
59.43406	0.2
60.08165	10.1
60.08446	0.4
60.67002	0.2
67.05503	4.8
69.03391	0.8
69.07079	2.0
70.06545	0.4
71.04959	0.6
73.02928	1.3
75.04478	3.5
79.05495	3.9
80.05805	0.3
81.03412	2.5
81.07059	3.6
82.07367	0.3
83.04977	1.7
83.08625	1.5
84.08138	0.6
85.02911	3.1
85.06525	0.4
87.04467	5.1
88.58491	0.3
91.05479	3.3
92.06963	0.2
93.05499	0.5
93.07053	3.6
95.04983	1.3
95.08609	2.4
97.02863	0.3
97.06495	1.1
97.10156	0.4
98.21609	0.3
98.23473	0.6
100.11211	0.5
101.06000	0.5
102.05520	0.7
103.03943	0.5
105.05463	1.0
105.06411	0.2
105.07021	2.1
107.04915	0.9
107.08573	1.8
109.06467	0.6
109.10122	0.7
111.08041	0.6
113.05980	0.9
117.07048	1.4
117.07788	0.5
119.08571	1.8
121.06471	0.4
121.10107	0.8
125.09664	0.3
129.05420	0.5
129.06972	0.8
130.08597	0.3
131.07069	2.1
131.08540	1.1
133.10075	1.1
135.11647	1.0
142.07690	0.3
143.08482	0.3
144.10197	7.5
145.06465	0.4
145.10110	0.8
147.11647	0.5
149.09596	0.4
157.10078	0.5
159.11691	0.2
162.11249	4.7
163.11205	0.6
173.11720	0.3
175.11101	0.5
193.12231	0.9
200.12808	0.4
209.11696	0.5
211.11523	0.3
211.13297	1.9
218.13879	0.9
227.12700	0.4
229.14217	0.4
236.14920	100.0
237.15283	2.9
267.16003	0.3
272.15118	0.3
275.20111	0.5
283.15482	2.0
284.15860	0.5
285.16812	0.8
290.15961	0.7
349.23727	0.3
372.23712	0.5
374.65097	0.2
390.24881	2.1
398.25247	0.4
412.26935	5.9
413.27454	0.4
416.26529	1.8
430.27994	18.8
431.28506	1.2
446.27786	0.9
470.30804	0.3
474.31985	2.2
475.26993	0.6
492.33215	13.0
493.27390	2.1
493.33728	0.9
510.34265	26.6
511.34634	2.4
528.35370	13.0
529.35443	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
55.05508	2.8
57.03189	0.8
57.03439	7.1
58.06600	30.5
59.07382	9.6
60.08158	8.8
61.04763	0.7
67.05506	5.2
69.03416	0.9
69.07061	2.1
70.51388	0.6
70.51718	1.2
71.04980	1.2
73.02901	0.7
75.04477	4.2
79.05489	3.7
79.06677	0.5
81.03417	1.1
81.07050	4.9
83.04982	1.0
83.08614	1.3
83.82088	0.5
84.08132	1.4
85.02888	3.2
87.04457	4.4
91.05503	3.7
93.05516	0.6
93.07050	3.1
95.04955	2.4
95.08592	2.7
97.02890	0.8
97.06519	3.1
97.44764	0.6
98.22740	0.7
103.03939	0.8
105.05539	0.8
105.07014	2.5
107.04935	1.0
107.08579	2.3
109.10189	0.8
117.07011	1.6
117.07897	0.5
119.08540	1.7
121.10115	0.6
123.08052	1.0
125.05978	0.7
128.06169	0.5
129.07002	1.2
131.07031	1.7
131.08572	1.5
133.10115	1.2
139.11595	0.5
143.08577	0.7
144.10193	7.4
145.10153	1.2
147.11729	0.9
157.10114	1.2
159.11739	1.0
162.11272	4.1
173.09581	0.7
201.90717	0.6
218.13988	1.3
227.12492	0.7
227.34399	0.6
236.14920	100.0
237.15266	3.9
275.20120	1.0
337.14566	1.1
355.15308	1.2
412.26993	3.9
416.26334	2.4
416.95456	0.7
430.27960	13.1
431.28076	1.2
446.27185	0.6
474.31772	2.4
492.26202	1.0
492.33228	17.0
493.12454	0.7
493.33521	1.2
510.34274	29.8
511.34515	2.3
528.35474	10.9
529.33820	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	528.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01940	1.1
51.87854	0.9
52.64515	1.1
55.01879	2.1
55.05507	5.5
57.03431	8.0
58.06314	2.2
58.06600	39.1
59.07177	1.1
59.07390	13.0
60.08165	11.7
67.05510	7.0
69.07072	2.8
69.33530	4.0
69.33949	3.6
69.64189	1.2
70.32733	1.1
71.08621	2.5
73.02921	1.2
73.96038	1.1
75.04501	3.7
79.05502	7.3
81.03423	3.2
81.07059	6.6
83.04980	2.7
83.08620	3.5
83.49731	1.1
84.08152	1.5
85.02905	3.5
87.04469	7.6
91.05469	8.0
91.62586	1.4
93.07048	5.5
95.04974	3.9
95.08607	2.7
97.06532	1.1
97.10175	2.8
99.08048	1.5
105.05524	1.5
105.07040	3.7
107.08601	3.3
109.06498	1.6
113.05980	1.2
119.08601	2.8
121.06500	1.5
121.10164	2.5
123.08033	1.6
125.09639	1.9
131.07004	1.9
131.08595	2.5
133.10167	2.1
135.08058	1.6
135.11673	1.7
144.10217	9.1
145.10121	2.9
149.09709	2.4
157.10205	1.5
162.11292	4.5
163.11276	1.4
193.12370	1.7
211.13342	2.6
236.14922	100.0
237.15303	1.9
267.15942	1.4
283.15570	4.8
293.21207	1.8
300.66965	1.3
390.24854	6.9
423.27484	11.4
451.26816	4.5
492.33234	4.9
493.28085	2.7
510.34235	34.6
511.34360	1.5
528.35345	59.8
529.35480	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	528.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
55.01876	3.2
55.05515	3.1
56.05028	0.5
57.03440	8.6
58.06602	38.8
58.06879	1.4
59.04971	0.7
59.07382	12.1
60.08164	10.9
62.34327	0.5
67.05501	4.6
69.07039	1.2
69.57269	2.0
69.89000	0.4
69.96773	0.4
71.04977	0.5
71.08599	1.4
73.02875	0.9
75.04482	4.7
79.05499	4.5
81.03423	2.3
81.06647	0.4
81.07050	4.4
83.01311	0.4
83.04948	1.6
83.08595	1.1
84.08099	1.4
85.02905	2.7
87.04464	5.4
90.91855	0.6
91.04980	0.5
91.05480	5.4
93.07051	3.6
95.04972	2.4
95.08593	2.1
97.06491	1.2
97.10146	0.6
101.61351	0.4
102.05506	1.1
103.03925	0.7
105.05466	1.3
105.07025	3.2
107.04976	2.2
107.08607	2.3
109.06491	1.7
109.10144	0.9
113.05981	0.7
114.08945	0.4
117.07010	1.0
119.08575	1.5
121.06471	0.4
121.10101	1.1
123.08056	0.6
125.09604	1.2
129.06969	1.3
131.07051	2.1
131.08522	1.6
133.10139	2.0
135.08009	0.9
135.11678	1.0
143.08461	0.6
144.09119	0.7
144.10201	9.5
145.10138	1.3
147.11639	1.0
149.09561	0.7
157.10081	0.7
161.39874	0.5
162.11234	3.7
163.11182	0.9
177.12787	0.9
188.73772	0.4
193.12216	1.4
209.11638	0.6
211.13307	1.7
218.13820	1.0
227.12723	0.9
236.14923	100.0
237.15300	4.6
244.44356	0.4
267.15884	0.8
275.19983	0.6
283.15363	3.1
284.15790	1.2
285.16724	1.0
335.49976	0.4
410.25812	1.1
428.26611	4.0
492.33191	6.0
493.27505	1.9
493.33887	0.9
510.34268	37.0
511.34705	3.5
528.35321	44.4
529.35889	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.6
55.05481	1.3
57.03436	7.2
58.06599	28.4
59.07379	9.9
60.08164	8.5
62.84724	0.3
67.05515	3.1
69.03407	0.4
69.07040	1.3
69.82498	1.3
73.02879	1.1
75.04481	3.1
79.05487	2.5
81.07059	2.9
83.04942	0.5
83.08566	0.6
84.08115	0.9
85.02907	2.5
87.03990	0.5
87.04461	5.4
91.05485	2.4
93.05501	0.3
93.07028	2.0
95.04940	0.6
95.08583	1.8
97.06500	0.7
101.05986	0.5
102.05516	0.5
103.03939	0.9
105.05468	1.3
105.07046	1.6
107.08563	1.2
109.06480	0.5
109.10125	0.6
109.72821	0.3
113.06006	0.7
117.06992	1.2
119.08580	1.1
121.10106	0.5
129.05467	0.6
129.06967	0.8
131.07085	2.1
131.08527	0.8
133.10126	0.5
143.08575	0.4
144.10190	7.4
145.10039	0.4
159.11642	0.5
160.09744	0.4
162.11276	3.2
200.12811	0.5
218.14012	0.4
236.14915	100.0
237.15253	2.7
242.43954	0.4
260.04684	0.3
275.19858	0.5
290.15982	0.6
314.60342	0.3
321.44913	0.3
367.24683	0.4
398.25177	0.6
412.26971	5.6
416.26431	3.0
426.45032	0.4
430.27988	16.7
431.28152	1.8
474.32077	2.1
492.33167	14.9
493.33536	1.4
510.34250	28.1
511.34937	2.6
528.35327	15.8
529.35205	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	528.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.3
55.01847	1.1
55.05514	2.5
57.03437	6.8
58.04749	0.2
58.06602	31.3
59.04977	0.3
59.07382	10.8
60.08167	10.1
60.08465	0.3
67.05508	2.5
68.96539	0.3
69.03415	0.4
69.07073	1.5
69.60130	1.2
71.04975	0.4
71.08636	1.6
73.02911	1.2
75.04124	0.3
75.04478	4.0
79.05492	2.4
81.03411	1.3
81.07055	2.3
83.01343	0.3
83.04952	1.2
83.08588	1.0
84.08132	1.8
84.82059	0.3
85.02901	2.5
87.04466	5.4
91.05463	2.1
93.05502	0.5
93.07040	2.0
95.04944	0.8
95.08578	1.0
97.06506	0.4
97.10144	0.8
99.08056	0.6
101.05952	0.3
102.05509	0.9
102.20111	0.3
103.03923	0.6
105.05460	0.8
105.07015	1.2
107.04952	0.6
107.08565	1.1
109.06497	0.5
109.10140	0.5
111.08073	0.3
111.58449	0.2
113.05970	0.7
117.07021	0.5
117.07820	0.3
119.08551	0.8
121.06447	0.5
121.10133	0.5
123.08041	0.4
125.09601	0.4
129.06956	0.5
130.08582	0.5
131.07065	1.9
131.08531	0.5
133.10126	0.5
135.07999	0.5
135.09012	0.3
135.11710	0.4
144.10202	7.9
145.10109	0.4
147.11649	0.3
150.27075	0.2
162.11261	4.2
163.11258	0.3
176.78970	0.3
193.12253	0.6
200.12869	0.4
211.13347	0.5
218.13925	0.8
227.12784	0.4
236.14920	100.0
237.15282	3.6
275.20065	0.9
279.29825	0.2
283.15445	0.4
285.16876	0.7
290.15866	0.4
293.21173	1.9
407.28000	0.5
410.25592	0.5
412.97916	0.4
423.27408	6.5
428.26450	3.8
451.26956	3.3
452.30670	0.5
466.35373	0.8
482.31036	0.5
492.33231	2.6
493.27634	0.6
494.34872	0.9
510.34271	28.6
511.34589	2.7
528.35321	44.1
529.35742	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.8
55.05504	3.6
57.07078	24.3
58.07401	0.8
64.65760	0.6
67.05504	3.9
69.03412	0.7
69.07083	3.4
71.08634	24.5
71.28487	0.8
73.06554	6.9
79.05483	3.8
79.85657	0.7
81.07054	4.7
83.08608	3.6
85.10184	24.7
87.04468	3.9
89.06033	100.0
91.05486	3.9
91.07586	1.1
93.07053	3.4
95.04984	1.2
95.08607	2.0
97.06529	0.9
97.10146	1.7
99.11727	3.0
100.03623	0.7
105.07002	3.1
107.04987	0.7
107.07067	2.6
107.08579	1.6
109.10128	0.9
115.05444	0.7
117.07006	1.8
117.09152	5.6
119.08598	1.6
120.08934	1.0
121.10138	1.0
122.71486	0.6
129.07007	1.7
130.08632	1.6
131.07042	1.4
131.08574	2.6
132.08940	0.8
133.08603	47.1
134.08980	0.9
135.10159	0.8
135.11708	1.3
141.16351	5.2
143.08589	1.4
145.10094	1.8
147.11673	1.0
155.08562	0.7
156.09152	0.7
157.10150	0.9
159.11726	1.2
161.09634	0.8
161.11754	1.7
171.11589	0.7
175.09641	1.0
177.11221	18.0
183.11723	1.0
185.19009	6.9
185.92709	0.6
196.12184	0.6
205.81192	0.6
221.13791	3.8
229.21637	8.5
239.14973	1.0
273.24313	5.0
283.17523	1.8
327.20154	1.3
371.22729	4.3
436.33054	1.2
467.36102	1.2
511.38519	7.7
528.37402	7.5
529.27545	3.0
529.34906	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.426
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57666	0.5
55.01843	0.9
55.05512	3.3
56.04999	0.5
56.26533	0.6
57.03438	8.9
57.04736	0.5
57.07043	1.6
58.06601	32.4
58.98473	0.4
59.04980	0.7
59.07384	10.9
60.08165	10.3
67.05501	3.4
69.07069	4.5
71.08592	0.9
71.57576	0.5
73.02889	0.8
75.04483	4.5
79.05465	1.8
80.13273	0.5
81.07054	2.5
83.08614	2.5
84.08113	0.7
85.02908	2.5
87.04462	6.5
87.53312	0.5
91.05447	1.4
93.05511	0.7
93.07004	1.9
95.08588	2.4
97.06497	0.8
97.10147	1.0
98.23463	1.2
103.03961	0.6
105.05483	1.5
107.08561	0.7
109.10114	0.8
119.08591	0.7
121.10114	1.3
131.07045	2.4
135.11678	1.1
144.10201	7.7
145.25555	0.6
162.11253	4.8
218.14108	0.5
229.27611	0.6
236.14922	100.0
237.15306	2.2
510.41507	22.0
511.41965	1.9
528.21185	1.5
528.42621	70.5
529.43304	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	528.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.4
55.05499	13.9
57.03445	18.5
57.07084	31.6
67.05503	37.8
69.07072	13.4
71.04993	3.5
71.08641	21.4
71.14895	3.4
78.28469	3.2
79.05495	29.7
79.06859	2.8
81.03407	3.8
81.07054	31.0
83.04976	9.0
83.08621	8.9
85.10166	10.6
88.42108	3.4
91.05494	10.5
93.07037	32.9
95.04966	5.3
95.08612	20.8
97.06533	14.6
97.10167	11.1
100.35516	3.0
107.08613	25.2
109.10159	7.1
119.08564	6.5
121.10154	5.0
123.11709	3.6
129.82271	3.6
135.11693	44.3
145.10117	9.5
146.69533	3.6
163.11198	6.0
181.12270	14.2
199.13350	4.1
219.34268	3.2
226.08876	3.0
239.23715	4.7
241.82504	2.9
255.15921	100.0
278.49356	3.0
304.81110	2.7
313.27365	66.2
322.40240	2.7
352.60992	3.0
470.02213	3.2
493.38974	50.9
528.49817	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80151	3.8
55.05513	26.6
57.03424	14.2
57.07064	18.1
57.38440	3.9
64.80237	3.8
67.05507	100.0
67.05852	3.8
69.07059	34.6
70.21192	5.3
70.21531	8.7
71.08616	6.8
76.15853	3.9
79.05506	22.7
81.07059	43.4
83.08617	22.7
85.06559	5.4
89.06031	9.2
91.05472	16.8
93.07045	27.4
95.04958	4.4
95.08607	34.3
97.10167	9.6
105.07033	5.2
107.08595	11.5
109.10156	80.7
111.08079	8.0
119.08566	8.9
121.10177	8.9
135.11732	8.5
149.13225	6.7
155.10725	5.7
173.11734	16.6
229.14378	74.7
229.19113	4.1
272.25772	5.1
283.26343	7.7
339.28943	83.0
430.55255	4.6
493.38812	57.1
494.39230	6.0
528.49713	13.1
529.38403	12.5
537.40100	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	529.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.3
59.83189	0.2
60.98652	0.2
63.02364	0.3
65.60829	0.2
69.03434	1.2
71.04945	0.2
79.05480	0.9
81.03398	0.3
85.02898	0.5
89.03913	7.1
91.05457	0.4
95.04968	0.2
97.02894	0.4
107.04965	2.0
109.02899	0.3
111.04437	0.2
117.03376	8.1
118.03708	0.2
119.04974	0.3
122.04480	0.2
127.03902	0.8
130.06589	0.2
132.08115	0.4
135.04413	17.0
136.04688	0.4
145.02846	12.5
147.04390	1.3
159.09195	1.2
163.03897	100.0
164.04251	2.1
181.04849	0.3
188.07117	0.4
205.09717	0.2
233.72420	0.2
247.05876	0.2
287.05463	0.4
307.08066	0.6
325.09152	0.7
361.02200	0.5
529.26630	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
55.01872	0.2
57.03415	0.2
61.02920	0.6
63.02359	0.4
67.05514	0.4
69.03433	1.8
71.04972	0.2
71.30340	0.4
73.02898	0.4
73.23310	0.2
73.89308	0.2
79.05490	1.2
81.03402	0.9
81.07035	0.3
82.35732	0.2
82.42538	0.2
83.04982	0.4
85.02903	5.5
85.03429	0.3
89.03915	5.8
91.03962	0.2
91.05466	0.4
95.04958	0.3
97.02885	1.9
97.06517	0.3
99.04466	0.5
105.07037	0.3
107.04951	1.9
108.25718	0.2
109.02861	0.8
109.06540	0.2
117.03376	7.5
119.04910	0.3
121.10143	0.3
127.03885	1.1
135.04413	13.8
136.04680	0.3
145.02847	10.2
145.04874	1.6
146.03200	0.2
147.04387	0.4
147.11726	0.4
159.09167	0.6
163.03897	100.0
164.04233	2.2
188.06984	0.3
205.09709	0.4
325.09091	0.2
441.16550	0.2
456.31543	0.2
529.22418	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	529.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.05511	5.4
65.03926	1.8
65.83205	0.5
70.06597	0.5
71.30016	0.8
72.08154	0.6
79.05469	0.5
81.03411	0.6
83.04978	26.1
85.02902	0.8
91.05476	12.2
94.06560	0.6
95.04968	0.4
97.98656	0.5
101.06022	0.5
104.41708	0.4
107.04963	0.8
109.02881	0.8
115.50423	0.4
119.04938	25.4
120.05235	0.7
126.83006	0.5
135.70695	0.5
137.05894	0.5
140.26025	0.4
147.04402	100.0
148.04712	2.9
159.04495	0.4
165.05505	6.6
165.06885	0.8
171.04382	0.6
177.05580	0.7
183.08057	1.1
189.13789	0.6
211.07555	1.6
229.08632	3.6
247.09644	18.1
248.10031	0.7
263.12784	0.7
263.16205	0.6
265.10599	0.8
350.21832	1.5
354.07523	0.5
529.17749	1.8
529.25739	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.3
53.03942	5.8
55.01873	16.7
55.05513	18.0
56.42463	0.6
57.03432	6.9
57.07080	1.3
59.05003	2.1
61.94270	0.6
63.01392	0.6
63.56880	0.6
65.03932	3.8
67.05507	30.8
68.05856	0.7
69.03436	2.2
69.07069	100.0
70.07400	1.8
71.01366	1.0
71.04993	3.0
71.07560	1.3
71.07892	0.8
77.03899	1.4
79.05495	45.7
80.05824	1.1
81.03413	16.7
81.07056	44.6
83.01342	6.8
83.04984	16.4
83.08615	9.7
85.02900	2.7
85.06557	2.6
91.05479	48.2
92.05832	1.2
93.07043	40.8
95.01327	4.3
95.04977	12.1
95.08604	12.1
96.91846	0.7
97.02902	3.2
97.06531	23.3
97.10197	2.2
99.04465	2.3
99.08096	1.5
103.05460	1.7
105.04502	1.5
105.07030	19.6
106.07419	0.8
107.04955	34.6
107.08589	18.5
109.06518	31.4
109.10146	4.8
111.04469	2.5
111.08082	1.7
115.05494	1.8
116.06271	0.9
117.07023	12.3
119.08575	13.4
121.06490	4.5
121.10155	18.9
123.04416	1.1
123.08067	7.7
123.11776	0.9
125.06013	1.8
125.09636	2.9
125.10452	0.6
127.07552	0.7
129.07004	5.4
130.07794	1.2
131.04932	1.2
131.08571	25.4
133.06502	3.4
133.10121	16.4
133.11050	1.2
135.08055	10.0
135.11691	14.7
137.09679	2.6
141.07062	1.1
143.08586	3.5
145.06549	2.1
145.10124	19.6
147.08109	3.2
147.11737	2.7
149.09621	38.0
151.07507	0.9
151.11172	29.2
153.09119	0.8
153.12778	3.4
155.08583	2.9
159.08102	2.5
159.11732	1.9
161.09680	1.8
161.13239	0.9
163.11176	22.7
163.12462	1.2
165.09109	1.2
169.10161	1.7
171.10182	1.9
171.11644	0.9
173.09636	4.2
173.13295	1.1
175.11243	1.4
177.09081	6.4
181.12253	5.8
183.10109	0.8
183.11609	1.0
187.11258	2.1
187.14827	1.3
191.10707	4.2
195.10223	2.2
201.16446	4.0
209.09888	1.2
209.11728	8.0
211.14885	1.6
219.17482	2.3
227.12703	4.7
229.15915	4.3
247.16931	10.1
256.26532	0.8
265.15314	1.1
265.18106	5.1
275.20148	1.5
283.15396	46.0
284.15826	1.9
291.19580	3.2
321.20547	1.8
379.21124	8.7
391.21140	29.0
392.21558	1.7
408.06793	0.7
437.26761	1.2
511.31018	2.8
529.31616	17.8
530.31738	1.5
531.91333	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.1
51.29422	0.6
53.03945	4.3
55.01873	20.1
55.05511	19.2
57.03438	4.8
57.07057	1.0
59.04997	2.6
61.74556	0.6
65.03937	2.8
67.05505	31.0
67.39554	0.6
69.03442	1.8
69.07068	100.0
70.07400	1.2
71.01364	1.3
71.05009	4.6
71.08622	0.6
71.29784	0.6
71.30157	0.6
77.03917	0.7
79.05493	48.7
80.05821	1.1
81.03416	14.6
81.03865	1.1
81.07056	48.4
82.07392	0.9
83.01334	7.3
83.04982	16.3
83.08625	9.2
85.02903	2.4
85.06556	1.9
91.05479	48.7
92.05844	1.1
93.07041	41.1
95.01310	3.5
95.04965	14.2
95.08602	13.5
97.02910	3.0
97.06532	21.2
97.10168	2.5
99.04451	2.1
99.08105	1.1
101.05968	0.7
103.05476	1.9
105.04511	1.6
105.07033	20.6
106.07373	0.8
107.04954	33.5
107.08591	19.2
107.09284	1.1
109.02892	1.1
109.06516	36.3
109.10126	4.5
110.06876	0.9
111.04453	2.7
111.08083	2.3
115.05444	3.2
116.06197	1.2
117.07015	13.7
118.07330	0.7
119.08580	13.1
121.06544	4.5
121.10137	17.8
123.04457	1.1
123.08068	6.8
125.06021	1.9
125.09636	3.3
128.06207	1.5
129.07001	4.4
130.07802	2.2
131.04932	1.1
131.08566	24.9
132.08867	0.6
133.06493	3.8
133.10138	16.5
135.04562	0.9
135.08054	11.3
135.11691	12.0
137.09637	2.4
141.06996	1.7
143.08575	3.0
145.06525	1.9
145.10114	20.7
147.08052	3.0
147.11717	2.4
149.09618	37.2
150.09880	0.8
151.07509	1.1
151.11183	27.9
153.12709	4.3
155.08571	2.6
157.06483	0.7
157.10208	1.6
159.08095	3.1
159.11740	3.4
161.09613	2.2
161.13321	1.0
163.11176	24.5
165.09193	2.4
167.08867	0.7
169.10178	1.5
171.10211	1.5
171.11630	0.8
173.09590	4.3
173.13281	1.0
177.09120	4.7
179.10686	0.8
181.12222	4.4
183.11635	0.8
185.13228	1.0
187.11224	2.7
187.14867	1.2
191.10611	3.8
195.10185	1.7
201.16400	4.7
203.17993	0.9
209.11700	6.5
210.12099	0.7
211.14774	1.3
219.17482	2.2
227.12662	4.5
229.15819	4.6
247.16954	10.4
265.15292	1.0
265.17899	5.2
275.20123	1.3
283.15381	38.1
284.15787	1.4
311.15155	0.8
321.20465	1.3
340.52740	0.6
379.21109	6.3
391.21143	24.6
392.21481	0.9
453.85693	0.7
511.30774	2.4
529.31354	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	529.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	2.0
53.03951	3.4
55.01871	5.7
55.05515	20.8
57.03238	1.1
57.03442	11.0
57.07071	3.7
58.13909	1.5
59.04997	1.7
60.14240	1.4
62.62736	1.6
65.03925	2.8
67.05510	57.8
69.07078	21.4
71.04993	7.6
71.08642	2.3
71.28733	2.0
77.03925	1.8
79.05492	58.3
81.03423	7.4
81.07056	52.8
82.07401	1.6
83.04990	8.3
83.08624	12.4
85.06535	4.7
85.22832	1.5
91.05481	70.6
92.05834	1.8
93.07046	46.9
95.04981	9.4
95.08609	36.1
95.09173	3.2
97.06519	6.7
97.10161	4.4
99.08106	2.9
103.05520	1.9
105.07034	56.4
107.04974	11.3
107.08595	30.5
109.06528	6.6
109.10155	12.0
111.08085	5.1
115.05482	6.0
116.06286	1.9
117.07016	22.6
119.08588	46.6
121.06503	4.6
121.10152	22.0
123.08060	3.4
123.11654	3.2
125.09660	2.4
126.14838	1.6
127.78898	1.3
128.06239	7.3
129.05545	1.7
129.07010	24.5
130.07819	2.5
131.08572	46.2
133.06517	4.7
133.10129	40.5
133.11061	2.8
135.08058	9.1
135.11690	14.5
137.09644	2.7
139.11176	1.7
141.06993	10.8
142.07774	6.5
143.08577	28.1
144.09296	1.6
145.06503	2.9
145.10126	39.8
145.11258	2.4
147.08040	2.4
147.11671	27.3
149.09622	9.7
149.13271	6.6
151.11197	3.7
153.07004	2.7
154.07764	3.2
155.08556	23.8
156.09288	3.8
157.10127	29.8
158.10658	2.1
159.08063	3.4
159.11696	23.2
160.12074	1.4
161.09637	8.6
161.13239	15.4
163.11150	4.4
165.07045	1.7
166.07925	1.6
167.08582	9.3
168.09312	3.5
169.10135	24.2
170.10741	2.1
171.08020	2.4
171.11684	31.0
173.13254	14.9
175.11276	3.7
175.14835	6.5
177.09161	2.3
177.12674	1.5
179.08577	4.2
179.10602	3.6
180.09331	2.2
181.10106	17.0
182.10764	2.3
183.10191	2.4
183.11705	24.5
184.12328	2.6
185.09654	2.8
185.13239	31.2
185.14774	2.3
187.11209	5.1
187.14809	6.6
189.12784	2.9
189.16432	4.6
191.14293	1.5
193.10130	4.9
194.10811	3.2
195.00325	4.2
195.10229	2.2
195.11714	16.5
197.13268	15.4
199.11142	3.5
199.14819	9.7
201.12712	2.9
201.16371	4.3
203.14360	4.3
203.17966	3.5
207.11685	7.3
207.13628	3.4
209.13266	14.2
211.14880	9.7
213.12891	2.7
213.16396	16.2
215.17880	2.6
219.11742	2.1
219.13884	2.6
221.13245	5.8
223.11208	2.0
223.14862	6.8
225.12784	2.5
225.16464	3.5
227.18048	2.4
229.15833	1.7
231.17455	12.8
231.21129	1.7
233.13358	2.3
233.18867	1.8
235.14853	4.5
237.16383	4.3
239.14325	2.9
239.18019	2.9
241.19521	6.8
247.14781	2.6
247.17007	3.9
249.16612	3.4
251.12709	3.0
251.17918	3.8
253.14252	10.6
256.26422	3.6
257.18973	3.0
259.18048	2.6
259.20575	15.2
261.22162	2.0
263.17966	2.5
279.20898	1.6
281.17459	3.3
285.22189	2.4
289.19556	2.2
295.20599	3.8
297.22076	2.4
299.20172	2.1
305.21161	2.7
307.20798	2.4
309.21960	2.8
311.20248	2.4
313.21564	2.7
321.22043	2.3
325.21671	5.2
331.22867	1.9
333.24277	4.9
335.23578	2.6
339.23090	3.7
341.24893	2.0
343.22571	1.8
353.24359	2.7
363.22650	1.7
391.30042	9.5
401.28552	11.6
409.31122	11.3
417.26334	1.9
419.29407	34.2
420.29935	4.2
437.30457	26.6
438.30951	2.1
455.31674	14.8
484.35300	2.0
493.32922	8.8
499.33829	2.0
501.36145	7.9
511.34238	100.0
512.34424	8.6
529.27051	7.2
529.35211	60.0
530.35419	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	529.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.2
55.01876	1.3
55.05274	2.0
55.05513	21.3
57.03439	4.6
57.07075	5.1
63.00054	1.7
65.03935	3.1
67.05506	53.3
69.07069	22.1
70.06588	3.4
70.33518	1.1
71.04984	3.2
71.08640	3.7
73.02932	1.1
77.03895	1.4
79.05492	42.1
81.03419	2.4
81.07059	54.9
83.04996	3.5
83.08631	10.6
85.06558	2.0
87.04455	2.0
88.07616	2.3
89.06032	1.6
91.04907	1.9
91.05485	32.8
91.59581	1.2
93.07045	45.0
95.04986	5.0
95.08049	2.4
95.08611	31.1
97.06548	4.4
97.10181	5.3
99.08104	1.8
105.04537	1.3
105.07038	20.7
107.04961	2.6
107.08600	24.5
109.06544	1.6
109.10161	11.9
111.08101	4.9
115.05469	1.5
117.07019	11.8
119.08575	18.9
121.10123	14.1
123.08118	2.4
123.11717	3.9
125.09679	1.9
128.06273	1.4
129.06996	8.4
131.08574	23.8
132.10229	1.5
133.10153	15.4
135.08113	2.4
135.11693	11.4
141.07059	1.7
143.08540	9.2
145.10120	16.3
147.11708	6.8
149.13254	12.3
155.08597	4.3
157.10120	9.1
159.11731	11.4
161.09566	1.1
161.13295	4.4
163.14862	1.9
167.08548	1.4
169.10117	5.8
171.11719	6.9
173.13261	6.1
175.14912	1.7
177.12816	2.4
181.10162	3.4
183.11784	3.3
185.13318	4.0
187.14861	4.3
195.11972	2.2
195.13879	5.0
197.13185	2.7
199.14857	2.3
201.16396	2.7
205.46889	1.3
209.13261	2.2
211.14781	2.6
213.16397	2.1
215.18123	1.6
223.14850	1.8
244.22836	1.7
245.23152	1.5
248.12326	1.2
256.26331	1.9
261.22232	4.4
283.26385	2.2
284.26675	2.4
289.10443	1.3
299.23792	1.5
311.23566	2.1
311.29382	2.1
312.29980	1.9
317.24661	2.3
355.26752	1.3
419.32999	2.5
437.34259	10.2
455.35190	5.8
473.36276	3.0
511.37613	5.8
528.50098	3.3
529.38904	100.0
529.50244	15.0
530.38904	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	530.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	13.4
55.01864	12.1
57.03426	8.3
61.02921	8.2
67.05489	3.3
67.92624	3.0
68.99789	4.0
69.03430	39.0
69.07059	2.8
71.04996	7.7
71.10323	5.0
73.02925	6.0
79.05495	6.0
80.05072	3.1
81.03414	35.1
85.02904	100.0
85.25721	2.8
87.00828	48.3
87.04453	2.8
91.05476	6.1
93.07034	4.7
95.04958	4.8
97.02888	50.1
97.06527	37.3
99.04454	16.6
105.01863	50.1
107.08593	4.0
108.04439	4.0
109.02877	45.1
110.81333	2.9
117.01854	4.2
119.04942	7.1
119.08589	6.1
121.06521	3.3
124.36591	2.7
127.03918	84.9
129.01888	4.7
133.10181	3.2
135.08054	3.5
139.07545	5.3
145.04959	37.3
147.02847	4.3
147.04404	21.2
147.08035	7.7
148.04753	8.5
151.25937	2.8
159.02847	19.5
159.11739	5.0
161.09598	5.1
163.03891	11.1
167.31796	3.1
187.11235	3.4
189.08971	4.3
213.03934	7.1
229.12224	4.2
231.05016	26.2
247.13313	36.3
249.06001	3.9
265.14383	5.4
280.09109	3.1
287.05600	3.7
411.09302	3.2
495.18375	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	530.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	15.2
54.77103	1.9
55.01884	11.7
55.05522	2.5
57.03434	9.9
60.71791	1.9
61.02926	7.4
67.05505	4.9
68.99789	4.9
69.03428	60.3
71.04999	6.8
72.39404	2.1
73.02903	11.5
79.05502	4.6
80.09239	2.1
81.03422	41.5
81.07037	4.0
83.01357	3.0
83.04990	3.4
85.02906	100.0
87.00834	42.6
91.03966	3.4
91.05475	4.4
91.94497	2.3
93.07050	4.9
95.04960	2.9
97.02894	60.6
97.06549	7.5
98.03257	2.6
99.04464	21.6
105.01868	46.1
105.07044	4.0
107.08582	2.7
108.04478	5.5
109.02884	44.7
115.03974	3.1
117.01858	4.2
121.06523	3.3
121.10139	2.4
126.05529	3.8
127.03911	79.9
129.01855	5.1
131.08566	2.5
133.10033	2.9
135.08057	5.0
137.05940	2.8
137.09714	3.2
145.04964	40.4
145.06207	3.7
145.06422	3.0
147.02910	3.7
147.08031	4.0
149.09624	9.5
159.02888	23.9
159.11688	5.6
161.09645	2.4
163.03935	2.8
163.07516	15.8
173.13390	2.0
176.86302	2.1
181.08578	3.3
187.11189	7.8
189.09109	4.2
201.12746	3.1
205.12222	6.8
207.10159	16.9
211.11250	2.9
213.03928	3.2
219.13904	3.1
229.12267	8.0
231.04999	15.5
247.13303	52.9
248.07695	2.8
248.13727	3.1
265.14423	8.5
267.01465	2.5
280.68756	2.5
347.12415	2.2
471.32056	2.3
495.18607	7.6
530.22711	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	530.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	12.8
55.01870	8.8
55.05511	2.8
57.03437	8.8
57.10062	2.0
58.06598	5.5
61.02925	8.6
62.77172	1.9
67.05497	3.2
68.99791	4.7
69.03432	77.9
69.05110	6.0
69.05534	12.9
69.07074	2.4
71.04991	9.6
73.02921	7.5
79.05499	5.5
79.38077	1.8
81.03423	37.9
83.04984	6.0
85.02905	100.0
85.71364	2.0
87.00828	47.5
87.04469	2.6
91.05482	4.3
93.07037	5.7
95.08600	2.4
97.02889	55.9
97.06557	5.3
98.23352	4.8
99.00880	2.2
99.04448	21.8
105.01863	44.1
105.07046	3.9
107.08585	3.6
108.04483	6.0
109.02882	48.1
109.06553	2.2
111.04474	3.4
117.01852	4.4
117.07040	3.5
117.39857	2.1
119.08566	6.8
121.06550	4.7
121.10134	2.6
126.05502	2.7
127.03910	84.6
129.01831	5.2
133.10168	4.8
135.08052	9.4
143.08534	2.9
144.10254	2.1
145.04973	34.8
145.06464	6.8
145.10126	3.6
147.02902	5.6
147.08055	4.2
149.09576	14.2
153.12788	3.7
159.02913	20.8
159.08165	2.5
159.11717	5.5
161.09572	2.5
163.03799	2.2
163.07545	24.8
187.11122	9.5
189.09145	8.5
201.12735	5.5
205.12202	5.7
206.75522	2.2
207.10173	27.4
211.11122	2.0
213.03905	6.9
219.13744	3.0
229.12253	10.3
231.05002	23.2
236.14943	15.9
247.13293	92.1
248.07597	2.3
248.13757	5.3
249.06006	2.9
265.14359	11.5
412.15067	2.4
430.27927	2.7
477.17621	3.6
495.18677	17.4
512.35760	8.3
530.26410	4.7
530.36798	6.2
531.24969	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	530.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	5.0
53.03940	3.7
55.01867	8.0
55.05515	14.1
55.58281	1.9
57.03434	15.3
58.06595	8.1
59.04992	3.4
59.07370	2.2
59.22995	1.7
67.05511	15.7
69.03409	2.6
69.07065	4.9
71.01343	3.1
71.29219	2.5
73.02908	3.7
79.05492	59.0
81.03413	10.3
81.07056	20.1
83.04971	5.1
83.08615	11.3
85.02894	3.6
85.06528	2.5
85.64503	2.1
87.04477	2.0
91.05486	26.9
93.07036	15.5
95.04967	7.7
95.08612	11.3
96.36977	1.7
97.02879	4.9
97.06533	16.2
99.00835	23.3
99.04434	2.2
100.93523	1.7
103.05426	3.0
105.07033	100.0
106.07398	2.2
107.04935	8.2
107.08601	16.2
109.02872	8.2
109.06504	7.0
109.10139	4.3
111.04429	4.2
111.08074	2.8
115.03910	3.8
115.05466	2.7
117.07004	5.2
118.09524	1.7
119.08588	8.1
121.06496	6.9
121.10085	2.2
123.04412	2.8
123.08061	7.4
123.11752	3.0
127.03945	2.7
129.07048	1.9
131.08586	4.5
133.06494	32.5
133.10133	25.2
134.10513	1.7
135.04346	2.1
135.08040	7.5
135.11705	2.2
137.05983	3.7
139.07585	2.2
143.08574	6.0
143.49532	1.7
147.08008	2.5
151.07561	40.0
151.11179	7.3
161.09589	14.9
165.09122	2.2
171.08112	3.0
179.07048	4.6
179.10725	9.0
189.05493	2.1
189.09113	10.4
189.11284	2.0
196.91631	1.8
207.10173	3.8
210.78665	1.7
215.09102	2.7
218.19164	2.2
225.11154	13.1
227.12834	2.1
233.05745	2.2
236.14969	17.9
237.15343	11.2
238.15416	5.3
243.12193	3.3
253.10663	2.1
255.12082	2.4
267.16052	2.0
271.11768	85.3
272.12146	3.9
272.15167	1.8
281.13763	4.5
299.14917	69.9
300.15146	3.1
311.12631	3.4
355.15256	2.0
432.28473	2.2
444.97733	2.0
463.23215	4.2
494.33945	3.5
495.22266	47.8
495.29425	2.3
496.22037	3.3
511.34702	2.0
512.34753	7.4
530.34430	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	530.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.5
55.05512	10.8
55.62464	2.2
57.03445	13.3
57.03679	2.3
61.02935	3.9
67.05505	26.1
69.03425	6.0
69.07071	8.8
70.06602	4.0
71.04990	4.6
71.29836	3.7
71.99628	2.2
76.69057	2.7
79.05491	23.1
81.03416	11.1
81.07060	20.3
82.87786	2.5
83.04990	18.0
83.08624	4.0
84.04474	2.6
85.02898	8.4
86.09728	2.6
87.88145	2.5
91.03954	2.7
91.05479	13.2
93.07043	22.8
95.04977	8.2
95.08605	9.9
97.02905	16.1
97.06541	6.6
97.83138	2.3
99.04453	3.5
99.82975	2.4
103.04003	3.3
105.07045	4.8
107.04977	7.7
107.08584	11.2
109.02911	2.9
109.06525	2.8
109.10159	11.6
110.09627	2.6
111.04425	23.4
117.07049	4.4
119.04952	5.9
119.08588	8.5
121.10135	16.3
123.08073	3.4
123.11733	3.0
125.05986	4.2
129.07007	2.8
131.08566	5.2
133.10234	2.9
135.08069	2.9
135.11696	9.2
137.05963	5.9
138.09151	10.9
139.11183	8.4
145.10100	8.5
147.04387	16.1
148.04707	6.3
149.09645	4.8
163.11191	13.2
167.10738	3.1
169.08728	2.8
173.09596	6.9
181.12299	3.2
191.10591	11.3
209.11728	100.0
210.12076	2.4
218.11266	2.7
227.12784	22.0
229.14467	6.7
241.14333	13.2
247.10664	3.3
265.14410	4.4
283.15393	91.8
284.15878	3.8
293.11340	22.4
301.16483	24.5
315.18219	3.1
319.17413	4.6
387.15656	2.7
396.22357	2.5
445.20645	3.6
512.20557	8.7
513.19830	3.8
531.20966	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	530.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.5
55.05512	10.8
55.62464	2.2
57.03445	13.3
57.03679	2.3
61.02935	3.9
67.05505	26.1
69.03425	6.0
69.07071	8.8
70.06602	4.0
71.04990	4.6
71.29836	3.7
71.99628	2.2
76.69057	2.7
79.05491	23.1
81.03416	11.1
81.07060	20.3
82.87786	2.5
83.04990	18.0
83.08624	4.0
84.04474	2.6
85.02898	8.4
86.09728	2.6
87.88145	2.5
91.03954	2.7
91.05479	13.2
93.07043	22.8
95.04977	8.2
95.08605	9.9
97.02905	16.1
97.06541	6.6
97.83138	2.3
99.04453	3.5
99.82975	2.4
103.04003	3.3
105.07045	4.8
107.04977	7.7
107.08584	11.2
109.02911	2.9
109.06525	2.8
109.10159	11.6
110.09627	2.6
111.04425	23.4
117.07049	4.4
119.04952	5.9
119.08588	8.5
121.10135	16.3
123.08073	3.4
123.11733	3.0
125.05986	4.2
129.07007	2.8
131.08566	5.2
133.10234	2.9
135.08069	2.9
135.11696	9.2
137.05963	5.9
138.09151	10.9
139.11183	8.4
145.10100	8.5
147.04387	16.1
148.04707	6.3
149.09645	4.8
163.11191	13.2
167.10738	3.1
169.08728	2.8
173.09596	6.9
181.12299	3.2
191.10591	11.3
209.11728	100.0
210.12076	2.4
218.11266	2.7
227.12784	22.0
229.14467	6.7
241.14333	13.2
247.10664	3.3
265.14410	4.4
283.15393	91.8
284.15878	3.8
293.11340	22.4
301.16483	24.5
315.18219	3.1
319.17413	4.6
387.15656	2.7
396.22357	2.5
445.20645	3.6
512.20557	8.7
513.19830	3.8
531.20966	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	530.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.5
55.05519	2.3
57.03439	8.4
58.06602	29.7
59.07381	9.0
60.08167	8.5
67.05228	0.4
67.05510	4.1
69.07057	1.8
69.12106	3.0
71.08635	0.9
73.02908	0.9
75.04475	3.8
76.93854	0.4
79.05051	0.6
79.05491	4.2
81.03415	4.2
81.07055	4.5
83.04986	1.7
83.08615	1.6
84.08161	0.7
85.02906	4.4
85.06567	0.7
87.04466	5.0
91.05478	4.0
93.05489	0.7
93.07056	3.6
95.04961	2.4
95.08614	1.7
97.06525	0.8
97.10198	0.7
99.08078	0.6
101.06016	0.7
102.05525	0.6
105.05507	1.0
105.07038	2.2
107.04974	0.4
107.08589	1.7
109.06506	0.6
111.04481	0.5
111.08079	0.9
113.06005	0.6
117.07001	1.5
119.08594	1.7
121.10103	0.6
129.06995	0.8
131.07027	2.1
131.08563	1.1
133.10130	1.2
135.08066	0.8
144.10199	7.7
147.11699	1.4
149.09631	0.6
157.10146	1.0
158.88670	0.5
162.11258	4.2
175.11154	0.8
193.12253	4.1
211.13342	4.6
218.13914	0.8
236.14926	100.0
237.15291	2.7
267.15915	1.5
285.16980	3.0
412.26959	6.8
416.26569	0.8
430.27982	26.2
431.28210	1.8
446.27444	0.6
476.33560	2.7
477.28577	0.6
494.34756	16.0
494.41895	0.9
495.29272	1.6
495.35330	1.2
512.35846	29.9
513.35883	1.6
530.36914	9.7
531.25244	1.1
531.37390	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71216	0.2
53.03954	0.3
54.78918	0.2
55.01876	0.8
55.05526	1.5
56.05037	0.3
57.03436	6.8
58.06599	29.0
59.05016	0.2
59.07380	10.0
59.93940	0.2
60.08164	9.0
67.05503	3.2
69.07070	1.1
69.11029	1.0
69.11448	0.5
71.04999	0.5
71.08633	0.7
73.02917	1.0
75.04478	3.9
76.50827	0.2
79.05493	2.4
81.03420	0.4
81.07048	2.1
83.04993	0.4
83.08618	0.6
84.08144	0.9
85.02898	2.5
87.04467	4.8
91.05469	1.9
93.05521	0.4
93.07051	2.4
95.04998	0.6
95.08604	1.2
97.02911	0.2
97.06548	0.6
101.06041	0.3
102.04919	0.2
102.05568	0.6
103.03945	0.8
105.05509	1.0
105.07030	1.3
107.08604	0.7
109.10157	0.5
113.06033	0.5
116.94891	0.2
117.07034	0.6
117.07874	0.2
119.08599	0.7
121.10162	0.5
129.05501	0.3
129.06972	0.5
130.08658	0.4
131.07043	2.5
131.08601	0.6
133.10144	0.6
135.07973	0.2
135.11734	0.3
144.10194	7.9
144.11337	0.4
159.06645	0.4
161.13298	0.3
162.11261	4.1
163.11436	0.3
179.37373	0.2
200.12880	0.5
218.13905	0.7
226.48186	0.2
236.14915	100.0
237.15279	2.5
321.04401	0.2
390.24863	0.4
398.25186	0.3
412.21429	0.3
412.26898	5.7
416.26343	1.3
430.28000	17.6
431.28583	1.2
446.28006	0.3
476.33640	2.6
477.14212	0.2
494.34760	13.9
495.35092	1.2
504.25223	0.2
512.35828	24.9
513.36310	1.7
530.36877	11.5
531.36462	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95880	0.3
53.03948	0.4
54.78216	0.3
55.01869	1.2
55.05511	1.7
57.03439	5.7
58.06600	24.7
59.06920	0.4
59.07383	9.0
60.08163	7.0
63.90763	0.3
67.05507	4.2
69.07068	1.7
69.50414	0.6
69.50825	0.9
73.02911	1.0
75.04488	2.9
79.05486	3.7
81.03405	0.8
81.07050	3.7
83.04973	0.7
83.08608	0.5
84.08141	0.7
85.02909	2.3
87.04462	4.3
91.05480	3.7
92.05817	0.4
93.05515	0.6
93.07043	3.3
94.07350	0.3
95.04964	1.1
95.08595	1.9
97.06495	0.5
97.10146	0.4
100.11241	0.5
102.05534	0.9
103.03927	0.8
105.05497	0.9
105.07030	1.9
107.04946	0.3
107.08604	1.7
109.06518	0.5
109.10113	0.4
113.05998	0.8
117.07011	1.4
117.07838	0.7
118.07298	0.4
119.08587	1.5
120.08875	0.4
121.06484	0.3
121.10143	0.5
123.08091	0.3
125.09647	0.4
129.06985	0.5
130.08638	0.7
131.07065	1.6
131.08560	0.9
133.10106	0.8
135.08026	0.8
135.11681	0.7
136.08385	0.5
143.08556	0.4
144.10202	8.4
144.11333	0.5
145.10117	1.0
147.11662	0.8
149.05974	0.4
157.10112	0.6
159.06541	0.4
159.11696	0.4
160.09715	0.4
161.13251	0.4
162.11255	4.3
163.11198	0.3
169.10147	0.5
169.39490	0.3
171.11566	0.3
175.11186	0.3
200.12784	0.6
218.13829	0.8
234.13400	0.6
236.14917	100.0
237.15245	2.0
241.02025	0.3
249.10892	0.5
275.19968	0.4
276.20215	0.5
290.15933	0.9
305.13553	0.3
318.22610	1.3
412.26923	4.7
414.28223	0.8
424.26993	2.3
430.27951	0.6
442.27985	6.3
443.28305	0.3
476.33441	1.1
478.35251	3.9
494.27884	0.4
494.34772	7.5
495.35217	0.6
496.36328	15.9
497.36469	1.6
512.35931	6.9
513.35852	0.9
530.31824	1.8
531.25745	3.9
531.33118	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	5.5
55.01845	4.6
55.05536	30.1
55.56794	3.9
57.03434	10.7
57.06878	3.6
57.07079	37.5
64.60460	4.1
67.05503	51.7
69.07059	16.8
71.08636	25.2
79.05495	33.1
81.03411	19.3
81.07056	50.9
83.04977	14.0
83.08614	12.0
85.06554	8.2
85.10170	15.5
85.57621	4.4
87.04472	50.3
91.05474	38.4
93.07051	30.6
95.04958	10.0
95.08620	33.4
97.06516	7.3
97.10143	9.3
101.06025	20.6
105.00052	5.1
105.07036	14.4
107.08598	11.9
109.10165	19.6
111.04436	18.8
119.08576	20.5
121.06390	4.8
121.10132	11.8
129.05466	16.9
131.08539	11.3
133.10176	7.8
137.09624	9.3
140.06053	4.3
147.06546	11.2
147.07988	10.4
147.11700	6.2
149.13300	6.0
165.09142	9.1
176.42508	5.0
183.10231	5.5
236.14908	6.5
313.27377	100.0
314.27600	4.8
423.80310	5.4
530.38580	21.5
531.40204	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	530.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07622	0.3
55.05473	1.3
57.03438	4.5
57.07076	5.8
58.06601	25.9
59.07380	8.6
60.08164	9.2
67.05499	2.7
69.07063	2.7
71.08630	3.3
73.02887	0.7
75.04474	3.0
76.29780	0.4
79.05459	1.2
81.03377	0.5
81.07050	4.5
83.08570	1.6
84.95425	0.4
85.02912	1.8
85.10193	1.8
87.04471	6.2
91.05466	0.7
93.05460	0.5
93.06996	1.0
93.17892	0.3
95.04948	0.4
95.08609	3.2
97.10123	1.4
103.03938	0.7
105.00016	0.4
105.05446	1.0
105.06981	0.4
107.08585	0.5
109.10114	1.3
111.11656	0.7
117.07031	0.6
117.43991	0.3
119.08539	0.7
121.10161	0.4
123.11649	0.6
131.06992	1.5
131.08496	0.4
133.10063	0.5
144.09131	0.4
144.10201	6.2
162.11244	1.3
218.13863	0.5
236.14919	100.0
237.15253	2.7
271.53738	0.4
276.91156	0.4
332.29031	0.4
339.52963	0.4
369.33664	0.9
468.44052	0.7
511.43997	0.4
512.35913	0.8
512.43146	12.6
513.43701	0.9
518.25183	0.4
530.44214	85.4
531.44708	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	531.2562
Annotation	Roridin D
Peak:m/z	Relative Intensity
55.05506	1.4
55.61739	0.5
57.03436	0.8
67.05507	1.6
70.07934	0.5
79.05501	1.6
81.03409	1.1
81.07044	1.5
83.05014	1.0
83.08591	0.7
91.05506	1.0
93.07045	2.0
102.23508	0.5
105.07068	0.9
107.04959	0.7
107.08607	1.1
117.07083	0.7
121.10152	0.9
123.08127	0.7
129.33546	0.5
131.08571	0.9
135.11668	0.6
145.10139	1.1
163.11127	2.4
249.11003	10.8
261.02005	0.6
283.15454	2.2
305.13586	15.3
305.16837	0.9
342.20477	0.5
355.89114	0.5
531.25671	100.0
532.26038	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	531.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	5.8
55.05503	17.5
57.07066	7.0
65.03958	4.0
67.05511	37.8
69.07060	15.5
69.11681	28.4
71.08620	18.8
74.65660	3.4
79.05495	30.8
81.03422	7.0
81.07050	33.5
83.08591	14.6
91.05483	33.4
93.07028	25.9
95.04929	7.4
95.08611	19.9
97.06515	9.6
97.10164	5.9
99.08096	11.6
105.00113	7.7
105.07013	22.0
107.04971	6.1
107.08595	11.2
109.06509	8.6
109.10153	14.4
117.07005	14.7
119.08582	19.9
121.10121	10.6
129.07056	5.7
131.08582	18.3
133.10126	15.2
135.11678	11.4
138.05435	4.9
143.08606	8.7
145.10123	19.4
149.09576	5.1
151.11145	7.8
157.10124	9.1
159.11670	7.1
161.13261	9.4
163.11176	6.8
169.10138	6.3
173.13248	5.7
175.14926	4.0
181.10091	5.2
185.13240	5.4
187.14737	5.0
215.94365	4.5
255.15916	9.3
259.20462	10.0
283.15366	10.9
421.31009	9.6
439.31979	4.8
513.35272	18.3
531.27704	100.0
531.36658	21.0
532.28180	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	531.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
55.01877	2.5
55.05513	9.2
57.03432	1.7
57.07063	0.9
58.06593	2.8
59.07379	1.6
65.03957	1.0
67.05508	12.6
69.03433	2.0
69.07071	5.0
69.40569	4.7
71.04975	2.1
71.08629	2.0
79.05495	14.6
79.05918	1.4
81.03427	3.4
81.06020	0.7
81.07050	9.5
83.05001	2.2
83.08619	5.4
85.02920	1.0
91.05483	13.3
91.65417	0.7
93.07045	9.5
95.04981	3.2
95.08604	5.5
97.06557	1.7
97.10178	5.5
99.08123	2.3
103.05469	1.0
105.07024	8.9
107.04979	2.5
107.08601	7.2
109.06516	1.4
109.10170	2.9
111.08083	1.6
117.07034	6.7
119.08591	6.7
121.06507	2.3
121.10173	2.4
123.08067	1.2
125.09629	3.6
126.06422	0.8
128.06242	1.0
129.06998	4.1
131.08565	5.3
133.10133	6.2
135.08073	2.3
135.11716	3.0
137.09625	1.2
141.06955	1.2
142.07780	1.2
143.08572	3.5
145.10152	5.3
147.08032	1.5
147.11691	4.8
149.09660	1.7
149.13333	0.9
151.11189	2.0
155.08554	1.8
157.10152	2.5
159.11725	3.6
161.13269	1.2
162.11307	0.9
163.07471	1.1
163.11205	1.9
167.08603	1.5
168.72021	0.8
169.10149	2.4
169.66982	0.8
171.11620	3.9
173.09618	1.2
173.13309	2.1
175.11177	1.3
176.52274	0.8
181.10199	1.2
183.11757	2.5
185.13329	3.1
187.11182	1.2
187.14772	0.9
189.11238	3.1
189.54202	0.8
195.11751	1.8
197.13217	0.9
199.11176	1.5
199.14743	0.8
209.11627	1.0
213.16440	1.7
227.12839	3.4
231.17409	1.7
236.14986	3.3
256.86292	0.8
259.20636	1.7
269.19058	2.5
283.15414	1.6
287.20132	1.4
367.24490	11.3
393.27930	0.9
421.27271	1.7
438.25607	1.8
439.28271	1.5
457.29102	1.0
495.31378	1.1
513.31689	9.6
531.29321	100.0
532.29681	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	531.2931
Annotation	Leu Asn Arg Glu
Peak:m/z	Relative Intensity
54.44717	1.9
55.05498	5.5
57.07086	3.5
67.05514	12.8
69.07063	3.0
75.33634	2.0
79.05479	7.4
81.03387	2.0
81.07069	10.6
83.08604	3.5
87.27887	1.9
90.42119	1.9
91.05480	9.3
93.06532	1.9
93.07038	10.9
95.04958	3.6
95.08607	6.7
97.06531	2.6
102.56915	1.8
105.00076	4.2
105.07038	5.8
107.08610	4.0
109.06444	2.3
109.10162	5.7
112.49878	1.8
114.14960	1.9
119.08574	2.7
121.02876	2.6
131.08594	4.7
133.10124	4.3
135.11659	3.5
145.10098	3.4
147.08064	1.9
159.11655	2.3
531.29218	100.0
531.37360	7.7
532.29779	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	531.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35422	1.7
53.03943	4.5
55.01876	12.7
55.05515	65.3
57.07080	3.3
59.05008	2.3
63.67670	1.5
67.05507	57.9
69.03429	5.5
69.07069	20.2
71.05007	10.0
71.08629	1.9
71.30099	2.3
79.05495	55.4
80.05833	1.8
81.03412	10.3
81.07055	49.0
83.04987	13.9
83.08154	2.1
83.08620	29.1
85.02900	2.9
85.06535	4.3
91.05484	57.5
93.06470	3.0
93.07045	43.3
95.04971	12.5
95.08611	26.7
97.02882	2.3
97.06541	6.5
97.09556	2.1
97.10174	41.2
99.04468	2.7
99.08093	3.2
103.05447	2.8
105.07034	49.5
107.04976	8.7
107.08602	34.7
108.20401	1.7
109.06525	8.6
109.10157	20.0
111.04406	2.1
111.08060	4.8
113.05984	1.6
115.05457	6.5
117.07021	30.3
119.08577	41.9
121.06504	5.1
121.10127	17.1
123.08060	4.1
123.11693	3.0
125.09631	36.1
128.06226	8.6
129.07004	29.7
130.07788	4.2
131.08562	43.3
133.06473	3.7
133.10132	35.6
133.11067	3.0
135.08067	9.1
135.11707	9.3
137.09567	3.2
141.07001	7.7
142.07782	6.9
143.08549	31.2
144.09337	2.5
145.06502	4.7
145.10126	37.4
147.08063	6.1
147.11699	25.4
149.09657	5.4
149.13258	2.6
153.09045	4.3
153.12721	3.1
154.07767	3.7
155.08577	15.1
156.09349	4.2
157.06577	1.9
157.10130	32.7
159.08076	4.6
159.11687	26.2
161.09624	6.4
161.13202	8.4
163.11176	10.7
165.07043	2.5
167.08568	8.9
168.09317	1.9
169.10147	15.2
170.10832	1.7
171.08060	3.1
171.11673	35.4
172.12141	2.2
173.09637	6.3
173.11835	2.9
173.13190	15.6
175.11156	6.8
175.14771	3.3
177.12910	1.8
179.08574	2.7
181.10123	8.9
181.12016	2.3
183.08069	2.1
183.11649	15.9
185.09688	4.7
185.13251	22.5
187.11185	5.3
187.14801	7.5
189.11223	23.2
189.12785	3.8
189.16324	4.2
191.10677	3.2
193.10164	4.6
195.11714	6.5
197.13318	7.1
199.11174	2.9
199.14799	6.4
201.12674	2.3
201.16426	5.2
203.14241	2.6
203.17950	3.8
207.11659	3.9
209.11536	4.0
209.13297	7.6
211.11336	1.9
211.14818	5.3
213.12798	3.6
213.16389	14.5
215.14511	1.7
215.17900	2.4
221.13254	4.6
222.13731	1.9
223.14821	3.6
225.12836	3.2
225.16394	7.6
227.12704	32.6
227.17709	2.3
228.13191	2.6
229.15956	10.4
231.17435	18.6
233.13144	2.2
235.14815	2.3
236.15125	2.0
237.16496	2.3
239.18057	2.3
241.19553	6.5
243.17473	4.9
245.13811	5.6
247.17027	4.5
249.16396	2.4
251.17938	7.8
253.19507	1.8
257.19006	3.3
259.20618	5.0
261.16345	2.7
269.18991	25.6
270.19354	3.2
271.17044	2.2
283.15421	10.7
285.18478	3.4
287.20139	17.2
303.19485	2.6
305.21204	7.5
313.17899	2.0
323.20273	4.1
343.22461	3.4
367.24622	2.3
375.26892	3.3
393.27911	6.2
403.26370	10.4
411.28906	4.3
421.27274	20.4
422.27570	3.9
438.25482	7.2
439.28323	17.4
457.29425	19.1
461.92078	1.9
485.32507	7.8
495.31094	11.7
503.33392	4.8
513.32098	100.0
514.32330	11.4
531.33966	50.1
532.32928	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	531.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	3.6
53.03938	6.9
54.12141	1.8
55.01863	12.1
55.05274	2.6
55.05514	30.0
56.05838	2.2
57.03193	1.7
57.03428	8.4
57.07063	2.2
65.03930	5.0
67.05508	56.5
69.03429	3.7
69.07072	49.8
69.26640	5.2
69.27055	9.3
71.04999	4.3
71.08615	4.1
73.06559	3.9
73.71348	2.0
77.03956	2.5
79.05495	83.1
81.03420	23.4
81.07058	56.3
83.01349	3.7
83.04981	6.1
83.08612	11.7
85.02901	4.1
85.06531	4.6
91.05482	100.0
93.07047	57.9
94.07403	2.6
95.04990	11.3
95.08614	35.8
97.06538	21.9
97.10181	4.3
99.08109	6.7
105.07033	55.5
107.04944	10.6
107.08595	42.5
109.06512	5.8
109.10167	15.0
111.08087	3.7
115.05503	6.9
117.07019	56.7
119.08583	56.1
120.08990	2.1
121.06521	3.8
121.10146	18.0
123.08005	4.3
123.11694	3.6
125.05999	7.5
125.09596	5.8
128.06238	8.0
129.06998	26.1
130.07814	3.5
131.04947	2.2
131.08571	41.8
133.06531	2.7
133.09209	3.8
133.10136	38.4
133.11090	3.8
135.08054	39.0
135.11705	14.0
137.09621	7.3
141.07033	6.5
142.07791	6.1
143.07063	20.5
143.08562	24.9
144.09282	2.3
145.06534	4.3
145.10126	41.8
147.08034	2.7
147.11691	27.8
149.09634	5.4
149.13272	8.4
151.11226	2.9
153.09128	4.9
155.08585	10.0
156.09303	3.3
157.10126	21.7
158.10757	2.0
159.08037	2.7
159.11684	19.8
161.08096	5.2
161.09610	3.6
161.13260	22.8
163.07584	10.4
163.11140	5.8
163.14828	2.9
165.09073	2.2
166.07674	2.3
167.08560	4.6
168.09396	3.7
169.10181	10.4
171.11676	21.5
173.09535	3.1
173.11969	2.4
173.13245	15.9
175.11191	2.4
175.14828	7.0
177.12733	2.7
179.08551	3.3
181.08662	2.9
181.10156	5.6
183.11668	11.9
185.09631	3.5
185.13329	14.5
187.14864	8.5
189.12737	4.0
193.10181	3.0
195.11688	5.2
196.12044	2.1
197.13300	9.0
199.09705	18.8
199.11293	3.9
199.14841	12.1
201.12747	3.7
201.16443	3.9
203.14236	2.4
203.17981	2.7
207.11691	4.7
209.13329	8.2
211.14842	5.6
213.12642	2.3
213.16359	5.4
215.14243	2.8
215.18069	1.9
217.10567	3.6
223.14841	5.1
225.12817	3.6
225.16490	2.0
231.13960	2.3
231.21072	4.4
239.12854	2.4
241.15797	2.5
241.19493	10.6
243.17580	2.2
255.12263	27.7
255.15169	2.4
255.15625	1.8
257.19055	5.6
259.20587	38.5
263.57333	2.0
275.20102	5.4
277.21707	2.8
279.21140	3.8
285.18707	2.5
285.22031	3.0
297.22122	12.3
313.21567	4.9
315.23224	8.5
323.19925	2.7
331.22733	3.4
333.24271	14.9
341.21268	2.5
375.26855	5.7
387.25052	2.5
393.27634	12.9
403.26447	5.4
411.28970	6.3
421.27261	10.9
439.28174	9.6
457.29413	8.4
467.31781	4.5
485.32419	6.1
495.31171	15.9
503.33524	3.2
513.31921	66.7
514.32324	5.2
531.24756	7.6
531.32800	41.9
532.32910	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	531.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.9
51.40413	0.8
53.00294	1.1
53.03935	5.1
55.01870	13.2
55.05238	1.2
55.05511	25.9
57.03436	8.2
57.07066	2.9
59.05002	3.5
65.03947	3.5
65.59055	0.8
67.05505	32.1
68.05826	0.8
69.03422	2.2
69.07069	9.2
69.47662	4.2
71.01332	1.4
71.05003	5.0
71.08630	100.0
72.08949	1.8
73.34892	0.8
79.05491	43.8
81.03417	20.3
81.07053	49.4
82.07399	1.1
83.01336	8.6
83.04982	17.9
83.08614	15.8
85.02921	3.7
85.06540	3.5
91.05480	46.2
93.07046	34.9
95.04964	13.8
95.08606	17.9
97.02893	3.3
97.06534	7.2
97.10180	3.0
99.04458	2.8
99.08091	83.3
103.05476	1.4
105.04515	1.4
105.07033	17.9
107.04955	34.5
107.08590	18.3
109.06511	38.8
109.10160	4.6
110.06844	1.1
111.04446	2.7
111.08076	2.4
115.05451	1.6
117.07011	13.1
119.08581	15.2
121.06516	3.4
121.10141	14.0
123.08064	10.6
123.11687	1.1
125.05980	1.1
125.09682	1.7
127.11217	0.8
128.06247	1.5
129.06995	5.1
130.07787	2.2
131.04852	1.1
131.08575	8.2
133.06483	0.8
133.10133	22.9
134.65274	0.9
135.08060	7.4
135.11682	14.3
137.09616	3.3
139.11165	2.3
141.09125	0.8
143.08578	2.9
145.10129	18.8
147.08041	3.1
147.11723	3.7
149.09605	24.3
149.13249	1.0
150.09947	1.1
151.11177	52.1
152.11499	1.1
153.12735	5.2
155.08546	2.5
157.10162	2.2
161.09599	5.2
163.11179	28.4
163.12492	1.7
164.11560	1.1
167.10661	1.9
171.11763	1.1
173.09622	4.4
173.11772	2.2
181.12245	6.1
183.10219	1.0
187.11198	1.2
189.12779	1.5
191.10669	4.5
203.18016	3.0
205.19513	1.7
209.11737	8.8
221.19035	2.1
227.12755	6.5
231.17453	6.2
249.18472	11.4
265.14301	1.0
267.19516	5.1
273.18607	0.9
283.15390	48.4
284.15625	1.7
291.19647	1.1
323.22220	1.9
381.22638	14.0
391.21133	42.7
392.21417	2.8
413.85327	1.1
504.72653	0.9
513.31909	1.3
531.33423	10.9
532.33594	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	2.8
53.03941	10.1
55.01875	4.4
55.05517	29.1
57.03441	12.5
57.07078	7.9
65.03960	5.1
67.05511	98.9
69.07069	20.2
71.08637	4.3
71.28869	4.3
73.06575	2.4
79.05500	100.0
81.03426	12.3
81.07062	83.1
83.04969	13.3
83.08626	13.8
83.24702	3.2
85.06559	6.6
87.04485	11.4
91.05485	68.7
91.09653	2.6
93.07050	95.3
95.04986	23.0
95.08611	45.7
97.06548	8.1
97.10184	7.7
99.08129	4.1
105.00087	6.8
105.07040	45.3
107.04967	8.0
107.08603	32.4
109.06555	5.2
109.10153	17.0
111.08109	5.2
117.07024	19.2
118.83553	2.5
119.08593	31.9
121.06544	5.0
121.10155	33.2
123.08089	8.6
123.11721	7.7
128.69661	3.2
129.07033	11.7
131.08572	18.4
133.10144	26.5
135.08049	3.0
135.11705	23.5
137.09636	3.2
139.11130	2.4
141.07076	2.7
143.08572	14.4
145.10110	16.1
147.08089	3.2
147.11694	31.8
149.13306	8.1
155.08527	3.6
156.09177	3.2
157.10196	3.8
159.11716	12.3
161.09631	6.5
161.13272	12.3
163.11229	3.2
169.10194	4.9
171.11700	25.7
173.13264	6.4
187.14876	3.5
189.12811	7.8
193.12291	2.7
195.11845	3.3
207.13864	21.3
215.17987	9.9
228.23128	2.9
233.19019	5.4
253.14351	4.5
256.26321	4.4
279.15878	5.8
281.17572	28.3
307.22708	48.3
384.50800	2.9
495.35107	3.0
496.34067	3.0
513.35785	47.7
514.36566	4.3
531.36755	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	531.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.4
55.01876	5.9
55.05514	27.7
57.03442	11.2
57.07070	9.4
65.03931	5.8
67.05507	83.0
67.29859	2.9
68.55830	3.3
68.65587	2.9
69.07074	23.3
69.72274	15.7
70.06163	3.5
71.04980	4.3
71.08624	5.1
71.37144	3.2
73.02885	3.5
79.05495	51.2
81.03426	21.2
81.07056	65.9
83.04986	13.9
83.08621	14.5
85.06524	4.2
87.04490	10.0
91.05482	100.0
93.07045	45.9
95.04987	15.8
95.08611	49.9
97.02885	4.3
97.06520	8.5
97.10144	4.2
101.45945	3.2
105.00089	9.4
105.07034	45.5
107.04946	14.8
107.08595	25.2
109.10155	15.0
110.76552	3.3
111.08083	5.5
111.11692	3.4
117.07016	16.2
119.08597	29.3
121.06543	4.8
121.10141	22.6
123.08111	4.8
126.86630	3.2
129.07039	9.8
131.08563	25.8
133.06494	5.2
133.10117	38.3
135.08051	8.0
135.11694	16.9
137.09572	3.7
143.08557	9.5
145.10126	13.7
147.11690	6.9
149.09627	16.5
149.13240	6.6
151.11169	5.4
155.08545	4.7
157.10188	8.2
159.11716	11.4
161.09634	12.6
161.13260	6.0
171.11670	4.9
173.13287	7.0
177.09267	4.5
179.10707	12.2
183.11729	5.3
185.13187	3.9
193.12334	4.2
209.13274	3.8
243.21049	3.5
251.12724	6.4
253.14388	31.7
261.22159	8.0
277.21671	3.7
335.25726	20.2
421.31061	7.8
439.32001	5.0
457.32629	4.5
513.35791	28.1
531.37201	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	532.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98930	7.8
53.03930	8.8
55.01871	19.6
55.05515	14.2
57.03435	14.5
60.90685	8.0
67.05503	13.9
69.03428	64.4
69.07076	18.2
70.06585	9.5
71.04398	19.6
71.05001	10.4
79.05504	18.8
81.03414	37.8
81.07062	17.8
85.02905	90.3
87.00830	32.3
91.05487	25.6
93.07067	16.1
95.04970	10.7
95.08622	13.6
97.02895	60.9
97.06540	31.6
99.04444	21.8
105.01864	33.9
105.07026	30.8
107.04957	9.5
107.08588	27.1
109.02864	31.4
109.06534	22.0
119.08584	27.5
121.10107	13.4
127.03915	60.8
128.06206	7.7
131.08528	19.7
133.10165	15.3
135.08060	21.7
143.08594	38.2
145.04976	25.0
145.10167	25.9
147.08080	10.9
147.11719	11.7
157.10149	13.6
159.11678	24.8
161.09595	12.4
161.13322	11.4
171.11705	19.4
173.02376	8.2
173.09358	8.5
175.07564	10.8
175.14874	12.7
183.08046	10.5
185.13193	19.6
189.12698	9.0
203.14343	31.0
213.12720	82.3
231.13826	100.0
249.14931	19.8
259.09775	12.0
272.06302	7.5
335.22205	10.4
461.17773	11.8
479.19333	10.9
533.20758	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	532.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.8
55.01873	4.3
55.05519	2.7
57.03440	2.3
61.02914	1.6
65.03951	2.2
67.05503	4.4
69.03431	36.6
69.07060	3.3
71.04984	2.1
71.28698	1.8
73.02906	1.5
79.05508	4.9
81.03426	10.4
81.07061	8.1
83.04987	5.1
85.02900	19.7
87.00848	7.5
87.04478	3.5
89.18638	1.4
91.05473	7.5
93.07053	7.5
95.04967	7.8
95.08615	4.3
97.02892	13.2
97.06543	9.3
99.04456	5.3
103.05471	1.4
105.01860	6.5
105.07038	9.3
107.04979	4.4
107.08612	5.0
107.10698	1.7
108.82546	1.6
109.02892	10.5
109.06505	8.3
109.10165	2.7
111.04460	4.2
111.08144	2.3
115.04086	1.4
115.85823	1.4
117.07049	1.7
119.08582	18.5
121.06502	2.6
121.10146	4.6
123.04455	2.4
123.08067	3.8
125.06003	2.7
127.03915	12.8
128.06256	2.9
129.07019	4.8
131.08569	5.2
133.06488	2.9
133.10114	9.3
135.08080	5.3
137.05983	3.2
142.07726	3.4
143.08551	7.0
145.04991	4.2
145.10114	10.6
147.04459	1.8
147.08092	7.7
147.11707	3.3
151.07510	2.3
155.08594	2.9
156.09360	3.9
157.10094	9.9
159.02888	3.2
159.08073	3.3
159.11714	6.0
161.09618	3.0
161.13249	2.7
163.03915	1.8
163.11252	2.8
165.06985	9.5
167.08591	2.4
169.10107	1.9
170.10909	9.4
171.08070	5.3
171.11668	8.3
172.08896	1.9
173.09566	2.5
175.07541	38.0
180.09320	11.5
183.08099	4.3
184.37918	1.5
185.09630	2.5
185.13248	12.7
187.11194	3.6
189.09097	2.7
189.12735	3.5
191.10716	2.5
193.08540	4.2
195.09908	1.2
195.11694	28.1
198.10367	8.2
203.14380	4.8
213.12752	79.9
214.13124	2.4
215.07054	2.5
229.08713	1.6
231.05106	1.8
231.13803	100.0
232.14131	4.3
244.71878	1.7
249.14905	14.0
259.09720	3.2
267.15851	4.5
327.47852	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.9
53.93359	2.0
55.01891	4.0
55.05511	26.9
57.03431	11.2
57.07078	5.3
60.21133	3.0
65.03947	3.7
67.05506	90.2
69.03436	18.9
69.07072	25.0
69.87283	7.0
69.87641	2.6
71.01354	3.1
71.05009	5.5
71.49226	3.1
73.02904	3.1
79.05495	79.4
81.03420	20.7
81.06584	5.0
81.07059	90.8
81.33303	2.5
83.04995	4.9
83.08616	11.8
84.75356	2.5
85.02911	17.3
85.06539	2.7
91.05478	52.0
93.07043	100.0
93.07633	4.9
95.04966	10.8
95.08606	69.2
97.02889	15.5
97.06538	4.6
97.10186	4.1
99.04454	6.6
103.03957	3.6
105.07023	45.4
107.04960	6.7
107.08595	51.8
108.04470	4.5
109.02843	5.3
109.06506	4.7
109.10162	30.2
111.04467	7.3
117.07004	27.8
119.08571	32.6
121.06485	5.2
121.10141	49.7
123.08075	4.3
123.11697	12.7
127.03917	8.3
128.06229	4.5
129.05505	3.1
129.07002	9.9
131.08559	41.6
133.06509	3.6
133.10117	27.6
135.08075	5.1
135.11716	34.5
137.09653	4.7
141.06914	2.8
143.08574	9.3
145.04990	3.4
145.06451	3.5
145.10136	29.9
146.10411	3.4
147.08044	2.6
147.11687	26.2
149.13283	23.6
155.08554	5.5
157.06548	3.5
157.10150	11.3
159.11679	18.8
161.09642	3.4
161.13211	15.9
163.11188	3.8
163.14853	6.9
169.10127	5.6
171.08008	4.6
171.11703	9.0
173.13287	19.0
175.11115	2.9
175.14804	5.4
183.11700	4.4
185.13263	6.6
187.14861	8.6
191.14256	3.2
197.13237	3.9
199.11217	4.9
199.14865	3.2
201.16295	4.4
209.13213	3.7
211.14810	3.7
223.14809	2.9
243.21036	11.8
259.20554	9.6
261.22159	43.5
271.20642	4.1
273.22006	3.8
277.14529	3.1
277.21548	6.7
279.23355	4.0
289.21680	4.8
291.23242	4.1
301.21692	4.3
302.80252	2.6
303.23312	9.2
315.23206	5.7
319.22296	3.1
323.23361	2.7
327.23145	5.9
331.22699	2.8
335.26004	3.2
341.24789	4.7
345.24347	3.1
351.23190	10.9
358.98663	2.6
359.25754	2.9
369.24207	27.2
387.25217	22.8
405.26453	28.9
423.27545	9.9
486.50742	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	532.348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	11.0
53.67266	3.1
55.01871	3.5
55.05515	24.0
57.03433	5.1
57.07082	96.1
61.02922	3.4
67.05509	44.6
69.03436	63.6
69.07069	23.1
71.04987	5.6
71.08633	71.7
79.05482	16.0
81.03417	89.3
81.07058	51.2
83.04961	4.3
83.08622	38.8
85.02908	59.0
85.10184	37.7
91.05504	8.8
92.05844	4.0
93.07058	14.5
95.08612	67.6
97.02897	92.0
97.06538	3.3
97.10170	18.8
99.04453	16.9
105.07010	5.6
107.08641	5.3
109.02888	47.0
109.10136	31.5
111.11770	4.5
115.03954	22.3
117.03374	3.8
119.08594	6.2
121.10182	5.8
123.11702	16.0
127.03922	86.4
128.04370	3.6
133.10158	5.2
137.13295	5.5
145.02869	11.9
145.04985	37.3
145.10164	3.0
146.93350	2.9
152.79233	3.6
163.06282	3.5
177.05476	27.7
195.00232	5.8
239.23695	100.0
240.24278	3.8
257.24756	13.3
383.27927	80.5
401.29010	76.6
402.29242	7.9
532.40057	10.9
533.28540	5.9
555.19647	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	533.272
Annotation	Roridin A
Peak:m/z	Relative Intensity
53.03950	0.4
55.01878	0.4
55.05508	1.2
57.03437	0.8
60.08165	0.3
67.05495	1.7
69.07054	0.7
70.37662	0.3
70.38013	0.8
71.04987	0.4
77.43195	0.3
79.05493	2.3
81.03397	1.5
81.07043	1.9
83.04971	0.6
83.08613	0.9
85.02909	0.9
85.63577	0.3
86.09735	0.5
91.05485	1.9
93.07047	1.9
95.04969	0.8
95.08612	0.7
97.06523	0.5
99.04475	0.4
104.10736	0.8
105.07026	1.6
107.08605	0.7
109.06553	0.4
117.07001	0.6
119.08601	1.3
121.10131	1.0
123.08118	0.6
129.06995	0.6
131.08562	0.8
133.10175	0.6
135.11708	0.4
137.09619	0.3
145.10152	0.8
147.11714	0.4
149.02328	0.5
157.10089	0.4
163.11211	1.0
175.11282	0.4
184.07344	0.7
193.12328	0.5
249.11021	3.4
251.12553	7.2
252.12852	0.4
283.15527	0.6
305.13623	4.0
307.15146	6.5
308.15479	0.4
346.30243	0.3
393.31461	0.3
533.27197	100.0
534.27435	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	533.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92864	1.8
51.02387	3.8
53.03940	7.7
55.01877	15.0
55.05516	70.8
57.03442	16.6
57.07071	7.4
59.05002	3.8
65.03933	4.8
67.05510	100.0
68.05837	2.0
69.03424	6.7
69.07076	32.7
69.76420	1.9
71.01358	2.5
71.04996	9.8
71.08622	2.0
79.05497	93.4
81.03431	13.7
81.07063	99.0
83.01366	4.7
83.04982	23.5
83.08624	40.1
83.41631	2.1
85.02908	4.9
85.06541	7.2
91.05488	76.1
93.06470	4.4
93.07052	89.6
95.04992	18.1
95.08611	63.5
97.02879	3.2
97.06544	12.9
97.10182	42.0
99.04449	3.5
99.08087	4.4
105.04499	3.6
105.07036	58.2
107.04969	8.8
107.08598	60.2
109.06542	7.9
109.10152	31.5
111.04441	9.9
111.08112	10.1
113.60551	2.0
115.05486	4.7
117.07024	31.4
119.07783	3.9
119.08585	45.6
121.06525	6.6
121.10155	43.2
123.08065	8.1
123.11715	12.6
125.09634	39.0
128.06181	3.0
129.06998	21.7
130.07797	5.0
131.07588	2.5
131.08575	48.9
131.09499	3.7
133.06461	3.2
133.10124	34.1
135.08060	8.1
135.11703	35.4
137.09608	4.2
137.13295	3.9
139.11186	3.0
141.06984	5.5
142.07841	3.1
143.08595	15.1
143.10724	2.2
145.06526	4.3
145.10138	48.6
147.08066	7.2
147.11682	30.9
149.09645	8.6
149.13235	11.9
151.11183	3.1
153.09128	5.3
153.12720	12.1
155.08646	11.1
157.06647	2.1
157.10139	17.0
157.16187	2.0
159.11700	28.8
161.09622	3.2
161.13245	11.4
163.11214	22.6
165.12733	3.0
167.08482	2.6
169.10167	10.3
169.12343	2.5
171.10342	3.1
171.11696	17.7
173.09628	5.6
173.11844	3.8
173.13234	24.2
175.11194	6.4
175.14816	4.5
177.12744	4.0
180.96800	1.9
181.10175	3.5
181.12250	8.2
183.11734	7.6
185.09602	2.7
185.13286	9.0
187.11169	4.8
187.14836	12.7
189.11244	26.5
189.12758	3.1
189.16313	6.0
191.10664	11.1
191.18129	2.4
193.12260	5.4
195.11771	6.6
197.13211	6.0
199.11324	2.7
203.17961	2.9
205.19649	5.6
209.11775	8.1
211.13191	3.8
211.14926	4.5
213.16423	9.4
215.17960	18.9
217.19652	2.5
227.12769	41.0
227.14827	3.4
227.17941	5.7
229.19560	2.3
231.17467	7.3
233.13249	2.5
233.19016	18.6
237.16452	3.6
243.17502	2.4
243.21176	5.2
245.13893	7.6
245.19048	6.3
249.18582	4.7
251.20146	4.5
253.19594	8.7
255.17583	4.0
261.18634	2.6
267.15845	4.1
269.19049	3.4
271.20609	30.5
272.20767	2.3
273.18665	4.0
275.20053	2.2
283.15387	25.1
287.20047	4.0
289.21698	17.7
305.21091	5.0
307.22693	19.2
315.23288	2.9
325.21631	2.8
343.22760	3.0
345.24341	3.6
377.28427	2.4
387.26703	3.3
395.29309	6.6
405.27838	10.8
423.28970	17.8
441.29932	17.1
448.55008	2.6
459.31451	11.1
487.34515	4.7
497.32761	16.1
515.33691	89.4
516.34064	8.7
521.43823	2.1
533.34650	52.4
534.35272	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	533.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33534	1.4
53.03949	8.4
55.01871	12.5
55.05510	30.3
57.03437	14.2
57.07067	5.2
57.91822	1.4
65.03934	4.6
67.05504	81.2
68.05852	2.1
69.03428	3.7
69.07067	68.3
71.04986	5.0
71.08624	3.2
73.06546	6.0
79.05492	96.6
80.05836	2.0
81.03421	26.7
81.07054	93.0
82.07377	2.1
83.01342	3.1
83.04984	6.0
83.08617	12.0
85.02872	3.6
85.06542	4.9
87.04460	1.8
91.05479	100.0
92.05844	2.6
93.07043	77.1
95.04969	11.9
95.08603	77.0
96.08952	1.9
97.06530	24.3
97.10184	6.6
99.08074	2.9
103.05481	2.8
105.04529	3.8
105.07030	56.3
106.78183	1.5
107.04941	9.1
107.08592	64.0
108.08905	1.8
109.06534	7.2
109.10146	28.9
111.04449	3.0
111.08083	4.6
115.05476	9.0
115.07587	3.3
117.07017	52.5
119.08576	51.0
121.06508	7.7
121.10142	31.5
121.11008	1.8
123.08092	6.7
123.11684	10.7
125.05976	7.6
125.09613	17.4
128.06248	2.1
129.06984	13.8
130.07774	1.8
131.08566	34.7
133.06520	4.6
133.10132	31.5
135.08051	48.9
135.11693	24.5
137.09605	12.4
137.13303	2.5
141.07007	5.8
142.07829	3.9
143.07057	40.1
143.08582	14.6
145.06462	4.4
145.10126	30.9
147.08073	4.1
147.11708	19.9
149.09610	7.2
149.13245	13.6
151.07562	2.3
151.11180	1.8
153.09088	23.2
155.08566	6.0
157.10144	11.7
159.08073	4.1
159.11684	25.0
161.08133	9.5
161.09642	4.7
161.13228	13.6
163.07529	9.0
163.11224	4.0
163.14842	8.7
165.09151	6.3
167.08638	1.6
168.09491	1.9
169.10103	9.1
171.08070	1.7
171.11697	12.5
173.09573	1.9
173.13248	16.4
175.11229	3.5
175.14842	6.1
177.12799	4.5
181.08620	11.4
181.10159	4.5
183.11664	8.7
185.09570	2.7
185.13281	10.3
187.11208	2.6
187.14812	11.9
189.12856	2.0
189.16328	2.5
191.10732	2.0
195.11752	4.5
197.13293	4.0
199.09645	28.2
199.11121	2.2
199.14865	6.3
201.12764	2.5
201.16429	4.7
203.14319	1.9
204.98047	1.4
206.19295	1.4
207.11694	2.1
209.13333	4.6
211.14856	4.9
213.12816	1.6
213.16464	4.0
215.14413	3.1
215.18030	2.4
217.10736	6.5
219.11723	2.1
219.17430	1.7
223.11060	1.6
225.16353	2.3
229.15961	1.8
239.12666	3.8
239.18214	1.6
241.19592	2.7
243.21111	6.3
253.19725	2.1
255.12286	33.7
257.13855	2.7
259.20569	10.9
261.22119	36.5
262.22507	1.8
267.21353	1.6
273.22174	4.1
277.21725	7.4
279.23309	4.1
283.20642	4.1
287.20166	1.8
287.23581	2.3
297.22134	3.2
299.20300	2.8
299.23602	21.0
301.21664	5.7
315.23056	7.1
317.24753	16.0
325.21655	2.6
333.24258	7.5
335.25803	18.7
343.22809	5.8
373.27554	3.4
377.28500	5.0
387.26852	3.7
389.27023	1.7
391.29034	2.2
395.29404	15.2
397.30951	2.7
399.25272	3.5
405.27795	10.7
413.30566	6.0
417.26331	2.2
423.28915	14.5
441.29797	9.7
459.30710	8.1
469.33224	3.3
479.31613	1.9
487.34265	8.6
497.32565	30.0
498.33081	3.2
505.35471	2.0
515.33630	85.3
516.34216	8.4
533.34821	51.9
533.41571	2.2
534.35144	6.0
534.44562	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	533.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.7
55.01865	12.5
55.05509	57.2
56.27172	2.6
57.03429	12.0
57.07068	10.0
59.15168	2.6
65.22550	2.5
66.44502	2.6
67.05505	66.4
69.03432	5.4
69.07067	24.0
70.94492	2.6
71.04993	6.6
71.08646	5.9
74.02529	2.6
77.03919	3.1
79.05489	64.0
81.03422	13.1
81.07056	58.0
83.04966	14.2
83.08617	25.7
85.06544	8.4
91.05480	57.0
93.07039	49.5
95.04964	13.8
95.08599	31.9
97.06528	9.0
97.10172	44.1
99.59212	2.7
105.03388	10.5
105.07025	49.5
106.07410	3.2
107.04958	6.1
107.08593	35.6
109.06549	4.8
109.10154	17.3
111.04462	2.9
111.08062	7.8
112.54425	2.7
115.05439	5.8
117.07006	32.0
119.08573	35.2
121.06518	7.6
121.10142	16.4
123.08092	4.2
123.11727	4.0
125.09621	34.7
128.06223	4.8
129.06996	15.1
131.08557	36.8
133.06451	4.0
133.10149	24.4
135.08063	7.6
135.11688	14.5
137.09642	4.9
141.07002	5.3
143.08513	16.6
145.06503	2.9
145.10139	28.3
147.08035	5.7
147.11696	22.0
149.06024	6.7
149.09622	5.5
149.13289	8.2
153.12648	3.3
155.08536	10.9
157.10126	12.3
159.11684	15.6
161.09579	7.1
161.13235	12.9
163.11154	7.9
167.08708	3.8
169.10172	7.7
171.11676	11.9
173.13289	18.0
175.11266	4.7
175.14758	3.4
177.12703	3.6
181.10071	5.0
181.12225	6.0
183.11717	9.5
185.09578	3.2
185.13243	12.8
187.11154	6.5
187.14827	12.4
189.11208	28.9
189.16412	4.8
191.10751	3.9
193.12257	6.2
197.13223	8.7
201.16364	4.0
203.17972	4.6
209.11664	3.9
213.16345	3.5
215.17863	5.1
227.12740	42.4
227.17918	3.5
229.23640	3.7
231.17484	8.8
233.19064	7.9
237.16530	3.4
243.21135	6.6
245.13844	7.9
245.19081	6.8
253.19545	10.0
267.15900	4.3
269.18802	2.7
271.20624	27.9
273.18417	4.3
280.68649	3.4
283.15396	8.2
289.21555	15.1
305.20990	3.6
345.14526	2.6
345.24396	3.7
395.29352	5.1
405.27881	8.1
413.30493	4.2
423.29010	22.7
441.29858	17.3
459.30627	14.8
487.34125	9.2
497.32767	13.2
505.35114	3.8
515.33673	100.0
515.41394	5.5
516.34076	8.5
533.27081	4.4
533.35107	42.5
534.35223	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	534.291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	1.6
53.03942	4.2
55.01870	4.6
55.05511	5.2
57.03424	8.0
67.05513	16.8
69.03432	15.0
69.06146	13.7
69.07070	28.2
71.01344	2.8
71.04982	3.2
73.37516	1.4
73.75165	1.2
79.05498	26.2
81.03423	20.7
81.07060	16.5
81.58373	1.2
83.04968	6.7
83.08619	3.3
85.02917	7.3
85.06499	1.3
89.03898	2.0
91.05484	19.1
93.07036	10.8
93.85979	1.5
95.04967	12.6
95.08614	7.0
97.02898	18.9
97.06532	100.0
98.06897	1.9
98.22565	2.3
99.04456	2.9
105.07014	7.3
107.04967	5.5
107.08605	6.7
109.02903	2.0
109.06499	1.8
109.10162	3.9
115.05434	2.5
117.03371	5.0
117.07013	3.9
119.08575	8.7
121.06493	2.2
121.10146	7.9
123.04420	1.7
123.08065	3.0
127.03930	3.6
128.06255	1.7
129.06998	7.8
131.08562	5.2
133.02769	1.9
133.10121	6.9
134.03639	1.5
135.04396	9.5
135.08022	5.2
135.11725	2.5
137.09598	3.5
141.06969	2.6
142.07784	2.2
143.07095	1.9
143.08553	5.1
145.02870	9.7
145.06474	3.1
145.10129	2.2
147.04391	2.2
147.08049	2.5
147.11728	3.8
149.09610	2.6
151.07516	2.2
157.06459	3.2
157.10152	4.2
159.08084	1.8
160.05267	1.8
161.02361	1.5
161.05972	8.3
163.03903	55.0
163.07542	1.8
163.11145	2.0
165.06963	2.1
165.09160	3.4
167.08600	3.2
169.06470	2.3
169.10112	1.9
171.08060	5.5
173.02429	1.6
173.06029	4.2
173.09616	2.3
175.07542	7.0
175.11110	2.4
176.11981	2.0
181.06476	2.6
183.08040	3.6
184.07359	2.6
185.06032	3.1
185.09630	4.3
186.06754	1.8
187.03882	3.0
187.07588	7.7
189.05511	3.3
189.09067	8.4
190.06317	1.6
191.07092	3.3
193.12204	2.6
195.08038	4.3
197.06009	1.6
197.09619	4.4
199.03862	2.0
199.07565	9.2
199.09276	1.7
200.08081	1.5
201.09088	4.3
202.06186	1.9
203.06981	1.8
203.10678	2.3
209.09554	2.3
209.11624	1.4
211.07533	3.2
211.11237	2.3
211.13152	2.1
213.05450	5.1
213.09113	8.9
214.09875	1.5
215.07030	3.9
215.10628	2.2
217.04976	2.0
217.08606	6.4
217.15862	2.3
223.07533	1.6
225.09132	2.5
227.10669	2.3
229.08592	3.4
231.10144	4.6
239.12756	6.0
241.08640	11.7
241.12225	4.0
245.15472	2.3
253.12289	2.0
255.10056	2.2
255.12273	1.9
257.11627	1.9
257.13867	2.2
259.09662	43.6
265.12372	3.0
267.13492	1.9
267.15967	3.1
269.07794	1.5
269.11798	1.7
277.10666	2.3
283.13107	3.3
283.15799	2.3
285.14694	3.1
287.12747	5.7
293.11795	3.1
295.13361	2.4
297.14774	3.2
309.14865	5.4
311.12735	10.2
311.16138	2.9
313.14319	6.7
327.15881	8.3
329.13760	3.1
331.15515	7.9
337.14285	11.8
337.20090	23.5
338.20502	1.5
355.15399	35.3
360.00098	1.4
373.16476	65.9
431.24374	1.7
449.25159	2.0
463.23108	2.0
499.19336	4.4
517.20612	2.9
534.19940	3.1
535.21692	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.6
56.05030	0.6
57.03425	0.4
58.06626	0.6
60.08167	6.8
67.05506	1.2
69.07085	0.5
71.05772	0.3
71.07379	3.2
79.05486	0.7
79.65044	0.2
81.03410	0.4
81.07059	0.7
83.04986	0.9
83.08595	0.3
86.09709	30.3
87.10039	0.2
91.05499	0.9
93.07066	0.8
95.04945	0.3
95.08619	0.4
97.06549	0.4
98.98460	3.3
99.04439	0.3
104.10741	3.9
105.07000	0.5
107.08622	0.4
111.04431	0.9
113.05976	0.3
119.08591	0.4
121.10154	0.2
125.00009	20.4
126.00375	0.2
128.06192	0.2
133.10130	0.3
145.10146	0.3
147.08086	0.3
155.07051	1.1
163.11197	0.2
173.08133	2.0
184.07350	100.0
185.07674	1.3
236.15016	0.5
287.05490	0.2
304.95642	0.2
313.44211	0.2
447.27136	0.6
451.21951	0.2
516.30566	0.9
517.22650	1.0
534.26581	1.6
534.31909	2.4
535.24908	0.9
535.27643	0.8
564.79724	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.1
55.01873	6.1
55.05501	26.1
57.03434	6.9
57.07045	10.0
61.02928	7.9
62.95021	5.0
67.05505	93.3
69.07069	34.0
69.49274	14.1
69.49657	11.7
71.08604	5.9
79.05460	28.3
81.07053	100.0
83.01479	4.8
83.04992	8.0
83.08615	26.0
85.02925	6.1
86.09715	17.0
91.05486	27.9
93.07034	36.7
95.08605	92.0
97.06531	9.2
97.10165	16.4
102.79776	5.8
104.10733	73.8
105.07044	12.2
107.08600	28.4
109.10141	43.9
111.08105	5.3
119.08579	20.3
121.10148	21.9
123.11703	20.4
127.37997	4.7
133.10110	17.2
135.11682	13.7
137.13264	11.1
143.08395	4.9
147.11716	16.2
149.13222	7.6
151.14810	8.2
161.13235	18.0
163.14838	10.8
165.16394	5.3
175.00923	5.1
175.14804	12.9
179.17928	6.2
184.07283	15.5
245.22610	65.4
263.23672	90.7
337.27426	62.0
421.81149	5.1
475.22284	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	534.364
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26755	2.0
53.03949	3.8
55.01876	4.4
55.05513	25.6
57.03436	9.1
57.07072	6.3
65.03932	3.9
67.05506	93.7
68.05850	2.6
69.03432	15.6
69.07066	25.3
71.01360	2.1
71.04988	6.6
71.08642	3.2
73.02909	2.0
76.90525	2.0
78.69814	2.2
79.05495	37.6
81.03426	16.9
81.07059	100.0
82.07375	2.1
83.04990	5.6
83.08620	19.8
85.02894	17.5
85.06547	2.6
91.05480	28.4
93.07043	33.4
95.04966	7.4
95.08608	71.0
96.08957	2.9
97.02898	8.6
97.06532	6.9
97.10161	10.5
99.04488	4.5
99.08074	4.4
105.07027	21.7
107.04926	3.2
107.08588	22.5
108.04504	3.0
109.02896	3.1
109.06529	4.8
109.10154	29.6
111.04456	5.2
111.08083	4.2
111.11750	2.6
117.07016	8.2
119.08601	18.7
121.06500	2.7
121.10132	19.6
123.04433	2.2
123.08073	4.5
123.11700	17.2
125.09676	2.8
127.03932	5.9
129.05493	4.5
129.06984	4.9
131.08612	11.0
133.10132	17.8
135.08063	4.4
135.11694	8.5
137.13275	4.3
143.08565	5.6
145.04980	3.6
145.10136	9.4
147.11684	8.4
149.02315	2.5
149.13312	6.5
151.11168	3.8
151.14804	2.7
157.10211	3.3
159.11708	5.9
161.09575	2.0
161.13287	10.6
163.14877	7.3
165.12860	2.6
165.16394	3.8
169.10033	2.7
173.13254	4.7
175.11221	2.8
175.14851	6.9
177.16331	2.6
187.14778	3.0
189.16357	2.7
201.16338	2.2
229.15901	4.7
243.17459	2.9
245.22687	10.5
261.22174	5.8
263.23727	30.6
263.76505	2.4
273.22089	2.5
279.23245	3.0
282.68146	2.7
287.23721	3.1
291.23132	5.7
293.24814	4.7
303.23065	3.2
305.24753	6.3
317.24738	6.0
321.24429	4.9
329.24619	4.0
337.27356	4.3
343.26419	4.8
353.24808	6.4
371.25821	26.1
389.26743	18.2
407.27859	23.5
425.29114	6.8
534.34308	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.364
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44007	2.8
53.03944	6.8
54.05616	2.8
55.01870	4.8
55.05516	29.1
55.61636	2.8
57.03428	9.4
57.07075	27.3
57.19631	3.1
62.47911	2.7
65.03932	4.2
67.05505	82.7
69.03417	11.0
69.07069	45.0
70.07405	3.2
71.04982	6.0
71.08629	13.3
76.41236	3.1
79.05492	51.1
80.05802	3.6
80.77774	3.1
81.03416	14.2
81.07056	100.0
82.07349	3.7
83.04980	7.4
83.08624	19.1
85.02900	13.3
85.06539	4.7
85.10182	5.4
88.07629	5.5
91.05477	49.5
92.05831	4.9
93.07046	51.6
95.04952	9.1
95.08600	66.1
95.09166	4.6
97.02882	8.3
97.06523	12.6
97.10164	8.4
99.04460	4.6
99.08141	3.3
103.03894	3.0
105.07032	38.6
106.07358	3.6
107.04955	4.5
107.08604	39.4
109.06537	4.3
109.10157	29.5
111.04418	6.0
111.08107	6.5
111.11704	4.8
115.41611	3.2
117.07018	12.4
118.07442	3.3
119.08572	34.0
120.08968	3.5
121.06506	4.5
121.10137	22.5
123.08072	4.9
123.11717	11.7
125.09624	6.3
127.03888	4.3
129.07030	5.8
129.55777	3.6
131.08562	17.6
133.06480	4.5
133.10141	28.7
135.08023	9.2
135.11687	15.9
136.08385	3.3
137.09628	10.1
139.11163	5.4
141.06940	3.8
141.12723	11.6
143.07002	3.5
143.08511	7.3
145.04932	4.1
145.10141	13.4
147.11700	19.9
149.13257	10.1
151.11227	4.2
157.10175	5.8
159.08076	3.0
159.11652	8.6
161.13283	8.4
163.14832	5.3
166.66071	3.1
171.11671	6.7
173.13318	5.6
175.14815	7.6
179.14398	3.9
183.11723	4.0
185.13260	3.7
189.16341	7.0
203.17992	4.8
205.19548	5.0
207.17351	3.0
219.17432	21.5
245.22647	34.2
247.20724	4.2
256.26291	15.7
261.22162	5.8
263.23682	14.4
275.23685	5.6
281.22488	3.9
287.23724	11.4
289.25296	5.7
300.20181	3.5
305.24677	11.1
317.25034	4.4
329.24789	4.2
333.24258	4.7
347.25833	6.8
371.25870	15.4
389.26855	13.7
407.28012	13.7
425.28989	4.2
498.33249	7.9
515.61743	3.6
516.33820	13.8
534.34760	11.7
534.44977	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1081
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
52.65416	0.1
53.03947	1.9
55.01628	0.1
55.01871	1.5
57.03437	1.1
61.02927	1.0
65.03941	0.1
68.99787	1.6
69.03427	6.1
71.01353	0.2
71.04997	0.8
73.02914	1.5
79.05490	0.3
81.03415	7.8
82.03745	0.2
83.01337	0.3
85.02901	11.3
86.03198	0.1
87.00826	5.2
87.04481	0.2
91.03940	0.6
95.04961	0.1
97.02888	4.1
97.06509	0.5
99.04451	2.6
101.02404	0.1
103.03933	0.1
105.01169	0.2
105.01862	2.6
105.03365	0.4
107.04974	0.3
109.02876	6.6
111.00806	0.8
115.03939	0.2
117.01865	1.0
118.96274	0.1
121.02862	2.9
121.06490	0.1
127.03912	8.7
128.04236	0.1
129.01820	0.7
129.06984	0.1
133.02827	0.6
135.04359	0.1
137.02336	1.0
141.01785	0.1
141.06992	0.2
145.04955	2.5
145.06436	0.3
147.02930	0.7
147.04317	0.6
151.03941	0.1
153.01819	4.0
157.06477	0.5
159.02887	3.9
160.03242	0.1
161.02271	0.1
161.05968	0.2
163.03888	0.4
165.01828	1.8
171.02989	0.1
171.04422	0.3
173.02310	0.2
173.05948	0.1
175.03868	0.2
175.07425	0.1
177.03899	0.1
183.02899	0.9
184.05188	0.1
185.05930	0.6
189.05510	0.2
191.15302	0.1
197.06049	0.2
203.03316	0.1
203.07028	0.1
207.43396	0.1
208.22775	0.1
213.03815	0.3
213.05490	1.4
215.07036	0.4
217.05032	0.1
229.05046	0.2
231.04639	0.9
231.06650	0.5
241.04901	0.9
257.09674	0.1
258.05249	1.2
259.06088	0.5
259.09555	0.7
269.04617	0.2
270.05173	0.1
277.10706	0.2
286.04660	0.2
287.05472	100.0
288.05807	4.9
299.05661	0.2
329.06488	0.4
350.21899	0.1
353.06012	0.1
373.16226	0.2
395.07639	0.2
517.28674	0.1
533.73486	0.1
535.17517	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1084
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
51.02343	0.2
53.03893	1.9
55.01818	1.9
55.05472	0.3
57.03382	1.2
59.04962	0.2
61.02865	1.0
63.00845	0.2
65.03902	0.3
67.05476	0.3
68.99791	1.6
69.03431	7.3
69.03769	0.4
69.07028	0.3
70.03681	0.2
70.06554	0.3
71.01302	0.3
71.04926	0.9
71.28690	0.1
73.02910	1.2
73.04700	0.2
79.05434	0.7
80.05030	1.2
81.03421	10.8
81.03854	0.6
81.06985	0.2
82.03721	0.2
83.01295	0.2
83.04931	0.5
84.04458	0.3
84.08138	1.2
85.02908	10.8
85.03377	0.4
86.06001	0.8
87.00833	4.7
91.03934	0.3
91.05407	0.5
93.06970	0.2
95.04922	0.4
95.08560	0.2
97.02897	5.5
97.06538	1.0
99.00803	0.2
99.04466	2.6
100.76520	0.1
101.02351	0.2
102.05470	0.4
105.01865	2.3
105.03324	0.3
105.06940	0.3
106.06459	0.2
107.04963	1.4
109.02880	6.6
111.00748	0.5
111.04394	0.2
115.03872	0.4
117.01855	0.9
117.06973	0.2
119.04858	0.5
119.08524	0.3
120.08012	0.4
121.02879	3.4
121.03721	0.4
123.04379	0.2
125.02236	0.2
127.03922	8.8
129.01772	0.6
129.06955	0.2
130.05013	3.4
130.08571	0.2
130.09627	0.2
131.04880	0.3
131.08357	0.2
133.02806	0.4
135.04338	0.3
137.02287	0.6
137.05954	0.3
141.06966	0.3
142.67133	0.2
145.04962	2.6
145.06226	0.3
145.06412	0.3
147.02863	0.6
147.04343	1.8
148.11151	0.6
149.02345	0.2
151.03795	0.3
153.00699	0.3
153.01834	3.8
153.06999	0.2
154.07652	0.2
157.06467	0.4
159.02901	3.8
159.04234	0.3
159.07893	0.2
161.02348	0.3
161.05896	0.7
163.03815	0.5
165.01834	2.0
167.05539	0.2
169.06465	0.4
171.04356	0.3
171.08069	0.2
173.02287	0.2
173.06000	0.3
175.03836	0.2
175.07509	0.3
175.14809	0.4
177.03873	0.2
177.05452	0.3
179.08525	0.2
181.06430	0.4
183.02934	1.1
183.07982	0.2
185.05922	0.6
187.07521	0.2
189.05438	0.2
195.96584	0.2
197.06032	0.4
199.07550	0.2
203.05208	0.2
205.08630	0.2
209.09259	2.8
209.12849	1.4
211.07437	0.2
212.08278	0.3
213.03709	0.3
213.04286	0.2
213.05560	1.4
215.07071	1.3
220.61899	0.2
221.05936	0.2
223.07491	0.2
225.09073	0.9
227.07121	0.3
229.04855	0.3
231.04646	1.0
231.06824	0.4
231.10176	0.2
232.82935	0.2
235.07469	0.2
236.08171	0.2
240.81572	0.2
241.04979	0.6
249.09007	0.3
258.05203	1.1
259.05872	0.4
259.09698	1.1
269.04321	0.2
275.09390	0.3
277.08521	0.4
287.05493	100.0
288.05807	4.3
299.06021	1.1
299.09671	0.2
311.05426	0.3
317.11716	0.6
323.08994	0.3
329.06528	0.6
345.11230	0.8
353.06348	0.2
373.10776	1.2
391.11826	0.5
445.20828	0.3
461.20142	0.4
475.21442	0.9
503.21088	2.1
517.23047	1.2
534.36243	1.0
535.23761	9.8
535.36938	0.4
536.24200	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01895	0.5
57.03424	0.8
69.02538	1.0
69.02937	3.0
69.03433	3.9
69.33166	0.6
71.04985	0.8
80.05013	26.0
81.03414	9.3
82.06577	1.2
84.04502	7.3
85.02902	14.0
86.06065	26.2
87.04471	0.7
91.05432	0.8
92.69103	0.4
95.01335	0.8
95.04959	0.7
96.04520	0.5
97.02877	2.2
97.06522	1.1
99.00826	0.4
99.04430	1.1
102.05537	7.7
103.05449	0.5
106.06544	5.2
107.04967	2.3
109.02882	1.1
110.72336	0.4
112.03969	1.2
113.02396	0.5
118.06555	0.7
119.04897	0.9
120.08091	6.1
121.02826	2.3
127.03909	1.3
130.04996	100.0
131.05267	0.8
136.07607	0.8
141.06970	0.6
146.06055	0.6
147.04410	1.8
147.09149	0.7
149.07106	1.0
150.05487	1.2
161.05927	0.4
163.03804	0.8
164.07051	2.0
165.10243	1.2
167.05563	0.9
174.05550	0.5
177.03242	0.5
179.08524	0.6
181.06552	0.6
187.07516	0.6
191.08183	3.5
192.06523	4.6
195.07942	0.6
198.09125	0.8
209.09200	99.8
210.09508	3.6
213.08994	0.6
215.06969	1.5
225.09088	2.0
230.41383	0.4
235.07600	0.5
236.08307	0.9
249.09106	0.9
259.09634	1.7
261.08716	1.4
277.08578	1.4
287.05453	1.3
299.06128	1.0
310.10712	0.5
317.11533	1.1
323.08945	0.5
327.10019	0.6
327.13553	0.6
345.11221	2.8
355.09335	0.6
373.10767	3.1
401.38120	0.5
423.13818	0.6
475.31012	1.4
517.17767	0.6
535.15894	0.6
535.23804	0.8
554.77673	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95849	1.6
53.03944	7.2
55.01867	7.7
55.05513	13.0
57.03433	12.3
67.05508	13.6
68.05028	13.8
69.03429	34.8
69.07069	19.5
70.03768	2.5
70.06599	18.5
70.07400	2.8
71.01363	3.4
71.04996	5.8
73.04764	11.0
79.05492	23.2
79.14597	1.5
80.05019	40.0
80.05772	1.8
81.03405	20.4
81.07062	12.8
82.03737	2.6
82.06596	9.4
83.04980	10.6
83.08641	3.0
85.02895	9.5
86.88889	1.7
89.03909	4.1
91.05418	4.9
91.05798	13.6
92.05771	1.6
93.07040	12.0
95.04966	6.7
95.08614	7.2
97.02899	22.8
97.06532	100.0
98.03231	2.3
98.06058	43.6
98.06873	20.9
99.04461	14.4
100.07619	5.0
101.35068	1.7
103.03956	1.9
105.07036	7.2
107.04955	2.8
107.08582	7.7
109.02883	5.0
109.06513	2.6
109.10167	3.2
110.52798	1.6
111.04494	1.9
113.60793	1.5
116.07092	30.0
116.07909	1.6
117.03369	3.7
117.06985	3.7
119.08593	4.8
121.10160	6.2
122.33302	1.7
123.04475	2.3
127.03931	3.7
129.07014	4.4
131.04947	2.0
131.08578	6.1
133.02905	2.5
133.10120	2.8
135.04420	7.2
135.08066	3.4
138.05496	2.3
141.07002	2.0
143.08551	2.4
144.06560	3.5
145.02863	7.3
145.10135	4.6
147.04428	1.9
147.08028	1.8
149.02348	3.7
149.04510	4.4
149.06090	1.9
149.09622	7.2
153.09084	1.8
155.08575	1.6
159.04402	2.5
159.08041	1.9
159.11734	1.7
161.02350	6.3
161.05975	3.6
162.06316	1.7
163.03906	49.4
163.05183	3.2
164.04283	7.5
167.05542	23.9
168.05576	1.8
169.10165	2.0
171.08133	1.8
173.02345	19.4
173.06020	1.9
174.02687	3.9
175.07437	2.9
187.07509	3.4
188.08063	1.7
189.05444	2.4
189.09200	3.7
190.09462	2.3
191.03497	2.2
193.04993	5.7
194.11794	7.1
195.08080	1.9
196.08385	2.5
198.10001	2.1
199.07486	3.6
200.07903	3.6
201.09142	2.6
203.06956	2.7
203.14304	1.8
207.84560	1.6
213.09055	5.6
214.05859	2.2
214.09418	3.2
215.07024	30.9
215.09003	2.3
216.07428	8.0
217.08484	1.9
218.08896	2.0
224.07892	2.4
225.04317	2.2
227.12840	4.7
229.08589	1.9
229.16003	2.4
232.10503	1.7
233.08081	2.1
234.16716	1.7
237.07471	2.9
239.09541	4.3
241.08517	10.6
241.14368	9.2
242.08853	2.4
247.16910	3.0
253.12260	1.8
258.08499	1.5
259.09650	77.4
260.09982	30.9
266.99918	3.7
268.14301	2.3
270.12415	1.8
277.10660	5.3
278.11029	3.1
283.02954	7.5
284.13663	3.8
286.15088	2.1
288.13806	3.1
296.13602	2.1
299.06180	43.1
300.06131	4.4
309.14764	3.0
310.15280	2.9
312.13095	3.8
314.14566	5.5
321.20673	6.7
328.16235	3.8
330.14005	2.7
331.15332	2.0
332.15695	2.9
337.55554	1.6
338.14627	2.8
339.21661	3.3
344.97702	8.1
346.17633	2.0
351.93137	1.6
355.15491	4.4
356.15607	14.2
357.16113	2.5
359.02951	3.0
373.16486	14.4
374.16794	42.1
375.17029	3.3
415.03629	6.1
421.14749	5.9
457.63110	1.7
500.19482	2.1
518.20251	3.2
536.22168	16.8
537.23108	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	536.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95849	1.6
53.03944	7.2
55.01867	7.7
55.05513	13.0
57.03433	12.3
67.05508	13.6
68.05028	13.8
69.03429	34.8
69.07069	19.5
70.03768	2.5
70.06599	18.5
70.07400	2.8
71.01363	3.4
71.04996	5.8
73.04764	11.0
79.05492	23.2
79.14597	1.5
80.05019	40.0
80.05772	1.8
81.03405	20.4
81.07062	12.8
82.03737	2.6
82.06596	9.4
83.04980	10.6
83.08641	3.0
85.02895	9.5
86.88889	1.7
89.03909	4.1
91.05418	4.9
91.05798	13.6
92.05771	1.6
93.07040	12.0
95.04966	6.7
95.08614	7.2
97.02899	22.8
97.06532	100.0
98.03231	2.3
98.06058	43.6
98.06873	20.9
99.04461	14.4
100.07619	5.0
101.35068	1.7
103.03956	1.9
105.07036	7.2
107.04955	2.8
107.08582	7.7
109.02883	5.0
109.06513	2.6
109.10167	3.2
110.52798	1.6
111.04494	1.9
113.60793	1.5
116.07092	30.0
116.07909	1.6
117.03369	3.7
117.06985	3.7
119.08593	4.8
121.10160	6.2
122.33302	1.7
123.04475	2.3
127.03931	3.7
129.07014	4.4
131.04947	2.0
131.08578	6.1
133.02905	2.5
133.10120	2.8
135.04420	7.2
135.08066	3.4
138.05496	2.3
141.07002	2.0
143.08551	2.4
144.06560	3.5
145.02863	7.3
145.10135	4.6
147.04428	1.9
147.08028	1.8
149.02348	3.7
149.04510	4.4
149.06090	1.9
149.09622	7.2
153.09084	1.8
155.08575	1.6
159.04402	2.5
159.08041	1.9
159.11734	1.7
161.02350	6.3
161.05975	3.6
162.06316	1.7
163.03906	49.4
163.05183	3.2
164.04283	7.5
167.05542	23.9
168.05576	1.8
169.10165	2.0
171.08133	1.8
173.02345	19.4
173.06020	1.9
174.02687	3.9
175.07437	2.9
187.07509	3.4
188.08063	1.7
189.05444	2.4
189.09200	3.7
190.09462	2.3
191.03497	2.2
193.04993	5.7
194.11794	7.1
195.08080	1.9
196.08385	2.5
198.10001	2.1
199.07486	3.6
200.07903	3.6
201.09142	2.6
203.06956	2.7
203.14304	1.8
207.84560	1.6
213.09055	5.6
214.05859	2.2
214.09418	3.2
215.07024	30.9
215.09003	2.3
216.07428	8.0
217.08484	1.9
218.08896	2.0
224.07892	2.4
225.04317	2.2
227.12840	4.7
229.08589	1.9
229.16003	2.4
232.10503	1.7
233.08081	2.1
234.16716	1.7
237.07471	2.9
239.09541	4.3
241.08517	10.6
241.14368	9.2
242.08853	2.4
247.16910	3.0
253.12260	1.8
258.08499	1.5
259.09650	77.4
260.09982	30.9
266.99918	3.7
268.14301	2.3
270.12415	1.8
277.10660	5.3
278.11029	3.1
283.02954	7.5
284.13663	3.8
286.15088	2.1
288.13806	3.1
296.13602	2.1
299.06180	43.1
300.06131	4.4
309.14764	3.0
310.15280	2.9
312.13095	3.8
314.14566	5.5
321.20673	6.7
328.16235	3.8
330.14005	2.7
331.15332	2.0
332.15695	2.9
337.55554	1.6
338.14627	2.8
339.21661	3.3
344.97702	8.1
346.17633	2.0
351.93137	1.6
355.15491	4.4
356.15607	14.2
357.16113	2.5
359.02951	3.0
373.16486	14.4
374.16794	42.1
375.17029	3.3
415.03629	6.1
421.14749	5.9
457.63110	1.7
500.19482	2.1
518.20251	3.2
536.22168	16.8
537.23108	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	536.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03804	0.6
52.17681	0.5
52.71912	0.4
55.05502	0.7
56.05037	0.8
58.06610	0.8
60.07901	0.4
60.08168	6.4
61.65483	0.5
67.05502	1.8
67.46869	0.5
70.41253	0.4
71.07372	3.7
71.29678	0.8
73.04768	4.3
75.27022	0.5
75.56321	0.5
79.05495	1.3
81.07055	1.3
86.09709	32.0
87.10034	0.6
91.05814	7.5
93.07047	0.7
95.08610	1.0
96.16903	0.4
97.06554	0.7
97.18219	0.5
98.98486	3.1
104.10751	4.4
107.04839	0.5
119.75433	0.4
125.00011	20.6
131.08614	0.6
149.04480	1.7
167.05566	7.0
168.05539	0.6
184.07353	100.0
185.07715	1.7
225.04285	1.9
226.08113	0.5
232.57083	0.5
239.09438	1.4
266.99994	1.7
272.80234	0.6
281.04974	0.7
283.03116	2.6
284.03387	0.7
285.01108	0.5
299.06183	15.2
300.06329	1.5
344.97693	3.1
359.02795	1.5
415.03851	2.4
449.27878	0.7
500.31552	0.9
518.32501	3.6
536.28815	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.7
55.01867	7.8
55.05513	56.0
55.16255	2.8
57.03435	14.5
57.07077	31.5
65.03934	4.0
66.73434	2.7
67.05504	95.3
69.03441	21.8
69.07069	93.0
71.01372	3.1
71.04978	6.2
71.08635	18.1
73.04758	11.5
79.05489	42.8
79.54059	2.6
81.03418	34.4
81.07056	100.0
82.07378	4.5
83.04985	8.1
83.08618	67.4
85.02899	29.7
85.06543	6.6
85.10187	7.8
91.05424	9.0
91.05914	17.0
93.07046	54.3
95.04991	5.7
95.08607	87.7
97.02892	23.4
97.06537	10.5
97.10171	42.3
98.10451	3.0
99.04467	7.5
99.08141	3.5
101.52646	2.8
104.10812	2.8
104.30473	2.6
105.07043	19.2
107.04959	3.9
107.08595	33.7
109.02903	9.9
109.06529	4.9
109.10149	46.3
111.04473	7.6
111.08096	6.8
111.11753	14.6
117.07011	4.2
119.08589	14.2
121.06500	5.5
121.10145	49.0
123.08021	3.2
123.11665	16.5
125.09614	5.8
125.13258	4.8
127.03886	21.8
128.94931	3.4
129.07039	3.8
131.08580	6.2
133.10118	9.7
135.11697	40.3
137.09613	4.2
137.13222	5.2
143.08549	5.1
145.04955	9.8
145.06451	3.1
145.10098	5.5
147.11729	7.4
149.04584	4.9
149.13289	19.1
151.11255	3.2
151.14809	8.1
159.11787	4.1
161.09659	4.5
163.11211	5.3
163.14784	5.3
165.16403	5.6
167.05544	22.5
171.11632	4.4
177.16373	4.2
180.81322	2.8
216.19641	2.9
219.17503	3.8
225.04343	4.5
239.09509	3.8
246.74474	3.2
247.24245	23.6
257.18814	2.9
263.23837	5.5
265.25269	72.4
266.99985	7.2
277.25314	3.5
283.03052	7.4
283.15411	4.5
293.24902	3.4
299.06165	41.3
300.06113	6.4
305.24847	4.2
317.24857	3.4
323.25784	5.5
331.26205	5.0
339.28900	5.8
344.97614	11.2
345.27826	7.5
349.27490	7.8
355.26373	9.9
373.27383	44.6
374.27676	3.9
391.28360	48.6
392.28592	3.7
394.26172	2.8
409.29495	66.3
410.29987	5.7
415.03714	3.6
427.30576	32.6
474.91043	3.0
518.35352	3.6
536.36914	13.5
537.37610	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	537.193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56243	4.7
53.03951	7.8
57.03429	7.7
61.02942	11.9
63.17994	4.2
64.75429	5.2
68.64098	4.6
69.03433	36.7
71.05020	6.2
73.04756	6.5
81.03430	15.2
83.04989	7.4
85.02436	6.5
85.02914	100.0
87.04512	4.9
91.03989	5.4
94.06586	6.1
97.02909	28.1
98.22649	10.7
99.04459	13.2
109.02902	12.8
114.82439	4.5
127.03913	22.9
137.05998	18.0
145.04985	52.6
147.04402	9.6
161.06046	6.3
163.06062	30.5
167.05676	9.0
178.05005	75.2
187.07512	7.2
189.09164	5.5
196.06071	40.1
199.83350	4.9
277.10709	25.3
299.06128	8.7
300.06250	14.4
307.60635	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3036
Annotation	Lys Phe Asp Lys
Peak:m/z	Relative Intensity
55.05517	0.3
57.07059	0.2
67.05488	0.4
73.04758	0.6
76.78984	0.2
79.05500	0.5
80.01917	0.1
81.07053	0.4
83.08632	0.3
83.52742	0.2
89.69333	0.1
91.05799	0.7
93.07046	0.5
94.28633	0.2
95.08624	0.5
109.10158	0.3
115.03694	0.3
119.08553	0.2
121.10191	0.2
129.06981	0.2
167.05577	0.9
168.05550	0.3
229.27634	0.2
283.02988	0.2
299.06113	0.9
300.06137	1.1
301.05988	0.4
344.97800	0.3
345.97617	0.4
384.62088	0.2
384.68668	0.2
416.03925	0.3
534.93201	0.2
537.30286	100.0
538.30652	8.5
538.38947	0.3
545.41315	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30994	0.8
53.00306	6.2
53.03946	4.4
53.65298	0.7
55.01866	4.5
55.05510	32.2
56.10084	0.8
57.03431	2.2
57.07074	61.9
59.05001	3.0
61.50444	0.7
65.03931	1.7
67.05504	41.4
69.03429	2.3
69.07069	21.1
69.07350	0.4
69.31796	4.7
71.01365	2.2
71.04989	2.8
71.08630	44.9
73.02914	1.6
73.04747	2.0
79.05495	18.8
79.05935	0.9
79.36820	0.7
81.03421	7.4
81.07057	53.8
82.07384	1.0
83.04981	3.1
83.08618	35.8
84.08936	0.8
85.02896	1.0
85.06547	3.0
85.10183	25.7
91.05461	31.8
93.07042	23.6
95.04987	9.9
95.08605	45.8
97.02879	6.3
97.06507	4.4
97.10168	13.0
99.00814	20.6
99.08079	1.7
99.11744	2.2
101.02406	1.3
103.05473	2.6
105.04459	1.2
105.07022	26.0
107.04942	9.6
107.08595	12.9
109.02879	15.0
109.06512	3.8
109.10155	26.2
111.04453	2.6
111.08089	6.5
111.11739	3.1
113.06015	1.1
115.03938	3.6
117.07039	3.9
119.08571	13.0
121.02802	1.1
121.06496	9.9
121.10153	3.1
123.04459	3.6
123.08072	2.3
123.11709	11.5
125.13277	2.8
127.03923	3.6
127.07546	1.0
128.06229	2.6
131.08574	3.2
133.06535	2.7
133.10124	44.9
134.10489	1.1
135.08066	1.8
135.11697	3.5
137.05997	2.4
137.09604	1.2
137.13260	2.7
139.07556	3.0
143.08601	5.6
145.06456	1.7
145.10168	2.1
147.08084	2.1
149.09647	1.2
149.13167	0.8
151.11176	15.4
151.14828	1.0
153.07002	0.9
159.11734	0.8
161.09618	28.1
163.07564	0.8
163.11203	3.6
163.15024	0.9
165.09134	2.2
165.16399	1.2
167.05566	2.0
168.05647	0.8
171.08098	4.1
179.10651	16.9
179.12129	1.3
184.07384	2.1
189.09106	17.1
190.09380	0.9
197.11707	7.0
207.10193	6.7
209.11780	1.3
221.22581	0.8
225.11215	24.8
227.12804	1.5
239.23711	11.1
240.09576	1.4
243.12410	4.5
266.99976	1.2
268.00015	1.4
281.13803	5.7
283.15372	1.4
299.06235	5.0
300.06235	4.2
309.66272	0.9
311.25848	1.6
313.27237	1.0
345.97757	1.2
416.04065	1.1
451.28107	7.6
537.37860	100.0
538.38251	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	537.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65075	4.4
53.03944	9.4
55.01871	7.2
55.05513	46.1
57.03439	16.8
57.07077	74.6
65.03940	5.5
67.05179	7.1
67.05506	79.4
69.07070	32.7
71.01350	6.4
71.05005	4.5
71.08640	53.9
71.13422	7.7
71.74155	4.1
72.35725	4.1
79.05494	82.5
79.05873	3.0
81.03423	14.4
81.07056	81.7
83.04983	18.2
83.08624	29.1
85.06537	4.7
85.10152	20.2
91.05463	77.4
93.07045	77.0
95.04968	19.4
95.08607	67.1
97.06544	6.9
97.10183	15.3
105.07024	52.8
107.04938	9.2
107.08575	28.7
109.06550	10.0
109.10160	22.9
117.07031	13.5
117.50975	3.9
119.08591	29.3
121.10184	7.3
123.08087	8.0
123.11725	5.0
129.07011	14.5
133.10187	26.8
135.11699	9.5
137.13228	5.0
143.08578	12.0
145.10161	17.6
147.11691	30.5
147.24316	4.3
151.11208	5.2
155.08565	4.9
159.11893	4.0
161.09627	7.7
161.13309	12.9
163.11142	11.4
167.05582	5.6
171.11703	25.6
182.26796	3.8
189.12782	11.0
207.13808	37.8
225.11288	4.7
227.12807	7.0
239.23624	7.1
281.14661	6.5
281.17361	31.2
299.06006	6.9
300.06149	8.0
313.27325	82.4
314.27744	6.0
325.16565	19.0
519.40625	100.0
520.41010	12.1
528.52246	4.7
537.37073	27.9
538.37543	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	537.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.4
55.05510	11.7
57.03441	7.6
57.07078	31.1
67.05508	34.0
69.07075	12.0
71.08633	22.8
71.38087	2.1
79.05492	44.6
79.05917	4.1
81.03400	2.4
81.07060	33.9
83.04983	7.1
83.08611	11.0
85.10173	16.8
91.05464	35.8
91.05910	2.7
93.07041	42.1
95.04977	10.1
95.08604	25.9
97.10188	6.3
98.23452	4.8
105.07026	23.7
107.04943	3.5
107.08614	9.2
109.06518	4.4
109.10162	8.5
117.07030	3.9
119.08556	11.8
121.06481	4.5
121.10151	4.5
123.11687	3.5
129.06995	9.1
133.10173	7.7
135.11679	2.0
143.08585	4.1
145.10114	6.4
147.11694	21.7
161.09549	2.4
161.13249	7.6
171.11647	19.9
189.12778	8.6
207.13817	19.3
239.23878	3.5
281.17502	33.0
281.29504	31.8
282.27905	100.0
283.28229	3.3
299.06250	5.5
299.30646	28.3
300.06180	4.7
313.27347	46.6
314.27704	3.3
380.39645	2.5
519.40375	51.4
520.40692	5.4
537.53400	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	537.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	13.0
55.01878	7.5
55.05508	36.9
57.03446	17.5
57.07074	69.2
62.07221	5.0
65.03944	5.5
66.76374	4.5
67.05508	91.3
69.07076	30.1
69.56852	4.2
71.08630	56.2
76.56350	4.6
79.05491	86.4
81.03432	10.6
81.07059	76.5
83.04990	20.9
83.08609	30.9
85.06550	5.3
85.10203	20.5
91.05464	76.1
93.07042	78.0
95.04956	22.7
95.08609	57.3
97.10180	16.4
97.26063	5.8
105.07027	55.6
107.04985	5.3
107.08592	27.8
109.06556	5.5
109.10163	28.8
117.07043	14.0
119.08602	32.3
121.06407	6.1
121.10133	8.2
123.08161	6.7
123.11715	8.5
124.05998	4.8
129.07027	20.0
131.08594	6.8
133.10133	28.4
135.11710	10.5
143.08565	11.9
145.10127	12.6
147.11694	40.4
161.09645	8.1
161.13286	17.8
161.72389	4.7
167.05533	5.5
171.11687	35.9
189.12744	12.5
207.13852	28.5
281.17468	68.5
282.28146	6.3
299.06134	10.9
300.06204	12.0
313.27380	84.5
394.07004	4.9
412.43344	5.3
465.55865	5.0
519.40479	100.0
520.40637	13.3
537.37616	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	538.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	0.6
55.05506	0.8
57.03439	0.6
57.04001	0.6
58.06588	0.8
62.67041	0.7
62.70584	0.6
67.05488	1.6
69.07083	0.8
69.54324	2.7
73.04759	1.2
74.33466	0.6
79.05499	1.8
81.07076	1.5
83.08616	0.7
86.09689	1.3
91.05772	2.8
95.08621	0.9
98.22684	1.1
105.07018	1.5
110.65820	0.6
111.48903	0.7
115.11083	0.5
117.07012	0.9
119.08612	1.2
121.10143	0.8
124.03902	0.6
125.00026	1.3
129.07065	0.6
131.08553	0.7
131.49933	0.7
136.07556	2.2
158.06036	0.6
167.05550	2.8
169.05283	0.7
172.07573	0.7
184.07372	4.0
195.09160	1.6
197.10765	0.9
208.06259	0.7
209.07097	0.9
211.08737	2.0
213.06453	0.7
216.44890	0.7
221.07150	0.8
223.08678	5.7
225.04449	0.9
225.10094	3.1
235.08678	1.8
236.14989	2.4
237.06606	3.0
239.08055	1.0
239.11736	0.7
249.06648	0.9
251.08157	12.2
252.08841	1.8
253.09785	1.1
263.08221	3.0
265.09634	1.4
273.12817	1.2
279.07733	2.2
287.10828	1.0
288.11365	2.1
299.06204	2.8
299.11429	0.8
300.06262	1.6
300.11496	3.2
300.14856	1.3
301.06042	2.8
301.12219	2.9
302.12994	2.3
311.10324	2.7
313.13293	1.0
314.09567	0.8
314.12918	2.0
316.10809	4.5
316.14511	5.7
317.15314	1.4
318.12402	0.8
325.11926	1.1
326.12903	2.3
327.10757	0.9
327.14209	1.4
328.10822	3.0
329.11722	3.2
330.12384	5.2
331.13220	1.3
332.14050	0.8
339.09857	1.9
340.14514	3.9
341.15604	0.9
342.12534	2.9
343.13428	2.6
344.10254	4.9
344.14001	12.1
345.10922	0.8
345.14658	3.0
346.12009	1.0
346.97336	1.0
354.12439	1.4
356.10452	1.9
357.11093	2.2
358.11893	6.4
358.15616	2.6
359.12650	4.3
360.13370	2.4
361.14255	1.0
368.13873	3.5
369.15448	0.9
370.11819	1.3
371.12674	2.7
372.13452	21.1
373.14328	3.0
374.11099	1.1
374.15332	1.4
386.15024	9.5
387.11923	1.3
388.12582	1.8
390.14362	0.9
396.13351	2.1
400.12680	2.5
400.17316	4.2
401.14319	1.2
404.16321	6.2
405.16144	0.8
414.14420	3.3
417.03528	0.9
418.18036	0.9
419.14389	0.9
428.16055	13.1
429.15430	0.8
432.15485	11.0
433.16043	0.9
442.13937	1.0
446.17081	13.3
447.17532	1.5
456.15625	5.0
460.18732	4.6
461.18826	0.7
474.09875	1.3
474.16595	21.7
475.16873	1.8
488.18143	8.8
502.34528	0.9
506.19214	100.0
507.19550	6.6
520.36267	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.8
58.06608	0.6
65.03944	0.6
67.01844	0.5
67.05502	1.8
69.03426	0.9
69.53965	1.4
69.54372	1.6
71.08627	1.3
73.04769	0.8
77.66814	0.5
77.94830	0.6
79.05489	0.8
81.03435	1.0
81.07066	0.9
86.09698	1.3
91.05802	2.2
92.05024	0.6
94.04441	0.7
104.10732	1.5
104.36595	0.6
105.07018	1.1
107.08583	0.7
117.07009	1.0
119.08577	0.8
120.04470	0.6
124.03967	0.8
129.07028	0.7
130.06429	0.6
133.10146	0.7
136.07605	1.1
142.78922	0.5
143.08604	0.6
151.11217	0.8
167.05569	1.4
172.07629	0.7
184.07344	2.7
195.09219	1.1
199.08755	0.6
208.06317	1.0
209.07185	0.7
209.10669	0.6
210.07855	0.9
211.08701	1.3
212.09346	0.8
213.06612	1.6
221.07101	0.9
223.08649	5.1
224.09300	0.6
225.10170	3.6
226.10860	0.8
227.11853	0.7
235.08649	1.5
236.15079	0.8
237.06418	2.8
237.10225	0.9
239.08078	1.0
241.56111	0.6
249.06653	0.8
249.10365	0.9
250.07437	1.1
251.08156	13.0
252.08740	1.6
253.09915	1.0
263.08215	3.0
265.09796	1.8
269.09265	0.6
271.12167	0.6
272.11765	0.6
273.12805	0.6
275.11514	0.7
277.09839	1.0
279.07675	2.2
281.09265	0.7
287.10995	0.8
288.11624	1.0
289.01770	0.6
293.09454	0.7
298.10608	0.7
299.06247	1.9
299.11353	1.2
300.06360	1.4
300.11438	2.6
301.05914	3.1
301.12177	2.8
302.12930	2.9
311.10358	2.1
312.11450	1.0
312.14969	0.9
313.09491	0.6
313.13077	0.9
314.12955	1.7
315.10748	1.0
315.14258	0.8
316.10815	3.7
316.14496	6.6
325.11905	1.8
326.12903	2.2
327.13879	0.9
328.10818	3.8
328.14139	1.0
329.11633	4.1
330.12289	4.4
330.15695	0.7
331.13306	1.5
332.13998	0.9
339.09842	1.8
340.14539	4.0
341.12201	1.0
341.15753	1.0
342.12366	2.7
343.13168	2.5
344.10272	4.6
344.13992	13.9
345.10956	1.0
345.14728	2.4
346.11902	1.2
346.97104	0.7
351.13464	0.9
354.12540	1.0
355.10785	0.6
356.10410	1.9
356.14252	1.1
357.11102	2.4
358.11777	5.0
358.15646	3.6
359.12430	4.7
360.13287	2.8
368.13950	3.1
369.11456	0.7
369.15250	1.0
370.12003	2.2
371.12466	3.3
372.13419	19.8
373.13885	2.9
374.10995	0.8
382.11844	0.6
384.09961	0.7
386.15024	10.8
387.12167	1.7
387.16208	1.0
388.12823	1.4
389.13705	1.0
390.14426	0.8
396.13669	1.7
399.12369	0.8
400.12793	2.7
400.17328	3.2
404.16214	5.9
414.14413	3.9
417.03275	0.7
419.14804	2.1
420.15463	0.7
428.15988	12.4
428.21515	1.0
429.16006	1.2
431.14999	0.8
432.15579	11.6
433.15979	1.9
442.13919	1.6
446.17102	17.9
447.17471	1.1
456.15375	4.6
460.18713	4.5
474.16599	25.0
475.17068	1.6
478.20087	0.8
488.18085	10.0
489.18695	0.6
506.19223	100.0
507.19565	9.4
538.30487	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	538.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
55.01867	1.2
57.62684	0.9
60.64615	0.8
63.04537	0.7
63.38182	0.7
63.86147	0.8
63.86501	0.9
69.03429	4.5
70.03769	0.9
71.30031	1.2
75.33939	0.8
76.06539	0.7
79.05502	1.2
79.86590	0.8
80.04986	1.0
81.03416	1.6
81.07072	0.8
85.02903	3.5
91.05474	2.9
93.07047	1.9
94.04186	1.9
95.04955	1.5
97.02925	1.2
98.03803	0.8
103.05457	2.8
105.07024	4.8
107.04941	0.8
109.06526	1.3
115.05450	2.8
117.07033	1.8
119.04923	1.0
119.08586	1.4
121.06512	1.7
122.03638	4.9
123.08069	0.8
127.03886	0.9
129.07008	1.1
131.04997	1.0
132.05708	1.4
133.06485	3.7
133.10155	1.6
137.05971	100.0
138.06314	2.1
144.05687	1.1
145.04945	0.9
145.06488	2.4
147.04402	1.7
147.08031	3.4
149.05989	3.9
159.08047	1.8
160.05206	1.8
161.04741	1.4
161.05971	15.1
162.06680	2.4
163.07520	1.3
173.06029	0.9
175.07539	24.6
176.07814	0.9
187.07483	7.6
190.07779	1.3
191.08527	3.4
193.08594	4.7
199.07570	3.1
203.08614	1.8
205.08600	3.1
215.06898	1.1
217.08629	1.1
219.08047	6.7
231.08057	2.8
235.07501	1.3
236.08290	1.6
236.36606	0.8
247.07611	2.4
248.08228	1.7
251.10675	11.6
259.07501	1.8
263.10526	1.2
265.08694	1.3
276.07855	1.2
278.11023	1.2
279.10104	9.4
291.10129	3.8
292.10913	1.1
296.10379	1.0
301.05963	1.5
302.01477	0.8
311.12762	24.3
312.12927	1.6
323.12778	9.0
329.13782	4.5
341.13779	8.0
376.68912	1.0
393.84119	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.01875	4.5
55.05508	4.7
58.82527	1.3
67.05518	3.4
67.96000	1.3
69.03429	9.0
69.07072	3.9
70.06615	2.0
71.29941	3.0
71.30397	1.4
73.04734	1.5
79.05486	1.9
81.03424	5.6
81.07063	2.1
83.04986	6.7
83.08630	2.1
85.02895	9.0
85.06567	2.2
86.09718	1.6
91.05409	2.0
91.05840	3.2
94.04182	2.2
95.04943	1.7
97.02899	4.5
97.06536	6.5
99.04482	3.1
100.11253	12.0
105.07062	1.9
107.08543	2.1
107.15437	1.4
107.40404	1.5
111.04469	3.1
114.09209	2.2
115.05450	7.9
117.07063	1.9
119.08586	1.7
122.03651	3.5
125.07917	1.4
127.03920	3.0
128.06213	2.0
129.07030	3.7
131.04965	4.8
137.05977	78.6
138.06345	3.1
141.07024	1.4
142.08699	2.7
143.04929	9.3
144.05698	2.2
145.04927	2.8
145.06491	3.2
147.04419	4.6
153.05511	4.1
154.12337	1.9
157.06503	4.6
160.05214	17.1
161.06055	3.5
162.06966	1.5
163.03929	2.6
163.07547	3.4
167.05629	5.1
168.13818	2.4
172.05252	2.3
173.06102	2.3
175.07544	100.0
176.07884	2.7
179.83537	1.8
182.15352	2.9
187.07567	33.8
188.07964	3.0
189.09140	7.0
189.67833	1.6
200.91136	1.5
205.08582	18.7
209.09920	1.4
209.16570	1.7
209.44647	1.6
210.14929	4.3
215.07069	3.4
217.08562	3.7
219.08080	2.3
231.11145	1.5
232.64050	1.8
235.09650	13.1
244.75098	1.5
248.08452	1.6
251.10880	1.6
259.09735	4.2
260.09961	4.5
271.09808	2.2
273.05704	1.7
273.14743	3.0
279.10196	2.1
281.18506	1.8
291.10120	4.5
299.06082	5.1
300.06082	2.2
301.05914	4.2
311.12744	3.2
323.12833	3.8
341.13870	5.7
346.97556	2.3
365.49713	1.5
376.13745	2.0
376.29501	2.0
453.20786	1.7
495.21808	4.3
538.19342	1.8
538.43372	13.7
539.20923	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	539.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99865	1.5
65.39369	0.9
67.05501	1.7
70.44471	3.0
70.99854	1.4
77.00895	2.9
81.03413	1.4
81.88873	0.9
82.99871	2.7
83.04980	1.4
86.99332	0.9
89.00918	0.9
95.04968	7.7
97.02900	1.7
98.97593	1.1
101.00876	23.5
102.01019	0.8
103.02500	1.0
113.00856	3.3
115.02406	2.4
115.76022	0.9
119.01923	42.0
120.02010	1.1
127.02417	2.6
128.10684	0.9
129.03966	1.3
131.01903	14.5
133.03508	1.8
137.02956	4.0
139.02383	1.6
141.03960	1.2
143.01895	21.6
143.05557	2.4
144.02052	1.0
145.03462	17.3
147.01447	1.4
149.02954	1.8
153.04004	2.6
155.01889	18.0
157.03456	8.9
159.05070	2.1
161.02956	28.9
161.06583	1.1
162.03079	1.2
167.01904	9.8
167.05525	9.4
169.03444	6.0
171.01398	1.6
171.05029	12.2
173.02963	24.8
174.03081	1.7
175.04582	3.1
177.03972	1.1
179.01846	5.1
183.05037	2.7
185.02972	45.6
185.06578	40.8
186.03166	2.0
186.06772	2.8
187.04562	6.8
189.06126	11.8
191.04001	1.5
195.04979	11.0
196.05109	1.2
196.87808	2.1
196.94345	1.5
197.02937	16.9
197.06612	4.1
199.04495	1.6
199.08075	1.4
201.06084	13.9
203.03973	12.1
203.07614	5.4
204.04135	1.6
207.05060	2.1
208.04623	1.1
209.02908	1.9
209.06616	3.5
211.04518	5.5
213.06096	21.4
214.06256	1.0
215.04008	16.2
216.04190	1.1
221.03081	1.3
221.04984	2.4
223.04544	1.2
225.06071	2.2
227.04007	11.1
227.07608	2.1
229.05586	4.8
231.07138	2.9
233.05038	2.4
237.06007	2.6
239.04015	12.4
239.07721	2.3
243.07216	1.5
245.05069	100.0
246.05321	5.7
255.07147	1.6
256.97528	1.6
257.05060	50.7
258.05280	3.6
263.03928	1.3
263.06161	12.1
267.07153	1.3
269.05066	8.4
269.08777	1.2
275.06110	45.1
276.06311	2.6
281.04962	1.6
285.08148	1.8
286.07944	1.0
287.06137	17.0
288.06281	1.2
293.07251	5.2
297.08197	2.7
298.07999	1.7
299.06137	2.6
305.07181	13.8
313.07617	1.6
315.09048	1.3
317.07187	18.6
318.07327	1.4
335.08224	6.6
341.07169	8.8
359.00589	0.9
359.08215	25.9
360.08389	2.0
365.09625	4.6
377.09296	48.7
378.09424	4.8
419.10178	1.3
539.14740	12.7
540.14471	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13375	3.3
53.03943	8.8
55.01879	25.6
55.05512	30.4
57.03446	24.4
57.06804	5.9
57.07078	100.0
61.02921	5.7
65.03947	4.4
67.05503	48.6
69.03431	61.6
69.06793	3.2
69.07081	35.2
71.01335	3.9
71.04983	6.9
71.08633	70.1
71.28704	3.9
73.02914	51.2
75.04527	3.3
79.05492	20.0
81.03419	47.7
81.07053	58.8
81.81946	4.1
83.04967	15.2
83.08623	46.5
85.02515	3.9
85.02917	45.9
85.10189	40.1
89.06006	4.7
91.05454	9.0
93.07052	15.4
95.04934	4.0
95.08605	79.9
97.02885	23.2
97.06522	3.7
97.10167	18.3
99.04465	34.5
99.11727	4.5
102.86855	3.4
102.87554	4.1
103.03947	6.8
105.07037	8.0
107.08590	10.4
109.02879	86.0
109.10141	46.8
110.03654	12.2
110.91397	3.7
111.04444	71.5
111.11781	4.6
119.08576	9.7
120.97027	3.5
121.10117	9.5
123.11691	22.1
125.13276	4.9
127.03921	51.2
131.08510	5.2
132.99533	36.2
137.13261	9.6
145.10100	9.3
151.00610	12.9
151.14769	5.1
155.08577	4.7
157.10168	4.9
163.11203	9.3
172.99004	6.7
191.00102	37.4
209.01154	11.8
209.11676	17.9
221.22668	5.4
227.12688	6.2
239.23679	98.5
257.24762	16.2
265.03763	8.3
265.43301	4.3
283.15369	5.1
300.06259	5.1
301.05865	4.9
313.27344	59.4
354.86288	3.9
447.32138	3.9
521.38342	5.8
539.29700	86.4
539.38849	14.1
540.29248	6.9
540.52899	7.1
567.02759	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
55.05514	3.0
57.03436	0.7
57.07080	3.3
67.05507	5.2
69.07077	1.9
69.36491	0.3
69.55960	0.7
69.56348	1.0
71.04994	0.7
71.08617	1.9
79.05504	3.6
81.03406	0.5
81.07056	5.6
83.04979	1.0
83.08634	2.0
85.02896	0.4
85.06570	0.5
85.10179	0.9
91.05465	3.9
93.07039	3.7
95.04974	1.0
95.08607	3.6
95.79639	0.3
97.02888	1.2
97.06526	0.5
97.10165	1.2
105.07036	3.1
107.04960	0.8
107.08598	2.1
109.10145	1.9
111.04417	2.5
111.80511	0.3
117.07045	1.6
119.08583	1.5
121.10145	1.1
123.11662	0.6
129.06989	1.0
131.08553	2.3
133.10133	1.6
135.08008	0.5
135.11673	0.7
141.06947	0.6
143.08577	1.1
145.10143	1.8
147.11719	0.7
149.09624	0.4
155.08577	1.5
157.10127	0.9
159.11688	0.9
161.13353	0.4
163.11235	0.6
167.08562	1.0
169.10165	1.4
171.11679	1.2
173.09660	0.5
173.13225	0.4
181.10182	0.8
181.12192	0.4
183.11717	1.0
185.04306	0.4
185.13329	0.5
191.10696	0.5
195.11748	0.8
197.13148	0.4
199.14822	0.7
203.05339	0.9
207.11699	0.3
209.11708	7.2
209.13495	0.7
211.51245	0.3
220.70290	0.3
223.14821	0.8
227.12775	2.4
239.23792	0.7
259.07849	0.6
280.73648	0.3
283.15359	1.3
283.20728	0.3
313.27402	0.5
315.23480	0.4
331.63736	0.3
358.61685	0.3
420.05145	0.4
430.40237	0.4
447.32523	1.5
465.34256	0.7
521.38208	1.8
539.31744	100.0
540.32019	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.319
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34423	0.6
55.01860	1.4
55.05507	2.0
55.54395	0.6
56.06620	0.5
57.03427	1.5
57.07077	3.7
59.00792	0.5
67.05503	5.3
69.03426	1.7
69.07059	2.3
71.08634	3.2
71.29916	0.6
73.02918	2.1
78.76749	0.5
79.05498	3.3
81.03403	2.6
81.07060	4.9
83.04957	1.7
83.08623	2.5
85.02907	1.0
85.10222	1.4
91.05481	2.7
93.07043	1.6
95.04962	1.3
95.08604	3.8
97.02880	1.1
97.10168	1.6
98.66074	0.6
99.04462	0.6
105.07019	2.4
107.08601	1.9
109.02851	1.5
109.10168	2.6
111.04449	2.4
117.07034	1.2
119.08583	1.3
121.10165	1.2
123.11707	0.9
127.03930	0.9
131.08580	1.1
132.99548	0.6
133.10138	1.2
135.11734	0.8
145.10138	1.3
155.57230	0.6
159.11632	0.7
183.11687	0.9
209.11678	5.4
227.12831	1.7
239.23694	3.2
283.15472	1.9
300.06406	0.8
309.31790	0.7
313.27328	2.2
316.70422	0.6
521.38354	1.2
539.31854	100.0
539.38501	4.3
540.32214	7.7
565.76288	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	539.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.9
54.14828	1.9
55.01882	18.2
55.05514	34.9
57.03438	29.8
57.07080	62.2
59.04993	3.8
65.03928	2.3
67.05508	38.9
69.07074	19.0
71.04990	6.4
71.08635	41.0
79.05492	28.1
81.03418	17.1
81.07055	47.7
82.60361	1.7
83.01337	12.1
83.04977	18.1
83.08627	30.3
85.02897	5.0
85.06554	2.5
85.10183	21.0
88.07639	4.4
89.06035	4.0
91.05482	19.4
92.19887	1.7
93.07053	35.5
95.04968	14.6
95.08608	38.1
96.11996	1.7
97.02896	3.6
97.06540	7.2
97.10189	7.7
98.23346	6.7
99.04429	3.0
102.09204	3.9
105.04488	3.0
105.07029	15.7
107.04965	13.5
107.08601	19.2
109.06517	7.5
109.10162	14.3
111.04457	7.4
111.08078	3.5
117.07024	8.5
119.08590	14.8
121.06511	4.9
121.10162	8.4
123.08067	11.3
123.11706	6.7
125.05997	2.3
129.07002	4.2
130.07683	2.1
131.08559	5.0
131.49483	1.7
133.10120	3.1
135.11693	19.2
137.13287	3.1
145.10141	21.7
147.08011	2.3
153.12744	7.1
155.08621	2.9
163.11177	38.6
173.09589	5.1
181.12262	7.7
191.10670	7.3
208.79254	2.0
209.11736	15.0
227.12785	11.0
239.23734	8.5
256.26355	11.0
279.05927	2.1
283.15393	90.1
284.15720	4.7
299.05930	2.1
311.29507	8.6
313.27356	100.0
314.27719	4.3
345.30042	2.7
469.52734	1.8
521.38409	45.1
522.38647	4.5
539.39063	3.6
540.53625	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
56.00409	0.4
69.03436	1.0
69.47126	2.2
70.06607	0.7
79.05498	1.0
79.74901	0.4
85.02916	2.7
91.05478	5.6
92.69827	0.5
94.04185	2.0
94.04714	0.4
97.02868	0.6
103.05467	9.5
105.07046	2.4
107.04954	2.1
115.05427	3.3
117.07018	3.0
119.08584	7.6
120.08831	0.5
121.06451	0.6
122.03652	3.4
124.07619	0.5
127.03941	0.6
128.06221	2.3
129.06998	3.8
129.69202	0.4
131.04930	15.6
131.05925	0.8
132.05733	6.2
133.06548	1.0
135.08023	0.5
137.05972	61.7
138.06281	1.5
139.07489	0.5
141.06967	0.8
143.04848	0.6
145.06467	1.3
147.04443	1.0
147.08046	10.3
151.07558	0.6
157.06479	1.2
160.05208	5.5
161.06003	0.8
163.07539	31.5
164.07904	1.1
169.06491	1.1
175.07542	100.0
176.07913	3.8
186.06754	1.0
187.07538	1.1
189.09055	1.4
193.08574	4.3
201.09148	2.6
203.00507	0.4
225.25102	0.4
233.09590	0.5
261.09201	0.6
293.11649	1.1
325.10574	0.5
325.14334	9.5
343.15384	3.1
347.01245	0.4
466.52414	0.6
522.63605	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84983	1.4
53.03944	6.6
55.01882	3.7
55.05511	2.7
57.07071	4.8
61.70296	1.4
67.05501	5.0
69.03432	7.6
69.07071	58.6
71.04971	2.4
71.29122	2.0
73.02962	2.0
79.05495	4.4
81.03425	29.5
81.07072	5.2
82.25370	1.8
83.04966	2.5
83.08650	1.8
85.02913	16.7
87.08111	56.8
91.05508	4.3
91.30777	1.8
91.91743	1.6
93.07047	4.3
95.04997	3.1
95.08626	2.0
97.02897	14.3
97.06535	7.1
99.04469	12.3
104.10754	1.9
105.07027	2.1
105.09153	7.4
107.08589	3.5
107.51037	1.7
109.02882	100.0
110.03162	1.7
111.04448	3.3
119.08608	2.8
127.03911	37.9
130.27007	1.9
131.08603	2.7
133.08585	10.9
143.08612	1.8
145.04974	15.8
145.10126	2.9
163.06044	3.5
173.15388	28.0
195.10216	2.2
201.14874	7.8
219.15848	13.2
223.09676	3.0
229.14349	26.3
231.12289	3.3
241.10715	12.0
247.15431	13.2
259.11813	4.0
277.12830	9.5
278.75870	1.9
319.71802	1.6
326.28360	1.8
337.16428	2.4
343.21262	4.5
344.14175	2.1
355.17450	4.8
373.18747	2.7
465.79831	1.8
487.25024	2.2
490.19534	7.6
540.34174	3.8
541.26526	2.3
541.35413	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	540.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
55.05238	0.6
55.05509	9.3
56.05033	1.4
57.05807	1.5
57.07073	5.9
58.06593	1.2
67.05499	1.4
67.48732	0.4
69.07067	22.6
70.06590	6.9
71.08626	3.3
72.08154	96.5
73.02928	0.5
73.08483	1.0
79.05489	0.8
81.07062	2.0
83.05003	0.4
83.08611	1.2
84.08139	2.4
85.10181	1.4
86.09705	100.0
86.57897	0.3
87.08091	0.5
87.10036	1.1
88.07634	5.7
89.06039	0.5
90.44881	0.3
93.07019	0.4
95.08604	1.3
97.06535	8.9
97.10176	0.6
98.06052	1.0
98.09676	1.0
98.22587	1.1
102.09180	4.8
106.08646	0.4
109.10144	0.6
114.09154	1.0
118.08660	0.9
121.10146	0.5
126.09154	1.7
126.12760	0.6
133.08585	0.4
140.14336	41.9
141.14659	0.9
143.08218	0.4
168.13841	12.2
168.17110	0.3
169.14035	0.4
185.16467	0.6
186.14886	61.4
187.15240	1.8
196.13281	2.9
200.16428	1.7
214.14383	18.1
215.14671	0.4
228.15930	3.0
230.15488	0.3
232.15388	0.5
244.20241	0.4
246.16766	0.4
256.23630	0.8
256.26343	14.8
274.27332	1.1
275.45554	0.3
281.22290	1.2
282.20523	0.7
283.26297	2.3
284.29425	2.2
285.21860	0.7
299.23288	15.6
300.23492	0.7
310.19968	0.4
311.29410	12.1
327.22690	4.3
328.21124	8.7
329.21442	0.5
345.23853	5.1
353.27899	0.9
357.54837	0.4
381.27423	2.6
398.30118	0.6
399.28528	29.8
400.28781	2.0
413.30249	0.8
427.28015	9.4
441.29483	1.0
512.36938	40.4
513.37219	3.9
540.36743	1.0
540.53503	33.6
541.53613	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.4
56.05822	0.7
57.07077	38.7
59.05020	0.7
67.05512	3.8
69.07073	3.7
70.06602	3.3
71.08633	33.9
72.08955	0.9
73.06560	8.0
79.05492	2.1
81.07064	4.3
82.28722	0.6
82.72927	0.6
83.04993	1.9
83.08621	5.7
84.05282	0.8
85.10181	19.3
87.04476	3.8
88.07619	5.2
89.06030	100.0
90.06368	1.3
91.05447	1.3
91.07545	0.9
93.07047	1.5
95.08595	4.3
97.10165	5.6
98.22537	1.3
99.11738	3.6
102.09167	3.1
105.07031	1.0
107.07075	2.9
107.08613	0.9
109.10149	1.3
111.04423	1.6
111.11713	2.8
113.13272	1.5
117.09143	4.1
125.13280	1.6
127.14822	1.9
130.08653	1.9
131.07048	1.1
133.08601	52.7
141.16399	1.1
145.10120	0.9
161.11696	0.7
163.11102	0.9
167.93690	0.6
177.11224	17.9
197.22672	2.1
201.87968	0.6
209.11766	3.6
210.12070	1.6
210.73058	0.6
221.13844	3.4
227.12822	0.9
228.13397	0.7
239.14941	1.6
241.25276	2.2
256.26361	10.9
274.27521	1.9
283.17645	1.5
283.26266	1.4
284.15765	1.6
284.29575	1.0
285.27747	4.6
311.29385	11.2
313.27090	0.9
314.27649	1.4
327.20151	11.4
329.30569	2.6
427.36942	0.7
435.36990	0.7
469.99005	0.7
522.38879	1.6
523.42181	6.5
540.40033	1.5
540.53448	26.0
541.53589	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.7
57.03449	0.7
58.06599	1.8
67.05510	1.1
69.03421	0.7
69.07074	0.8
71.31042	0.6
72.55920	0.4
77.81834	0.4
79.05493	1.0
81.03421	0.8
81.07056	0.7
83.04985	0.6
83.64394	0.5
84.50167	0.4
85.02901	0.7
85.06544	1.6
85.24977	0.5
89.03816	0.4
91.05474	0.8
92.05541	0.4
93.07015	0.9
95.08604	0.7
97.06561	2.2
105.07010	0.5
107.08608	0.7
119.08596	0.6
121.10181	0.5
123.08079	0.5
127.03908	0.5
130.55016	0.5
133.10098	0.5
145.10118	0.5
146.67865	0.4
162.02841	0.4
163.03906	1.3
173.02370	0.6
175.90765	0.5
185.04233	0.8
203.05220	1.2
215.06993	0.7
216.07518	0.6
216.09982	2.5
236.14986	3.3
241.08446	0.5
259.07574	0.9
259.09799	1.6
260.09955	2.1
285.77682	0.5
331.09833	1.1
345.18057	0.5
349.09033	0.6
379.20639	1.0
379.24756	0.9
403.15875	0.8
404.78812	0.5
429.17175	1.5
443.18906	2.1
456.56787	0.5
459.18262	1.1
463.13614	0.5
513.12744	0.5
524.32349	0.9
541.26117	100.0
542.19415	0.8
542.26447	8.6
542.33398	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.7
57.03449	0.7
58.06599	1.8
67.05510	1.1
69.03421	0.7
69.07074	0.8
71.31042	0.6
72.55920	0.4
77.81834	0.4
79.05493	1.0
81.03421	0.8
81.07056	0.7
83.04985	0.6
83.64394	0.5
84.50167	0.4
85.02901	0.7
85.06544	1.6
85.24977	0.5
89.03816	0.4
91.05474	0.8
92.05541	0.4
93.07015	0.9
95.08604	0.7
97.06561	2.2
105.07010	0.5
107.08608	0.7
119.08596	0.6
121.10181	0.5
123.08079	0.5
127.03908	0.5
130.55016	0.5
133.10098	0.5
145.10118	0.5
146.67865	0.4
162.02841	0.4
163.03906	1.3
173.02370	0.6
175.90765	0.5
185.04233	0.8
203.05220	1.2
215.06993	0.7
216.07518	0.6
216.09982	2.5
236.14986	3.3
241.08446	0.5
259.07574	0.9
259.09799	1.6
260.09955	2.1
285.77682	0.5
331.09833	1.1
345.18057	0.5
349.09033	0.6
379.20639	1.0
379.24756	0.9
403.15875	0.8
404.78812	0.5
429.17175	1.5
443.18906	2.1
456.56787	0.5
459.18262	1.1
463.13614	0.5
513.12744	0.5
524.32349	0.9
541.26117	100.0
542.19415	0.8
542.26447	8.6
542.33398	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.4
57.03447	0.4
58.06590	0.9
59.56156	0.2
59.92355	0.2
60.08189	0.2
67.05513	0.5
69.03788	1.7
69.04202	0.5
69.07040	0.5
70.69065	0.3
76.33219	0.2
79.05509	0.3
81.03430	0.3
81.07066	0.5
84.08205	0.3
85.02891	0.3
85.06540	0.4
91.05479	0.4
93.07040	0.3
93.73013	0.3
94.42168	0.2
95.08617	0.3
97.06542	1.0
100.11246	0.2
105.07062	0.3
107.08578	0.3
119.08560	0.3
124.63401	0.3
125.09634	0.3
152.47701	0.2
163.03912	0.7
185.04251	0.4
203.05199	1.2
203.75214	0.3
215.07043	0.3
236.14902	2.6
259.07938	1.3
259.10132	0.5
260.10132	0.6
267.12100	0.4
275.20090	0.3
287.55841	0.3
331.09888	0.6
379.20776	0.9
379.24924	1.4
429.17197	2.2
443.18942	2.9
459.18451	1.0
501.77985	0.3
524.32166	0.4
528.12933	0.3
541.26160	100.0
542.26416	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.9
55.01866	4.6
55.05513	20.2
57.03436	3.3
57.07078	0.9
59.04992	1.3
60.44255	0.9
65.03945	1.0
67.05508	23.5
69.03427	2.3
69.07074	7.8
69.58403	2.2
69.58814	3.1
71.05003	1.7
75.69505	0.9
79.05498	20.8
79.99772	1.0
81.03431	5.7
81.07056	20.7
82.07391	1.4
83.04983	3.8
83.08621	11.0
85.06550	1.5
91.05484	16.2
93.07046	16.1
95.04980	6.1
95.08617	11.0
97.06533	2.0
97.10178	11.4
103.05477	1.3
105.07035	13.6
105.61961	0.9
107.04959	2.8
107.08600	11.0
109.06528	3.2
109.10143	5.8
111.04480	1.2
111.08091	1.2
115.05490	2.4
116.06284	1.1
117.07014	10.3
119.08586	10.9
121.00932	1.0
121.06528	1.5
121.10156	4.9
123.11707	1.3
125.09629	9.4
128.06253	3.9
129.07005	9.2
131.08568	12.2
133.10100	6.9
135.08093	3.3
135.11708	2.6
137.09705	1.4
137.13306	0.9
141.06953	4.9
142.07773	1.6
143.08556	12.7
145.06517	3.0
145.10146	9.8
146.42426	1.0
147.08043	2.0
147.11694	3.5
149.09627	1.4
150.92474	0.9
151.05205	0.9
153.06978	2.0
153.09100	1.9
153.12697	1.3
154.07851	1.3
155.08559	9.4
156.09317	2.3
157.06433	1.5
157.10146	10.4
158.89651	0.9
159.08063	2.6
159.11685	7.0
161.09621	2.1
161.13333	1.8
163.11130	1.6
165.06970	1.4
167.08611	3.7
168.09386	1.8
169.10165	8.1
171.08084	3.4
171.11705	9.5
173.09740	1.6
173.13330	2.8
174.80048	1.0
179.08566	2.5
180.09442	1.2
181.10170	5.1
181.12216	1.6
183.08107	1.7
183.11684	7.2
185.09628	1.6
185.13222	8.1
185.14514	0.8
187.11218	2.0
189.11208	6.4
193.10197	3.0
194.10880	1.2
195.08038	1.1
195.11719	4.3
196.12326	1.2
197.09590	1.3
197.13219	5.2
199.11162	2.0
199.14909	2.6
201.12868	1.9
207.11694	3.2
209.13283	3.6
211.11281	1.7
211.14917	1.6
213.12724	1.4
213.16426	1.5
221.13321	2.7
223.14873	1.5
225.12857	1.4
225.16518	1.2
227.12749	6.1
235.14833	1.8
237.16418	2.1
239.14305	2.4
257.19077	2.1
259.20651	2.7
279.21103	2.0
281.18909	1.5
295.20599	1.3
297.22018	8.2
307.20511	1.3
309.18787	1.2
315.23236	1.9
323.19934	1.0
325.21414	1.1
337.21664	1.2
339.23203	1.8
351.23279	1.2
352.35291	1.1
403.30194	1.1
413.28644	1.8
421.30969	1.8
431.29315	6.0
449.30460	12.1
467.31485	5.4
485.32706	3.9
523.34076	11.6
524.34247	1.8
541.35260	100.0
542.18744	4.8
542.35541	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	541.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.5
53.03942	9.2
55.01869	2.0
55.05513	27.3
55.24531	0.8
56.46762	0.7
57.03434	3.2
57.07073	5.3
58.07412	0.9
65.03951	5.3
67.05505	77.4
69.03439	2.6
69.07069	21.0
69.07355	0.6
70.06596	3.3
71.05000	3.5
71.08648	1.3
72.08145	0.9
73.06557	1.6
77.03928	1.9
79.05493	100.0
80.05840	1.9
81.03427	10.2
81.07057	70.5
82.07417	1.1
82.16209	0.8
83.04990	11.0
83.08623	12.0
84.08890	0.9
85.06565	3.7
85.10205	1.1
88.07637	3.3
88.65605	0.7
91.05481	72.4
92.05827	1.9
93.07043	89.8
94.07369	2.1
95.04964	22.2
95.08607	44.7
97.06527	5.4
97.10165	4.4
99.08087	1.1
100.13501	0.7
102.09174	1.9
103.05482	2.3
105.04550	4.8
105.07030	52.7
106.07329	1.3
107.04948	6.6
107.08595	32.3
109.06500	7.1
109.10155	15.2
109.10831	1.5
111.08101	3.2
113.09639	0.8
115.05467	2.0
117.07020	15.8
119.06142	1.0
119.08579	30.7
121.06525	2.1
121.10140	25.7
121.11018	1.4
123.08047	5.2
123.11742	2.9
127.07581	1.9
128.06204	4.9
129.07016	16.3
131.08585	15.1
133.06543	0.8
133.10126	16.1
135.08105	0.9
135.11690	11.6
137.09697	1.9
141.06996	1.7
141.09103	1.1
142.07788	1.2
143.08571	10.9
145.10120	15.6
147.08063	2.4
147.11682	33.6
148.12053	1.0
149.09590	1.1
149.13269	4.4
149.17690	1.0
155.08563	2.3
156.09398	1.6
157.10161	3.5
159.11691	6.9
161.09621	4.5
161.13258	18.1
163.11240	1.4
163.14806	1.5
169.10164	3.0
171.11694	25.3
173.13263	5.6
175.14848	2.0
177.12827	0.9
179.14362	1.2
181.10287	1.0
183.11700	3.2
185.13345	2.3
187.14804	1.9
189.12749	11.7
195.11784	1.3
197.13280	1.6
197.99088	0.8
199.14899	0.9
207.13785	25.5
209.13339	1.0
210.47029	0.8
211.14886	1.6
213.16501	0.9
225.14745	1.3
233.55324	0.8
242.64621	0.8
243.21147	1.0
256.26373	4.7
257.26746	3.4
261.22119	4.7
281.17419	1.5
311.29495	2.5
312.29874	3.3
317.25046	1.4
335.26044	1.3
396.94110	0.9
449.34247	2.9
467.35510	1.0
485.36240	1.1
523.37311	1.1
540.53729	2.6
541.38940	65.7
541.53290	16.0
542.39014	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	542.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34938	1.1
53.00303	3.7
53.03946	3.2
55.01865	9.0
55.05238	1.5
55.05509	26.1
57.03432	14.9
57.07068	1.3
58.06614	1.0
59.05005	5.0
60.08165	2.2
65.03943	1.2
67.05499	16.0
69.03445	1.5
69.05393	9.0
69.07060	2.9
71.01365	1.2
71.04990	4.5
79.05490	23.7
81.03426	13.5
81.07051	25.7
82.07436	1.1
83.01341	9.0
83.04971	11.2
83.08616	17.6
85.02908	3.5
85.06524	1.9
86.09706	2.5
91.05479	25.3
91.06013	1.9
93.07037	28.7
94.07387	1.1
95.04983	8.8
95.08606	8.6
97.02877	5.5
97.06545	5.7
97.10175	2.3
99.00806	18.7
99.04459	2.8
103.05428	1.3
104.10762	5.7
105.04573	1.2
105.07035	21.5
107.04922	8.7
107.08587	13.9
109.02872	7.6
109.06519	5.8
109.10146	5.7
111.04450	3.2
111.08074	4.4
115.03931	1.6
117.07016	7.6
119.08575	12.1
121.06497	9.6
121.10134	5.9
123.04411	2.0
123.08078	6.9
123.11671	1.5
125.00013	2.2
125.06062	1.0
127.03934	1.5
128.06180	1.6
129.07022	2.4
130.07800	1.2
131.08553	3.2
133.06523	2.4
133.10121	27.8
135.08005	1.9
135.11696	9.3
137.06004	2.1
137.09634	1.7
139.07532	2.9
140.26059	1.0
143.08499	5.4
145.06494	1.8
145.10117	11.3
147.08037	2.8
151.11186	9.6
153.12776	1.6
161.09608	15.7
163.11185	18.0
171.08055	3.1
173.09660	3.0
179.10663	8.5
181.12184	1.9
184.07359	6.9
189.09084	8.6
191.10672	1.7
197.11757	2.5
207.10167	2.1
209.11731	9.9
225.11205	16.7
227.12740	5.4
230.80870	0.9
236.14981	2.1
241.79010	1.0
243.12271	2.4
265.90048	1.1
265.93286	1.3
281.13803	5.3
283.15390	100.0
284.15753	3.5
299.14886	89.4
300.15289	3.6
316.99359	1.0
395.40347	1.0
489.24869	1.1
507.25836	53.3
508.26144	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	542.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70864	0.5
53.03954	2.6
55.01868	1.4
55.05513	3.5
55.38108	0.5
57.03444	1.0
57.07087	3.3
65.03927	0.7
67.05503	5.9
68.80865	0.5
69.03423	1.9
69.07063	3.2
70.06601	4.9
71.01359	0.7
76.26141	0.6
77.03974	0.5
79.05493	12.0
80.05846	0.5
81.03429	6.0
81.07056	100.0
82.07400	2.0
83.01356	1.1
83.04983	1.7
83.08621	2.3
85.02917	1.8
88.07633	7.3
91.05506	3.1
93.07053	4.8
95.04971	1.8
95.08611	15.6
97.02885	2.8
99.04453	1.3
102.09183	4.2
102.25292	0.6
105.03395	6.0
105.07043	2.3
107.04961	1.1
107.08592	2.3
109.02885	3.9
109.06518	1.1
109.10136	1.4
111.04544	0.6
117.07008	1.1
117.08074	0.6
119.08583	1.7
121.06425	0.7
121.10144	1.4
123.08060	1.0
125.09631	0.7
127.03908	6.2
131.08545	1.4
135.11684	1.6
137.13251	20.6
145.05037	0.6
145.10109	3.0
149.02289	3.5
149.05980	22.6
153.12787	0.7
154.15945	0.8
163.11182	6.2
173.09668	0.7
181.12210	1.1
191.10678	0.7
193.05014	3.0
209.11711	8.4
210.11980	0.8
227.12776	10.8
228.13168	0.8
228.23212	18.1
229.23630	0.8
229.29744	0.7
297.07492	4.2
341.10226	16.4
342.10754	0.8
353.15933	10.1
354.16202	0.8
371.17001	2.6
408.97833	0.7
501.65738	0.7
537.03632	0.6
542.30914	28.3
543.30951	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.2
55.05518	17.8
56.76330	2.5
57.03432	3.8
57.07088	13.4
58.82524	2.1
65.03951	6.6
67.05511	100.0
68.05831	2.9
69.03445	5.2
69.07074	14.9
70.43406	5.2
70.43777	4.7
71.05038	2.1
74.82384	2.1
79.05500	34.3
81.03452	3.1
81.07059	85.6
83.04990	12.5
83.08624	8.5
85.02924	9.3
85.06544	72.5
91.05483	21.5
93.07043	30.1
95.04981	5.0
95.08612	71.3
97.02882	3.3
97.06535	4.0
97.10173	6.5
105.07021	18.4
107.08598	17.9
109.10163	36.0
111.08041	3.3
111.11759	3.1
117.07072	7.3
119.08601	18.8
121.10163	17.9
123.11710	21.2
131.08594	10.7
133.10162	15.5
135.11662	11.7
136.38828	2.4
137.13284	9.7
145.10153	8.7
147.11703	8.9
149.13297	7.2
159.11803	5.7
161.13283	6.9
163.14815	4.0
165.12793	3.7
173.13271	3.4
175.14696	2.4
179.14337	4.2
181.24763	2.7
184.80293	2.3
187.14856	4.7
195.13879	4.0
199.18269	2.8
223.16971	3.1
242.90959	2.3
243.21101	8.2
254.54117	2.4
261.22104	14.8
275.20102	7.6
279.23212	29.1
345.27814	6.4
541.53870	4.0
542.33020	4.2
543.36646	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	542.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.4
55.05510	4.0
57.03439	0.6
57.07074	33.6
67.05502	5.9
67.68041	0.6
68.05838	0.6
69.07075	3.5
71.08630	25.3
71.29695	1.1
72.08950	0.7
73.06555	7.4
79.05483	3.9
81.03411	0.9
81.07051	5.4
83.04981	0.9
83.08620	3.5
85.09659	0.9
85.10180	21.6
87.04456	5.4
89.06027	100.0
90.06370	1.4
91.05468	4.4
91.07589	0.6
93.07053	4.3
95.04948	1.4
95.08607	3.8
97.06535	0.9
97.10146	3.7
99.11729	4.2
105.07011	5.2
107.04954	1.1
107.07082	2.5
107.08609	2.4
109.10152	1.8
111.11678	0.8
113.13280	1.1
117.07043	1.7
117.09126	4.3
119.08595	2.1
121.10143	1.3
123.08064	0.7
129.07008	1.6
130.08662	1.9
131.07047	1.3
131.08533	3.2
133.08598	46.7
133.10205	1.8
134.08894	1.0
135.10168	0.7
135.11722	1.8
136.08661	0.6
143.08531	1.0
145.10098	1.6
147.11691	1.2
155.17940	4.8
157.10165	0.7
159.11681	1.6
163.11189	0.9
171.11682	0.9
173.13254	1.1
173.41872	0.7
175.09741	0.8
177.09767	0.6
177.11211	17.2
189.11198	0.9
197.13190	1.1
199.20563	4.2
221.13795	2.9
239.14734	0.9
243.23213	5.8
273.92685	0.8
275.20013	1.3
276.20618	0.7
283.17496	1.5
287.25848	3.2
299.23734	0.8
327.20056	1.5
331.52176	0.7
371.22690	3.5
437.27252	0.8
509.76376	0.7
524.34247	0.8
525.40308	5.3
542.35040	3.4
543.36987	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	543.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	3.1
58.06588	0.8
71.30428	0.7
78.19818	0.6
81.07042	0.5
84.96040	0.6
97.06526	1.0
98.97576	1.2
102.27323	0.5
124.23846	0.5
131.00172	0.8
139.76189	0.6
143.03764	0.9
161.04893	2.0
202.59132	0.6
209.08511	1.1
227.09581	2.0
236.14909	1.7
237.15230	0.8
255.12762	0.8
280.89804	0.6
295.15671	6.7
305.14111	1.3
313.16898	0.7
337.16794	10.9
338.17465	0.8
346.18100	0.5
457.21298	1.9
499.22955	11.4
501.11810	1.0
525.20862	3.8
543.21960	100.0
544.22205	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	543.2203
Annotation	(7R,8S)-7'-Deoxo-2'-deoxy-2',3':7,8-diepoxy-7',5'-(ethylideneoxy)verrucarin A
Peak:m/z	Relative Intensity
56.96559	3.1
58.06588	0.8
71.30428	0.7
78.19818	0.6
81.07042	0.5
84.96040	0.6
97.06526	1.0
98.97576	1.2
102.27323	0.5
124.23846	0.5
131.00172	0.8
139.76189	0.6
143.03764	0.9
161.04893	2.0
202.59132	0.6
209.08511	1.1
227.09581	2.0
236.14909	1.7
237.15230	0.8
255.12762	0.8
280.89804	0.6
295.15671	6.7
305.14111	1.3
313.16898	0.7
337.16794	10.9
338.17465	0.8
346.18100	0.5
457.21298	1.9
499.22955	11.4
501.11810	1.0
525.20862	3.8
543.21960	100.0
544.22205	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	543.241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53690	0.6
67.05497	1.0
69.03423	0.5
69.83718	2.2
70.06588	2.3
71.04978	1.4
72.08134	1.2
80.05049	0.7
83.08595	0.7
84.04504	0.7
84.08149	4.0
91.05484	1.1
93.07047	0.6
95.08599	1.5
96.63890	0.8
107.08563	0.7
121.02874	0.6
121.10178	0.6
129.10294	0.8
130.06551	1.0
133.10095	0.6
137.05928	0.9
147.04378	1.1
159.09169	1.3
169.07559	0.5
170.06038	0.5
183.11330	0.8
196.11153	0.9
198.12637	0.7
203.05220	2.5
207.13554	0.7
212.08096	0.5
223.12320	1.8
227.05301	1.1
243.04791	1.1
245.06342	5.8
271.04364	0.6
277.17734	44.8
278.18158	1.8
279.19302	13.2
287.03708	19.1
289.05273	100.0
290.05511	2.6
295.18832	1.5
295.33362	0.5
362.60129	0.6
499.25104	5.5
525.28546	0.8
543.23895	79.8
544.24170	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	543.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.1
55.01871	5.0
55.05515	26.4
57.03438	4.4
57.07074	3.0
59.05008	1.8
61.84241	1.1
64.81886	1.0
65.03944	2.2
67.05510	40.6
69.03437	2.2
69.07070	12.7
71.05009	3.0
71.08644	2.0
77.03954	0.9
77.83563	0.9
79.05497	35.5
80.05825	1.0
81.03413	6.8
81.07062	36.0
81.07532	2.1
83.01343	2.7
83.04991	6.6
83.08620	11.6
85.02901	1.3
85.06541	2.3
89.06045	2.1
89.30868	1.0
91.05489	30.9
92.05861	1.2
92.96758	0.9
93.07049	35.6
93.07635	2.0
95.04984	8.8
95.08611	23.3
97.02911	1.7
97.06530	4.1
97.10176	11.9
99.08115	1.3
101.79671	1.0
104.10751	2.5
105.04492	1.2
105.07036	23.4
107.04932	5.0
107.08603	20.4
109.06537	3.9
109.10162	11.6
111.08112	2.3
115.05489	1.8
117.07023	14.0
119.08583	15.0
121.06525	2.1
121.10148	14.9
123.08092	4.0
123.11722	2.7
125.09635	7.8
128.06230	2.6
129.06999	6.6
130.07803	1.6
131.04942	1.4
131.08566	17.6
131.74420	0.9
133.06523	1.3
133.08640	1.7
133.10127	11.0
135.08075	2.7
135.11713	10.2
137.09645	1.7
141.07019	3.0
142.07741	1.0
143.08551	8.2
144.09259	1.3
145.06528	1.8
145.10141	16.8
146.10448	1.0
147.08057	2.3
147.11702	7.1
149.09656	2.0
149.13303	3.5
153.09152	1.7
153.12784	2.4
155.08598	3.6
157.06528	1.2
157.10144	6.9
159.08099	2.0
159.11699	11.5
161.09619	1.1
161.13341	3.8
163.11179	9.9
163.14940	1.7
167.08670	1.0
167.76865	0.9
169.10190	4.8
171.08133	2.2
171.11674	6.2
173.09648	3.7
173.11983	1.7
173.13231	7.4
175.14798	2.0
177.12807	1.2
179.08551	1.1
181.10143	3.4
181.12349	2.1
183.11725	5.4
185.09627	1.2
185.13303	3.9
187.11206	2.6
187.14874	3.3
189.11227	4.6
191.10704	1.7
193.10161	1.0
193.12274	1.5
195.11743	1.7
197.13324	3.0
199.11174	1.7
199.14865	2.9
201.12802	2.3
201.16431	1.4
209.11696	2.1
209.13414	2.0
211.14864	2.0
214.94890	2.0
215.14290	1.2
221.13448	1.7
223.14999	1.3
227.12721	6.8
229.16043	1.2
235.14934	1.2
241.19476	1.6
243.21274	1.7
257.19128	1.2
259.20667	2.2
261.18805	1.0
261.22095	5.5
267.15842	1.9
275.20251	2.3
277.21838	1.3
283.20602	2.1
297.22287	1.2
299.23648	12.5
301.21829	1.0
317.24847	1.9
325.21094	1.2
339.23325	1.1
355.26968	1.1
423.32458	2.1
433.31030	5.1
451.32132	9.0
469.33051	4.1
485.26230	1.3
487.34183	2.1
507.34814	2.1
525.35797	14.0
526.35968	2.3
543.36835	100.0
544.37109	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	543.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.6
55.01878	4.9
55.05512	22.2
57.03437	5.6
57.07085	1.8
57.77927	1.0
59.04991	1.6
65.03957	2.1
67.05508	34.5
69.03449	1.6
69.07059	10.1
69.89204	2.9
70.06599	1.5
71.05005	3.5
79.05495	30.4
80.05850	1.1
81.03429	7.9
81.07056	32.6
82.07394	1.7
83.05003	3.9
83.08621	11.8
85.02889	1.5
85.06562	1.9
88.07667	1.4
91.05485	23.9
91.06014	1.8
93.07050	23.6
95.04975	7.1
95.08615	17.8
97.06562	3.6
97.10164	9.7
98.23277	1.3
103.05479	1.2
105.03390	1.4
105.07032	23.1
105.07670	2.0
107.04989	5.0
107.08603	16.6
109.06543	4.1
109.10162	9.5
111.04475	1.2
111.08105	1.9
113.09641	1.0
115.05476	2.8
116.06267	1.8
117.07014	14.8
119.08583	17.5
121.06514	2.3
121.10149	9.7
122.31006	1.1
123.08118	2.8
123.11727	2.6
125.09609	7.4
128.06276	3.5
129.07013	11.4
129.07726	1.0
130.07825	1.7
130.95491	1.2
131.08568	21.3
132.08693	1.2
133.06503	1.9
133.10129	12.0
133.10936	1.2
135.08104	3.7
135.11690	5.4
141.06992	2.8
142.07806	3.1
143.08560	11.3
145.06534	4.3
145.10124	16.2
146.10397	1.2
147.08098	2.5
147.11699	8.6
149.05991	5.2
149.09648	3.4
149.13304	1.8
150.06273	1.3
153.09206	1.7
155.08553	6.6
156.09370	1.8
157.06512	1.5
157.10124	15.2
159.08066	5.4
159.11690	13.4
161.09615	2.7
161.13332	4.6
163.11270	4.0
165.12874	1.6
167.08678	3.8
169.10168	8.2
171.08141	2.2
171.11708	9.7
173.09685	3.1
173.11919	1.7
173.13196	5.4
175.11267	2.5
175.14986	1.2
181.10115	6.2
183.11667	6.8
185.09676	1.5
185.13235	7.1
187.11215	2.4
187.14922	4.7
189.11281	3.4
193.12222	2.6
195.11740	4.2
197.13371	4.7
199.11293	2.1
199.14882	4.1
207.11804	2.3
209.13377	3.1
211.11334	1.8
211.13210	1.7
211.15001	2.6
213.12823	2.1
223.14957	1.9
227.12849	3.1
228.23294	2.9
229.23590	2.6
251.62047	1.3
257.18835	1.5
259.20587	5.7
267.16077	3.2
275.20297	3.2
283.20724	3.0
297.22263	3.2
299.20557	1.5
299.23828	4.5
315.23215	1.4
333.24289	2.2
339.23239	2.3
341.10367	2.1
342.10733	2.5
357.24231	1.9
415.29727	2.0
423.32333	2.2
433.30667	6.7
438.47998	1.3
451.31979	12.5
469.33337	3.5
507.34787	1.9
515.37854	1.6
525.35767	19.5
526.36707	2.2
543.36963	100.0
544.37360	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	544.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.5
54.03472	0.3
54.98226	0.2
55.86185	0.3
56.80421	0.3
67.05502	0.4
68.05030	4.8
69.03425	0.5
70.06594	2.2
70.56060	1.0
79.05473	0.4
80.05017	30.8
81.04534	0.8
84.08141	0.8
85.02902	0.6
86.08195	0.3
91.05481	0.5
91.06015	0.3
92.05141	0.3
93.05785	0.3
93.07043	0.3
94.06599	0.5
95.06091	69.1
96.06404	1.2
97.02877	0.5
97.03973	0.4
112.05099	0.5
114.79893	0.3
119.04906	0.3
121.03985	1.4
121.10172	0.3
123.66882	0.3
130.06549	0.7
138.05531	1.6
139.05013	1.3
147.04366	1.4
147.09169	0.8
157.07607	0.6
159.07910	0.8
163.03876	0.8
172.08629	0.8
174.10268	100.0
175.10603	2.3
203.08177	0.3
218.09251	8.8
236.10150	0.6
302.15060	0.5
339.11987	0.7
394.19315	0.5
409.39352	0.3
412.20477	0.4
544.29614	0.7
545.15839	0.5
555.86719	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.01883	2.2
65.03952	2.4
67.05498	4.5
69.03419	2.1
69.93855	5.2
70.06583	2.3
73.02921	1.9
79.05516	2.6
83.04983	4.6
85.02917	5.7
85.06541	11.9
90.88764	1.4
91.05489	9.6
93.48597	1.5
94.04170	2.4
95.04979	4.6
97.02923	2.3
102.04688	6.4
103.05487	5.4
105.07030	9.5
107.04925	2.5
107.70966	1.6
115.05469	2.1
119.04945	12.4
121.02860	1.7
121.06501	18.2
122.03668	5.5
127.03929	2.0
130.04147	7.0
131.04918	3.0
133.04982	4.1
133.06508	6.4
134.03656	2.3
135.04442	7.6
137.05974	100.0
138.06303	2.6
147.04410	23.4
149.05984	16.3
150.06755	11.5
151.03891	13.5
151.07515	2.2
153.07048	1.6
161.05981	31.7
162.06761	44.5
162.08095	2.5
163.03944	3.4
163.07495	3.3
165.05469	2.9
177.05591	1.9
177.85739	1.6
178.02644	3.7
179.05614	3.5
179.07051	5.6
181.05016	2.9
181.06474	3.1
188.43553	1.3
193.04964	18.2
196.05244	3.0
205.04955	3.0
211.07616	2.0
213.05495	1.7
216.71120	1.5
223.06049	2.5
226.57271	1.7
239.07036	2.2
263.11121	2.2
297.07568	27.5
299.09128	24.0
304.79187	1.5
311.09344	2.3
317.10175	20.1
329.10126	31.7
330.10651	2.2
347.11298	3.7
527.63281	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	6.5
53.03950	8.8
55.01872	14.3
55.05511	53.8
57.03435	34.6
58.06594	37.9
59.04995	5.4
59.07380	19.2
60.08163	8.3
67.05505	62.8
69.03431	6.4
69.07064	21.8
71.04990	10.9
73.02906	4.6
79.05493	62.8
81.03415	88.6
81.03866	6.9
81.07056	62.1
83.01333	6.4
83.04979	31.9
83.08623	38.2
85.02909	31.3
85.06532	6.3
87.04488	4.1
89.21558	3.8
91.05478	78.7
91.06019	6.7
93.07047	51.3
95.04969	49.9
95.08606	27.6
97.02877	9.0
97.06522	15.8
97.10167	8.8
99.00825	24.3
102.05540	10.0
105.07044	57.8
107.04953	23.8
107.08606	29.5
109.02879	15.9
109.06538	11.6
109.10170	13.4
111.04427	8.5
111.08090	19.8
113.05996	6.6
115.05446	5.7
117.07014	19.4
117.07874	10.5
119.08586	36.7
120.08957	3.3
121.06517	10.5
121.10144	15.5
123.08060	9.1
123.11714	7.2
124.92046	3.5
125.05895	4.4
125.09658	4.9
128.06252	6.1
129.06993	16.5
129.16730	3.6
130.08670	3.8
131.08600	19.4
133.10114	52.4
134.10425	4.0
135.08044	8.3
135.11687	11.2
137.05925	3.8
137.09575	6.8
140.97182	4.2
142.07776	4.6
143.08542	7.6
144.10182	8.1
145.10075	18.2
147.08080	4.9
147.11673	17.0
149.09636	11.8
151.11235	17.4
157.10130	16.4
160.09718	7.8
161.09665	23.3
163.11174	22.9
165.12720	5.0
173.09673	6.5
175.11182	16.7
179.10706	13.2
181.12198	4.9
189.09105	9.3
193.12230	67.4
197.11777	6.8
207.10088	7.3
209.11731	12.1
211.11307	5.5
211.13277	91.4
225.11156	27.3
227.12798	9.8
230.07532	4.5
236.14922	83.9
243.12326	5.5
267.15897	23.4
281.13742	6.5
283.15433	59.9
285.16977	67.0
286.40640	3.5
290.16043	8.8
299.14893	100.0
300.15237	7.7
301.16391	8.6
416.26590	8.5
477.73828	3.9
491.26382	38.3
494.34576	4.7
509.27505	63.4
510.27777	6.1
510.34415	8.2
526.33600	5.2
544.34552	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	544.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57690	0.2
53.03952	0.3
55.01868	0.3
55.05508	0.8
56.05032	0.7
57.03434	0.3
58.06366	0.2
58.06624	0.6
60.08165	6.8
60.48270	0.2
65.03949	0.3
67.05502	1.6
69.07069	0.8
71.07373	3.7
71.08632	0.2
71.29781	0.2
79.05482	1.4
80.05842	0.2
81.03388	0.3
81.07057	1.7
82.07403	0.3
83.04977	0.4
83.08613	0.4
86.09704	33.3
87.10052	0.5
91.05482	1.5
93.07050	1.7
94.07343	0.2
95.04956	0.6
95.08598	0.8
97.06521	0.5
97.10216	0.3
98.98466	3.4
99.08094	0.2
104.10741	3.5
105.07024	1.2
107.08613	1.0
108.08907	0.2
109.06489	0.3
109.10149	0.6
112.38010	0.2
117.07033	0.7
119.08599	0.7
121.10153	0.5
125.00002	24.1
129.06952	0.3
131.08542	0.5
133.10149	0.5
135.11639	0.4
143.00952	0.3
143.08600	0.4
145.10089	0.5
147.11717	0.3
157.09991	0.3
159.11742	0.2
171.11746	0.3
173.71696	0.2
184.07336	100.0
185.07668	1.6
258.10965	0.3
275.19943	0.2
291.19449	0.5
308.46686	0.2
352.96808	0.2
362.29068	0.2
388.53519	0.2
526.33179	0.6
544.36444	1.3
545.35284	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52747	0.5
55.01870	0.7
55.05507	2.2
56.05035	2.0
57.03443	0.6
57.07082	0.9
58.06608	1.1
59.07403	0.6
60.08164	18.3
67.05507	5.3
69.03414	0.7
69.07067	2.1
71.04990	0.5
71.07374	7.8
71.08643	0.6
71.30058	0.6
79.05484	3.8
81.03432	0.6
81.07059	5.1
82.07396	0.6
83.04968	0.6
83.08613	1.2
85.44622	0.5
86.09705	53.7
87.10042	1.0
91.05479	6.5
92.05809	0.7
93.07063	4.2
95.04978	1.3
95.08605	3.2
97.06568	0.9
97.20493	0.5
98.98457	4.6
102.05539	0.5
104.10743	96.9
105.07027	4.1
105.11099	1.4
107.08588	2.4
109.02885	0.7
109.06500	0.6
109.10158	1.3
115.05461	0.4
117.07013	1.6
119.08575	1.9
121.10135	1.1
125.00002	29.0
127.03905	0.6
129.05475	0.8
129.06989	0.9
131.08575	1.7
132.08972	0.6
133.10110	1.9
135.11653	0.8
136.12051	0.6
145.10123	1.3
147.11713	1.1
149.09599	0.6
151.11195	0.8
157.10040	0.6
159.11708	0.6
161.09624	0.5
163.11130	0.6
171.11679	0.8
184.07339	100.0
185.07687	1.3
185.13168	0.6
192.49020	0.5
200.66939	0.4
216.18088	0.4
250.34866	0.5
258.10995	1.3
275.20047	0.9
417.45483	0.6
485.25311	1.0
526.32904	7.2
544.33795	20.5
545.34082	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
55.05511	2.5
57.03442	7.0
58.06600	54.4
59.07384	29.8
60.08164	10.7
66.90080	0.5
67.05508	4.7
69.03431	0.9
69.07063	2.2
69.08557	4.0
73.02908	1.3
75.04478	2.6
79.05488	4.2
81.03404	1.6
81.07051	2.7
82.55335	0.4
83.04969	1.4
83.08608	1.0
84.08140	2.1
85.02903	2.2
85.06523	0.6
87.04473	3.5
91.05477	2.2
93.07035	3.2
95.04963	1.5
95.08602	2.2
97.02901	0.8
97.06547	0.8
97.10149	0.9
102.05537	11.7
103.03934	0.9
105.05595	0.6
105.07029	1.4
107.04949	2.1
107.08597	1.1
109.06505	0.9
109.10131	2.1
111.04439	0.5
113.06004	0.9
116.10736	0.6
117.07059	1.2
117.07866	17.2
119.08572	1.3
121.06505	0.7
121.10146	0.7
123.08051	0.9
129.05481	1.2
130.08606	1.9
131.07040	1.3
131.08583	1.0
133.10138	0.7
135.11688	1.5
135.25853	0.5
144.09109	0.9
144.10196	14.0
145.10069	0.8
147.85931	0.6
149.09627	0.9
160.09695	5.9
162.11264	12.2
163.11214	1.5
181.12247	0.6
200.12869	1.6
205.12216	1.3
209.11618	1.2
216.23468	0.5
217.13045	3.7
218.13908	2.7
223.13370	1.0
227.12857	0.5
234.13303	4.3
236.14920	100.0
237.15236	3.4
260.14960	0.5
270.14548	0.6
272.15021	2.4
277.15244	2.0
283.15393	4.4
286.16696	0.7
290.15973	9.0
291.13147	0.7
300.18024	1.0
301.16385	1.1
304.17505	1.6
309.14218	1.3
318.19040	1.6
332.20645	0.7
346.21960	0.8
353.19608	3.5
354.19821	0.5
358.22400	0.6
360.23654	0.8
372.23752	4.1
381.19138	2.7
386.25107	0.7
390.24841	10.5
391.25040	0.8
398.25259	1.7
404.26498	0.6
412.27252	0.6
416.26443	5.2
421.25699	1.2
440.26422	7.3
458.27451	4.0
481.34338	0.6
491.26389	1.2
492.33005	2.4
508.32516	1.9
509.26978	0.7
510.34311	11.7
511.34515	0.7
526.33643	5.1
544.34790	12.4
545.34924	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.7
55.01863	3.0
55.05509	16.9
57.03439	16.6
57.07079	43.9
64.31749	1.7
64.86445	1.7
67.05505	44.5
69.03426	6.8
69.07081	17.8
70.79832	3.9
71.05008	5.1
71.08630	25.0
74.03105	1.6
77.10185	1.6
79.05483	19.0
81.03411	9.1
81.07056	42.5
83.04987	5.8
83.08613	11.5
85.02906	4.7
85.06501	2.6
85.10184	15.1
89.06049	2.2
91.05488	42.6
93.07026	14.3
95.04974	22.5
95.08605	29.5
97.06550	3.6
97.10181	3.3
99.04456	4.0
99.11711	2.1
105.07031	18.6
107.04961	3.5
107.08611	5.4
109.10166	13.5
110.10454	2.0
111.11712	2.0
115.05503	1.9
117.07030	6.9
119.08581	11.1
121.10180	5.8
123.08044	3.5
123.11729	6.0
128.06183	3.2
131.08578	3.0
133.10150	15.5
135.08081	3.1
137.09622	5.2
139.11160	2.0
143.08595	5.2
145.52156	1.5
145.53345	1.5
149.09650	2.0
151.11189	6.7
161.09634	7.9
179.10725	9.2
180.69429	1.7
197.11766	4.3
239.23764	5.1
253.14407	6.7
271.15399	88.5
272.15842	3.1
313.27359	100.0
314.27664	3.8
348.43988	2.1
463.30957	2.1
474.50696	1.8
509.38391	36.0
510.38840	2.8
519.65222	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	545.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59768	0.9
56.96579	2.1
57.00869	0.9
58.12738	0.9
59.53558	1.0
61.73686	0.9
69.03433	3.4
69.39548	0.9
69.93236	3.2
70.99860	1.2
77.30572	0.9
81.03420	6.2
82.99870	2.1
83.04980	1.0
85.01419	1.3
85.02934	1.7
93.03422	1.7
97.02900	1.5
98.97580	3.7
99.04445	1.3
101.00254	1.9
101.00884	18.9
103.02457	3.4
107.03471	2.1
113.00906	1.6
116.98645	1.7
119.01927	29.4
121.03538	2.0
125.04498	3.7
127.02433	3.6
131.01927	5.0
133.03482	2.5
135.02902	0.9
137.02977	2.4
139.02390	1.1
141.03984	1.9
143.01918	14.0
145.03473	15.6
147.01389	6.5
151.06088	1.6
153.03969	10.0
155.00134	1.3
155.01939	4.2
156.02644	1.9
157.03496	8.5
159.05014	2.4
161.01582	1.4
161.02979	15.4
163.04399	1.8
165.02489	4.4
169.03500	2.3
170.99812	1.3
171.01430	1.4
171.05037	22.9
171.08440	1.0
173.02971	2.9
175.04427	2.2
177.00737	1.1
177.03966	1.2
179.01910	2.2
179.05573	2.7
181.03459	6.8
183.05023	1.6
185.03014	2.3
189.02461	9.9
193.03551	1.6
195.05038	8.0
197.02988	6.2
197.06577	7.0
199.04547	13.7
200.04857	1.0
201.06084	1.1
203.04002	7.2
209.09348	1.0
211.04524	1.8
213.06053	1.4
215.04070	3.3
215.07626	1.5
221.03012	2.7
221.05064	31.3
222.05626	1.3
223.04507	4.5
237.02986	0.9
238.86098	1.1
239.04086	2.6
241.05559	6.5
245.05136	5.9
257.05328	1.9
259.06607	1.1
267.03470	3.5
271.06631	4.8
276.85587	1.0
283.05841	0.9
285.04507	6.7
301.07715	14.6
303.05777	1.3
313.00607	1.0
319.09052	1.0
319.65518	1.1
327.05621	100.0
328.05820	7.4
339.05630	3.4
345.06708	25.6
346.06830	1.6
365.06781	2.1
368.08038	1.4
383.08139	5.7
387.07739	2.0
401.79892	1.0
469.17935	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.311
Annotation	CHEBI:69141
Peak:m/z	Relative Intensity
51.02385	1.7
51.72716	1.5
53.03936	10.1
53.85746	1.4
55.01870	23.8
55.05246	1.9
55.05511	39.6
55.05764	2.8
57.03443	11.2
57.07067	1.7
59.05014	5.1
65.03945	4.4
67.05505	67.0
69.03425	14.4
69.06684	3.3
69.07065	62.7
71.04988	7.5
71.08624	2.3
71.29009	1.7
71.87876	1.3
79.05491	100.0
80.68701	1.4
81.03419	25.1
81.07055	70.1
83.01347	11.2
83.04980	21.8
83.05445	1.4
83.08620	17.0
85.02921	6.3
85.06582	3.5
91.05480	91.9
93.07039	77.7
94.07401	2.3
95.04971	24.4
95.05551	1.9
95.08604	35.1
95.09161	2.1
97.02885	18.7
97.06520	17.5
97.10179	5.7
99.04495	2.3
99.08128	2.5
103.03973	1.3
103.05471	3.6
105.04528	2.5
105.07030	47.8
107.04957	33.9
107.05605	2.5
107.08595	44.1
109.06521	17.7
109.10139	12.0
111.04485	6.6
111.08099	5.9
112.35398	2.2
115.05497	4.1
116.06288	1.5
117.07021	25.9
119.08578	49.1
121.06519	15.4
121.10136	55.0
123.04495	3.4
123.08073	20.7
123.08785	1.7
123.11758	2.7
125.06052	5.1
125.09641	6.9
128.06235	5.0
129.05547	1.7
129.06996	16.4
130.07861	3.7
131.08566	41.6
133.06526	5.5
133.10123	26.9
135.08049	14.3
135.11691	19.7
135.12508	1.4
137.09656	5.7
139.07605	3.2
142.07837	2.5
143.08534	15.1
145.06572	1.9
145.10118	35.1
147.08058	17.2
147.11670	8.0
149.06042	3.7
149.09613	26.5
151.06558	1.6
151.07484	8.1
151.11255	4.5
153.09244	1.7
153.12793	3.9
155.08635	5.9
157.10132	11.1
159.08072	3.1
159.11749	4.7
161.09567	8.4
161.13327	5.4
163.07584	2.3
163.11183	38.5
163.12460	2.7
165.09186	6.5
169.10197	2.4
170.10883	1.6
171.11783	6.3
173.09688	6.9
173.13281	3.7
175.11169	3.6
175.14880	2.3
177.09154	4.4
177.12692	1.6
181.10222	2.4
181.12195	7.0
183.11784	3.1
185.13319	2.0
187.11249	2.2
187.14888	2.3
189.11156	2.0
189.16359	8.5
191.10677	9.4
195.10233	2.1
197.13234	2.2
199.14830	16.3
201.12891	2.6
201.16483	4.5
203.14450	3.7
209.11673	13.2
213.07098	1.5
217.15837	12.5
219.17575	2.2
223.09595	3.5
223.13306	2.7
227.12827	5.6
227.14490	5.5
235.17110	1.9
245.15349	19.5
246.34842	1.5
253.14452	3.4
263.16400	15.6
281.17712	2.6
283.15363	35.8
284.15878	2.2
291.19595	11.6
295.62302	1.5
303.19669	1.6
319.19348	4.5
337.20209	2.8
391.21494	4.4
527.30188	2.9
527.37616	3.5
545.31305	81.1
546.31622	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	545.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.7
53.03946	8.2
54.46669	0.9
55.01878	5.4
55.05511	36.5
57.03440	12.2
57.07077	4.2
59.05020	1.2
61.37784	1.0
65.03941	4.7
66.59426	1.0
67.05506	86.8
68.05821	1.2
69.03433	3.9
69.07068	23.7
71.05000	8.0
71.08640	6.5
77.03922	2.1
79.05493	79.4
80.05843	2.1
81.02931	1.8
81.03419	52.9
81.07056	81.6
81.50635	1.1
82.07387	1.1
83.04979	13.8
83.08620	28.9
85.02908	23.3
85.06551	3.8
85.10191	2.3
87.04512	1.7
89.06037	9.3
91.05483	63.5
92.00535	1.0
92.05810	1.5
93.07044	80.5
94.07374	2.1
95.04971	28.7
95.08606	50.4
96.08942	2.1
97.02905	3.4
97.06542	7.5
97.10173	10.9
98.23344	3.1
99.08096	2.2
102.50787	1.2
103.05476	2.0
104.49288	1.1
105.04529	3.3
105.07028	44.4
105.10535	1.1
106.07362	1.4
107.04948	6.4
107.08595	38.0
109.06511	7.6
109.10157	22.4
111.04451	2.4
111.08086	14.4
113.06042	3.2
115.05472	3.2
117.07027	13.6
119.08583	38.8
121.06518	6.6
121.10141	32.9
121.11014	1.5
122.10483	1.6
123.08089	4.7
123.11710	8.5
125.09649	5.8
127.11172	1.1
128.06218	2.1
129.07019	12.9
131.08566	30.1
131.09502	2.0
133.06487	2.6
133.08606	6.5
133.10132	24.4
135.08086	2.7
135.11694	19.5
137.09656	3.4
137.13313	2.0
138.93819	1.0
139.11212	1.2
141.07005	1.2
142.07819	3.5
143.08542	6.8
145.06436	1.6
145.10115	17.1
147.03348	1.2
147.08070	4.2
147.11684	24.5
147.12762	1.9
149.09657	6.3
149.13245	9.8
151.11153	1.8
155.08597	3.0
157.10123	18.7
159.11688	10.0
161.13240	9.9
163.11217	2.8
163.14839	3.0
165.09146	1.9
165.12808	2.9
169.10146	2.5
171.11699	5.5
173.09561	1.9
173.13264	7.3
175.11176	15.9
175.14793	2.2
177.11258	2.1
177.12743	2.1
179.14337	2.4
179.20789	1.1
181.10165	2.8
183.11755	3.4
185.13217	5.4
187.14857	4.7
189.11235	3.8
189.16380	1.5
191.14467	1.3
193.12244	54.7
193.94484	1.1
194.12555	1.6
195.11832	1.2
197.13423	3.2
199.14890	2.5
201.16408	2.0
207.11748	1.1
209.11610	1.5
211.13277	50.8
212.13512	1.3
215.18077	1.1
225.16383	2.3
227.12804	4.0
227.17769	1.2
239.17900	1.3
243.21097	2.6
247.20541	2.0
249.14821	1.7
259.20602	1.1
261.22113	11.0
267.15961	7.7
269.17090	1.1
273.22214	1.6
277.21625	2.1
278.46698	1.2
285.22217	3.1
291.23309	3.2
301.25284	4.6
303.23297	3.9
313.21768	1.2
317.24780	2.1
335.25912	5.8
359.25949	2.2
403.23178	1.9
417.31699	1.6
435.32547	6.6
453.33789	8.1
471.34827	4.2
491.34918	1.2
501.36148	1.2
509.36523	2.9
527.37317	26.8
528.37866	2.3
545.30621	43.3
545.38300	100.0
546.30945	4.3
546.38568	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	545.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.5
53.30958	1.5
55.01879	7.2
55.05243	1.9
55.05511	40.4
57.03442	11.6
57.07076	4.5
59.05012	2.4
65.03947	5.7
67.05507	81.6
68.05831	2.9
69.03440	5.9
69.07074	23.7
71.04998	5.7
71.08633	4.9
77.59598	1.6
79.05495	60.3
80.05836	2.4
81.03422	28.4
81.07059	81.5
83.04976	9.0
83.08625	26.5
85.02908	2.6
85.06562	4.5
89.06040	2.3
91.05480	46.8
93.07046	52.3
94.07397	1.6
95.04964	23.4
95.08611	58.4
97.06532	7.4
97.10172	26.0
98.23389	3.1
99.04419	2.2
99.08099	3.5
105.07035	42.1
107.04945	8.3
107.08593	36.9
109.06504	8.3
109.10157	32.1
111.08106	7.8
111.11781	1.6
115.05450	2.5
117.07028	20.1
119.08584	35.4
121.06531	11.5
121.10147	28.1
123.08035	8.5
123.11714	11.0
125.09630	19.2
128.06279	2.9
129.07014	10.8
131.08575	29.6
133.06497	4.3
133.10132	21.4
135.08055	10.6
135.11681	17.1
137.09651	3.9
137.13290	4.0
141.06995	3.4
142.07784	2.9
143.08583	10.7
145.06628	1.9
145.10115	22.6
147.08057	5.3
147.11681	16.2
149.09653	4.6
149.13275	8.6
150.98479	1.7
151.11157	2.8
155.08609	4.9
157.10130	14.1
159.08119	2.8
159.11681	13.3
161.09712	2.9
161.13266	11.4
163.11189	8.1
163.14775	2.6
165.12833	3.7
167.08571	1.9
167.47993	1.5
169.10173	6.4
171.11714	8.8
173.09634	3.1
173.11823	3.7
173.13313	9.2
175.11241	6.6
175.14868	6.0
177.12856	3.4
179.14336	3.6
181.10170	2.3
183.11734	6.6
185.13269	5.2
187.14897	4.5
189.11249	10.8
189.12738	2.7
189.16440	1.8
193.12207	8.6
195.11746	3.5
197.13396	3.9
199.14857	4.1
209.13258	2.0
211.13141	2.7
211.14943	2.3
213.16455	2.8
227.12727	14.2
243.21080	2.9
247.17108	3.4
261.19373	2.3
261.22141	14.9
262.22507	2.2
267.15958	19.1
267.20969	2.0
268.16174	2.1
273.18521	2.3
277.21744	2.9
279.23303	3.1
285.22211	6.0
299.23856	2.7
301.21869	2.7
301.25189	23.3
317.25006	2.4
319.26193	2.0
327.22751	1.8
335.25821	15.2
343.22543	2.1
359.25424	2.0
417.31454	4.6
421.26028	3.2
435.32742	10.4
453.33850	18.0
454.34265	2.5
471.34653	13.5
509.36185	2.8
527.37335	50.3
528.37677	5.8
545.30847	12.4
545.38379	100.0
546.38959	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	545.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01575	1.6
51.02376	2.3
53.00342	0.8
53.03944	7.0
55.01871	6.0
55.05510	39.4
56.05820	1.2
57.03162	1.3
57.03435	16.7
57.07078	4.6
59.04994	1.8
62.95887	1.1
65.03932	6.0
65.32744	0.9
67.05502	90.8
68.05846	1.4
69.03426	6.7
69.07066	24.1
71.05000	8.8
71.08637	2.3
77.03941	1.4
79.05489	88.6
80.05833	1.6
81.02930	2.4
81.03416	59.9
81.07053	95.5
82.03755	1.3
82.07391	1.6
83.04977	16.2
83.08617	31.5
85.02901	29.5
85.06541	3.0
89.06062	1.4
91.05477	75.3
93.07040	88.3
94.07374	1.5
95.04965	36.6
95.08602	55.7
97.02889	3.1
97.06525	8.6
97.10164	11.2
99.08083	1.5
103.05471	3.0
105.04524	3.2
105.07029	56.6
107.04953	7.6
107.08592	36.5
109.06503	8.1
109.10158	19.5
111.04448	2.8
111.08071	15.2
113.05976	1.8
115.05463	4.5
117.07011	16.0
119.04974	1.1
119.08577	37.7
121.06501	2.8
121.10140	37.1
122.10545	1.4
123.08072	5.4
123.11701	8.0
125.09596	6.1
128.06194	1.5
129.06990	16.4
130.07756	1.1
131.08562	32.6
133.06494	3.3
133.10129	23.7
134.10426	1.2
135.08061	1.7
135.11685	18.8
137.09641	2.9
137.13249	1.4
139.11130	1.5
141.06978	1.7
142.07765	4.1
143.08601	3.7
145.06467	1.1
145.10106	16.8
147.08051	4.8
147.11670	23.2
149.09604	6.8
149.13261	6.8
151.11140	2.3
154.05043	2.3
155.08553	2.8
157.10130	17.5
159.11691	11.7
161.09592	1.6
161.12141	1.0
161.13213	6.3
163.11223	1.6
163.14825	3.3
165.12782	4.0
167.08571	1.2
169.10127	3.3
171.11731	3.4
173.13199	7.7
175.11192	16.8
175.14871	3.5
177.12706	1.2
177.16412	1.1
181.10245	1.1
183.11723	3.4
185.13272	3.5
187.14833	4.7
189.11253	3.4
193.12234	58.6
194.12567	1.6
197.13255	2.3
199.14900	2.0
201.16415	1.2
209.13271	1.7
211.13274	58.9
212.13687	2.4
227.12779	4.5
243.21021	1.7
261.22186	10.4
267.15857	6.8
273.22202	1.4
279.23190	1.2
283.24091	1.3
285.17004	1.5
285.22107	1.7
299.20218	1.2
299.23544	1.2
301.22171	1.4
301.25153	5.5
303.22986	1.4
317.24881	2.5
333.24152	1.2
335.25784	6.0
359.25659	1.8
417.31531	1.8
435.27582	1.1
435.32498	5.7
453.33563	7.1
471.34634	3.6
509.36044	1.3
517.38867	1.1
527.37268	24.4
528.37427	1.9
545.38306	100.0
546.38708	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	546.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61248	0.4
55.01876	1.8
55.05513	1.9
57.03439	6.3
58.06601	60.1
59.07383	35.8
60.08167	8.0
65.03931	0.5
67.05508	3.9
69.03424	0.5
69.07078	1.2
71.04995	0.5
71.07777	0.6
71.08630	0.8
73.02917	1.2
75.04486	3.4
79.05484	2.4
81.03424	1.0
81.07040	2.1
83.04987	0.7
83.08615	0.6
84.08144	2.4
85.02887	2.2
86.09724	0.9
87.04476	4.6
91.05508	2.2
93.07069	1.6
95.04982	0.8
95.08628	0.7
97.06537	0.8
102.05544	16.5
103.03957	1.0
105.05550	0.6
105.07050	1.5
107.04958	1.1
107.08585	0.6
109.10161	1.1
113.06019	0.8
115.84364	0.4
117.07876	18.9
119.08578	1.0
121.10201	0.4
129.05493	0.6
130.08652	2.7
131.07051	1.0
131.08598	0.5
133.10132	0.7
135.08095	0.4
135.11697	0.6
139.11220	0.6
144.10190	13.8
159.21645	0.5
160.09698	6.9
162.11259	11.5
169.10320	0.4
173.11841	0.6
174.14897	1.4
177.12761	0.7
185.13339	0.5
200.12840	2.0
217.13091	4.6
218.13870	4.3
234.13342	4.5
236.14920	100.0
237.15234	3.6
267.84119	0.4
272.15012	3.6
277.15219	2.0
284.92831	0.4
286.16470	0.7
290.12927	0.8
290.15964	10.2
293.21136	0.7
300.18250	0.7
304.17548	1.7
309.14111	1.9
318.19165	2.2
328.21103	0.5
332.20587	1.5
346.22189	0.9
353.19424	1.0
360.23920	0.6
372.23819	3.5
386.25070	0.6
390.24850	10.4
398.25238	1.3
402.25339	0.5
416.26416	2.9
417.26181	0.5
423.27176	1.6
430.27866	1.6
440.26395	1.4
451.26913	0.7
458.27557	2.4
464.55286	0.5
492.33469	0.6
494.34665	2.8
510.33752	1.4
512.35852	12.4
513.36005	0.9
528.35321	4.9
546.36383	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	547.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01885	3.0
55.05513	6.6
57.03436	2.3
58.06613	1.7
65.03937	4.2
67.05505	27.3
69.03432	3.9
69.07068	5.6
70.02715	3.0
71.01363	1.3
71.04994	1.3
79.05487	5.1
81.03425	2.0
81.07059	4.7
83.04983	15.2
83.15477	0.9
85.02917	2.5
91.05489	2.9
91.90247	0.8
95.04968	43.2
95.08597	1.9
96.05323	1.2
97.02888	1.8
97.06535	16.7
99.08167	1.2
105.07047	2.2
107.04911	0.9
109.06490	1.3
111.04455	3.5
114.60890	0.8
115.05444	1.7
117.07013	3.2
118.39880	0.8
120.18839	0.9
121.02877	1.0
122.09675	1.6
127.03925	1.2
128.06215	1.8
129.05542	1.1
129.07021	2.7
129.44713	0.9
131.04936	1.6
131.08578	2.5
133.06499	1.1
139.03918	1.3
141.07030	6.0
141.32179	0.9
143.08578	2.2
144.05699	2.0
145.06511	2.4
145.10153	2.4
147.04416	2.1
147.48749	0.8
149.06012	1.1
153.07050	2.5
155.08543	3.3
157.06483	3.2
157.10121	1.1
159.08049	5.5
160.05188	2.2
161.06017	4.3
163.03957	2.3
165.07043	2.1
166.07849	1.0
167.08626	3.5
169.06465	4.3
171.08107	3.0
173.06013	6.8
173.09659	3.4
174.06575	0.9
175.03922	1.7
177.05444	1.1
177.07080	1.0
178.07736	1.2
179.08488	2.0
181.06464	5.2
181.10098	2.1
182.07321	1.7
183.07986	4.3
183.11662	1.3
184.05154	1.1
185.06039	4.6
185.09618	1.6
186.06834	1.6
187.03944	2.7
187.07556	6.4
188.08302	5.4
189.05496	2.4
189.09132	3.4
193.04794	1.0
195.08080	5.6
197.05957	5.4
197.09642	3.4
199.03781	1.4
199.07539	6.6
200.04707	2.7
201.05484	3.1
201.09108	11.7
203.07008	1.4
205.06581	1.4
207.08127	2.3
209.06021	1.4
209.09669	2.4
209.13298	1.6
210.06870	1.0
210.10347	5.2
211.07516	6.4
211.11197	1.8
211.14871	1.5
212.08232	1.2
213.05493	3.2
213.09056	6.9
214.06290	2.0
215.03439	3.2
215.07007	29.2
215.10439	1.4
216.07457	1.5
217.04985	1.8
217.08652	2.8
219.08078	2.3
220.08936	1.8
221.09660	1.4
221.13292	1.4
223.07561	6.3
224.08337	1.7
225.05553	1.7
225.09099	9.6
226.09653	1.1
227.07042	6.7
227.10608	1.2
229.05038	1.1
229.08650	7.6
231.10138	2.2
234.10345	1.1
235.11244	1.4
236.14975	1.9
237.09117	2.6
237.12646	1.2
238.09877	7.8
239.07007	2.2
239.10628	3.8
239.14383	4.6
241.04858	2.6
241.08563	12.4
241.12328	1.3
242.09401	1.8
243.06567	4.2
243.10210	3.5
245.08150	1.9
249.12785	1.8
251.10754	1.7
253.08661	2.8
253.12346	2.1
255.10043	1.0
257.08096	2.6
257.15408	1.9
258.08792	1.3
259.06018	5.8
259.09616	3.0
263.10828	1.2
265.12390	1.3
267.06714	1.3
267.13782	25.1
268.14273	1.2
273.07553	1.6
281.15305	2.1
283.09717	1.6
283.13239	3.0
285.07779	2.2
285.14835	4.8
287.05505	7.4
287.09143	4.9
291.13828	2.8
293.11780	6.4
295.09930	1.2
295.13269	4.0
303.08575	1.5
305.10178	1.5
309.14749	4.7
311.12766	60.9
312.13168	2.6
313.14291	4.8
319.13306	1.9
327.15933	5.9
329.13913	2.9
337.14352	35.4
338.14725	2.5
355.15384	100.0
356.15753	5.9
373.16458	6.6
385.10788	1.1
410.17184	1.3
455.67874	1.0
512.35797	1.3
532.38776	1.1
547.22223	8.3
547.35022	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86852	1.1
53.03944	3.1
55.01876	5.6
55.05508	6.6
57.03436	3.3
65.03938	2.9
67.05500	26.3
69.03429	6.7
69.07069	19.4
71.05000	1.5
71.29395	1.8
79.05498	21.9
81.03420	5.0
81.07063	8.1
83.04980	9.4
83.08643	2.1
85.02913	3.6
91.05463	7.5
93.07053	6.1
95.04970	33.5
95.08616	4.1
97.02875	1.7
97.06533	100.0
97.10178	1.4
105.07053	4.3
107.04932	2.3
107.08620	4.1
109.10178	2.5
110.52826	1.5
111.04456	5.2
115.05479	2.3
117.07031	4.5
119.08588	3.1
121.06526	2.3
121.10175	2.1
123.04470	2.2
125.09608	1.8
127.03938	1.9
129.07008	5.7
131.04933	1.3
131.08595	2.6
133.06538	1.7
133.10143	3.4
135.08096	1.5
137.09631	1.4
139.03914	2.1
141.07002	4.1
142.07770	1.9
143.08551	5.2
145.06485	5.1
145.10153	2.7
147.07962	1.6
147.11748	1.9
155.08510	2.7
157.04819	1.2
157.06494	2.1
157.10118	3.7
159.08044	3.5
160.05212	3.2
160.08870	2.7
160.80142	1.3
161.05983	18.9
163.03911	11.5
163.11130	1.5
167.08580	6.3
169.06508	2.7
171.08046	3.1
173.06010	6.0
173.09679	2.4
174.06766	3.8
175.04008	1.5
175.05984	1.5
175.07552	4.8
183.08055	2.5
184.08830	2.0
185.06020	2.1
185.09637	6.4
186.06773	4.9
187.07523	8.2
188.08304	1.5
189.05493	2.1
189.09117	25.1
190.09500	2.0
193.12126	1.9
195.08104	7.7
195.11804	1.6
196.08630	1.3
197.06056	2.1
197.09651	2.7
199.07561	8.8
201.05484	3.0
201.09143	4.1
203.01665	2.0
203.07016	2.1
203.10649	2.0
209.09663	2.0
211.07544	3.1
211.11145	1.2
212.08293	1.6
213.05359	1.2
213.09091	12.1
214.06346	11.8
215.07039	13.0
215.10712	1.9
216.07872	4.3
217.08588	5.2
223.07646	3.3
225.09164	3.3
226.79739	1.8
229.04987	1.6
229.08681	2.1
231.10185	5.5
236.14793	6.3
237.15260	2.1
240.07779	1.6
241.08597	8.6
241.12215	7.0
243.10228	2.8
255.10205	2.7
258.08957	2.8
259.09622	16.7
267.13831	3.7
269.08057	1.6
275.20026	1.4
277.10773	1.6
281.15237	1.6
283.13083	3.0
285.11841	2.2
285.14902	5.0
287.05554	1.8
287.09113	2.6
291.13696	2.7
299.12598	2.1
305.10382	3.3
306.05646	2.1
309.14874	5.9
311.12799	44.8
311.16425	2.5
312.13086	1.8
313.10809	3.8
313.14365	11.6
327.15869	12.1
337.14398	14.4
345.16998	1.9
355.15402	90.4
356.15717	6.8
373.16495	15.6
385.11026	2.8
403.12076	6.6
431.16205	1.5
463.23764	2.0
529.20605	6.0
547.21326	28.7
548.21686	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	547.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01870	3.7
55.05507	6.4
57.03427	3.6
57.07066	1.1
58.06608	1.7
65.03945	4.4
67.05506	33.0
69.03416	3.7
69.07079	9.3
69.43711	1.1
69.56911	4.9
71.01357	1.6
71.04979	2.0
79.05508	9.0
81.03429	1.5
81.07062	4.3
83.04986	19.0
85.02912	3.1
86.06065	3.0
91.05476	4.8
93.07034	3.7
95.04978	43.7
95.08624	3.2
97.02849	1.9
97.06538	34.5
105.07035	3.6
106.05207	1.2
107.08633	2.1
109.02890	2.2
109.06536	1.6
109.10181	1.5
111.04446	4.9
115.05482	2.1
117.06995	2.7
119.04949	1.8
119.08579	3.2
127.03914	1.7
128.06232	3.1
129.05545	1.4
129.07024	3.4
131.04979	1.6
131.08571	3.3
135.04457	1.3
135.08112	1.4
141.07021	4.6
143.08571	4.1
144.05740	1.3
145.06464	1.5
145.10165	2.0
147.04425	2.0
153.07007	4.2
154.07751	1.2
155.08557	3.2
157.06499	3.4
157.10101	2.9
159.08066	3.7
160.05194	1.5
161.05997	5.3
163.03835	2.1
163.07628	1.2
165.06999	3.6
165.08986	1.3
167.08591	4.9
168.05653	2.0
169.06438	3.1
169.10112	2.8
170.07271	1.6
171.07999	2.6
173.05946	7.1
173.09605	4.4
174.06642	1.2
175.03940	2.8
177.05476	1.1
178.07767	1.6
178.21204	1.2
179.08545	2.4
181.06415	7.6
182.07295	3.6
183.08086	4.8
183.31308	1.2
184.05408	1.2
184.07243	2.1
185.05983	3.3
185.09602	3.0
187.03940	4.0
187.07509	6.8
188.08321	3.4
189.05475	3.7
189.09102	5.2
191.03435	1.5
191.06964	1.7
191.08582	1.6
192.09299	1.3
193.04994	2.7
193.06651	1.3
195.08096	6.6
197.06021	6.2
197.09636	4.8
199.03864	2.2
199.07558	9.6
201.05563	3.2
201.09106	12.1
203.06960	2.2
203.10680	1.2
207.02902	2.1
207.08153	1.6
209.05923	1.3
209.09705	2.0
210.10390	3.3
211.07559	7.8
211.11063	1.3
212.08420	2.5
213.05493	4.8
213.09106	9.5
214.06271	1.8
215.03438	3.7
215.07027	23.3
215.10510	1.9
217.04953	4.0
217.08554	3.7
219.07974	1.4
220.08769	1.6
221.09546	1.6
223.07613	6.7
225.05490	2.6
225.09128	8.4
226.06238	1.2
227.07021	8.0
227.10571	1.3
228.07486	1.4
229.08589	8.1
231.10092	2.2
235.07613	1.7
235.11052	1.1
236.14914	2.7
237.09010	1.7
237.12616	2.1
238.09804	7.1
239.06998	4.0
239.10629	3.6
239.14259	6.5
241.04910	1.8
241.08607	16.2
241.12244	2.0
242.09238	1.5
243.06546	6.3
243.10133	5.9
245.08116	4.4
247.21271	1.0
248.11855	1.2
249.09209	1.6
251.06966	1.3
251.10553	1.6
253.08647	2.8
253.12105	1.8
254.09406	1.8
255.06609	2.3
255.10208	3.2
257.08063	3.6
258.08752	1.8
259.06058	4.1
259.09671	10.5
261.07471	2.2
261.11102	1.3
262.09961	2.4
265.12204	2.1
267.06573	1.2
267.10480	1.6
267.13782	19.2
268.14142	1.6
273.07669	1.4
281.15427	2.3
283.13223	2.9
285.07602	2.7
285.14832	3.9
287.09134	5.8
287.12698	1.7
291.13766	5.0
293.11676	9.0
295.09720	1.9
295.13107	2.9
303.08664	3.2
305.10400	1.3
309.14874	6.7
311.12805	50.6
311.16415	2.9
312.13235	3.0
313.14288	4.8
319.13214	3.6
327.15793	8.4
329.13861	2.6
334.74951	1.3
337.14349	32.3
338.14471	2.4
355.15414	100.0
356.15759	6.4
373.16461	10.0
374.33505	1.2
385.28320	1.7
405.77048	1.2
511.19598	1.9
529.20721	3.2
546.32971	1.6
547.21051	29.0
547.33984	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	547.2302
Annotation	Vittarin E
Peak:m/z	Relative Intensity
55.01859	6.9
55.05505	8.3
57.07088	3.6
66.70019	3.8
67.05502	23.9
69.03410	3.9
69.07066	8.6
71.04979	5.0
71.30553	5.8
77.26261	3.5
79.05479	18.1
81.03400	6.2
81.07057	21.9
82.17970	4.3
82.77932	4.2
83.04962	7.7
83.08612	6.6
88.65741	4.0
88.82623	3.6
91.05460	22.2
93.07036	22.0
95.04996	6.0
95.08603	16.0
97.06515	6.9
97.10148	3.9
105.07032	15.4
107.08586	14.6
109.06495	6.0
109.10171	9.6
117.07006	8.7
119.08568	13.5
121.10145	7.1
131.08554	12.6
133.10121	12.9
135.07938	4.3
135.11732	6.3
143.08530	5.9
145.10133	8.9
149.09525	4.0
161.13156	5.1
163.11185	6.2
169.37839	3.9
204.69460	4.1
275.20096	7.4
487.21271	4.2
547.22797	100.0
547.30164	7.9
547.36890	4.4
548.23041	9.2
550.01721	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2516
Annotation	[2'S,3'R,7'R(R),9R,10S]-7'-Deoxo-2'-deoxy-2',3':9,10-diepoxy-9,10-dihydro-7'-(1-hydroxyethyl)verrucarin A
Peak:m/z	Relative Intensity
53.03941	0.5
55.01868	0.9
55.05517	2.1
57.03434	1.4
57.04387	0.4
67.05505	3.7
69.07056	1.4
75.81934	0.4
79.05505	3.6
81.03418	1.3
81.07050	3.9
83.04972	1.4
83.08614	1.1
89.25631	0.3
91.05475	4.4
92.05828	0.4
93.07038	3.8
95.04967	1.2
95.08592	1.7
97.05182	0.3
97.06503	1.0
97.10159	0.5
99.00805	0.5
103.05502	0.4
105.07024	2.9
107.04948	1.1
107.08566	2.4
109.06516	1.2
109.10149	1.3
111.04391	0.4
117.07011	1.7
119.08563	2.6
121.06492	0.8
121.10123	0.8
123.08097	0.5
125.09559	0.4
129.07002	0.6
131.08569	1.5
133.10146	2.2
135.08012	1.4
135.11693	1.3
137.09648	0.4
138.96928	0.4
143.08607	0.7
145.10144	1.9
147.08116	0.5
147.11658	0.5
149.09612	1.1
151.11142	0.7
157.10121	0.6
159.11682	0.7
161.09612	0.4
163.11163	1.1
173.13277	0.5
209.11777	0.5
227.12820	0.5
231.17551	0.4
247.17030	0.5
249.11005	2.9
251.05557	0.4
265.10489	5.3
275.19965	0.6
275.63989	0.4
283.15369	2.2
299.14926	1.1
305.13602	4.1
321.13080	6.5
383.20395	0.4
407.78644	0.4
521.93774	0.4
529.31323	1.0
546.45947	0.4
547.25238	100.0
548.25684	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	547.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56491	0.3
52.14213	0.3
53.03948	0.4
55.01863	0.4
55.05508	0.5
57.03426	0.8
58.06594	1.2
62.58918	0.3
65.03947	0.5
67.05517	1.4
69.03438	0.7
69.07072	0.7
71.30191	0.4
75.93029	0.3
79.05509	1.0
81.03432	0.5
81.07062	1.0
83.04993	0.6
85.02897	0.4
87.04460	0.5
91.05496	0.6
93.07060	0.6
95.04979	1.8
95.08609	0.5
97.06540	2.9
105.07049	0.8
109.10182	0.4
111.04422	0.3
113.76676	0.3
121.10206	0.7
122.09625	0.3
125.09642	0.4
127.03971	0.3
131.08670	0.3
133.10106	0.6
163.03938	0.6
173.06114	0.3
174.03177	0.3
185.09595	0.4
197.09537	0.4
212.08524	0.4
213.09116	0.3
215.07074	1.1
236.14922	2.1
237.15346	1.1
239.10591	0.3
241.08711	0.4
287.05710	0.5
311.12866	1.1
337.14493	0.6
355.15317	1.8
356.15759	0.4
367.28009	0.6
373.16327	0.5
385.29245	0.5
431.27332	0.4
511.34845	0.9
529.34912	0.5
533.52893	0.4
547.34564	100.0
548.34906	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	547.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	6.0
53.54535	0.9
55.01876	11.6
55.05514	71.0
57.03435	7.4
57.07079	15.0
59.04996	3.8
63.38604	1.1
65.03940	2.3
67.05508	75.2
68.05836	1.2
69.03426	2.6
69.07071	58.3
70.25691	0.9
71.01364	2.1
71.05003	7.0
71.08641	6.4
75.96365	1.0
77.40715	1.0
79.05496	51.6
81.03419	22.0
81.03865	1.9
81.07060	83.5
82.07418	1.7
83.01340	9.1
83.04991	16.0
83.08622	47.5
85.02913	6.1
85.06551	4.2
85.10186	2.1
91.05485	36.1
93.07048	54.8
95.04981	16.8
95.08611	67.1
96.08961	1.4
97.02914	4.0
97.06533	8.9
97.10175	27.8
98.22545	2.3
99.04453	2.8
99.08082	2.7
101.09713	1.1
101.73792	0.9
101.74498	1.1
105.04485	1.3
105.07032	22.3
107.04956	12.0
107.06496	1.0
107.07873	1.6
107.08596	30.6
107.09293	2.0
109.06520	7.3
109.10162	28.8
111.04446	4.0
111.08081	5.3
111.11718	5.9
113.09647	1.8
115.05436	1.7
117.07021	11.8
119.08580	20.4
121.06522	4.6
121.10148	28.8
123.08092	11.6
123.11738	8.1
125.06005	2.9
125.09642	6.9
129.07022	4.5
130.07787	3.0
131.04840	1.1
131.08577	7.6
133.06462	1.1
133.10144	9.6
135.08081	3.3
135.11696	28.4
137.09605	2.8
137.13249	2.0
143.08609	3.1
145.06465	1.2
145.10133	21.0
147.08072	3.7
147.11722	3.2
149.09648	1.7
149.13287	6.9
151.11134	1.3
151.14841	2.6
153.12767	3.9
155.08563	2.0
157.10144	2.5
158.78313	1.1
159.11732	2.1
160.11940	1.2
161.13211	1.4
163.11192	34.2
163.14833	3.0
165.16437	1.9
173.09666	4.3
173.13280	1.2
175.11241	1.8
175.14870	1.5
177.16463	1.3
181.12297	4.3
181.15970	1.0
189.11227	1.5
191.10704	4.1
193.12299	4.7
209.11719	8.7
211.13326	3.5
227.12781	6.5
245.63255	1.1
247.24265	2.1
265.25256	11.2
267.15814	2.0
283.15448	1.9
303.26929	3.3
311.45404	1.1
337.27319	1.8
437.34525	1.2
455.35141	3.0
473.35974	1.4
529.39069	3.8
541.58289	1.3
547.39899	100.0
548.40131	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	548.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12802	0.3
53.03929	0.4
55.01854	0.8
55.05511	2.3
56.05014	0.3
56.96551	0.3
57.03435	6.8
57.07068	0.2
58.06600	28.1
59.04969	0.4
59.07380	9.6
60.08165	9.4
61.84743	0.2
67.05505	3.8
69.03403	0.9
69.07066	2.0
71.04990	0.4
71.08595	0.8
73.02918	1.2
75.04482	3.7
79.05078	0.2
79.05494	2.8
81.03381	1.0
81.07068	2.8
82.83993	0.2
83.04986	1.4
83.08601	0.9
84.08105	0.7
85.02912	3.2
87.04472	5.6
91.05474	1.8
93.05507	0.4
93.07025	1.8
95.04964	1.3
95.08624	1.3
97.02851	1.1
97.05981	0.3
97.06523	3.2
98.97572	0.4
99.04446	0.3
99.08038	0.4
100.11214	0.5
101.05992	0.3
103.03907	0.7
105.05476	0.9
105.07008	0.8
107.08568	1.1
109.10165	1.8
110.06003	0.3
110.97564	0.4
111.04411	1.0
111.08013	0.4
111.11697	0.3
113.05992	1.0
116.10724	0.3
117.06983	0.4
119.08542	0.7
121.10140	0.6
123.11659	0.5
125.09645	0.3
127.03902	0.4
127.42264	0.2
129.05513	0.5
129.06984	0.5
130.08603	0.5
130.42615	0.2
131.07039	2.5
131.08543	0.7
133.10072	0.6
143.08501	0.3
144.10201	7.7
147.04376	0.4
147.11673	0.3
149.13226	0.4
151.11154	0.4
157.10158	0.3
159.04347	0.3
159.06502	0.3
159.11667	0.4
161.02376	0.4
162.11252	4.7
163.03868	0.8
168.21356	0.3
173.02325	1.0
179.08623	0.3
184.07373	0.3
200.12798	0.4
215.06999	1.2
218.13863	0.8
236.14915	100.0
237.15292	2.7
241.08603	0.5
259.09644	1.8
273.11133	0.5
292.04263	0.4
311.12741	0.4
372.23752	1.8
388.23645	0.3
390.24863	12.0
391.25131	0.6
412.26959	3.0
430.28000	15.5
431.28262	1.2
476.33810	1.4
488.19214	0.3
494.34741	13.2
495.35092	0.9
512.35828	35.8
513.36151	3.3
530.36853	19.0
531.36859	1.6
548.38037	5.3
549.19550	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
55.05486	0.7
56.05040	4.6
57.03414	2.8
65.03916	0.9
68.05010	1.6
69.03429	5.2
70.06586	1.6
71.28029	0.7
71.28392	0.8
72.35744	0.6
72.36161	0.7
79.05482	0.9
80.05002	1.0
81.03411	2.2
82.06548	0.8
84.04504	30.2
85.02906	27.0
86.06068	1.3
91.05482	11.0
94.02926	4.7
94.06569	1.0
95.01434	0.7
95.04928	0.8
96.04490	2.7
97.02885	9.1
99.05567	0.8
106.06530	0.9
111.05563	2.7
112.03964	67.4
113.02366	9.1
119.04942	26.2
122.06042	0.8
124.07578	1.3
127.03925	1.3
130.04997	21.6
132.04451	1.3
134.05992	2.9
147.04407	100.0
148.04845	3.3
149.07100	3.3
150.05467	3.5
163.04958	1.0
165.05501	2.3
166.05072	0.6
168.06541	2.2
177.06549	1.5
178.04974	2.3
180.06573	1.2
195.07669	6.4
196.06046	32.9
197.37343	0.7
211.07169	0.8
213.08543	1.2
223.07118	16.7
224.05553	3.4
225.08676	0.9
241.08186	49.2
242.08510	1.6
291.08624	1.7
309.09573	8.4
480.29123	0.8
511.62857	0.7
513.56671	0.9
549.29376	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	549.2671
Annotation	[7'R(S),9R,10S]-7'-Deoxo-2'-deoxy-9,10-epoxy-9,10-dihydro-4'-hydroxy-7'-(1-hydroxyethyl)verrucarin A
Peak:m/z	Relative Intensity
53.03942	0.9
55.01873	1.0
55.05505	1.7
57.03430	1.3
64.47630	0.5
67.05508	3.6
69.07084	1.3
71.29749	1.2
79.05497	3.5
81.03426	1.8
81.07069	4.0
83.01266	0.6
83.04965	1.2
83.08620	1.0
91.05486	4.1
93.07050	4.3
95.04984	1.2
95.08614	2.4
97.06550	2.0
105.07043	2.2
107.04977	1.0
107.08602	2.1
109.06527	1.2
109.10138	1.1
111.04472	0.9
117.07031	1.9
119.08601	2.0
121.10191	2.1
129.07065	0.7
131.08592	1.4
133.10139	1.3
135.08072	0.8
135.11690	2.0
145.10133	2.5
163.11209	2.5
164.55914	0.5
168.22676	0.6
249.11008	7.0
250.65363	0.6
263.78955	0.6
267.12045	6.8
283.15445	2.3
305.13690	5.7
306.14063	0.8
323.14731	4.8
408.47708	0.7
418.20352	0.6
531.25665	25.2
531.31970	1.0
532.26086	2.3
541.75171	0.7
549.26660	100.0
550.27032	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	550.314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.7
56.05029	0.4
57.46280	0.3
58.06627	0.6
60.07891	0.4
60.08170	6.2
60.15614	0.3
67.05501	0.7
71.07383	3.3
71.60107	0.3
79.05486	0.8
81.07037	0.8
83.04977	0.4
86.09710	32.4
91.05476	0.4
93.06992	0.4
95.08617	0.5
97.06548	0.5
97.10128	0.4
98.98472	3.5
99.03168	0.3
104.10748	5.5
109.10145	0.4
119.08630	0.5
121.10157	0.4
125.00009	21.8
128.14307	0.3
184.07352	100.0
185.07658	1.1
463.26151	0.8
469.13388	0.3
532.30219	1.0
550.26056	1.4
550.31299	4.3
551.28241	1.9
557.22137	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1032
Annotation	Quercetin 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
53.03949	2.1
55.01876	1.6
57.03426	1.0
61.02919	1.1
63.70070	0.2
68.99776	1.6
69.03433	7.2
69.56953	0.2
70.56307	0.5
71.04995	0.8
73.02924	1.5
74.46661	0.2
76.23246	0.2
77.03152	0.2
79.05469	0.3
81.03416	8.2
82.06649	0.2
83.01334	0.2
85.02904	11.0
87.00297	0.5
87.00827	5.6
91.03939	0.5
93.03377	0.3
95.04933	0.2
97.02894	4.2
97.06520	0.4
99.04442	2.8
105.01878	2.8
109.02884	7.0
111.00797	0.9
115.03910	0.5
117.01860	1.2
121.02883	1.0
123.04417	0.3
125.02325	0.3
127.03918	9.0
129.01819	0.9
137.02344	3.4
137.05962	2.7
143.05003	0.2
145.04956	2.8
145.06061	0.4
147.02863	0.7
148.24232	0.2
149.02330	0.6
153.01831	3.8
156.62294	0.2
159.02901	4.4
159.04230	0.4
161.05998	0.4
163.03902	0.9
165.01840	2.0
173.05951	0.7
179.03468	0.2
183.02885	0.7
183.04361	0.5
187.03889	0.5
195.02855	0.5
201.05449	1.7
215.06926	0.2
219.06538	0.6
228.04077	0.3
229.04941	4.3
230.05312	0.3
231.05029	1.0
247.06033	0.5
257.04449	2.6
259.09689	0.6
265.08691	0.3
274.04617	0.5
285.04025	1.3
293.08017	0.4
303.04977	100.0
304.05292	4.9
307.09521	0.4
325.10730	1.0
337.10495	0.3
343.11755	0.9
345.06018	0.6
355.11520	0.3
388.03702	0.3
524.45667	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.9
55.01872	6.1
55.05514	10.1
57.03428	5.1
67.05513	7.4
69.03429	100.0
69.07068	22.7
70.03745	1.2
70.32491	2.6
70.32858	2.7
71.01357	2.3
71.04988	5.1
79.05493	14.5
79.39606	1.3
81.03419	21.9
81.07044	5.1
83.03123	1.2
83.04980	39.2
85.02930	6.6
85.06544	2.5
89.03922	5.5
90.49577	1.1
91.05460	4.9
93.07055	2.9
95.04964	5.3
95.08589	3.6
97.02894	61.1
97.06531	79.6
97.10206	1.8
98.06847	2.0
99.04453	18.8
101.06047	1.9
105.07017	2.8
107.04941	3.5
107.08601	1.7
109.02868	4.0
109.06531	1.6
109.10206	1.1
111.04432	4.6
113.06030	3.3
115.07584	1.5
117.03369	8.2
117.07022	2.0
119.04946	1.8
119.08533	1.9
120.67323	1.1
121.06522	1.4
123.04386	2.5
125.09599	1.7
127.03912	5.5
129.06995	2.0
131.04900	1.7
132.62605	1.2
133.02859	3.6
133.06479	1.2
135.04414	11.5
139.03912	4.3
141.05493	1.7
141.06879	1.6
145.02812	11.3
145.10104	1.5
147.04433	2.2
151.03867	1.7
155.08624	1.4
157.06499	1.2
159.04398	7.2
161.02347	20.6
161.06021	1.4
161.09644	1.3
163.03908	89.3
164.04237	2.7
167.08562	1.9
173.02341	40.3
173.06093	2.0
177.05420	2.3
179.03481	1.6
185.06020	4.0
187.07602	2.4
191.03392	8.9
195.06441	1.9
201.05518	1.5
201.08997	1.6
213.09088	2.1
215.07030	66.7
216.07457	1.5
217.04965	2.0
233.08119	8.0
235.09615	3.3
241.08582	16.7
259.09659	91.2
260.10004	3.3
273.11249	10.4
277.10739	3.8
291.12253	47.0
291.15564	1.6
311.12555	1.5
355.15433	2.6
377.12183	2.2
403.13828	10.5
421.14926	8.2
435.16647	1.6
453.17484	3.4
523.42163	1.3
533.27399	1.5
551.21118	39.4
551.28168	2.4
552.21326	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.5
59.61496	0.3
67.05501	0.7
69.07067	0.4
79.05496	0.9
81.07060	0.7
88.31283	0.3
91.05465	0.6
95.08591	0.5
97.06540	0.6
98.22555	0.8
105.07023	0.6
107.08587	0.5
133.10181	0.4
149.02313	0.4
185.04184	0.4
191.13788	0.3
203.05252	1.0
259.07922	0.8
315.19272	0.7
371.21692	0.4
389.23050	2.1
463.26712	0.7
464.27197	1.5
551.28217	100.0
552.21771	0.4
552.28607	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	551.283
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
55.05507	0.6
57.07069	1.1
60.08153	0.4
67.05499	1.3
67.40149	0.3
69.07073	0.9
71.08644	0.8
78.41071	0.4
79.05509	1.0
80.32947	0.4
81.07057	1.6
83.08624	0.5
86.09698	0.7
91.05459	0.5
93.07069	0.5
95.08602	1.0
104.10751	0.9
104.53973	0.3
105.07064	0.5
109.10168	0.7
124.99976	0.4
131.08621	0.4
135.11641	0.6
149.02347	0.9
184.07343	2.0
193.05049	0.8
287.63239	0.4
302.63373	0.4
315.19519	0.5
378.05399	0.4
389.22980	1.6
459.23471	0.5
551.28253	100.0
551.50208	2.0
552.28552	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	551.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
55.05517	0.8
57.07059	1.1
60.08161	0.9
67.05499	1.7
69.07056	0.9
71.08630	0.9
76.97960	0.7
79.05490	1.5
81.07047	2.4
84.57678	0.6
86.09699	2.4
91.05486	1.1
93.07047	0.6
95.04990	0.7
95.08579	1.5
97.02914	0.6
97.06548	1.6
107.08606	0.9
109.10176	1.3
119.08503	0.8
125.00033	1.6
131.08539	0.6
133.10181	0.8
184.07344	7.2
185.07713	1.6
226.08493	0.6
259.07910	1.1
389.23135	1.8
445.40662	0.7
462.31033	0.7
551.28210	100.0
552.28674	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	551.3731
Annotation	Manzamine B
Peak:m/z	Relative Intensity
51.07230	1.8
53.03950	5.1
55.01878	8.6
55.05513	18.1
57.03434	8.1
57.07067	5.5
63.41104	1.5
65.03928	2.9
67.05503	40.2
68.21185	1.7
69.07069	21.5
69.44978	8.2
71.04998	4.3
71.08636	3.4
79.05495	42.6
81.07056	41.5
83.04974	5.0
83.08605	9.1
84.76553	2.0
85.06561	5.2
87.04473	1.9
89.30200	1.9
91.05479	54.4
93.07044	39.2
95.04988	5.5
95.08601	26.8
97.06535	5.3
97.10174	2.7
98.23414	2.5
103.05485	2.5
105.04499	3.1
105.07027	39.7
107.04955	2.0
107.08604	14.7
109.06525	5.3
109.10160	6.8
111.08067	3.1
115.05476	6.2
116.06264	2.2
117.07016	25.4
119.08578	22.3
121.06506	3.7
121.10126	10.5
123.08120	3.8
123.11724	2.6
125.09679	2.3
128.06247	7.5
129.05563	10.7
129.06996	28.4
131.08574	31.5
133.10123	16.0
135.08055	6.2
135.11702	6.5
137.09514	1.9
137.13261	2.5
141.06987	20.8
142.07793	5.0
143.08546	25.0
143.09525	2.3
145.06480	2.7
145.10118	20.4
147.08075	4.3
147.11697	5.4
149.09656	8.0
149.13255	3.7
152.06190	2.4
153.07024	6.0
154.07791	4.0
155.08557	27.6
156.09303	1.9
157.10164	14.2
159.08046	3.1
159.11757	7.7
161.09641	3.6
161.13239	4.6
161.24924	1.7
163.11230	3.3
163.14803	2.6
165.07033	7.9
166.07793	6.7
167.08574	18.2
168.09454	3.2
169.10130	20.4
171.11696	9.3
173.09734	2.5
173.13277	3.5
175.11217	5.5
178.07841	4.2
179.08556	12.4
180.09293	4.2
181.10120	27.0
182.10864	3.4
183.11676	14.1
185.09637	3.6
185.11809	2.4
185.13307	7.6
187.11258	3.0
187.14825	3.4
189.16350	2.1
191.08591	7.6
192.09366	4.3
193.10139	12.7
194.10944	1.9
195.11693	15.5
197.09698	2.5
197.13271	8.3
199.11217	5.0
199.14870	3.9
201.16373	3.5
203.08611	3.4
204.09349	3.0
205.10028	10.0
206.10927	3.3
207.11705	15.0
208.12480	2.7
209.09839	2.6
209.13287	11.6
211.11229	5.9
211.14873	6.5
213.12706	4.1
213.16437	3.2
215.18112	2.1
217.10138	5.0
218.10878	2.6
219.11636	12.1
221.13283	12.2
223.11232	4.5
223.14862	5.1
225.12788	5.1
227.18024	4.2
231.11751	6.8
232.12515	1.9
233.13174	10.4
235.11050	2.1
235.14781	6.0
237.12825	6.1
237.16385	5.1
239.14410	3.8
239.18079	3.8
241.19598	3.6
245.13239	6.5
247.14877	6.6
249.12721	3.9
249.16463	3.2
251.14368	4.4
251.17992	4.6
253.19571	2.8
257.13263	2.9
259.14700	4.1
261.16415	5.5
263.14285	3.1
265.15817	3.8
265.19705	3.8
267.21140	2.6
271.14798	2.9
273.16513	3.0
275.17761	2.1
277.19568	4.4
279.21176	2.4
281.22672	2.9
283.17282	2.7
283.20563	2.9
287.17874	2.0
291.20950	2.2
293.19284	2.4
293.22552	4.0
297.22073	2.0
309.22177	3.1
311.23550	2.2
321.21924	2.0
325.25238	2.0
331.24280	4.3
343.24048	2.9
347.20074	2.9
349.25192	4.3
357.25598	2.2
361.25189	4.0
375.26871	8.3
399.30911	1.9
423.30661	2.7
441.31479	15.5
442.31744	2.2
459.32614	30.6
460.33078	3.1
467.31610	2.3
477.33231	3.6
533.35938	13.2
551.37323	100.0
552.37500	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	551.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.1
53.03939	7.5
55.01876	15.6
55.05511	99.8
56.05836	1.7
57.02168	0.9
57.03433	7.9
57.07077	34.1
59.04998	8.4
59.97963	0.8
65.03938	4.2
67.05505	44.0
69.03431	2.6
69.07069	97.9
70.80139	1.9
71.01348	6.7
71.04993	11.6
71.08632	20.2
73.06553	1.2
77.03940	1.4
77.34435	1.0
79.05492	53.2
81.03419	41.9
81.07056	45.5
82.07386	1.1
83.01334	3.3
83.04983	24.1
83.08620	79.2
84.08953	1.5
85.02900	11.8
85.06546	4.6
85.10184	8.4
87.04457	1.2
91.04905	1.0
91.05482	38.6
93.07043	51.6
95.04965	18.5
95.07988	1.2
95.08603	26.8
97.02894	17.8
97.06533	19.1
97.10172	58.3
99.04461	5.4
99.08093	1.1
103.05468	2.0
105.04524	2.1
105.07034	19.1
107.04961	18.8
107.08595	27.4
107.09294	1.9
109.02911	2.0
109.06521	13.2
109.10164	8.0
109.75190	0.9
111.04440	54.7
111.08076	5.6
111.11715	15.1
112.04762	1.1
113.06004	3.6
115.05477	2.5
117.07016	21.2
119.08582	23.0
121.06516	12.3
121.10139	27.1
122.10495	1.3
123.04433	1.9
123.08061	10.8
123.11699	2.5
125.05990	13.4
125.09629	4.2
125.13270	4.3
128.06210	1.7
129.06999	8.0
130.07796	2.7
131.04959	1.9
131.08572	17.2
132.84084	1.1
133.10133	3.0
135.08109	5.7
135.11690	24.3
136.12025	1.2
137.05988	2.0
137.09601	4.8
137.13269	1.5
139.07544	2.0
139.11148	1.7
142.58519	1.0
143.08583	2.0
145.06526	2.6
145.10123	38.7
146.10515	1.2
147.08049	9.2
149.09619	3.1
149.13336	1.1
153.12750	12.3
155.08548	5.6
161.09659	2.6
163.11174	60.9
163.14853	1.5
164.11533	1.9
167.14282	1.1
173.09610	10.1
177.12762	1.5
179.10515	1.1
181.12231	8.9
187.11336	1.0
191.10690	13.6
195.13838	3.9
197.95750	1.3
200.05566	0.9
205.12285	1.7
209.11716	36.7
209.77148	1.1
219.21098	1.0
223.13286	52.3
224.13673	2.5
227.12784	15.4
237.22154	15.9
238.22430	1.0
241.14346	47.8
242.14630	2.0
265.14264	8.6
283.15448	3.7
297.16916	12.1
311.25790	13.5
315.18121	1.2
337.38763	1.1
477.80676	1.1
501.35776	2.6
519.36810	54.2
520.37073	3.2
533.38342	1.5
551.39404	100.0
552.39825	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	552.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32294	1.4
67.05489	2.1
69.03429	5.6
69.07073	1.7
69.32577	8.9
80.05025	8.5
81.03401	3.4
81.07027	1.7
83.04970	3.1
85.02898	12.5
91.05477	2.0
96.04489	2.2
97.02911	4.3
97.06534	6.0
100.11271	1.6
106.06538	1.5
107.13394	1.4
111.04456	2.1
115.05442	3.2
115.58455	1.5
119.04942	3.2
121.06507	1.3
127.03956	2.8
131.04900	2.5
135.04388	2.3
137.05966	18.4
143.04913	2.3
143.18266	1.4
147.04388	4.5
149.05974	1.9
150.06836	2.0
151.02701	1.4
151.03911	2.4
159.04439	2.9
160.05151	2.1
161.06007	1.7
163.03889	3.9
169.06425	1.7
173.02350	2.6
173.05994	3.0
175.03909	2.4
175.07616	4.9
185.03334	1.4
186.03145	3.8
187.03954	2.0
187.07567	1.9
195.07787	1.9
201.05481	14.1
203.07013	1.6
205.06465	9.2
210.07648	15.7
210.14941	1.6
215.06990	7.0
216.07286	1.5
219.08170	2.3
221.06027	2.4
222.06778	5.6
233.05920	11.2
234.06702	3.3
237.09074	14.2
239.07188	2.2
247.07663	1.9
249.05263	1.9
250.06294	11.8
251.06833	3.2
259.09726	12.4
260.10028	3.3
261.05414	2.1
264.07785	4.4
265.08600	27.8
266.09378	1.6
267.06421	2.7
278.05792	4.7
279.06451	2.3
279.10129	2.9
282.08847	3.0
292.07346	12.2
293.08020	25.1
294.08466	3.0
295.06024	2.5
297.11163	8.0
307.09683	22.1
309.64505	1.7
310.08270	2.8
325.10684	100.0
326.11066	4.7
343.11703	36.2
344.12042	1.9
450.90085	1.5
514.88074	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
55.01864	0.9
60.81989	0.6
69.03424	3.0
69.25449	3.5
69.25855	1.4
79.05502	1.1
81.03413	1.4
81.07059	1.1
85.02909	8.5
86.03302	0.7
87.00826	1.5
91.05483	2.1
94.04190	1.8
95.04974	0.8
96.04507	0.9
97.02888	3.2
97.06533	1.3
98.23371	1.4
103.05422	0.9
105.07064	1.1
106.13838	0.8
107.04920	1.0
109.02907	1.6
109.06467	1.0
115.03970	1.0
115.05441	2.1
119.04959	1.8
122.03659	4.0
127.03897	2.6
128.04341	0.8
130.04144	0.7
131.04926	1.1
133.06487	1.3
137.05971	100.0
138.06306	2.3
143.04887	1.1
145.04939	1.1
145.06503	1.7
147.04436	1.7
149.05983	1.3
151.03902	0.7
159.04242	0.9
160.05194	1.9
161.05962	2.6
162.34984	0.7
163.03886	1.0
173.05988	2.4
175.03902	1.3
175.07562	3.1
175.14836	1.9
177.05460	1.4
177.06975	1.0
179.08485	1.1
186.03163	1.8
187.03804	0.8
189.05476	0.9
191.07013	0.8
194.07295	0.9
195.08032	1.5
201.05460	6.3
203.07050	2.3
205.06516	5.2
207.06520	6.8
209.09607	0.7
215.07007	1.0
219.06438	3.8
219.08293	1.3
221.05931	1.5
222.06717	3.2
223.07420	1.1
231.06584	3.3
233.05940	4.6
234.06705	2.6
237.09061	4.7
247.07620	1.7
249.05418	1.0
249.09213	1.3
250.06277	5.7
251.06938	2.4
254.09250	0.9
259.09531	3.8
262.06427	1.3
264.07813	1.4
265.08560	12.1
266.09146	1.3
267.06564	1.4
277.05154	1.4
277.08621	2.4
278.05682	2.7
279.06293	1.4
279.10031	1.0
282.08878	1.0
283.09662	3.4
292.07297	3.3
293.08102	7.6
294.08698	0.9
295.06146	0.8
297.11066	3.6
303.04980	6.0
304.05273	8.3
305.08109	2.0
307.09634	10.4
309.11243	2.7
310.08298	2.2
311.08960	1.3
322.08539	1.2
323.09134	2.0
325.10657	29.9
326.10913	1.5
336.17838	0.9
337.10690	7.5
343.11731	29.6
344.12137	2.0
355.11728	12.5
356.12134	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01864	1.6
55.05507	2.6
57.03431	2.4
61.02911	1.1
67.05500	3.0
68.98711	11.6
69.03430	11.5
69.07063	4.2
70.03754	1.6
70.06590	1.9
71.01310	1.2
71.04977	1.7
79.05489	2.6
81.03410	6.2
81.07061	2.7
83.04965	5.1
83.08617	1.3
84.04554	1.2
85.02908	8.6
91.05476	3.8
95.04943	2.7
96.04473	3.3
97.02915	7.9
97.06541	21.9
98.06873	1.2
99.04465	3.2
100.11260	3.3
103.05480	1.6
105.07007	2.4
107.08602	1.8
109.02887	1.8
109.06510	1.5
111.04442	2.5
114.05563	1.5
115.05442	3.8
119.04964	3.5
119.08588	1.4
121.06420	1.6
125.05961	1.5
127.03905	3.3
135.04433	2.0
137.05980	17.1
141.07065	1.3
143.04930	2.0
145.04909	2.3
145.06561	1.4
147.04396	3.0
149.06017	2.3
150.06659	1.2
158.29272	1.3
159.04396	3.7
160.05165	3.7
161.02383	2.9
161.05998	4.0
163.03928	11.3
164.04260	1.9
165.05525	1.2
167.08607	2.2
173.02365	4.0
173.05971	4.9
175.03842	1.8
175.07547	5.0
177.05559	1.4
177.06960	2.5
181.06520	1.2
185.06027	1.3
186.03096	3.0
187.07457	1.7
189.09119	3.2
195.08055	4.5
197.06042	1.9
201.05450	17.4
203.06984	3.0
205.06439	8.9
210.14847	2.0
212.04596	1.3
213.09099	2.8
215.07063	11.5
216.07446	2.3
217.08553	3.7
221.05980	1.8
222.06717	4.5
231.10051	2.1
233.06049	10.9
233.08144	1.7
234.06674	3.2
237.09148	11.4
239.06967	1.9
241.08562	4.4
249.05408	1.7
250.06213	9.9
251.07005	2.7
259.09637	27.6
260.09900	5.8
261.05450	2.9
261.87372	1.3
264.07773	3.3
265.08609	27.2
266.09244	2.6
267.06424	2.9
269.17627	1.6
277.10858	2.3
278.05640	3.9
279.10147	2.4
282.08905	2.8
283.09726	1.4
290.05994	1.6
292.07263	9.7
293.08112	22.4
293.11313	2.4
294.08658	1.7
295.06241	1.4
297.11136	11.4
304.04984	1.5
305.08243	1.4
307.09644	27.0
310.08258	3.9
325.10715	100.0
326.11084	5.4
337.10626	2.6
343.11768	40.1
344.12262	2.8
377.75677	1.2
421.14655	1.6
552.14728	1.7
552.29968	2.0
552.40796	3.2
553.21637	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13809	1.0
53.03961	1.7
54.48008	0.9
55.01867	3.6
55.05503	2.6
57.03443	2.1
67.05521	5.8
69.02955	7.9
69.03416	6.1
69.07069	10.3
69.25388	1.1
71.04969	2.3
72.41924	0.9
79.05495	10.1
81.03405	2.9
81.07047	1.8
83.04981	9.3
84.05326	1.4
85.02903	2.1
95.04981	7.9
95.08553	1.0
97.02898	7.4
97.06533	100.0
98.06884	2.1
109.02886	1.9
109.19783	1.1
111.84660	1.0
117.03392	1.6
117.91441	1.2
123.04433	1.1
127.03918	1.9
135.04398	2.6
141.07031	1.2
145.02887	1.4
157.06464	1.1
157.10049	1.3
161.02432	1.4
161.05962	4.3
163.03911	17.9
167.08580	3.0
169.06471	1.6
171.04344	1.3
171.07979	1.7
173.06013	1.3
175.03937	1.1
175.07526	1.3
185.05925	1.3
185.09572	2.2
187.07440	2.2
189.09088	2.9
193.87468	1.4
195.08046	3.6
198.06818	2.0
199.07539	4.2
201.05426	1.5
203.07162	1.5
203.10614	1.6
209.09642	2.3
211.07507	3.1
213.09042	6.8
215.07051	5.5
215.10689	2.1
217.08492	1.3
223.07486	2.1
225.05534	1.7
225.09143	1.7
227.10733	2.1
229.05098	1.3
229.08766	1.8
231.10236	2.6
237.09140	1.8
239.07130	1.4
241.08578	17.9
241.12253	2.6
255.10396	1.3
257.11682	2.0
259.09653	29.6
260.10046	2.0
267.10336	1.5
267.13724	2.2
271.09637	1.2
283.13297	1.8
285.14914	3.0
293.11545	3.1
299.12698	2.9
309.14905	3.3
311.12830	11.4
311.16211	1.5
313.14297	5.6
327.15845	10.3
337.14371	14.1
355.15384	58.1
356.15662	3.5
373.16275	8.8
471.15909	1.3
499.19531	2.2
517.20331	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	552.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.5
52.05721	0.4
53.03941	1.7
55.01862	2.0
55.05501	1.9
57.03445	2.8
57.07069	1.5
58.56467	0.4
67.05503	5.5
68.99789	1.6
69.03424	10.5
69.07064	6.8
69.52276	2.6
71.01353	2.6
71.04982	0.8
73.02923	1.7
79.05487	13.8
81.03407	1.9
81.07053	100.0
82.07383	2.1
83.04976	5.3
83.08581	0.5
84.05319	0.6
85.02899	42.2
87.00819	8.7
87.04459	1.3
91.05478	1.2
93.07056	0.8
95.04970	2.6
95.08604	16.6
97.02888	18.5
97.03516	1.0
97.06527	30.5
98.03200	0.5
98.06892	1.2
99.04458	1.4
105.01851	2.3
105.07035	0.7
107.04955	0.6
107.08624	0.6
109.02905	0.8
109.10172	2.0
115.03922	16.8
115.07541	0.5
117.03381	0.9
119.08517	0.5
127.03931	0.9
133.02940	0.5
133.10143	0.7
134.48480	0.4
135.04414	2.0
137.13248	21.8
145.02866	1.5
154.15874	0.7
159.04410	0.9
161.02361	2.4
161.06020	0.6
163.03906	11.3
164.04300	1.0
167.08627	0.6
171.02887	5.1
171.08011	0.6
173.02332	7.2
174.02667	0.9
177.05463	0.5
182.85663	0.5
183.02936	1.1
187.07478	0.6
194.11884	0.7
199.07573	0.6
201.03937	14.7
201.05743	0.9
202.04205	0.7
213.09105	1.1
215.07008	10.8
216.07397	1.5
217.04918	0.6
219.04987	46.1
220.05325	0.8
228.10216	0.5
241.08607	4.2
241.12358	0.6
242.08997	0.6
257.08102	0.5
259.09650	31.3
260.09940	3.4
265.12360	0.7
267.13849	0.6
273.11145	1.0
274.11380	0.7
277.10715	1.6
287.12851	0.9
293.11819	0.7
309.14816	1.2
311.12820	2.6
311.16074	0.5
322.08386	0.5
327.15976	1.2
329.13806	0.7
337.14413	2.1
355.15326	7.4
373.16406	1.8
403.13608	0.8
421.15167	0.8
552.21466	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01875	4.3
55.05517	0.9
57.03430	2.4
57.07066	1.5
58.57761	0.4
67.05497	3.5
69.03430	8.4
69.07070	4.0
69.33527	3.0
71.01362	1.2
73.02928	1.2
79.05495	10.1
81.03432	0.7
81.07056	100.0
82.07394	1.7
82.53673	0.5
83.04984	1.3
85.02907	8.9
87.00831	9.6
87.01350	0.7
87.04482	1.6
93.07014	0.6
95.08608	16.6
97.02893	20.5
97.06529	8.2
98.23410	0.9
105.01862	5.0
109.10154	1.4
112.27073	0.4
115.03925	23.5
120.57506	0.4
127.03944	1.6
132.12785	0.5
133.05031	0.6
137.13255	21.2
138.13750	0.5
154.15977	0.6
161.02383	0.6
163.03934	2.7
171.02856	0.7
201.03941	13.2
211.11092	0.5
215.07057	1.1
219.04988	22.0
223.06116	0.9
241.08632	1.3
259.09790	4.3
260.10101	0.6
311.12939	0.5
327.15881	0.6
355.15546	2.9
373.16409	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27552	0.4
53.03946	0.7
55.05512	2.5
57.07064	0.4
58.97103	0.4
61.02907	0.4
65.03928	0.6
66.03675	0.4
67.05501	1.8
69.03416	1.6
69.07063	6.7
70.06587	1.6
79.05496	1.1
80.04991	0.5
81.03412	1.1
81.07072	2.4
83.04977	0.7
83.08615	1.3
84.04507	1.3
85.02905	3.5
85.06506	0.4
86.94305	0.4
91.05479	3.1
93.07047	2.2
95.08607	5.0
96.04494	0.6
97.02886	2.2
98.23379	0.8
103.05459	0.4
105.07023	8.2
107.08598	2.5
108.04504	0.4
109.02837	0.5
109.06456	0.4
109.10160	5.0
115.05439	0.4
117.07008	0.8
119.04926	1.1
119.08580	31.9
120.08102	1.2
120.08845	0.8
121.10124	1.4
122.06049	0.5
123.11665	0.5
126.44046	0.4
127.03909	1.1
130.05000	2.0
131.08565	0.8
133.10129	27.8
134.05986	0.5
134.10472	0.7
135.11681	2.8
136.07617	0.5
137.05946	0.5
137.09581	1.7
145.10132	1.7
147.04416	4.7
147.10629	0.5
147.11691	4.0
149.13257	0.7
152.07076	1.2
160.12492	1.0
163.03917	0.6
164.07048	1.3
173.06012	0.4
173.13239	1.0
175.14818	100.0
176.15169	4.1
180.06485	0.4
181.09752	1.2
187.99471	0.4
193.14134	0.7
193.15880	12.7
198.07622	0.7
200.31635	0.4
201.05490	0.5
202.05728	0.5
218.08063	0.5
226.07089	1.5
231.23415	0.4
240.14020	0.4
244.08054	0.5
346.12732	0.5
372.23712	0.5
441.62576	0.4
534.28918	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
53.04172	0.7
55.01873	13.0
55.05512	12.2
57.03435	11.1
59.04985	2.1
60.05626	0.7
65.03928	1.1
67.05183	1.1
67.05512	14.6
69.03405	1.7
69.07068	5.3
69.30387	2.9
69.30817	2.7
71.05009	3.4
75.08141	0.7
77.03954	0.7
79.05499	24.1
81.03419	11.8
81.07056	15.3
83.01339	8.4
83.04982	10.6
83.08622	7.6
85.02906	4.8
85.06550	1.5
90.43263	0.7
91.05483	26.8
92.05837	0.9
93.07047	22.4
95.04971	10.2
95.08607	11.3
97.02882	2.9
97.06530	7.9
97.10152	1.2
99.04449	2.4
103.05452	1.8
105.04484	0.8
105.07032	22.5
107.04957	13.7
107.08591	11.0
109.06519	7.9
109.10127	3.2
111.04433	3.0
111.08110	1.6
115.05439	3.5
117.07018	9.6
119.04941	1.6
119.08584	19.0
120.08891	1.2
121.06516	5.1
121.10149	9.6
123.08064	11.4
125.05962	1.9
125.09602	1.2
128.06223	2.7
129.05560	0.9
129.07014	9.0
131.04909	1.6
131.08568	7.1
133.06497	17.5
133.10143	3.7
134.06902	0.8
135.04391	1.0
135.08063	3.9
135.11682	8.2
137.05978	1.8
137.09619	4.2
139.07562	1.2
141.06989	2.1
142.07762	1.5
143.08603	5.4
145.06525	1.7
145.10127	13.0
147.08034	2.8
147.11617	1.6
149.09619	3.6
151.07530	6.1
152.41029	0.8
153.06956	0.7
153.12762	1.8
155.08519	2.4
156.09483	0.7
157.06487	0.8
157.10103	3.6
161.09621	1.8
163.11182	17.0
166.07785	1.6
169.10139	1.1
171.08002	1.3
171.11684	10.6
173.09622	5.9
175.11162	1.3
179.10658	0.8
181.10112	2.1
181.12213	2.4
187.11143	1.9
189.12660	4.0
191.10677	3.5
199.11183	7.0
209.11710	7.9
217.12239	7.3
218.84830	0.7
227.12779	4.2
235.13239	2.1
256.69424	0.8
283.15402	100.0
284.15741	5.6
309.16949	55.5
309.20642	1.4
310.17361	2.4
517.27985	31.1
518.28186	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	553.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31591	0.9
53.03941	1.9
55.01860	0.8
57.03436	1.3
69.03416	3.2
70.34288	2.1
70.34659	1.7
79.05462	1.3
80.05016	41.8
81.03415	3.9
85.02901	28.3
91.05489	1.5
92.78616	0.9
97.02876	2.3
97.06514	1.9
105.07088	1.0
105.65626	0.8
106.06551	2.7
107.04947	2.0
119.04987	1.3
127.03937	1.4
131.03384	2.6
131.04980	1.4
136.07570	3.4
137.05974	10.5
147.04440	4.4
150.05495	1.4
151.03873	2.4
163.07541	1.2
164.07066	2.6
169.06474	1.3
174.06589	1.3
175.03900	1.0
182.19031	1.0
187.07539	1.6
207.06598	1.1
210.07608	100.0
211.07927	2.6
215.06947	6.0
225.09192	1.1
233.08092	4.1
259.09695	2.8
261.37213	0.8
289.08701	1.1
321.11243	3.1
339.12177	4.1
393.38739	1.1
462.32019	1.0
480.47916	1.2
536.28296	0.9
553.43542	2.7
571.71362	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2772
Annotation	Saucerneol A
Peak:m/z	Relative Intensity
55.05501	1.6
64.55988	1.5
67.05495	6.5
69.04600	1.4
69.07058	2.8
71.29861	1.3
71.30252	1.7
79.05486	4.1
81.07055	3.7
81.81497	1.2
91.05470	4.1
93.07042	3.7
95.08592	2.8
97.06505	3.2
98.97570	2.4
105.07038	3.3
105.61543	1.4
107.08601	2.8
109.10153	3.0
119.08636	1.7
121.10117	1.9
125.06020	1.6
129.66476	1.6
131.00180	2.4
131.08620	1.9
133.10094	1.6
135.11674	1.9
145.06523	1.5
145.10106	2.0
149.01154	2.6
169.10068	1.5
200.70959	1.7
249.31564	1.4
266.12567	1.6
293.05527	2.0
361.43521	1.6
553.27679	100.0
554.28070	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	553.2982
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
51.87450	0.3
52.12638	0.3
55.05515	0.4
58.06609	0.4
58.95630	0.2
67.05499	0.6
69.34632	0.7
69.35044	1.3
72.81992	0.3
78.44102	0.3
79.05485	0.5
80.61794	0.3
81.03400	0.3
81.07059	0.7
82.38982	0.2
83.01113	1.2
91.05476	0.8
93.07037	0.5
95.01115	0.4
95.08645	0.5
97.06547	0.5
105.07056	0.4
107.08582	0.3
109.10201	0.3
112.24112	0.3
119.08581	0.4
131.83797	0.3
157.04774	0.4
168.71779	0.3
185.04195	1.4
199.85519	0.3
201.03778	0.9
203.05231	2.2
220.24942	0.3
236.14917	0.6
259.07840	1.6
281.27698	0.3
331.09976	2.9
345.11646	0.3
359.12967	0.7
373.14890	0.6
391.24475	0.5
401.17874	0.5
415.19406	1.0
425.82098	0.3
441.20883	0.6
455.22458	0.5
461.59940	0.4
483.21960	1.6
535.28766	0.4
553.29822	100.0
554.30054	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	553.298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.3
64.75655	0.2
67.05477	0.4
67.15527	0.3
79.05487	0.5
81.07047	0.3
83.04986	0.3
91.05460	0.6
93.06997	0.4
95.01061	0.3
95.08594	0.5
96.56567	0.3
97.06514	0.3
107.04967	0.4
107.08609	0.4
117.06968	0.4
121.10137	0.3
138.02922	0.4
139.03662	0.6
185.04227	1.2
201.03709	0.7
217.85406	0.3
259.07846	1.7
275.07443	0.8
301.09131	0.3
331.09995	3.4
345.11511	0.5
359.13132	0.7
361.61243	0.3
373.14749	0.5
401.18283	0.7
415.19559	1.5
441.20895	0.4
455.22641	0.8
483.22400	1.6
495.92325	0.4
496.57898	0.3
535.27325	0.4
553.29797	100.0
554.30084	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	553.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.8
53.00325	0.7
53.03948	5.2
55.01874	12.2
55.05511	30.1
56.05873	0.7
57.03438	5.3
57.07076	89.8
59.05006	6.1
60.52453	0.6
61.02909	0.6
62.68934	0.7
65.03657	0.6
65.03934	3.9
65.73493	0.5
67.05505	60.2
68.05861	0.8
69.03436	1.9
69.07068	24.9
69.92688	0.6
70.53103	2.0
71.01354	6.7
71.04991	9.4
71.08631	61.3
73.02922	0.7
73.06565	1.1
77.03922	1.5
78.85085	0.6
79.05494	41.5
81.02928	1.2
81.03419	34.8
81.07056	70.9
82.07414	1.3
83.01338	4.3
83.04983	21.9
83.05458	1.4
83.08620	32.9
85.02899	9.3
85.06544	5.4
85.10181	34.4
87.04483	1.1
91.04896	1.2
91.05479	29.4
93.07042	40.6
94.04272	0.7
94.07362	0.9
95.04365	1.2
95.04969	15.5
95.05554	1.1
95.08607	68.0
96.08933	1.7
97.02896	13.2
97.06528	12.5
97.10166	13.1
99.04442	3.8
99.08118	1.5
99.11735	2.6
103.05476	1.6
105.04519	2.1
105.07032	14.4
107.04954	20.1
107.08596	21.6
109.02875	1.6
109.06516	9.9
109.10157	27.6
111.04442	44.3
111.08061	4.8
111.11728	3.6
112.04774	1.2
112.45359	0.6
113.06016	2.8
115.05473	1.6
117.07011	15.5
119.08580	18.3
121.06511	11.8
121.09307	0.7
121.10142	17.1
123.04464	1.6
123.08072	8.1
123.11712	11.7
125.05984	10.1
125.09642	3.3
125.13300	2.2
129.07016	5.1
130.07753	3.2
131.04942	0.7
131.08571	11.3
133.10123	3.3
133.67596	0.7
135.08041	4.8
135.11694	22.2
135.12685	1.1
137.05992	1.1
137.09624	5.4
137.13275	5.5
139.07558	2.3
139.84828	0.7
143.08588	1.8
145.06520	2.7
145.10120	30.3
146.10510	1.3
147.08018	5.7
147.11716	1.1
149.09610	2.0
151.14844	1.6
153.07091	0.8
153.12750	15.2
155.08554	3.8
159.11656	0.7
161.09630	1.0
163.11182	54.7
164.11583	2.0
165.09087	0.7
165.16457	1.2
173.09610	11.9
177.12762	1.9
181.12219	13.6
187.11197	1.1
191.10669	14.1
195.13852	2.3
201.59947	0.7
205.12302	1.6
209.11737	33.5
210.12170	1.2
210.89641	0.6
221.22685	1.3
223.13293	53.4
224.13678	2.2
227.12781	18.1
237.19960	0.7
239.23717	16.8
240.23982	1.0
241.14339	48.6
242.14726	1.9
265.14337	6.0
283.15485	1.9
297.16931	7.2
313.27353	17.5
316.36429	0.7
327.67166	0.7
377.08972	0.7
503.37512	1.7
521.38397	100.0
522.38690	8.9
535.39886	2.1
553.40973	98.2
554.41351	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	554.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92015	0.9
55.01848	1.4
62.40012	0.8
63.53426	0.9
69.03420	2.7
70.06590	1.8
71.29810	1.1
81.03393	1.2
85.02912	5.2
91.05460	2.5
94.04169	2.3
97.02879	2.4
99.04478	1.1
103.05480	8.4
105.07032	3.3
107.04929	1.2
107.08510	1.1
109.06499	1.3
115.05479	1.6
117.06998	1.1
119.04919	1.1
122.03651	5.5
123.08054	0.9
127.03926	1.5
128.06239	1.2
129.07002	4.5
131.04924	13.6
131.08687	0.8
133.06470	1.9
137.05968	100.0
138.06302	1.9
145.06442	1.3
147.04399	3.1
151.03912	14.4
151.05077	1.4
155.04881	8.2
157.06505	3.6
161.05933	3.4
163.07536	19.1
172.05171	3.6
183.04417	7.7
187.07520	7.7
189.05400	4.1
189.09070	1.9
191.06987	1.0
200.04683	8.3
201.05431	1.2
205.08633	1.1
207.06519	24.6
213.12344	1.4
215.07018	39.0
216.07288	1.8
219.08168	1.2
229.06566	1.4
233.05713	2.0
233.08060	39.5
237.08878	0.9
246.06802	1.6
257.05850	1.8
261.09100	4.0
263.07135	0.9
265.08749	1.2
274.06262	1.5
278.09277	1.6
279.10165	1.2
289.08591	8.1
292.07306	1.1
297.11209	2.3
306.08786	4.4
307.09497	3.5
311.12643	1.8
313.14404	2.2
321.11209	27.9
322.11499	2.1
339.12241	58.4
340.12372	2.2
357.13315	4.9
375.14313	1.4
429.50803	1.2
471.45319	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43388	1.3
55.01871	1.6
55.05513	5.7
55.52664	1.4
57.03431	2.0
67.05505	3.2
68.05024	2.7
69.03429	15.0
69.07075	2.3
70.06587	2.2
71.01369	2.1
71.29214	2.0
78.40792	1.6
79.05502	4.1
80.05017	5.5
81.03427	6.2
81.07072	3.8
83.04984	5.1
83.62719	1.5
85.02876	7.7
91.05486	3.0
93.07029	3.0
95.04965	2.2
95.08594	1.8
96.08114	2.7
97.02893	7.0
97.06525	17.8
98.06062	7.5
98.06836	2.4
99.04456	4.2
99.08100	2.9
107.08569	2.6
109.02878	2.3
109.10140	2.0
114.09177	4.3
115.05467	2.7
116.07121	4.6
117.06989	1.8
118.92943	1.7
119.08609	2.4
119.50166	1.5
127.03922	2.2
128.05353	1.4
128.06209	3.6
129.07002	17.1
131.04938	4.0
131.08571	6.3
137.05968	3.3
138.09146	1.6
141.07008	1.8
143.08669	1.7
144.05710	2.6
145.06514	4.0
145.10103	1.7
146.07246	1.9
147.04407	2.8
155.04967	4.3
157.06485	8.0
158.07307	5.1
159.04446	2.0
160.05182	3.8
161.02432	2.4
161.05988	6.3
161.09599	3.0
163.03928	12.7
163.98616	1.5
167.08618	2.6
169.06487	5.1
172.05188	3.4
173.02350	3.6
173.06007	6.8
174.06744	28.8
175.03990	2.4
175.07524	12.3
185.09735	1.8
187.07552	29.4
189.05550	1.6
189.09093	29.6
195.07916	2.2
197.06015	4.1
198.06445	1.7
200.04712	7.4
201.05481	2.4
203.07050	5.1
205.04997	5.0
205.08751	1.9
213.09097	4.1
215.07005	35.5
216.07610	3.0
217.08609	3.5
231.10193	2.2
233.08084	100.0
234.08495	2.8
241.08612	2.4
251.09145	12.9
259.09659	52.0
260.09933	5.4
277.10773	3.4
289.17902	2.4
299.54105	1.9
307.19223	2.2
357.17307	1.8
421.14700	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46771	0.6
53.03941	0.7
55.01863	1.0
57.03430	0.8
61.02929	0.6
67.05539	0.7
69.03436	3.2
69.07072	0.8
69.96588	0.6
71.29779	0.8
77.03924	0.7
79.05501	1.1
80.05013	2.0
81.03410	1.3
81.07043	1.0
85.02905	5.4
91.05485	1.6
94.04189	2.5
95.04938	0.8
96.08101	0.6
97.02896	2.3
97.06503	0.7
98.06016	0.7
103.05466	6.8
105.07037	2.2
107.04949	0.8
109.02905	1.0
109.06553	0.6
115.05455	1.5
115.07539	0.9
117.07015	1.0
119.04910	0.7
121.10162	0.6
122.03646	4.7
127.03921	1.7
127.05447	1.0
128.06239	2.1
129.06998	8.8
131.04932	13.3
133.06467	1.8
135.29286	0.6
137.05974	100.0
138.06335	2.9
144.05696	1.7
145.04945	0.7
145.06468	1.8
147.04428	1.6
151.03903	16.1
151.05069	1.4
151.07632	0.9
155.04916	12.3
155.06091	0.7
157.06491	5.1
158.07323	0.8
159.04410	1.1
159.08032	0.9
160.05188	1.0
161.05997	2.8
163.07542	13.4
163.08887	0.7
172.05186	5.2
173.05986	2.4
174.06732	4.0
175.07553	2.2
177.05412	1.4
177.53448	0.6
180.08702	0.8
181.08589	0.7
183.04413	9.8
184.05151	1.2
187.07544	13.3
188.08145	0.7
189.05443	7.2
189.07060	0.8
189.09070	5.2
191.06953	1.0
200.04689	12.9
201.05380	1.4
203.07042	2.0
205.08556	1.0
207.06534	7.6
210.07593	2.0
211.07942	1.1
215.07024	51.6
216.07358	1.8
218.07198	1.4
218.35526	0.6
219.08044	1.0
229.06432	1.9
233.08080	54.1
234.08430	2.5
236.08401	0.7
246.06779	2.6
247.07466	1.7
251.09116	1.4
257.06039	3.4
259.09692	1.9
261.09140	4.5
263.07083	1.5
265.08530	2.0
266.09335	0.9
271.15359	0.8
274.06198	2.1
275.06909	1.0
275.36594	0.6
278.09366	1.7
279.10083	1.1
289.08569	10.3
290.09430	1.5
297.11234	3.2
306.08887	2.7
307.06345	0.6
307.09445	3.1
311.12717	1.4
321.11206	31.6
321.95401	0.7
322.11505	1.3
327.12283	0.8
339.12256	63.4
340.12491	3.8
345.13177	1.2
357.13058	3.8
505.49863	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
53.99857	0.8
55.01872	10.1
55.05513	22.8
57.03435	17.6
57.07073	5.0
59.04993	2.4
60.89169	1.1
61.76819	0.9
65.03933	1.5
67.05505	27.9
69.03422	1.9
69.07070	32.8
71.01343	2.0
71.04981	5.9
71.08604	1.2
71.29585	1.0
71.30023	1.4
74.39861	1.0
79.05492	33.9
79.64857	0.9
81.03421	15.8
81.07059	32.9
82.07388	1.2
82.44167	1.0
83.00896	1.4
83.01348	15.3
83.04988	20.6
83.08619	12.5
85.02898	6.8
85.06549	4.3
91.05479	28.2
93.07046	43.2
93.07635	2.3
95.04977	11.8
95.08046	1.8
95.08605	21.4
96.08930	1.2
97.02892	2.9
97.06525	8.6
97.10175	2.6
99.04470	2.9
103.05474	1.0
105.04562	1.2
105.07034	18.5
107.04964	10.7
107.08591	24.9
109.06525	10.4
109.10143	7.2
111.04439	2.6
111.08082	4.2
111.11713	1.6
113.06009	1.4
117.07020	11.9
119.08588	14.9
121.06496	8.4
121.10149	18.2
122.10521	1.4
123.08081	15.9
125.05990	2.7
125.09620	2.0
129.06943	3.3
130.07799	2.0
131.08580	11.0
132.08853	1.1
133.10155	6.4
135.08038	5.6
135.11688	12.3
137.09589	3.2
139.07562	2.5
141.06998	1.0
143.08594	1.8
145.06490	1.5
145.10120	16.4
146.10449	1.5
146.75810	0.9
147.08018	2.4
147.11696	4.0
149.05901	1.2
149.09613	2.8
149.13268	1.8
153.09064	1.0
153.12784	1.7
155.08554	1.9
157.10231	1.5
159.11659	1.8
163.11172	19.3
163.14816	3.3
173.09630	3.1
173.13242	9.6
181.12262	3.5
181.15904	7.2
191.10677	2.8
191.14311	14.2
201.12723	1.4
209.11763	6.2
209.15411	5.1
219.13718	1.7
227.12801	4.6
237.14932	2.6
255.15935	10.6
258.82513	0.9
283.15402	91.4
284.15778	4.4
311.18512	100.0
312.18808	4.1
362.95779	1.1
380.15717	1.0
459.39072	1.0
519.29523	61.3
520.29724	4.9
555.36017	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37886	36.2
54.13822	33.8
55.05519	49.6
63.19085	31.6
65.30499	34.0
67.05508	64.0
79.05499	66.7
81.03478	31.7
81.07073	53.1
82.92498	32.1
83.04984	34.6
89.27258	33.2
91.05495	100.0
93.07026	65.1
95.08624	79.8
97.06538	48.9
100.45787	36.4
105.07028	48.4
107.08634	60.6
129.07010	60.1
131.08562	57.8
133.10141	50.9
145.10083	39.3
154.24585	36.6
157.03999	35.7
201.12654	38.8
236.14944	62.4
264.02811	33.7
283.15424	67.7
357.22589	36.0
442.39868	38.1
452.29684	41.8
522.70172	44.4
554.29919	47.8
554.37701	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.38
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.4
55.05513	3.8
56.05045	0.7
57.05814	0.9
57.07070	1.6
58.06592	0.4
67.05500	2.1
69.07072	16.6
70.06593	1.5
71.08630	1.5
72.08159	18.5
79.05486	1.7
81.07057	1.9
83.08619	0.8
84.08141	1.2
86.09708	100.0
87.10046	1.1
89.06017	0.5
91.05482	1.2
93.07031	1.7
95.04958	0.3
95.08591	1.1
97.06539	4.3
98.06056	0.4
98.09704	0.5
98.22652	0.9
105.07021	0.7
107.08599	1.0
109.10182	0.6
112.07641	0.6
114.09143	0.7
117.07014	0.9
119.08603	0.7
121.10122	0.8
123.11677	0.5
126.09203	0.7
131.08604	0.6
132.10222	0.8
133.10098	0.8
140.10706	0.5
140.14343	25.9
141.14653	0.6
145.10167	0.6
168.13832	3.7
182.15419	3.4
186.14906	6.5
187.75278	0.4
196.13345	0.9
200.16461	29.0
201.16782	0.9
210.14980	0.5
214.14381	0.8
221.15422	0.6
228.15956	10.6
255.12083	0.4
282.20789	0.8
295.23642	0.6
299.23450	0.4
313.24823	7.9
327.22845	0.6
341.24268	1.9
342.22812	4.5
343.23083	0.4
359.25443	2.7
395.29047	1.1
413.30099	15.6
414.30365	1.0
441.29535	5.4
454.45670	0.4
481.94592	0.4
526.38513	21.0
527.38776	1.9
554.38953	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.38
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.0
56.05021	0.4
57.05794	0.9
57.07073	0.8
58.06566	0.5
67.05518	1.1
69.07071	19.5
71.08648	0.9
72.08155	45.1
73.08488	0.6
79.05489	0.8
81.07062	1.6
83.08611	1.2
84.08142	2.7
86.09707	100.0
87.10055	1.7
91.05502	0.9
93.07029	0.4
94.23840	0.4
97.06533	5.3
98.06065	0.7
98.09691	0.6
98.23363	0.8
99.08097	0.5
105.07016	0.5
107.08633	0.6
109.10197	0.5
114.09187	1.5
118.08682	0.8
126.09165	1.7
129.15022	0.4
133.68507	0.4
135.11656	0.5
140.14330	1.4
154.15906	24.9
155.16269	0.6
168.13863	4.2
182.15367	3.8
186.14893	26.3
187.15247	0.5
196.13322	0.6
200.16455	12.7
210.14915	1.3
214.14371	10.2
228.15968	4.2
278.12396	0.4
281.22250	0.7
299.23288	10.1
313.24869	0.5
327.22784	2.9
328.21085	4.9
330.61554	0.5
341.24457	1.2
345.23871	3.6
367.29758	0.6
395.29190	2.0
412.31531	0.6
413.30090	20.8
414.30304	1.2
441.29541	5.4
505.92072	0.5
526.38495	38.4
527.38745	3.3
554.38684	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.7
53.97237	1.8
55.01882	10.7
55.05513	47.7
57.03437	18.7
57.07085	11.7
59.04997	5.3
67.05511	13.0
68.34532	1.5
69.07072	34.3
69.80463	3.2
69.80856	2.9
71.05003	3.3
71.08643	8.7
79.05500	22.0
81.03414	12.2
81.07064	19.6
83.01330	12.6
83.04993	11.6
83.08622	40.5
85.02917	2.4
85.10178	3.4
87.70113	1.4
91.05478	13.6
93.07056	24.4
95.04968	6.6
95.08611	9.4
97.06546	7.1
97.10176	19.0
99.04465	2.0
105.07042	11.3
107.04951	7.4
107.08601	16.0
109.06505	6.7
109.10170	2.5
111.04482	2.7
111.08071	3.6
111.11740	4.9
113.28272	1.4
117.07015	7.7
119.08569	8.0
121.06495	3.1
121.10161	8.7
123.08041	10.4
125.06014	2.7
125.09657	2.0
131.04895	2.4
131.08549	4.5
133.10091	1.8
135.08069	1.7
135.11707	13.7
136.20938	1.6
137.09613	1.8
141.25838	1.5
145.10156	13.4
147.08090	2.5
153.12746	3.1
163.11195	25.4
173.09610	3.3
181.12128	2.9
191.10707	2.7
194.16803	1.5
209.11694	7.2
227.12798	4.4
283.15408	100.0
284.15768	4.5
311.25803	85.5
312.26093	3.4
411.98843	1.5
519.36804	57.9
520.36871	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	554.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	10.1
55.05511	20.4
57.03436	19.0
57.07074	54.0
60.40943	4.1
67.05505	36.4
69.07067	12.5
71.08627	39.9
79.05496	28.4
81.03412	14.1
81.07055	53.5
82.07394	4.8
83.04978	11.4
83.08618	20.2
84.46810	3.6
85.10172	17.6
85.34562	3.6
91.05472	32.3
92.15691	3.2
93.07047	19.4
93.08250	3.1
94.07394	4.5
95.04988	7.5
95.08612	31.7
96.08980	3.9
97.02894	4.9
97.06531	4.4
97.10176	5.8
105.07033	41.5
106.02720	3.5
107.04973	12.4
107.08587	17.0
109.06506	4.5
109.10143	13.6
111.04411	10.2
112.04787	3.6
117.07039	11.3
119.08620	21.0
121.06498	5.1
121.10144	7.9
123.04468	4.4
123.11664	6.8
128.06213	11.0
129.07010	9.3
131.08548	19.0
133.10110	14.5
135.11703	9.3
143.08585	15.0
145.10101	15.9
146.10512	4.3
147.08081	5.9
153.12767	4.7
157.10092	5.2
159.11728	4.2
161.09569	9.1
163.11180	13.1
164.11563	4.7
171.08017	4.6
189.09074	14.2
191.10707	5.8
207.10139	6.3
209.11711	10.4
210.12093	5.7
223.13322	9.0
224.13675	3.9
239.23622	7.2
241.14322	10.8
242.14667	3.9
253.51158	3.8
281.13837	48.1
311.25711	6.8
313.27310	100.0
314.27750	6.0
331.17844	4.5
519.36969	37.8
522.38623	24.6
554.41431	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.2
55.01873	6.3
55.05513	37.1
57.03431	15.8
57.07077	18.5
58.07384	2.1
59.04991	3.2
61.69816	1.8
62.31875	1.6
65.03936	2.4
67.05505	35.6
69.03424	2.0
69.07071	33.5
69.07928	15.9
71.04993	3.3
71.08636	12.4
79.05493	27.8
80.05808	2.5
81.03417	13.0
81.07056	35.7
82.07377	2.3
83.01355	9.2
83.04995	11.5
83.08618	32.2
85.02921	2.6
85.06544	3.4
85.10169	6.6
89.06033	9.1
91.05485	18.8
93.07052	33.5
94.07368	2.0
95.04965	9.5
95.08598	28.7
96.08933	2.1
97.02865	1.9
97.06523	8.1
97.10165	14.1
99.04446	3.1
105.07027	9.9
107.04975	7.2
107.08588	16.9
109.06525	5.0
109.10148	9.4
110.10474	2.0
111.04446	6.6
111.08097	2.9
111.11702	2.9
117.07027	8.4
119.08572	9.7
120.08951	1.9
121.06509	5.3
121.10133	18.7
123.08076	7.3
123.11713	5.3
125.05991	2.7
125.09684	3.6
130.07799	2.2
131.08595	4.0
133.08601	5.0
133.10123	5.0
135.08095	3.6
135.11702	24.5
136.12038	2.5
137.13293	2.8
143.08617	2.5
145.10103	16.6
149.13284	4.2
153.12755	4.3
163.11186	24.2
164.11510	3.0
173.09627	4.2
177.11298	2.1
181.12222	4.3
191.10660	4.0
209.11760	14.4
209.63591	1.7
210.12163	3.0
223.13202	4.2
224.13554	3.9
227.12753	7.8
237.22035	4.4
241.14346	5.9
242.14551	2.9
269.76639	2.0
283.15399	100.0
284.15701	5.3
311.25790	91.9
311.29474	4.0
312.26111	5.7
313.27042	2.4
327.20560	3.0
351.38309	1.8
499.72061	1.9
519.36835	51.3
520.37097	7.1
522.38800	9.1
541.30994	1.9
554.41266	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	554.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25800	0.7
55.01876	1.6
55.05511	7.7
57.03429	2.1
57.07077	40.9
58.07405	1.1
59.04974	1.0
61.53178	0.7
67.05515	5.9
69.07069	8.1
71.05009	1.3
71.08633	33.9
72.08949	1.2
73.06554	7.7
79.05499	4.5
80.05813	1.2
81.03424	3.1
81.07048	6.1
83.01365	1.0
83.04996	1.2
83.08635	8.3
85.02907	1.1
85.06554	0.9
85.10181	20.0
87.04474	3.1
89.06033	100.0
90.06365	1.1
91.05489	4.3
91.07608	0.8
92.05819	1.1
93.07040	5.9
95.04976	2.1
95.08608	5.8
97.06516	1.5
97.10172	9.0
99.11731	2.7
105.07042	2.7
107.04935	1.0
107.07091	3.0
107.08592	3.2
109.06562	1.0
109.10169	1.9
111.04436	2.0
111.11731	3.1
113.13268	2.0
117.07012	1.7
117.09138	3.1
119.08583	3.1
121.06548	1.0
121.10181	2.9
123.08023	0.9
123.11723	0.9
125.13273	1.3
127.14857	1.9
130.08641	1.3
131.08569	1.8
133.08609	41.7
135.08017	0.9
135.10152	0.9
135.11740	2.0
137.09592	0.9
137.48849	0.8
139.14867	0.9
141.16402	1.2
145.10104	3.0
149.09691	0.7
155.17923	0.8
161.11824	0.8
163.11139	4.4
164.11548	0.8
177.11215	16.1
181.12186	1.2
195.12109	0.9
209.11707	0.9
211.24239	2.2
221.13817	3.6
223.13260	1.2
224.13673	1.1
239.14937	1.8
241.14354	1.9
255.26773	1.3
283.15085	6.8
283.18124	1.4
299.29517	3.8
311.25739	6.2
313.27719	1.0
327.20084	8.1
343.32050	1.9
365.87592	0.9
519.36652	4.7
522.38721	3.7
537.43732	4.6
554.41235	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	555.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.4
55.01871	33.0
55.05239	1.6
55.05510	27.9
57.03438	3.2
57.07079	5.3
59.05010	1.9
65.03951	4.6
67.05502	66.1
69.03442	3.2
69.07068	34.2
69.13467	4.9
71.04991	3.7
71.08637	5.4
73.06557	1.0
76.59547	0.9
77.03933	1.8
79.05490	78.9
80.05822	1.7
81.03419	17.2
81.07056	72.6
83.04977	14.3
83.08628	11.3
85.06566	3.6
85.10183	1.7
87.04501	0.9
91.05477	90.0
92.05809	1.5
93.07040	58.1
95.01330	10.2
95.04970	23.6
95.08607	45.9
97.02907	1.4
97.06529	59.7
97.10171	5.4
98.06884	1.3
98.98473	8.7
99.08112	3.4
103.05481	2.7
105.04540	3.4
105.07027	84.5
106.07371	2.0
107.04951	25.8
107.08587	24.0
109.02896	1.6
109.06528	9.1
109.10155	12.7
111.04459	1.3
111.08095	5.3
113.09662	1.9
115.05464	3.1
117.07010	20.8
119.05012	1.3
119.08575	47.2
121.06480	5.4
121.10120	10.9
123.04489	2.7
123.08052	8.9
123.11724	3.3
125.09631	3.3
127.07520	1.2
128.06265	3.8
129.07001	12.7
129.07874	1.0
130.07768	1.4
131.04974	0.9
131.08565	23.7
132.08923	1.0
133.06549	2.5
133.10126	38.8
133.53427	0.9
135.08049	4.3
135.11682	11.3
135.12543	1.0
137.09601	4.6
139.07561	2.8
141.07018	2.9
142.07811	1.0
143.08575	8.9
145.06540	2.8
145.10110	21.7
147.08083	3.4
147.11681	32.0
148.11998	1.0
149.09608	10.5
149.13281	3.8
151.11189	4.6
153.09038	1.1
155.01045	8.2
155.08585	2.7
157.06447	0.9
157.10133	5.2
159.08098	1.9
159.11702	15.4
161.09628	4.3
161.13254	14.5
161.14372	1.2
163.11177	7.8
165.09148	3.4
165.12715	1.3
167.08647	1.3
169.10173	4.3
171.11667	16.8
173.09641	1.2
173.13277	5.5
175.11237	2.2
175.14873	1.3
177.12758	4.3
179.10776	1.1
179.14307	21.2
179.15739	1.2
181.12317	1.0
183.11783	2.9
185.13359	3.0
187.11153	6.5
187.14850	1.4
189.12799	6.8
195.11768	0.9
195.13907	2.1
197.13338	3.1
199.14986	1.4
201.12778	1.5
205.12256	1.7
207.13774	10.3
209.13243	1.2
211.15005	1.0
213.16351	1.5
215.18085	2.1
219.17545	1.8
223.13380	1.7
225.14873	1.3
229.19586	3.7
233.15459	1.1
239.18071	3.2
241.14417	1.8
241.19376	1.1
247.20657	4.7
257.19009	8.3
259.20587	4.2
263.16614	1.4
275.20047	100.0
276.20410	4.7
279.15878	8.0
281.17569	1.6
291.19559	1.6
293.21106	10.9
297.22150	1.1
313.27380	7.4
317.06369	1.4
331.22708	1.1
349.23859	3.6
447.32486	1.1
454.68347	0.9
470.58148	0.9
522.76239	0.9
537.36304	2.2
555.28607	2.1
555.36938	39.7
556.37274	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	556.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.6
63.49831	1.7
69.03437	3.6
70.06588	1.8
70.60413	2.3
70.60741	2.0
71.04974	1.6
81.03419	1.7
83.04961	2.9
85.02908	4.8
89.64556	1.6
91.05464	4.5
97.02897	3.1
103.05469	10.1
105.07036	3.2
109.06526	2.6
111.04439	1.9
115.05423	3.3
119.04922	5.7
122.03635	7.0
125.05982	2.7
128.06226	4.4
129.07001	17.4
131.04919	22.6
137.05974	100.0
138.06361	2.6
143.04898	4.1
145.06442	2.4
147.04391	6.0
149.06006	3.0
151.03940	1.6
151.07545	2.1
153.05481	4.6
157.06483	19.7
160.05241	4.5
161.05954	7.0
161.09576	1.6
163.07538	12.4
171.24620	1.6
172.05173	3.9
174.06744	5.2
175.07544	33.2
179.07065	2.0
187.07544	34.4
189.09081	32.7
199.07455	2.3
203.08612	2.9
205.08502	4.0
207.10188	4.4
211.07529	2.6
217.08591	11.0
219.08138	2.6
219.10027	2.3
227.06946	2.2
231.08093	3.0
239.06955	2.2
247.07486	3.0
248.08286	2.7
251.10860	2.3
255.06532	2.4
263.10617	6.0
270.08847	4.8
271.09570	3.7
279.10165	7.4
280.10715	1.9
283.09619	4.3
291.10196	8.5
308.10043	1.9
311.12790	22.2
312.13022	2.1
323.12759	13.8
324.13074	3.0
329.13818	2.1
341.13794	21.5
438.04651	1.7
456.38406	2.0
556.39673	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	556.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.6
60.61584	2.3
63.07191	2.2
65.03957	2.6
69.03426	6.4
70.06590	3.1
71.29867	2.9
72.08773	2.2
79.05518	6.0
81.35872	2.5
83.04990	2.6
85.02911	7.7
91.05480	35.6
97.02888	2.7
103.05471	51.5
105.03390	7.0
105.07035	20.5
107.04938	5.7
109.02892	2.6
109.06525	10.0
115.05472	5.9
119.04945	41.2
121.02871	2.7
121.06518	5.3
122.03660	3.3
123.08089	3.6
126.05508	2.7
127.03935	4.1
128.06204	4.4
129.06990	7.3
131.04921	98.0
133.02855	9.5
133.06488	23.5
135.04404	2.8
137.05977	100.0
137.07040	4.8
142.46307	2.5
145.06485	3.6
147.04407	21.2
147.08101	3.4
148.04863	3.2
149.05986	4.7
151.07539	16.8
157.06497	7.1
159.08105	2.7
160.05234	2.5
161.05978	74.1
162.06737	8.1
163.07545	43.1
165.05536	5.2
175.07538	26.1
179.07036	20.3
179.10686	2.9
187.07582	19.6
189.09181	7.8
193.08643	4.6
199.07571	4.0
205.08582	10.0
217.08539	5.5
219.08098	4.9
235.09941	2.7
251.10695	4.4
279.10080	4.9
291.09961	6.7
309.11285	7.2
311.12762	17.3
323.12836	7.4
329.13593	3.4
341.13870	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	556.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.3
55.01875	2.3
55.05510	4.9
57.36091	1.2
58.66171	1.1
67.05492	2.8
69.03436	4.3
69.07067	3.6
71.01358	5.8
71.28623	1.7
72.53400	1.2
79.05509	2.5
81.03404	2.4
83.04979	23.6
85.02893	4.1
85.06542	3.7
91.05431	1.6
93.07056	1.9
95.04975	6.0
97.02885	3.4
97.06532	16.7
97.90113	1.2
99.08096	2.1
101.05994	2.2
109.02877	2.0
117.06995	1.4
117.43166	1.4
119.08621	1.3
124.68364	1.2
128.06189	1.3
131.04987	1.3
131.08597	1.7
141.06958	3.3
143.08557	2.6
147.04425	2.4
159.08025	2.1
160.05202	7.0
161.02336	2.0
161.05994	21.7
163.03918	14.1
166.12561	1.5
167.08534	1.8
169.06519	6.5
173.05977	4.0
175.03922	3.0
185.05933	2.4
185.09656	2.9
187.07559	6.7
189.09096	33.4
195.08076	4.6
197.06009	4.0
200.04736	5.0
213.09132	5.8
215.07014	32.4
216.07225	1.8
217.08650	8.6
233.08086	5.1
241.08630	3.1
259.09662	100.0
260.10022	5.3
277.10779	2.7
278.12775	1.5
289.17902	2.1
290.18240	2.2
342.04123	1.3
359.14978	8.1
488.96628	1.5
557.08746	6.1
557.24146	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.1
53.32319	0.7
55.01874	1.8
55.05514	5.2
57.03434	1.6
67.05507	3.0
69.03086	0.8
69.03426	3.3
69.07064	6.8
71.04981	2.1
73.70006	0.7
79.05486	6.5
82.57027	0.8
83.04486	1.7
83.04980	25.0
85.06540	1.9
89.03912	1.2
94.70070	0.7
97.02917	1.3
97.06534	59.8
98.23369	2.3
101.06022	2.0
107.05025	0.8
108.80340	0.8
115.03944	0.8
117.03396	2.6
133.02855	1.3
135.04446	5.5
136.24898	0.8
145.02867	3.3
147.04376	1.1
159.04446	2.7
159.10722	0.7
161.02339	9.1
163.03908	30.3
164.04156	0.8
169.06537	0.8
173.02356	18.9
187.07471	1.0
197.06050	1.0
215.07037	24.8
216.07335	1.5
241.08562	1.9
259.09656	100.0
260.09979	5.3
277.10773	1.0
341.14255	0.8
353.80560	0.8
359.14886	11.6
362.88669	0.8
391.13882	1.1
399.38159	0.9
521.20349	2.5
557.19983	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	556.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27611	2.1
55.01862	2.2
55.05514	11.4
55.59194	2.1
57.03442	3.0
67.05508	7.4
69.03421	10.1
69.07059	6.2
70.06567	2.5
70.59099	5.7
71.01337	2.4
71.04983	7.7
79.05495	5.7
81.03416	4.8
81.07034	3.4
81.28060	2.1
83.04983	87.0
85.02911	5.0
85.06538	10.5
86.44450	2.4
91.05481	3.3
94.02959	2.8
94.92765	2.3
95.04973	6.4
95.08621	3.0
97.02882	7.7
97.06530	30.9
98.06018	2.6
101.06018	8.9
107.08584	2.5
129.06972	3.1
135.04396	2.4
141.06990	3.6
147.04393	4.7
152.06117	4.2
157.06464	3.2
159.08113	2.9
160.05173	4.5
161.02292	3.8
161.05966	18.2
163.03896	24.4
167.08560	7.4
169.06468	7.9
173.02327	5.7
173.05928	4.8
175.03911	4.4
175.07539	5.9
184.05142	3.9
185.09554	3.5
187.07501	6.3
189.05408	4.0
189.09105	15.9
195.08076	13.3
197.06013	5.8
199.07370	3.3
200.04707	6.7
203.05376	2.4
203.07092	6.3
213.09123	22.1
215.07039	40.7
215.10530	3.8
217.08603	7.9
223.07623	3.2
226.06239	2.7
231.10051	10.9
241.08588	24.1
259.09650	100.0
260.09955	7.7
315.13269	2.4
359.14871	11.6
521.19708	5.6
557.25861	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.2
55.05511	14.9
57.03434	12.3
57.07076	33.8
57.59434	1.5
67.05501	15.6
69.03249	3.3
69.03640	14.5
69.07057	7.3
70.06594	4.8
71.08628	21.5
79.05495	14.2
81.03437	5.7
81.07057	18.8
83.01345	3.8
83.04971	7.4
83.08623	13.1
85.10180	11.8
88.07650	3.1
89.06030	3.2
91.05495	6.2
93.07053	17.1
95.04986	4.6
95.08609	19.4
97.06536	3.2
97.10142	3.9
98.23300	3.2
102.09195	2.6
105.07037	4.3
107.04972	4.2
107.08588	7.4
109.06520	3.7
109.10178	5.0
111.04430	2.4
117.07003	5.6
119.08544	2.9
121.06543	2.7
121.10136	3.6
123.08088	3.0
123.11706	2.6
131.08524	2.1
133.08618	1.6
135.11694	10.7
137.13243	1.8
138.37233	1.4
145.10153	10.2
146.11804	1.6
153.12834	1.6
157.14592	1.6
163.11188	19.9
191.10657	2.8
209.11789	5.8
221.05560	1.7
223.66083	1.4
227.12770	14.4
239.23735	2.1
256.26340	3.5
283.15384	72.1
283.26266	15.3
284.15918	2.7
300.29016	8.7
313.27328	100.0
314.27756	5.1
398.11273	2.0
521.38361	61.0
522.38580	6.8
556.52972	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.0
53.08067	1.3
55.01884	8.3
55.05513	16.6
57.03446	13.2
57.07077	29.7
59.05000	3.0
59.94139	1.5
65.03931	1.8
67.05506	22.5
69.07073	8.6
70.06590	1.7
71.05002	3.0
71.08640	22.2
79.05502	16.1
81.03411	6.5
81.07062	28.2
83.01348	7.1
83.04982	6.2
83.08617	9.8
85.02926	1.6
85.10190	12.1
89.00446	1.4
89.06035	12.1
91.05489	13.4
93.07053	22.4
95.04966	5.6
95.08612	23.3
97.06538	3.6
97.10165	3.3
99.04451	1.9
105.07030	12.8
107.04959	8.0
107.08581	10.8
107.52018	1.5
109.06531	3.6
109.10155	9.5
111.04453	3.5
111.08082	1.8
117.07037	7.6
119.08587	7.6
121.06473	2.0
121.10154	5.3
123.08072	5.7
123.11759	2.3
131.08606	4.8
133.08653	8.5
133.10161	2.0
135.11705	6.3
145.10085	10.1
146.81155	1.5
150.97940	1.5
163.11195	14.6
177.11227	1.9
181.12181	1.9
192.77034	1.7
199.14839	1.9
209.11736	6.8
223.13452	3.6
227.12781	5.3
239.23688	2.9
257.24768	2.4
283.15414	62.9
283.26245	4.5
284.15671	3.1
313.27383	100.0
314.27496	3.1
371.22577	3.9
413.16177	2.5
414.16858	2.2
428.18594	2.1
452.64063	1.8
521.38391	66.8
522.38751	3.7
539.36584	1.9
556.52930	9.0
557.24109	10.6
557.38336	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	556.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92109	2.7
53.03940	3.2
55.05517	34.0
57.03438	17.9
57.07080	27.6
67.05507	21.6
69.07073	28.4
71.04993	5.6
71.08623	10.7
74.55955	2.4
79.05495	16.9
81.03422	41.5
81.07071	32.2
83.04987	9.4
83.08621	38.7
85.02907	16.6
85.10172	11.1
89.06048	16.1
91.05492	19.4
93.07035	15.8
95.04973	17.6
95.08579	18.5
97.02876	4.3
97.06509	6.6
97.10169	21.0
102.09245	3.8
105.07008	15.1
107.04961	8.2
107.08599	8.6
109.06500	5.0
109.10136	6.2
111.08076	7.0
111.11723	6.1
117.07022	4.0
119.08589	13.6
121.10133	9.5
129.06993	8.2
131.08569	7.4
133.08586	7.8
133.10110	3.6
135.11664	6.5
145.10161	7.1
146.10512	3.0
147.11719	9.1
149.09695	3.8
156.11201	3.4
157.10136	12.0
163.11209	6.2
164.68556	2.9
173.16269	3.3
175.11226	8.9
177.11272	3.4
193.12222	26.4
208.60420	2.9
209.11746	5.7
211.13292	34.3
223.14928	4.1
267.15952	12.5
283.15424	38.6
283.26334	13.9
285.16974	29.1
300.28943	3.3
311.25851	67.5
311.29364	7.1
312.26401	4.1
313.27362	34.4
322.48761	3.7
503.36972	7.1
521.38452	100.0
522.38177	8.3
556.53027	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	556.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88840	3.1
53.03935	7.7
55.01875	6.1
55.05507	51.6
57.03436	28.0
57.07078	34.2
65.03934	4.0
67.05505	41.8
68.99057	7.4
68.99441	33.0
69.07069	58.8
70.06580	5.3
71.05007	7.5
71.08631	18.2
79.05489	38.3
81.03419	45.7
81.07055	46.1
83.04992	18.3
83.08612	61.4
85.02903	22.0
85.10179	9.2
88.21103	3.1
88.36996	3.2
89.06020	18.1
91.05480	42.8
92.05805	5.6
93.07043	38.3
95.04971	24.7
95.08612	21.8
97.06532	8.0
97.10159	26.2
98.22652	8.7
105.07048	33.9
107.04965	4.4
107.08599	14.0
108.97006	2.9
109.06535	6.4
109.10158	12.3
111.04427	4.1
111.08090	9.3
111.11716	5.7
115.05460	3.9
115.90088	2.8
117.07048	6.2
119.08581	24.3
120.66270	3.6
121.10109	16.0
123.11745	6.5
129.07002	15.7
131.08585	18.2
133.08617	14.4
133.10127	15.1
135.11732	10.6
142.07840	4.4
142.54150	3.3
143.08519	4.6
145.10109	7.8
147.08055	5.0
147.11694	13.9
149.09650	5.2
153.12558	3.6
157.10133	18.0
160.55603	3.1
163.11226	4.5
173.09653	4.7
175.11209	11.0
177.11269	6.5
193.12247	45.2
211.13307	54.9
237.22244	3.7
267.15939	18.4
269.28363	3.1
283.15286	17.4
283.26343	11.6
285.16928	56.6
311.25809	84.8
311.29382	8.1
312.26178	5.3
313.27451	17.8
341.51465	3.7
371.22763	3.8
503.37082	19.3
521.38330	100.0
522.38574	9.2
556.40460	11.1
556.53131	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.9655
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	5.8
69.09965	0.6
69.10274	2.7
69.94760	0.4
71.95257	1.2
73.76468	0.4
98.97585	78.0
99.97924	0.8
116.98625	40.4
134.99663	10.8
140.00151	0.6
146.73726	0.4
153.00691	0.9
162.21031	0.4
169.70226	0.4
172.94347	3.6
190.95354	3.7
208.96497	1.1
214.95456	3.2
232.96477	9.4
250.97533	3.8
256.96426	17.9
258.99774	2.4
261.03006	0.4
272.94482	0.6
274.97510	100.0
275.97900	2.1
276.98047	0.8
277.00803	3.6
278.01105	0.6
279.00659	0.7
282.99951	0.7
284.99704	0.6
288.91971	0.4
290.95340	0.9
292.98569	59.5
293.99100	1.2
297.99152	1.6
298.97650	0.9
301.01077	1.1
302.01367	0.7
303.00790	1.0
316.00201	0.8
316.98843	1.2
330.93036	0.5
359.00128	0.5
372.94666	0.5
398.97678	3.1
401.00781	0.5
414.95367	30.5
415.95844	1.9
416.98737	8.8
417.99033	0.6
432.96451	46.1
433.96832	1.4
434.99698	1.7
441.99066	0.4
443.02158	0.5
450.97498	8.0
455.97955	1.1
470.24323	0.4
472.94461	1.5
514.95477	0.9
553.99750	0.4
556.96625	10.0
557.96851	1.3
574.98651	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.12
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57512	1.0
56.96561	2.4
68.98287	1.2
69.03432	2.5
70.52105	2.1
70.52432	1.8
81.03405	1.5
82.99876	3.7
85.02932	2.3
85.84045	1.1
97.02914	3.2
98.97599	4.7
101.00878	27.2
102.00967	1.6
109.02924	2.2
110.97565	1.8
112.89603	1.4
113.00900	5.2
116.98645	2.1
117.04038	1.9
119.01921	41.9
120.02041	1.8
127.02402	7.8
129.03932	1.3
131.01904	21.2
133.03540	2.5
137.00803	1.3
137.02956	3.4
139.02417	2.0
141.03955	4.0
143.01884	33.7
144.01971	2.2
145.03467	48.4
145.04646	2.5
146.03587	2.2
147.01402	2.0
149.02951	2.2
153.04045	1.5
155.01892	21.0
157.03461	8.8
158.99707	1.5
159.05031	14.5
161.02946	36.8
163.04556	8.6
167.01897	11.0
169.03461	30.6
170.99744	1.5
171.01422	4.2
171.05038	9.8
173.02951	29.5
174.03090	1.6
175.04509	3.0
177.06076	2.2
179.01901	3.5
181.03476	5.5
183.05042	2.5
185.02954	50.1
186.03146	2.1
187.04521	59.9
188.04742	4.0
189.00865	2.0
189.02440	12.1
189.06122	3.0
191.04036	1.6
195.01520	2.6
197.02960	17.5
197.06618	1.6
199.04524	13.7
201.00729	1.7
201.02448	1.8
201.06154	2.7
203.04025	18.0
207.03508	2.2
209.02940	2.1
211.04527	10.4
213.02428	15.1
213.06076	2.8
214.02449	1.5
215.00374	1.4
215.04007	12.9
217.05807	1.3
219.01773	2.2
221.05118	3.4
223.04552	3.2
225.02441	4.5
227.04047	12.1
229.05602	4.1
231.01318	1.2
231.03548	23.3
232.03696	1.7
233.05257	1.3
237.02707	2.2
239.04164	2.2
243.03537	3.9
245.05064	100.0
246.05342	5.8
249.02422	1.6
249.04645	2.5
251.02563	1.7
255.03529	1.9
257.01471	4.4
257.05023	4.4
261.02518	2.0
261.04858	2.1
263.06073	12.6
271.06641	12.9
273.04568	2.7
275.02515	46.7
275.06119	22.9
276.02676	2.5
287.02469	15.0
289.07663	2.6
293.03552	13.3
293.07120	5.6
294.03723	1.5
297.04514	2.3
305.03601	16.6
305.07205	10.1
315.05511	5.5
316.05228	1.3
317.03290	2.1
333.06622	1.7
335.04599	19.9
335.08295	6.0
341.03546	4.3
359.04617	17.0
360.05060	1.5
365.09390	7.7
370.09277	1.7
377.05606	37.7
378.05908	3.3
395.06671	47.9
396.06879	4.2
407.45950	1.3
497.09241	1.8
539.10956	6.1
557.11926	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	557.2722
Annotation	Roridin E acetate
Peak:m/z	Relative Intensity
53.03946	1.3
53.34902	0.6
55.01870	1.1
55.05503	2.1
57.03424	1.6
67.05509	5.1
69.07059	2.0
71.05047	0.6
71.30398	0.9
79.05488	6.0
81.03397	2.1
81.07051	5.1
83.01345	1.0
83.04972	1.4
83.08617	1.0
91.05478	5.9
93.07033	5.7
95.04958	2.1
95.08607	3.1
97.06515	1.6
97.10146	0.5
99.08057	0.6
104.10744	0.6
105.07041	4.5
107.04976	2.7
107.08598	2.6
109.06531	1.2
109.10181	1.3
115.05426	0.7
117.07034	2.5
119.08588	3.6
121.06536	0.6
121.10153	1.9
123.08071	2.0
129.06998	1.2
131.08563	1.9
133.06509	0.9
133.10123	3.1
135.08052	1.2
135.11676	1.1
137.09615	0.8
143.08614	1.7
145.10117	2.7
147.11642	0.6
151.07549	0.6
159.11685	1.3
163.11186	1.8
171.11690	1.6
173.09746	1.0
173.13193	0.8
187.11383	0.5
192.28621	0.6
218.00668	0.5
219.17436	0.6
223.83746	0.6
249.10950	4.8
257.19199	0.9
275.12500	7.6
275.20099	2.5
283.15317	1.0
305.13519	4.1
309.16791	0.7
331.15173	9.7
332.15424	0.8
557.27173	100.0
557.34528	4.1
558.27515	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	557.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	2.0
53.03943	9.0
55.01629	2.8
55.01875	26.9
55.05510	58.3
57.03437	12.1
57.07076	2.8
59.04999	3.0
65.03936	4.2
67.05504	71.9
67.37557	1.5
68.05855	2.6
69.03425	4.2
69.07068	43.4
69.49166	6.7
71.04998	8.3
71.08636	4.4
73.06535	1.9
77.03938	3.3
79.05492	82.2
81.03414	22.5
81.07053	82.7
83.01346	7.0
83.04990	22.2
83.08620	25.6
85.02905	2.1
85.06554	5.3
91.05479	98.0
92.05818	3.9
92.13255	1.5
93.07040	75.6
94.07355	2.6
95.01342	11.5
95.04968	19.8
95.08609	45.2
97.02896	2.9
97.06525	27.1
97.10173	18.6
99.04436	3.0
99.08103	5.1
103.05491	4.3
105.03423	1.6
105.04491	2.6
105.07027	100.0
107.04949	26.3
107.08597	44.3
107.09291	3.2
109.02878	5.1
109.06513	17.3
109.10152	17.8
111.04464	4.0
111.08092	7.1
115.05447	4.7
116.06197	1.7
117.07008	37.9
118.07342	2.0
118.71265	1.6
119.08578	54.6
121.06501	8.2
121.10144	21.1
123.04463	3.7
123.08051	10.9
123.11697	2.3
125.06030	2.3
125.09628	12.9
128.06203	5.5
129.05501	2.2
129.07005	17.8
130.07808	4.5
131.04890	2.8
131.08562	47.5
131.09489	3.5
132.08925	2.3
133.06516	4.4
133.10132	59.0
135.08049	11.8
135.11691	19.3
137.09653	3.8
139.07588	2.1
141.07018	7.0
142.07835	3.5
143.08568	21.2
144.09283	2.6
145.06500	6.9
145.10118	48.9
147.08084	4.9
147.11681	24.9
149.05988	3.0
149.09605	11.5
149.13284	2.7
151.07530	2.1
151.11215	4.5
153.07030	2.1
153.12755	5.1
155.08540	13.2
157.06558	2.2
157.10141	15.8
159.08081	6.4
159.11681	23.4
161.09637	4.9
161.13205	8.9
163.11172	25.0
165.09128	3.2
165.12772	2.9
167.08598	6.4
168.09363	2.2
169.10091	12.4
171.08060	5.0
171.11685	12.6
173.09619	6.0
173.11972	2.4
173.13228	11.3
175.11226	4.1
175.14906	1.9
177.12743	7.8
179.08617	2.7
179.10707	3.4
179.14281	16.5
181.10146	5.0
181.12231	3.9
183.08214	2.1
183.11705	12.4
185.09648	4.2
185.13223	7.6
187.11220	5.9
187.14890	2.1
189.09091	2.1
189.11253	4.3
191.08649	2.1
191.10620	2.3
191.14275	2.0
193.10205	1.9
193.12280	2.0
195.08105	2.5
195.11664	6.2
197.09665	3.0
197.13315	8.7
199.11179	3.5
199.14896	3.9
201.12744	4.0
201.16330	2.3
203.14375	2.2
205.12177	1.8
207.11711	3.8
209.11743	5.0
209.13492	2.8
211.11218	2.0
211.14827	2.8
215.14214	2.4
215.17941	2.7
217.65080	1.6
219.11755	2.9
219.13860	3.5
219.17432	21.4
221.13251	3.2
223.11252	2.2
223.14931	3.1
225.12875	2.0
227.12846	5.2
229.19589	3.6
233.13304	1.7
233.15556	2.4
235.14928	1.9
239.17935	6.1
247.20601	2.9
249.10878	2.2
257.18954	18.2
259.20685	4.8
269.19202	1.9
275.20053	89.0
276.20419	4.1
281.13922	3.8
283.15298	8.6
285.22147	4.8
293.21106	4.9
295.20624	2.4
297.18280	1.9
311.20154	2.0
313.21582	12.0
323.20117	2.4
331.22720	2.3
341.10208	5.0
344.53104	1.7
349.23856	2.2
419.29346	8.6
429.28281	2.7
437.30496	7.2
447.28815	14.5
465.29922	31.5
466.30258	4.5
483.31104	17.5
511.34039	11.6
512.34308	2.5
513.35468	2.1
521.32776	4.2
529.35278	20.9
530.35101	3.3
539.33612	46.2
540.34125	4.2
557.27063	11.6
557.34674	96.1
558.35614	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	557.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.4
53.03946	8.4
53.60009	0.7
53.67017	0.8
55.01871	23.7
55.05511	36.5
56.05823	0.8
56.26603	0.8
57.03432	6.3
57.07076	1.8
59.04995	4.0
65.03936	4.8
67.05503	62.2
68.05828	0.7
69.03417	2.3
69.07067	39.1
69.37354	0.7
71.01354	1.5
71.04984	5.8
77.03919	2.2
79.05008	1.6
79.05490	65.8
81.03416	17.6
81.07053	88.8
82.07386	1.1
83.01335	7.7
83.04979	20.2
83.08145	1.2
83.08619	17.6
85.02901	2.4
85.06533	2.9
91.05479	86.2
92.05808	1.9
93.07040	63.3
94.07362	1.4
95.00753	1.2
95.01324	14.4
95.04966	18.3
95.08602	44.4
96.08928	1.2
97.02872	2.9
97.06528	28.6
97.10177	5.2
99.04431	2.6
99.08072	1.9
103.05460	4.4
105.04506	2.8
105.07027	100.0
106.07374	2.4
106.98683	0.8
107.04952	34.5
107.08590	29.9
109.06522	16.4
109.10154	11.6
111.04456	2.7
111.08070	5.5
113.09625	1.5
114.24329	0.7
115.05455	3.7
116.06223	1.8
117.07013	27.1
119.08577	51.4
120.08919	1.6
121.06500	6.5
121.10141	14.3
123.04427	3.0
123.08065	9.9
123.11687	2.6
125.06013	2.1
125.09630	3.9
128.06219	2.9
129.06998	7.0
130.07787	2.9
130.08655	0.8
131.04933	1.5
131.08566	30.9
132.08847	0.8
133.06503	1.3
133.10127	50.8
134.10510	1.6
135.08038	8.1
135.11691	16.7
137.09584	4.4
139.07545	1.8
141.06966	2.5
142.07776	0.9
143.08569	6.4
144.09256	0.8
145.06467	3.0
145.10117	33.0
146.10490	1.8
147.08043	3.9
147.11685	20.8
148.12010	1.3
149.09627	9.5
149.13243	6.2
151.11194	2.2
153.12733	4.2
155.08556	3.7
157.10172	4.9
159.08080	2.1
159.11679	16.2
159.19881	0.8
161.09650	1.5
161.13254	7.9
163.11183	22.5
163.14838	1.5
164.11531	1.6
165.09108	2.2
165.12817	1.1
169.10120	2.7
171.11684	5.1
173.09630	2.7
173.13272	5.4
175.11185	1.6
177.12724	5.9
179.10852	0.9
179.14301	24.7
181.12257	3.0
183.11691	2.4
185.13251	1.5
187.11249	3.8
187.14771	1.3
191.10745	2.4
193.12294	1.2
195.13785	1.0
197.13263	4.1
201.12697	1.0
201.16327	1.0
205.12245	2.0
209.11711	3.1
213.16525	0.9
215.17862	1.2
219.17421	13.9
220.17764	0.8
223.13286	1.0
227.12784	2.1
229.19571	3.3
233.15367	1.3
239.17969	3.5
241.14207	1.4
247.20586	3.4
257.18976	10.2
259.26483	0.8
265.14471	1.0
275.20053	94.6
276.20496	5.3
283.15448	2.7
291.19412	1.0
293.21130	6.3
331.22678	1.1
349.23749	3.2
539.33710	3.6
557.34674	46.2
558.35175	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	557.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.4
53.03948	5.7
53.77134	1.0
55.01868	3.7
55.05513	26.9
57.03438	7.4
57.07076	3.8
63.89738	1.0
65.03947	2.9
67.05505	53.8
69.03416	1.1
69.07074	19.0
69.17782	1.8
69.18179	4.4
71.04999	4.0
71.08643	1.4
74.41129	0.9
79.05492	49.9
80.05837	1.1
81.03428	5.3
81.07056	51.3
82.07394	1.1
83.04980	6.9
83.08618	14.0
85.06538	4.5
91.05480	53.5
93.07043	48.1
95.04966	8.4
95.08601	36.0
97.06526	5.7
97.10163	4.7
98.23429	1.2
99.08092	2.7
103.05482	2.4
105.04570	1.9
105.07030	45.3
107.04952	8.2
107.07867	1.6
107.08597	26.3
108.08870	1.0
109.06528	5.4
109.10161	13.3
111.04479	1.3
111.08096	4.0
115.05454	2.7
117.07018	24.0
119.08577	37.4
121.06519	2.9
121.10155	14.5
123.08074	6.9
123.11728	3.2
125.09660	2.8
128.06226	5.2
129.07001	22.1
129.07884	1.7
130.07826	2.9
131.08571	38.5
133.06570	1.7
133.10133	26.6
135.08112	3.8
135.11679	13.8
137.09602	2.1
141.06987	7.5
142.07788	5.1
143.08557	27.9
145.06525	2.7
145.10124	33.9
147.08075	2.6
147.11681	24.3
149.09688	3.3
149.13301	5.8
153.07065	1.3
154.07780	2.3
155.08562	21.6
156.09273	1.3
157.10138	21.1
159.08095	2.5
159.11693	20.9
161.09633	1.8
161.13261	15.0
163.11259	3.4
163.14822	2.1
165.07025	2.1
166.07852	1.1
167.08565	10.3
168.09351	3.9
169.10133	25.6
170.10806	1.7
171.08098	1.7
171.11684	28.4
173.09686	2.9
173.11870	2.2
173.13258	14.4
175.11263	3.1
175.14850	5.4
177.12764	3.1
179.08583	4.3
180.09393	1.9
181.10130	14.7
182.10910	3.0
183.11688	21.6
184.12306	1.5
185.09595	2.1
185.13255	16.5
187.11212	3.3
187.14764	7.0
189.12790	4.4
191.08661	1.3
191.10600	1.0
191.14384	1.3
193.10194	5.1
194.10957	1.4
195.11684	13.3
196.12389	1.5
197.13280	14.7
199.11194	2.5
199.14807	7.5
201.12762	2.3
201.16447	3.3
203.14377	1.3
205.10318	1.3
205.12340	1.4
207.11713	2.7
207.13829	5.6
209.11565	1.9
209.13272	10.0
211.14787	9.6
211.16331	0.9
213.12979	1.3
213.16374	14.1
215.18138	1.3
219.11836	1.2
219.17517	1.3
221.13293	4.2
223.14886	6.6
225.16420	5.3
227.17981	1.9
229.15881	1.7
231.17526	3.1
231.21053	1.5
233.13335	1.5
235.14828	5.1
235.16924	2.2
237.16389	3.2
239.18053	2.9
241.14177	1.3
241.19518	8.3
242.19864	1.2
247.14774	1.6
247.17012	3.9
249.16335	2.3
249.18636	1.6
251.18062	2.3
257.19064	4.1
259.20587	14.2
261.22092	2.1
275.20221	1.8
277.21872	1.2
279.15680	5.7
279.20996	1.8
281.17419	9.5
285.22223	1.7
287.20160	2.7
293.19012	1.2
295.20612	1.9
297.18179	1.0
297.22247	2.8
299.23682	1.7
309.22101	1.5
311.19995	1.5
311.23773	1.4
313.21729	2.3
315.23218	2.2
321.22046	3.1
323.23795	3.1
325.25238	2.3
333.24319	5.8
335.23654	2.9
337.25485	1.6
339.23361	3.1
339.26828	1.4
341.24945	2.2
349.25357	3.5
351.23032	1.3
351.27069	1.5
353.24713	2.8
355.26175	1.2
367.26279	2.1
379.26694	1.7
401.32019	1.2
419.33179	5.6
429.31454	5.5
437.34354	11.2
447.32611	24.5
448.32666	2.3
455.35464	1.5
465.33685	31.1
466.34253	3.0
483.34677	19.4
484.35355	1.3
485.34241	1.5
501.35931	3.2
503.35144	2.1
511.37894	1.9
521.36304	8.3
527.37286	2.4
529.39063	7.3
537.04834	1.2
539.37317	100.0
540.37817	8.1
543.91229	1.3
557.38367	56.4
558.38617	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	558.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29846	0.5
53.00077	0.6
53.00303	3.3
53.03939	2.2
55.01881	3.1
55.05511	14.4
57.03438	5.9
57.07060	0.9
59.04991	2.6
62.25483	0.5
65.03924	0.7
67.05178	1.0
67.05507	11.5
69.03416	2.0
69.07059	2.3
71.01339	1.6
71.04976	1.3
73.02911	0.9
75.99809	0.5
79.05058	0.9
79.05489	9.9
81.03411	4.7
81.07058	16.7
83.04969	2.2
83.08620	8.8
85.02950	0.6
85.06528	1.2
88.07615	0.9
91.05480	19.7
93.07038	13.0
93.26684	0.5
95.04969	4.1
95.08619	4.5
97.02876	2.6
97.06493	2.9
97.10165	2.2
99.00816	18.3
99.01462	1.1
99.04458	0.8
102.09173	0.8
103.05462	1.4
105.07030	13.6
106.07407	0.8
107.04952	6.2
107.08601	7.4
109.02880	10.2
109.06535	2.7
109.10162	4.3
111.04456	1.4
111.08078	2.8
113.05993	1.0
115.03917	2.2
117.07014	2.5
119.04945	1.2
119.08588	7.2
121.02843	0.9
121.06496	7.9
123.04424	1.5
123.08086	1.3
123.11681	2.4
127.03886	3.0
128.06245	1.0
129.06972	1.2
131.08563	1.9
133.06476	1.8
133.10130	31.6
135.08018	1.3
135.11687	1.5
137.05968	1.9
137.09605	2.4
139.07527	2.8
143.08560	4.3
145.06529	0.8
145.10126	1.7
147.08075	1.4
149.02342	2.5
151.11176	9.3
153.06897	0.8
157.20624	0.6
161.09619	18.1
162.10034	0.7
163.11147	1.6
171.08037	2.9
179.10666	9.6
189.09106	8.0
193.04945	2.6
197.11792	3.9
200.20065	3.1
207.10143	3.5
225.11201	16.1
226.11665	0.9
236.14885	1.2
243.12241	5.3
275.20197	0.7
276.20410	0.7
281.13803	5.1
283.15289	0.7
299.14883	100.0
300.15216	5.9
385.08994	2.4
387.31201	0.6
491.26260	1.5
505.25092	0.6
523.25336	30.7
524.25604	2.6
528.32556	0.6
558.26917	4.5
558.35083	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20059	1.4
53.03945	5.0
55.01873	12.0
55.05513	22.5
57.03439	14.2
59.04998	6.0
67.05502	28.1
69.03426	4.0
69.07072	9.1
69.94908	4.5
71.01360	5.6
71.04984	9.0
79.05491	43.5
80.05853	1.3
81.03415	30.7
81.07057	29.4
82.07391	2.0
83.01348	9.6
83.04980	21.2
83.08621	13.9
85.02877	7.4
85.06539	4.2
87.04480	1.7
91.05484	28.8
91.30518	1.7
93.07044	42.4
95.04987	14.4
95.08611	17.0
97.02889	8.9
97.06549	14.4
97.10187	3.4
99.04460	3.4
99.08090	1.6
103.05460	1.6
105.07040	18.0
107.04961	18.3
107.08594	20.3
109.06516	13.2
109.10168	5.2
111.04438	27.6
111.08092	5.0
113.06020	1.9
115.05499	1.7
117.07001	15.2
119.08577	14.9
121.06493	9.7
121.10139	15.4
123.08047	9.9
125.05996	7.6
125.09643	3.2
129.06952	3.4
130.07755	3.1
131.08560	11.8
133.06551	1.8
133.10133	4.7
135.08069	3.8
135.11694	23.1
137.09644	3.4
139.07515	1.5
143.08566	2.5
145.06450	2.5
145.10121	29.6
146.10503	2.6
147.08075	5.1
147.11728	1.4
149.09578	2.5
153.12718	10.2
155.08575	4.8
159.11719	1.4
163.11185	43.3
164.11543	1.8
167.92705	1.4
173.09642	10.5
181.10217	1.3
181.12189	6.8
189.09109	1.7
191.10675	9.5
209.11737	20.8
223.13252	21.3
227.12756	14.7
241.14343	33.4
241.16635	2.7
242.14771	1.9
265.14362	5.8
283.15396	100.0
284.15762	4.0
315.18011	29.6
339.85590	1.4
352.49048	1.6
455.24213	2.3
473.25360	6.3
491.26315	54.3
492.26630	5.4
523.29010	32.6
524.28833	2.6
558.34985	5.4
559.28650	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	558.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33694	3.6
53.03954	8.1
55.01859	7.0
55.05515	25.1
57.03445	10.9
57.07075	15.5
61.02937	6.8
61.33534	4.1
65.03918	4.7
67.05506	100.0
68.05812	4.7
69.07070	25.9
69.40536	9.7
69.40946	13.0
71.08633	13.4
73.60179	3.9
79.05494	67.4
81.03416	9.0
81.07061	73.6
82.07400	6.5
83.04971	8.9
83.08624	15.9
85.02912	6.7
85.06562	9.5
91.05488	78.3
92.05825	6.8
93.07045	65.2
94.07336	4.5
95.04982	10.8
95.08616	56.0
97.06518	8.2
97.10171	11.9
98.23328	7.2
99.08112	7.4
105.07027	60.9
107.04984	5.3
107.08601	43.7
108.08955	5.3
109.06556	6.3
109.10146	31.6
115.05481	5.5
117.07027	28.3
119.08579	48.7
120.08907	6.1
121.10125	34.4
123.11700	8.4
125.09604	5.2
128.06206	4.7
129.05482	7.6
129.07022	16.8
131.08562	36.7
133.10118	39.8
135.08124	9.2
135.11723	16.2
137.09615	5.4
142.07652	4.9
143.08633	20.0
145.10089	24.4
147.11674	23.7
149.09619	17.9
149.13251	6.4
155.08556	5.8
157.10144	20.9
159.11649	8.3
161.09621	9.8
161.13278	16.2
163.11240	10.3
163.14783	5.7
169.10051	7.3
171.11702	24.0
173.13251	8.6
175.11259	6.8
175.14871	11.9
177.12804	4.5
177.16328	8.0
179.14409	3.9
185.13275	19.2
189.12880	5.7
189.16373	8.1
199.14818	12.9
201.16385	5.0
203.14413	5.8
203.18002	16.7
209.11661	7.4
227.17821	4.1
229.14478	4.3
231.66449	5.3
241.19583	4.6
245.22614	6.0
259.20624	8.4
259.24219	9.0
264.76636	3.9
269.22592	30.1
277.21658	10.6
287.23706	41.6
291.19452	8.1
361.27161	6.4
369.22672	9.1
379.28229	12.4
383.24307	5.7
420.34344	4.3
466.33969	7.0
540.37518	21.6
541.35754	6.2
558.38818	12.7
559.36041	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82186	3.5
55.05516	17.9
57.03432	21.9
57.07078	46.5
57.70071	3.6
58.18201	3.5
67.05513	34.5
67.97231	3.6
69.07061	14.3
69.51420	7.3
69.51829	18.6
71.04995	5.3
71.08637	26.8
79.05495	25.8
81.03425	63.8
81.07052	39.1
83.04975	15.1
83.08621	37.3
85.02914	20.2
85.10179	20.2
91.05486	35.6
93.07039	19.1
95.04969	22.0
95.08616	34.7
97.10175	10.8
98.23288	7.3
102.89719	3.7
105.07049	15.7
107.04932	6.3
107.08601	6.9
109.10171	12.4
111.08104	16.6
119.08569	20.6
121.10145	7.8
123.11717	6.8
129.06967	8.0
131.08609	10.9
133.10138	13.4
147.11667	20.5
149.09663	4.7
151.78055	3.8
154.62920	4.1
157.10156	12.6
175.11241	10.0
193.12248	59.5
202.11580	3.9
211.13307	68.9
212.13576	4.6
214.69969	3.5
239.23660	4.1
246.57382	4.0
267.16031	18.2
285.16989	60.2
305.13556	4.2
313.27362	100.0
314.27713	8.2
363.72803	3.7
412.45032	4.4
454.46164	4.4
455.11874	4.0
505.38748	15.8
523.39960	67.8
524.40558	6.8
558.53760	6.3
559.36072	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	558.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.1
55.05512	17.0
57.03441	15.2
57.07074	42.0
67.05511	37.4
69.07079	15.3
71.04984	6.8
71.08632	21.5
79.05509	22.7
81.03425	34.8
81.07044	34.1
81.86054	5.2
82.07390	6.8
83.05014	10.5
83.08617	28.6
85.02909	14.9
85.06518	5.4
85.10172	13.1
91.05488	16.4
93.07059	19.3
95.04978	22.3
95.08610	31.8
97.10196	14.6
98.23447	11.7
103.72678	5.3
105.07044	24.6
107.08590	12.5
109.10170	20.6
111.08077	8.2
116.68672	6.4
119.08562	18.2
121.10159	6.1
123.11662	5.3
129.07011	6.6
133.10159	7.7
135.11711	10.1
136.12039	5.6
147.11711	8.9
157.10191	10.2
163.11240	9.3
171.15845	5.5
175.11172	12.0
193.12309	25.5
211.13287	30.8
227.12794	12.8
239.23985	6.8
267.15897	17.7
283.26505	7.1
284.15640	7.6
284.26746	14.3
285.16904	38.6
285.26968	6.1
297.88202	5.5
301.29468	7.6
313.27332	96.6
314.27603	8.9
315.28094	8.0
347.36456	6.3
505.38934	8.7
523.39734	100.0
524.39990	9.2
557.53534	6.9
558.44550	5.5
558.53546	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	3.5
53.69559	2.9
55.01864	7.2
55.05522	13.9
57.03428	4.9
65.03941	3.2
67.05508	28.1
68.99903	32.8
69.03428	7.2
69.07064	9.8
79.05493	21.4
81.03419	8.9
81.07065	15.8
83.01337	3.4
83.04974	29.9
84.74359	3.1
91.05481	19.1
93.07052	17.4
95.04966	27.5
95.08605	7.8
97.06530	27.1
105.07072	13.6
107.04948	9.0
107.08596	9.8
109.06511	3.8
109.10166	3.7
115.05473	9.8
117.07008	5.7
118.06541	8.3
119.08586	7.7
121.06493	4.3
128.06229	5.1
129.07048	5.4
130.06535	97.7
131.08588	10.3
132.08083	8.5
133.10132	8.6
137.09605	3.3
141.06993	8.6
142.06554	7.2
143.08575	6.2
144.08075	26.3
145.06488	5.0
145.10136	10.0
146.06000	14.7
147.04414	5.9
149.02339	4.5
153.07018	6.5
155.08578	6.0
157.06476	5.4
159.08052	4.4
159.09203	21.8
160.05191	2.9
161.05971	8.8
163.11194	5.4
165.07018	6.9
167.08588	11.1
169.06493	6.7
170.06047	22.2
171.08023	6.3
173.06013	14.6
173.09666	5.2
175.03914	7.6
179.08505	3.8
181.06496	8.6
181.10008	3.4
183.07925	5.7
185.07208	15.5
185.09650	7.1
187.03880	10.9
187.07565	9.4
188.07005	38.3
188.08302	4.1
189.05486	6.2
193.05003	9.0
193.06589	3.7
193.10013	3.2
195.08069	11.4
197.06001	12.0
197.09579	5.6
199.03947	7.4
199.07564	10.0
201.05446	9.1
201.09042	17.4
203.03455	3.4
207.02866	10.0
208.12500	3.3
209.09615	4.7
210.10233	4.6
211.07530	9.9
211.11172	7.2
212.08238	3.4
213.05510	3.6
213.09074	13.8
215.03387	11.0
215.06976	35.0
215.10721	5.4
217.04982	10.6
217.08546	6.4
219.08026	3.8
221.09636	4.2
223.07524	7.2
225.09137	15.5
227.07033	5.7
229.04927	3.5
229.08595	11.3
231.07872	13.6
237.09166	7.8
238.09909	6.6
239.07005	4.4
239.10658	6.0
239.14328	4.6
241.08644	19.3
243.06506	14.1
243.10219	6.0
245.08092	7.8
251.10655	4.0
253.08531	3.8
255.10127	4.4
259.09586	17.9
261.07544	3.8
267.10162	3.0
267.11270	3.5
267.13754	24.4
277.21597	3.1
283.15485	7.1
285.07568	4.5
285.14874	7.1
291.13690	4.5
295.10059	3.8
295.13208	6.9
299.15033	3.9
303.08569	7.0
309.14886	12.8
311.12820	22.4
313.14081	5.9
319.13391	7.9
327.15897	14.7
337.14359	31.3
355.15372	100.0
356.15707	5.8
366.17047	5.6
462.85840	3.5
469.91431	3.1
495.22757	42.0
496.23175	3.6
507.26074	3.5
513.24176	15.3
523.21991	5.3
559.26886	10.3
559.35541	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	559.2879
Annotation	Annomuricatin C
Peak:m/z	Relative Intensity
51.01737	0.5
53.03938	1.2
55.01873	2.5
55.05510	8.3
57.03428	2.7
57.07080	1.1
58.53362	0.6
65.03918	0.8
67.05502	11.3
68.27673	0.5
69.03432	0.9
69.07054	4.5
71.04998	1.7
71.08621	1.6
71.30135	0.5
75.59261	0.5
79.05492	10.9
81.03412	3.2
81.07052	10.7
83.01326	0.7
83.04548	0.5
83.04986	3.2
83.08617	3.8
85.06527	1.2
89.06027	1.3
91.05477	9.8
93.07051	10.4
95.04961	3.1
95.08603	6.1
97.02880	0.8
97.06520	1.9
97.10167	4.9
99.08080	1.1
105.07029	10.1
105.26019	0.5
107.04961	2.1
107.08579	8.4
109.06528	1.7
109.10160	3.3
111.04452	0.7
111.08087	1.0
115.05441	0.7
117.07024	6.4
119.08570	7.0
119.09338	0.7
121.06497	1.7
121.10119	4.2
123.08063	1.3
123.11715	0.7
125.09638	4.0
128.06221	1.0
129.06989	3.2
131.08574	6.1
133.06520	0.8
133.10124	4.5
135.08017	1.3
135.11676	3.2
135.85521	0.5
137.05992	0.8
137.09601	0.7
141.07019	0.9
142.07799	0.6
143.08568	3.3
145.06470	0.6
145.10146	6.6
147.08028	0.6
147.11713	3.4
149.09734	0.8
149.13234	1.3
151.11250	1.0
152.67122	0.6
155.08607	1.6
157.10118	3.4
158.67131	0.6
159.08014	0.8
159.11662	3.8
161.09586	1.0
161.13257	2.6
163.11179	2.8
163.14839	0.9
166.07698	0.6
168.09241	0.5
169.10141	1.4
171.11717	2.5
173.09668	0.7
173.13281	2.4
175.11241	0.6
177.12672	0.6
179.14381	1.3
181.10097	1.0
181.12192	0.9
183.11739	1.7
185.09616	0.6
185.13249	2.1
187.14890	1.2
189.11243	1.7
191.14299	0.9
193.10130	0.8
193.12163	0.7
195.11728	0.8
197.13281	1.0
199.14813	1.5
207.11777	0.6
209.09598	0.6
209.11630	0.8
209.13390	0.9
221.13377	0.9
227.12749	2.7
237.16310	0.7
241.19496	1.0
249.10945	5.9
257.18988	0.9
259.20447	3.0
273.18567	0.8
275.20096	1.1
277.14133	2.8
277.21692	1.4
283.15195	2.8
291.19629	0.7
295.20538	0.7
297.22055	2.7
305.13718	2.2
311.18634	1.4
315.23138	2.3
333.16733	8.9
333.24268	1.2
353.24530	0.6
421.31097	1.0
431.29218	1.2
449.30542	1.6
457.32471	0.6
467.31677	2.7
485.32629	2.8
513.35693	0.9
523.34058	1.8
531.36682	0.8
541.35291	14.0
542.35620	0.9
559.28687	100.0
559.36121	7.9
560.29028	9.4
560.37091	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.4
53.09367	0.5
54.07403	0.4
57.03389	0.5
67.83759	0.4
69.03367	1.2
69.03717	0.4
69.07020	0.6
70.43689	1.0
80.37611	0.4
81.03358	0.7
83.04887	0.7
85.02843	0.9
85.06499	1.1
95.08537	0.9
97.02853	0.8
97.06455	2.1
99.04436	0.9
102.15066	0.5
105.06855	0.6
107.08457	0.5
112.48767	0.4
127.03853	0.8
138.44583	0.5
163.03740	0.9
164.04263	0.6
224.02823	0.5
259.09592	0.9
260.10007	0.6
330.91751	0.5
349.23624	1.1
379.24542	2.5
397.25586	100.0
398.25909	7.1
421.14731	0.6
559.18512	5.2
559.30896	95.3
560.18073	0.7
560.31274	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	559.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
55.05510	2.3
57.03436	1.3
57.07078	2.5
58.07397	0.5
67.05505	2.0
69.07069	2.4
69.09220	1.1
69.09644	1.0
71.04992	0.3
71.08639	1.2
79.05499	2.1
81.03415	2.2
81.07061	2.9
82.03769	0.3
83.04993	0.7
83.08615	2.8
84.75719	0.2
85.02912	0.8
85.10190	0.9
91.05467	2.0
92.05812	0.6
93.07042	1.6
95.04981	1.0
95.08611	1.8
96.05295	0.3
97.06544	0.4
97.10167	1.6
98.22537	0.5
105.07020	1.6
107.05038	0.4
107.08614	0.9
109.06537	0.6
109.10163	0.8
111.08095	0.5
111.11710	0.4
117.07043	0.3
119.08610	1.0
121.10155	0.8
123.11742	0.5
127.07906	0.2
129.07039	0.7
133.10130	0.7
135.11702	0.5
141.75330	0.3
145.10074	0.4
147.11761	0.4
148.12010	0.4
149.09659	0.4
155.08588	0.3
157.10153	0.5
163.11256	0.5
171.97948	0.3
176.11638	0.3
193.12230	2.1
194.12590	0.9
211.13293	2.3
212.13644	1.7
236.34001	0.3
238.02979	0.3
249.10992	8.7
253.76080	0.3
267.15948	0.8
268.16360	0.6
283.15353	0.3
285.16995	1.7
286.17194	1.6
305.13651	4.4
311.25854	2.4
313.27411	1.9
314.27744	3.1
333.23990	1.2
435.74469	0.3
506.39639	0.4
524.40356	3.4
559.36023	100.0
560.36298	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	559.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.6
55.01867	10.9
55.05513	54.9
57.03431	12.3
57.07070	4.2
59.05008	3.4
64.47974	1.4
65.03944	4.5
67.05505	51.5
69.03412	3.4
69.07069	20.9
70.55530	2.7
70.55878	1.9
71.04984	5.4
79.05494	54.1
81.03428	10.7
81.07059	52.2
83.01344	2.3
83.04988	12.6
83.08627	26.3
85.06546	5.0
91.05478	55.0
93.07042	46.4
95.04971	9.4
95.08605	28.3
97.02913	2.7
97.06541	5.9
97.10165	33.0
99.08111	2.8
103.05464	1.9
105.04545	2.5
105.07027	49.9
107.04948	6.1
107.08597	34.2
109.06518	7.0
109.10169	17.4
111.04440	2.6
111.08092	4.5
115.05432	4.1
116.06230	2.3
117.07014	30.4
119.08578	38.8
121.06523	2.7
121.10145	16.8
123.08086	5.3
125.09634	30.3
128.06258	5.6
129.07016	19.4
130.07756	3.3
131.08569	43.9
133.06505	2.6
133.10141	25.1
133.76947	1.9
135.08075	5.9
135.11713	11.4
137.09622	2.1
141.07014	5.1
142.07796	4.3
143.08562	26.6
144.09331	2.9
145.06543	2.0
145.10123	40.6
147.08052	3.1
147.11687	23.4
149.09549	2.2
149.13271	4.0
151.11151	3.1
153.07037	3.0
153.09077	3.6
153.12740	4.0
154.07771	2.3
155.08553	14.6
156.09300	2.6
157.10104	20.7
159.08055	3.1
159.11694	23.8
161.09573	2.9
161.13240	16.1
163.11179	14.3
167.08595	5.5
169.10094	10.1
171.08066	2.0
171.10298	2.9
171.11662	19.9
173.09610	3.9
173.13254	16.8
175.14848	6.2
177.12697	2.3
179.08586	2.3
180.09364	3.0
181.10124	6.5
181.12247	3.7
183.11671	12.4
185.09656	2.2
185.13255	15.4
187.11308	3.2
187.14847	6.9
189.11223	17.0
189.12743	2.6
191.10693	2.3
193.10201	3.1
195.11699	6.2
197.09554	2.1
197.13255	6.1
199.11154	3.2
199.14821	9.5
201.12714	3.6
201.16394	1.6
209.11613	3.8
209.13319	4.0
211.14891	3.0
213.16359	4.3
221.13353	4.0
222.81905	1.5
223.14864	4.3
227.12746	29.0
227.14754	2.0
235.17290	1.9
237.16429	3.0
239.18118	2.5
241.19434	11.8
245.13519	2.4
257.18979	5.6
259.20572	23.0
263.17856	1.9
273.18274	1.9
275.20117	5.0
277.21689	2.7
279.21097	1.9
283.15283	15.8
285.22092	3.6
287.23645	3.0
291.19586	2.1
295.20642	2.3
297.22086	20.6
313.21655	4.8
315.23203	21.0
325.21396	1.7
331.22644	4.2
333.24310	10.3
337.21368	1.9
351.23538	2.0
353.24911	2.3
369.23825	1.9
371.25781	2.5
421.31027	5.7
431.29306	7.3
439.32016	4.0
449.30554	13.7
467.31482	14.8
468.31796	1.9
485.32629	18.3
486.33243	3.0
513.35760	5.1
516.62744	1.6
523.34216	11.6
524.34967	2.5
531.36523	3.0
541.35229	100.0
542.35516	11.2
559.36316	41.2
560.36560	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	559.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.8
55.01871	10.3
55.05512	62.2
56.30247	2.0
57.03442	12.7
57.07061	5.8
59.04992	3.0
61.47188	1.9
65.03931	5.6
65.60764	1.8
67.05503	86.7
69.03421	6.2
69.07066	26.6
71.04985	6.5
71.08614	5.1
71.28596	2.3
79.05490	72.9
79.19946	1.7
81.03419	13.4
81.07053	70.6
82.07366	1.8
83.01369	1.8
83.04985	14.0
83.08620	30.3
85.02916	4.8
85.06541	6.1
91.05478	67.4
93.07043	66.6
94.06570	2.3
95.04972	15.4
95.08609	40.4
97.02908	4.7
97.06523	10.0
97.10168	36.0
99.00848	2.7
99.08085	5.1
103.05469	5.6
105.04552	1.9
105.07029	66.3
107.04973	10.5
107.08592	47.4
109.02853	4.8
109.06518	8.4
109.10161	25.2
111.04439	6.1
111.08071	6.4
113.09665	2.4
115.05450	6.6
117.07018	33.3
119.08578	46.6
119.34563	1.7
121.06507	6.2
121.10133	25.5
123.08067	7.1
123.11701	6.0
125.09644	31.9
128.06204	8.0
128.07149	1.6
129.07004	21.9
130.07787	3.7
131.08563	50.6
133.06459	3.8
133.10123	40.0
133.11078	3.5
135.08040	7.4
135.11694	20.9
135.76144	1.9
137.09665	1.9
139.11182	2.2
141.06985	3.9
142.07799	4.4
143.08560	32.5
144.09283	2.3
145.06479	4.4
145.10123	40.2
146.10422	2.6
147.08041	7.8
147.11668	22.1
149.09663	3.9
149.13251	9.6
151.11168	4.7
153.09081	1.9
154.07817	1.7
155.08524	12.7
156.09250	3.5
157.06458	3.1
157.10124	24.7
159.08064	2.8
159.11674	30.9
160.12051	2.0
161.09619	7.5
161.13295	15.2
163.11148	14.5
163.14867	1.9
165.06847	2.2
167.08530	4.9
168.09367	2.0
169.10149	13.9
171.10252	4.5
171.11639	21.8
173.09648	5.4
173.11726	2.9
173.13226	22.5
175.11263	3.7
175.14827	5.0
177.12735	2.8
179.08527	3.9
179.10670	2.5
179.14334	8.2
181.10124	7.8
181.12231	3.9
182.10992	2.8
183.11658	13.4
185.13246	17.3
187.11127	2.7
187.14819	7.8
189.09349	3.8
189.11232	18.3
189.12727	2.7
189.16460	3.2
191.10675	2.7
193.12221	2.3
195.11714	10.2
197.13248	10.2
199.14798	9.9
201.16443	4.0
208.92957	1.9
209.11539	3.5
209.13235	6.9
211.11267	2.3
211.14818	3.9
213.16333	5.5
217.15840	2.6
221.13229	3.8
223.14870	3.1
225.11176	3.2
225.16449	2.9
227.12733	28.8
237.16389	4.4
241.19527	11.3
245.13776	2.8
257.19019	7.2
259.20563	24.8
261.22195	5.8
262.25317	11.0
263.25604	6.7
269.22501	2.6
271.20569	2.4
273.18576	3.3
275.20029	7.6
277.21643	8.3
279.21118	2.4
283.15356	16.1
285.22128	3.5
287.23700	2.8
289.21786	3.3
291.19614	5.7
295.20499	4.3
297.22119	22.8
313.21643	3.9
315.23160	26.3
331.22687	3.0
333.24255	11.2
337.21396	3.3
421.31018	6.4
431.29282	7.7
439.31885	4.2
449.30600	14.8
457.32736	2.2
467.31442	18.8
485.32526	23.3
486.32758	3.1
495.34451	2.5
513.35803	11.7
515.33459	3.3
523.34137	14.6
531.36456	5.5
541.35181	100.0
542.35492	10.1
559.36157	83.8
559.48523	3.4
560.36475	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	559.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.7
55.01870	11.7
55.05512	32.6
56.05829	1.4
57.03431	6.3
57.07063	4.9
59.04987	4.2
65.03936	4.5
67.05504	61.4
68.99438	1.3
69.03432	4.0
69.07069	21.4
71.01348	2.0
71.04992	6.7
71.08631	34.2
71.29944	2.5
77.03881	1.4
79.05491	66.4
80.05820	2.0
81.03427	16.0
81.07055	75.8
82.07385	1.8
83.01338	4.7
83.04980	20.0
83.08627	15.4
85.02890	2.7
85.06552	3.8
91.05479	56.9
92.05791	1.7
93.07043	77.6
95.04965	21.0
95.08607	43.7
97.02891	3.4
97.06520	13.4
97.10175	6.2
99.08092	23.0
103.05517	1.7
105.04504	3.1
105.07030	40.6
107.04958	16.4
107.08595	37.7
109.06498	9.2
109.10142	14.6
111.04449	2.6
111.08084	5.0
113.09663	2.8
115.05487	1.4
117.07003	16.7
119.08578	26.6
121.06510	7.3
121.10141	33.9
123.04404	1.5
123.08081	9.5
123.11734	3.5
125.09646	4.4
129.06985	8.0
131.08560	12.4
133.06476	1.8
133.10126	17.8
134.10466	1.9
135.08025	4.3
135.11693	35.9
137.09644	6.1
141.09117	4.4
143.08575	7.1
145.06444	1.6
145.10126	18.0
146.10417	1.7
147.08049	4.7
147.11684	10.9
149.09627	3.6
149.13248	10.5
151.11208	14.0
153.12694	2.3
155.08502	1.8
157.10117	4.4
159.11700	7.3
161.09579	2.2
161.13264	15.1
163.11183	20.9
163.14818	2.9
167.10646	3.1
171.11674	3.4
173.09625	3.1
173.13232	2.5
175.14796	2.4
177.12753	5.7
179.14304	100.0
181.12228	2.4
183.11743	2.1
185.13321	4.0
189.12791	2.2
191.10722	2.1
193.12312	2.1
195.11734	1.4
195.13678	3.3
207.13708	1.6
209.11749	3.1
221.15428	4.0
225.16513	1.8
227.12769	3.8
235.16931	5.6
241.19481	3.0
259.20563	5.6
267.15866	1.7
273.18515	1.8
275.20087	3.4
277.21606	58.4
278.21936	2.4
291.19626	5.0
295.22644	4.2
351.25204	2.3
467.31451	2.5
527.37592	1.7
541.35034	9.7
559.36505	46.2
560.36487	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	559.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.6
53.03947	5.4
55.01875	9.8
55.05245	1.6
55.05510	26.5
57.03442	5.5
57.07064	3.3
57.07323	0.7
57.75171	0.8
59.04988	2.9
65.03928	3.5
67.05505	54.2
69.03407	1.6
69.07068	13.9
69.08137	1.3
69.08547	5.1
71.01341	1.4
71.04990	4.7
71.08241	1.6
71.08633	31.9
79.05494	57.3
80.05820	1.0
81.03421	13.8
81.07056	56.6
82.07391	0.7
83.01336	5.5
83.04982	15.6
83.08158	0.8
83.08622	13.9
85.02891	1.8
85.06538	2.7
91.05482	46.2
93.07044	68.2
94.07367	1.3
95.04974	14.4
95.08607	35.6
96.08884	1.0
97.02864	1.6
97.06525	11.3
97.10168	3.2
98.22551	1.4
99.04472	1.1
99.08091	22.4
103.05474	0.9
105.04512	2.2
105.07029	29.9
107.04959	13.7
107.08595	36.0
108.08897	1.3
109.06496	6.7
109.10151	12.2
111.04431	1.0
111.08080	3.9
111.11655	0.8
113.09633	2.7
115.05450	1.7
116.06199	0.7
117.07013	11.9
119.08575	22.3
121.06522	4.3
121.10144	27.5
122.10452	0.9
123.08057	7.0
123.11691	1.7
125.05969	1.0
125.09626	1.4
127.11159	0.9
128.06178	1.5
129.07016	4.8
130.07774	1.3
131.08566	7.7
133.06554	0.7
133.10127	13.2
135.08041	1.8
135.11694	34.7
136.11990	1.0
137.09595	3.0
137.13269	0.8
139.07558	0.8
139.11166	1.0
141.09084	3.8
143.08560	3.6
145.10126	14.6
147.08023	1.7
147.11685	7.8
149.09543	1.4
149.13237	8.6
151.11191	12.4
153.09105	1.3
153.12706	2.3
157.10123	2.7
159.11684	4.1
161.09567	0.9
161.13283	11.8
163.11192	16.7
163.14818	1.7
165.12735	1.3
167.10645	1.9
171.11679	3.1
173.09615	1.5
173.13289	1.9
175.14856	1.8
177.12738	4.2
179.14310	100.0
180.14632	3.6
181.12222	2.5
185.13248	2.0
189.12662	3.6
191.10654	1.1
193.12260	1.2
193.15883	0.9
195.13776	2.4
199.14792	1.4
203.14297	1.2
207.13695	1.9
207.17526	0.9
209.11751	2.2
209.15318	0.9
213.16449	1.1
221.15344	3.0
235.16893	3.9
239.05760	0.8
241.19461	1.3
259.20587	3.9
265.14481	1.4
277.21625	58.9
278.21988	3.1
281.17526	1.0
283.15363	1.1
295.22726	4.0
335.25870	1.2
351.25281	1.6
424.53421	0.8
428.90729	0.8
541.36896	1.1
559.36176	40.5
560.36731	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	559.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.4
53.03944	10.8
55.01872	3.4
55.05513	31.1
57.03430	11.5
57.07064	4.6
61.17913	2.8
64.37452	2.5
65.03950	6.4
67.05506	96.9
69.03427	3.2
69.07066	25.9
71.04981	4.9
75.57034	2.5
77.23051	2.2
79.05493	100.0
81.03409	9.1
81.07058	93.2
83.04978	11.9
83.08614	13.6
85.06544	4.6
90.45289	2.4
91.05481	73.0
93.07042	95.4
94.07361	3.0
95.04964	18.3
95.08607	59.5
97.06528	6.9
97.10191	3.6
105.04508	6.5
105.06378	4.3
105.07031	52.6
107.04942	7.5
107.08586	38.6
109.06525	9.1
109.10144	21.4
111.08073	3.5
117.07007	16.4
119.08582	28.4
121.06504	5.2
121.10178	21.7
123.08060	7.8
123.11702	8.3
128.06171	2.9
129.07014	18.4
131.08589	21.1
133.10120	19.1
135.11671	15.4
143.08531	14.2
145.10098	17.9
147.11678	39.1
149.09654	3.1
149.13284	4.2
157.10178	2.8
159.11708	11.3
161.13249	15.2
163.11163	2.9
163.14778	2.9
171.11678	23.6
172.12041	3.5
173.13225	8.5
175.14833	4.0
187.14816	4.6
189.12784	10.3
193.10204	2.5
195.11670	3.0
207.13852	24.3
207.23360	2.4
223.13254	2.8
225.14951	3.6
256.26389	3.6
261.22025	9.4
279.15973	5.0
281.17471	38.3
312.04163	2.6
317.24832	3.3
335.25824	53.1
336.26141	3.8
379.97128	3.5
449.34503	4.6
485.36215	4.7
541.31036	5.1
541.38892	79.6
542.38867	8.4
559.40021	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.2
55.01874	11.5
55.05511	28.6
57.03445	17.8
67.05502	41.2
69.03416	4.2
69.07070	12.8
69.39759	3.6
69.68702	3.3
69.98103	5.8
71.04982	5.8
71.08625	3.3
79.05500	45.8
81.03419	80.5
81.07066	37.5
83.04982	24.6
83.08619	28.7
85.02930	8.2
86.09709	5.3
91.05471	47.7
93.07046	34.5
94.07399	3.6
95.04961	24.5
95.08604	22.2
97.06522	21.5
97.10163	9.3
99.04441	5.0
105.07040	33.0
107.04970	19.9
107.08610	28.3
109.06534	6.3
109.10171	9.4
111.04438	6.3
117.07026	17.5
119.08571	26.3
121.06516	7.2
121.10164	13.7
123.08093	9.9
125.09637	14.2
129.07022	15.2
131.08591	15.2
133.06506	6.8
133.10158	19.5
135.08084	8.4
135.11700	11.8
137.06035	4.5
137.09627	6.3
143.08537	5.2
145.10118	17.1
147.08067	9.0
147.11707	6.3
149.09683	8.3
157.10144	6.6
161.06041	4.2
163.11203	19.5
165.12843	5.8
173.09598	5.4
175.11079	4.9
181.12123	5.1
184.07346	14.1
189.11221	5.2
193.12283	18.5
209.11873	5.1
216.00696	3.8
227.12860	9.5
267.15933	59.8
283.15378	60.6
289.14426	4.7
356.15524	4.9
365.21024	4.2
383.22092	28.6
401.23315	12.0
457.25919	35.1
457.31790	6.8
475.26947	100.0
476.27139	6.3
493.27924	8.9
525.28015	5.0
560.36499	7.6
561.30255	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	560.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99794	0.8
55.05514	7.2
57.03433	5.2
57.07077	24.5
59.05000	2.2
65.03936	1.4
67.05507	58.6
68.05831	1.0
69.07071	8.5
70.79356	1.3
70.79697	1.7
71.04991	19.6
71.08636	19.5
73.91761	0.8
79.05495	6.8
81.07061	16.9
83.04987	1.7
83.08623	9.5
85.06544	2.3
85.10186	10.0
87.04433	0.8
91.05472	8.5
93.07052	9.6
93.82600	0.8
95.05002	1.9
95.08608	20.7
97.06551	1.8
97.10175	3.4
99.08080	1.5
99.11827	1.0
100.34064	0.8
105.07074	1.9
107.08601	5.1
109.10155	44.4
110.10501	1.4
111.08105	1.7
117.07043	1.7
119.08590	5.7
121.10170	2.0
123.11727	2.6
127.06872	0.8
135.11693	7.1
137.09618	7.9
140.58731	0.8
141.76085	0.7
145.10132	1.0
155.10677	3.0
163.11160	2.4
169.12262	1.7
173.11751	5.5
181.12282	1.3
187.13245	1.4
229.33078	0.9
239.23781	2.6
240.42636	0.8
243.16084	1.0
255.16078	4.0
287.18539	23.6
304.35275	0.8
313.27396	26.0
314.27728	2.0
411.32343	0.8
456.42899	1.0
467.37314	100.0
468.37714	9.5
481.38693	3.3
493.38718	3.9
525.41516	35.7
526.41656	3.4
561.41614	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01859	1.6
55.05507	2.0
57.03435	2.4
61.02921	1.9
67.05503	2.7
69.03431	3.5
69.07073	3.1
70.49846	1.6
70.50179	0.7
73.02895	1.0
76.05840	0.7
76.77550	0.7
79.05511	3.9
81.03418	2.8
81.07052	3.8
82.00128	0.7
83.04961	0.9
83.08623	0.9
85.02909	10.4
85.06554	0.8
91.05495	3.1
92.02631	2.1
93.03409	2.8
93.07047	1.3
95.04987	1.2
95.08606	2.0
95.36684	0.7
97.02885	4.0
97.06535	4.3
97.10162	0.7
99.04440	0.8
105.07028	2.2
107.08617	1.1
109.02865	0.8
109.06493	1.0
109.10139	1.2
119.08564	1.6
121.02885	2.2
121.06529	1.0
124.07595	6.9
127.03877	1.3
129.07016	1.1
131.08574	1.3
133.10146	1.6
135.11726	1.1
145.05005	1.9
145.10135	1.1
153.01828	12.8
157.10106	1.1
163.11208	1.0
165.02017	0.8
165.12729	0.7
179.03387	2.2
189.05530	1.1
203.03409	2.0
217.04961	7.2
228.04214	2.8
229.05005	4.0
231.02777	1.2
236.14989	3.0
245.04468	8.3
246.05252	2.6
257.04483	1.7
273.03949	13.8
274.04715	6.8
285.04001	2.2
301.03442	3.9
302.04205	44.1
303.04913	11.2
313.03506	1.3
326.45084	0.9
329.30652	0.9
339.05243	1.7
363.21616	1.2
376.05780	1.2
381.09750	2.2
399.10751	100.0
400.11044	6.8
561.19037	9.3
561.30548	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01867	2.8
55.05514	2.7
57.03437	2.5
57.32822	1.3
61.02932	2.1
67.05490	3.5
68.99812	3.5
69.03423	6.1
69.07098	2.1
70.54242	2.5
73.02965	1.5
79.05500	3.3
81.03430	4.1
81.07036	2.1
83.04967	1.4
85.02911	13.4
91.05492	1.6
91.77059	1.3
93.07092	1.9
97.02911	5.5
97.06548	4.3
99.04501	2.0
107.08542	1.5
109.02951	2.6
121.02917	2.6
127.03923	3.0
137.02411	2.1
139.03857	2.1
147.04457	3.4
149.01122	1.7
153.01833	55.4
153.06934	1.7
154.02242	1.7
161.05963	1.9
165.01892	5.1
171.08037	1.5
173.06090	2.2
181.06534	2.2
199.07622	4.8
201.05640	1.8
201.09154	2.4
203.03377	1.7
215.07104	3.5
227.03423	2.0
227.07092	6.0
229.08650	2.6
236.15028	3.0
241.08562	2.2
255.06471	8.2
261.86990	1.6
269.04630	3.5
269.07950	1.7
273.04962	1.3
273.07513	9.8
279.06671	1.7
285.04044	2.2
297.04083	3.3
297.07605	1.7
299.05624	2.2
299.09097	1.8
301.03741	2.1
307.09644	2.7
309.07513	3.2
311.05655	3.1
313.03528	5.6
327.05014	5.0
335.09009	3.1
337.07150	3.6
339.05038	5.1
341.07101	1.6
353.10306	5.8
355.08121	11.0
363.08844	3.4
366.07211	2.1
380.19836	1.6
381.09689	100.0
382.10205	4.9
398.21121	2.5
399.10782	58.1
399.27429	4.9
400.11072	2.1
424.18723	13.4
501.11652	4.8
519.13086	2.3
560.31921	1.9
561.19464	58.0
561.33252	11.0
562.19824	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	561.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
59.45102	0.3
64.63998	0.3
67.05468	1.4
67.05799	0.4
69.03400	1.2
69.07043	1.1
71.29429	0.5
71.88911	0.4
74.58525	0.4
79.05479	0.8
81.03407	0.8
81.07039	0.6
83.04955	0.4
85.02920	2.0
91.05450	0.6
93.07018	0.8
94.06566	2.0
95.04973	0.8
97.02898	1.0
97.06518	1.4
119.04948	0.4
119.08617	0.4
121.02829	0.8
122.06012	1.8
123.04506	0.6
124.07560	1.2
133.10204	0.5
135.08022	0.5
136.07574	0.7
136.61412	0.4
137.05969	0.5
138.09111	0.5
140.07037	1.4
147.04379	0.8
153.01834	5.1
165.18161	0.4
175.03902	0.4
180.10170	0.5
186.07893	2.0
189.09117	0.6
197.10689	1.4
198.11502	0.8
199.08725	0.5
199.12317	1.4
211.08659	1.5
213.10237	0.5
213.13840	1.0
225.10249	13.0
226.11008	11.8
227.11424	0.5
229.08607	0.5
236.14891	0.5
239.11827	1.1
240.12544	1.3
241.13359	9.2
244.08359	1.2
245.09129	1.4
255.06519	0.5
258.13644	1.3
259.14447	3.7
269.09277	0.8
270.09879	1.0
271.10577	0.5
273.03653	0.4
273.07690	0.9
284.11536	6.9
285.12338	100.0
286.12601	4.1
287.10284	1.0
299.05576	0.8
313.03439	1.8
327.05249	0.6
355.08243	2.0
362.14975	0.6
365.17444	0.5
378.18240	0.7
380.19690	1.5
381.09769	1.1
381.18500	0.4
391.15466	0.7
396.19321	0.4
398.20712	3.3
399.10803	8.0
399.27158	1.2
400.11191	0.6
404.14914	0.5
405.06061	1.2
406.17566	2.6
422.20840	0.7
424.18661	76.8
425.18906	5.3
500.56827	0.5
501.11954	0.9
519.12762	0.8
543.26202	1.2
561.19220	18.2
561.27240	23.2
562.20557	2.2
562.27515	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	561.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31860	2.5
50.44849	2.7
52.62431	2.5
53.03956	7.6
55.01878	11.6
55.05517	52.5
57.03442	10.9
57.07069	5.5
65.03945	5.3
67.05507	85.5
68.05853	3.8
69.03429	6.0
69.07072	29.4
71.04997	6.7
71.08674	4.4
75.80198	2.4
79.05497	72.9
81.03424	10.4
81.06583	5.5
81.07061	100.0
82.07389	2.5
83.04990	18.4
83.08623	27.1
85.06556	3.8
91.05483	59.3
91.06012	4.5
91.50991	2.4
93.07049	67.1
95.04993	16.7
95.08611	51.5
97.06538	10.7
97.10174	31.0
99.08122	2.7
103.05484	4.0
105.07040	48.8
105.07745	3.0
107.04980	7.7
107.07897	2.0
107.08601	47.3
108.99213	2.7
109.06512	5.2
109.10158	38.7
111.04465	8.6
111.08092	9.0
112.36888	2.6
115.05442	4.3
117.07020	19.8
119.08591	43.2
121.06544	6.9
121.10123	24.0
123.04488	2.9
123.08121	5.0
123.11735	11.9
125.09653	22.5
128.06322	3.5
129.07007	11.6
131.08574	36.9
133.10118	40.1
135.08081	10.4
135.11674	15.0
137.09669	4.3
137.13239	2.9
137.60753	2.9
141.06992	2.7
142.07899	3.1
143.08577	13.5
143.10692	2.7
145.06505	3.2
145.10123	34.5
147.08105	3.3
147.11696	20.1
149.09651	8.5
149.13295	9.7
151.11206	7.3
153.12747	6.7
154.07837	3.7
155.08539	5.6
156.63554	3.2
157.10179	8.9
159.11699	20.1
161.13283	15.4
163.11215	16.9
163.15012	3.6
167.08604	2.6
169.10162	5.4
171.11717	8.2
173.09680	6.2
173.13281	11.4
175.11241	3.6
175.14815	4.0
181.10074	3.5
181.12216	4.4
183.11708	9.0
185.13254	7.0
187.14911	8.0
189.11169	17.1
191.10666	4.7
193.12315	4.0
195.11821	2.9
197.13393	4.4
199.14847	4.9
200.26042	2.8
201.16411	4.9
209.11729	6.0
211.13214	2.9
227.12769	38.0
231.21181	3.0
241.19554	5.1
245.13913	3.2
253.14299	4.4
259.20560	12.7
261.22125	14.9
275.20215	4.9
277.21655	5.7
279.23431	4.9
283.15341	15.3
285.16809	3.4
299.23694	21.7
317.24658	16.7
333.24146	6.9
335.25818	10.8
357.23685	3.0
433.30756	5.0
451.32306	13.6
469.33224	17.2
487.33899	9.5
515.37494	6.0
525.35748	16.5
533.37885	3.8
543.36761	87.6
544.36804	11.0
561.37860	60.3
562.38495	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	561.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.5
53.03949	6.9
55.01872	13.2
55.05513	66.3
57.03444	12.9
57.07083	4.8
59.05002	3.4
64.56468	1.0
65.03950	6.1
65.55281	0.9
67.05506	96.2
68.05806	1.3
69.03429	7.5
69.07069	31.8
69.55048	2.6
69.55453	3.3
71.01340	2.0
71.04993	6.4
71.08622	2.1
77.03928	1.4
79.05495	83.9
81.03417	19.0
81.07059	100.0
82.07387	3.2
83.01334	5.0
83.04990	22.0
83.08620	39.7
83.09119	2.0
85.02912	4.7
85.06554	4.0
91.05483	67.0
93.07046	73.6
94.07388	3.5
95.01663	1.3
95.04982	15.6
95.08608	60.7
96.08978	1.4
97.02908	3.2
97.06543	11.7
97.10172	47.3
99.04432	1.8
99.08118	3.4
101.06062	1.2
103.05505	2.8
105.04530	3.2
105.07036	63.5
106.07352	2.3
107.04965	9.2
107.08598	56.8
108.08901	1.2
109.06494	7.5
109.10161	37.1
111.04440	10.5
111.08076	9.2
115.05473	3.1
116.06374	1.4
117.07024	30.2
118.10095	1.1
119.08586	46.9
120.08928	2.1
121.06512	6.9
121.10146	31.8
123.08095	7.4
123.11708	15.5
125.06010	2.2
125.09633	37.4
125.10545	2.0
128.06248	4.4
129.05504	1.7
129.07005	14.3
130.07808	3.9
131.08577	40.7
133.06451	2.4
133.10135	34.4
135.08054	9.2
135.11691	31.2
135.12685	2.2
137.09634	5.5
137.13272	4.3
139.11267	1.2
141.06996	3.5
142.07794	3.1
143.08588	14.9
143.10678	1.8
144.09303	1.7
145.06458	2.9
145.10126	41.0
145.11267	2.1
146.10602	1.2
147.08089	4.6
147.11684	24.2
147.12755	1.9
149.09616	6.2
149.13263	10.3
150.22716	1.0
151.11237	2.5
153.09129	4.7
153.12726	9.2
154.07780	1.3
155.08572	7.8
156.09326	1.2
157.10144	14.9
159.08096	4.1
159.11687	25.4
161.09697	3.0
161.13243	13.7
163.11185	19.2
163.14816	5.0
165.12770	1.0
167.08615	2.9
169.10126	8.2
170.10869	1.1
171.08070	2.3
171.10320	1.9
171.11674	11.6
173.09651	5.1
173.11809	1.3
173.13245	17.2
175.11224	3.3
175.14806	7.0
177.12770	2.8
177.16425	1.7
181.10141	2.5
181.12263	9.2
183.11707	8.9
185.13281	8.8
187.14819	10.0
189.11235	26.1
189.12741	1.9
189.16338	1.4
191.10616	6.2
193.12251	5.9
195.11713	3.8
195.13684	1.2
197.13269	5.1
199.11145	1.2
199.14784	6.7
200.15543	1.0
201.12761	1.9
201.16455	4.5
202.16704	1.3
203.14368	1.9
207.11736	1.6
209.11757	3.5
209.13438	2.4
211.13344	4.4
211.15063	2.6
213.12756	1.3
213.16304	2.3
215.14343	1.8
215.17993	2.0
221.13255	1.3
223.14937	3.5
225.16498	2.6
227.12770	48.5
228.13173	1.9
233.15413	1.1
241.19568	3.3
243.21127	4.4
245.13814	7.0
259.20560	7.5
261.19171	1.4
261.22128	25.1
261.24664	1.6
262.22473	1.9
267.15903	2.4
271.20612	1.8
271.24152	1.9
273.22150	5.2
275.20221	1.9
277.21689	4.6
279.23309	4.4
281.22653	2.7
283.15405	23.1
283.20554	2.8
285.16928	2.5
289.21774	1.9
289.24979	1.4
293.21130	2.2
297.22067	1.2
299.23691	27.1
300.23969	1.7
301.21649	6.2
313.21741	1.5
315.23312	4.5
317.24716	20.2
325.21750	1.2
327.23264	1.5
329.24704	1.7
333.24152	4.8
335.25839	16.3
336.26218	1.8
355.26373	2.4
356.90466	1.0
357.24414	1.7
369.24115	1.3
373.27371	3.5
391.28583	1.8
405.31491	1.4
415.29877	2.8
423.32709	4.2
433.30923	7.9
441.33658	2.3
451.32123	17.5
469.33157	18.4
470.33521	2.6
487.34277	14.8
488.34558	1.6
507.35049	1.4
515.37439	6.2
517.35327	2.5
525.35742	19.8
526.36395	2.0
533.38458	1.6
543.36792	88.5
544.36920	12.0
561.37878	49.6
562.38135	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.0
51.69083	1.1
53.03945	6.2
53.76571	1.1
55.01873	14.9
55.05510	76.9
56.05838	1.4
57.03432	15.9
57.07066	4.4
59.04993	3.2
61.09427	1.1
65.03936	5.7
66.00858	1.2
67.05505	97.9
68.05824	1.6
69.03438	5.0
69.07066	32.5
71.01350	3.1
71.04990	7.4
71.08626	1.8
77.03913	1.7
79.05492	88.0
80.05838	1.5
81.02972	2.3
81.03413	20.7
81.07053	100.0
82.07352	1.9
83.01329	4.5
83.04984	17.9
83.08616	37.5
85.02916	3.6
85.06541	5.1
90.36876	1.2
91.05478	63.2
93.07040	81.3
93.28085	1.3
94.07397	2.7
95.04966	19.8
95.08604	70.3
96.69449	1.2
97.02900	3.2
97.06517	9.9
97.10168	48.9
98.23353	2.9
99.04463	1.8
99.08082	2.4
103.05493	2.3
105.04519	3.2
105.07033	60.3
106.07377	1.3
107.04983	9.8
107.08592	66.4
109.06525	8.3
109.10157	40.1
109.10909	2.1
111.04443	11.3
111.08095	10.3
115.05451	4.6
116.06195	1.7
117.07011	30.6
119.06114	1.4
119.08582	50.2
121.06532	6.1
121.10136	32.0
123.08076	8.3
123.11712	15.2
125.06002	1.8
125.09631	36.9
128.06209	2.6
129.07002	16.1
130.07751	2.9
131.08572	42.1
133.06528	3.2
133.10117	35.0
135.08029	11.1
135.11696	33.0
137.09653	4.1
137.13333	3.4
139.07576	1.6
139.11186	1.7
141.06998	4.7
142.07777	3.1
143.08563	18.9
145.06505	4.6
145.10120	40.9
146.10411	1.4
147.08070	5.4
147.11681	22.3
149.09624	5.9
149.13252	12.5
151.11179	2.2
153.09158	4.1
153.12759	10.5
155.08585	7.8
156.09344	2.5
157.10124	15.9
159.08102	4.0
159.11693	24.9
161.09639	4.0
161.13239	13.2
163.11188	20.3
163.14833	5.4
166.07928	1.4
167.08572	3.5
169.10110	7.3
171.10265	3.0
171.11647	13.1
173.09644	4.8
173.11848	2.6
173.13245	17.3
175.11215	3.8
175.14821	8.9
177.12817	3.3
181.10231	3.2
181.12251	11.1
183.11752	7.6
185.09666	1.6
185.13228	11.0
187.11218	2.1
187.13277	1.8
187.14804	10.9
189.11221	24.2
189.12746	2.1
189.16458	2.4
191.10606	7.5
191.14397	1.5
193.12315	5.2
195.11719	2.6
197.13297	6.6
199.14833	7.7
201.12808	2.0
201.16417	5.2
207.11761	1.9
209.11731	7.3
209.13455	1.9
211.13293	3.6
211.15012	2.4
213.16437	2.2
215.14180	1.6
221.13171	1.5
225.16379	2.3
227.12755	47.3
228.13162	1.9
235.14876	1.7
235.16953	1.6
239.18025	1.9
241.19429	3.2
243.21089	4.5
245.13803	6.3
259.20602	8.4
261.22122	26.9
267.15918	2.6
271.24228	1.8
273.22198	4.9
275.20139	1.7
277.21841	6.8
279.23239	5.3
281.22742	2.6
283.15414	26.0
283.20370	2.5
284.15454	1.6
293.21124	2.8
297.22205	2.9
299.20337	3.0
299.23700	31.5
300.24240	2.2
301.21548	6.9
313.21786	1.6
315.23209	3.8
317.24741	21.6
319.22607	2.1
325.21692	2.2
333.24243	5.0
335.25873	17.6
345.24069	2.3
357.24271	2.9
368.51505	1.4
373.27393	2.3
375.24991	1.9
405.31631	1.9
415.29755	2.3
421.26126	1.5
423.32623	4.8
433.31033	9.2
441.33630	1.8
451.31931	15.4
452.32578	2.3
459.34683	2.1
469.33072	18.7
487.34207	15.9
488.34311	1.8
507.34689	2.1
515.37286	5.7
517.34540	2.0
525.35687	21.5
533.38629	2.3
543.36786	88.1
544.37213	12.5
561.37836	59.3
562.38422	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	561.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.4
54.38192	1.3
55.01878	10.0
55.05512	55.4
57.03446	8.7
57.07073	6.3
59.04994	3.3
63.25183	1.2
63.65636	1.3
65.03938	3.0
67.05505	61.5
69.03423	4.4
69.07066	21.7
69.36655	6.8
71.01356	1.5
71.04996	5.0
71.08639	3.9
79.05494	50.7
80.05855	1.6
81.03416	13.3
81.07055	58.3
83.04985	10.6
83.08612	24.2
85.02919	1.9
85.06552	4.0
85.10239	1.5
87.00894	1.4
88.10516	1.4
91.05482	48.1
92.05847	1.8
93.07043	49.3
95.04984	9.3
95.08609	35.0
97.02908	2.4
97.06543	7.1
97.10170	43.1
97.10775	2.7
97.88653	1.2
99.08121	3.6
103.05434	2.4
105.07036	44.5
106.07401	1.6
107.04975	6.5
107.08593	41.5
107.17260	1.4
109.06533	5.3
109.10147	19.4
111.04456	2.9
111.08105	4.6
115.05467	3.5
117.07021	23.3
119.08579	36.2
121.06508	3.0
121.10147	15.8
123.08088	5.3
123.11713	5.0
125.09634	33.2
128.06248	3.6
129.07005	10.8
130.07863	2.0
131.08571	37.3
131.09503	2.7
133.06512	4.7
133.10120	22.0
135.08069	5.7
135.11685	12.5
137.09633	3.5
137.13254	2.0
141.06998	4.0
142.07773	3.5
143.08549	17.0
143.10742	1.4
145.06503	4.4
145.10117	24.7
147.08090	3.8
147.11674	12.6
149.09622	5.5
149.13210	6.7
153.09172	2.9
153.12761	4.4
155.08598	8.2
157.10120	9.7
159.08054	3.8
159.11682	12.5
161.09618	1.7
161.13235	11.7
163.11186	6.4
163.14851	3.8
166.10504	1.4
167.08524	2.0
169.10124	6.2
171.10291	2.9
171.11714	9.6
173.09706	3.4
173.13240	16.1
175.11195	3.4
175.14864	6.2
177.12813	2.7
179.08508	1.9
181.10217	3.6
181.12137	2.3
183.11725	6.1
185.13208	7.5
187.11163	2.7
187.14786	10.7
189.11229	23.7
189.12743	2.5
189.16434	3.6
191.10614	2.6
193.12270	2.1
197.13303	3.0
199.14822	7.8
201.12881	2.1
201.16406	6.4
209.09889	1.4
209.11623	2.9
209.13382	2.8
211.14809	3.5
213.16473	3.0
215.14313	1.8
215.17993	2.0
217.16043	1.5
223.14844	2.9
225.16466	1.5
227.12747	28.0
227.14708	2.2
229.16104	2.4
229.81422	1.6
231.21275	2.0
241.19452	3.0
243.21103	4.1
245.13858	5.7
255.21085	2.3
259.20590	4.4
261.22244	4.9
271.20883	1.5
271.24023	3.0
273.22144	4.9
275.20047	1.7
277.21689	3.9
281.22717	5.3
283.15475	4.0
291.23227	2.7
293.20978	2.7
297.22214	3.2
299.20172	2.8
299.23682	24.9
300.24130	2.3
301.21555	1.6
315.23196	2.6
317.24695	17.3
325.21436	1.6
327.23016	2.1
333.24344	2.0
335.25922	4.5
345.24136	1.7
371.25534	1.7
373.27396	3.4
405.31525	1.7
415.30045	2.9
423.32788	3.5
433.30939	8.3
441.33569	2.1
451.31921	15.4
459.34863	1.8
469.33249	12.5
487.34189	15.1
507.34506	1.7
515.37360	9.7
517.35034	2.0
525.35626	15.9
526.35736	1.9
543.36780	100.0
544.37238	13.3
561.37891	48.2
562.38177	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	562.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.9
55.01876	12.5
55.05511	20.0
57.03442	11.2
57.07075	2.4
57.64710	2.0
60.65585	2.2
65.03925	3.2
67.05499	56.5
68.05833	1.9
69.02823	19.0
69.03419	21.8
69.07067	20.7
69.66949	2.4
70.00305	1.8
71.04977	8.8
79.05489	45.5
81.03414	49.4
81.06584	4.2
81.07050	66.2
81.07526	3.3
83.04975	15.0
83.08586	8.0
83.09042	2.4
85.02893	10.5
85.06538	6.1
87.24451	2.3
91.05477	65.0
93.07037	42.5
95.04962	14.3
95.08608	25.1
97.02874	8.4
97.06514	7.5
99.04447	11.0
103.05478	2.6
104.40702	2.0
105.07030	55.4
107.04959	10.2
107.08583	49.2
109.02876	30.1
109.06519	13.7
109.10149	71.4
111.04453	3.4
111.08060	5.8
113.05986	3.6
113.43400	2.2
117.07015	10.3
119.08561	16.1
121.06502	10.7
121.10163	10.2
123.04424	4.9
123.08057	7.1
123.11707	11.9
125.09595	3.5
127.03908	41.5
129.06998	5.2
131.08577	11.7
133.06482	7.8
133.10123	100.0
134.10437	2.5
135.08029	10.8
135.11665	8.0
142.07779	2.9
143.08548	8.5
145.06468	2.6
145.10103	9.7
146.07224	2.2
147.08064	5.1
147.11656	7.2
149.09566	10.3
151.11179	62.5
157.10129	5.4
159.11674	4.2
161.09593	10.7
161.13261	2.3
163.11186	5.3
169.12245	17.7
171.11711	4.8
175.11218	5.2
177.09096	4.8
179.10649	10.0
185.13184	2.5
197.11638	2.9
211.13191	2.2
214.32117	1.9
215.12753	19.2
221.11725	2.6
236.14865	3.1
239.12827	4.7
245.18889	4.3
253.14337	31.4
255.17467	3.5
263.20001	15.5
271.15329	5.8
273.18442	29.0
283.15430	4.0
291.19534	44.9
292.19736	2.9
309.20563	2.7
323.14859	24.8
333.20734	2.8
341.15924	30.2
365.23227	19.4
435.23779	30.6
436.24149	2.6
453.24829	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	562.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31520	2.2
53.03946	4.1
55.01865	12.9
55.05511	16.1
57.03432	11.6
57.98889	2.0
67.05504	53.9
69.03437	6.6
69.07071	18.0
71.04985	7.0
71.30624	3.7
79.05495	40.3
81.03423	11.1
81.07053	56.6
83.04976	11.5
83.08616	8.1
85.02901	7.5
85.06554	5.3
88.98684	2.4
91.05479	47.0
93.07043	37.6
95.04962	14.6
95.08601	19.8
97.02891	4.2
97.06539	8.8
97.10174	3.2
99.04462	3.7
105.07031	41.2
107.04955	5.2
107.08600	40.1
109.06537	11.5
109.10152	49.5
111.08107	3.0
113.05978	3.0
114.74510	2.3
117.07014	7.6
119.08569	12.7
121.06512	5.6
121.10145	7.3
123.08041	5.3
123.11700	9.2
129.07033	3.5
131.08617	12.2
133.06500	6.0
133.10127	65.7
133.11067	4.3
135.08032	7.7
135.11671	5.3
138.57542	2.4
143.08571	3.7
145.10115	9.9
147.11687	6.1
149.09630	6.6
151.11182	32.4
152.03322	2.1
159.08044	2.5
159.11755	2.7
161.09552	5.8
163.11194	6.5
165.08887	2.2
169.12248	7.6
171.11708	3.5
173.09717	2.2
173.13213	3.1
175.11273	2.8
191.10652	2.7
193.12340	3.5
209.11649	3.4
215.12700	5.7
236.14879	3.0
245.19041	3.2
253.14354	98.7
254.14674	4.5
263.20090	3.2
271.15417	17.2
273.18503	17.3
283.15314	7.3
285.16916	3.2
291.19659	15.0
292.41367	2.9
347.22202	7.7
365.23215	100.0
366.23581	7.5
563.28717	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	562.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.1
55.01866	7.3
55.05516	30.9
56.52771	2.2
56.55982	2.3
57.03429	11.5
57.15743	2.3
67.05506	33.0
69.03416	9.5
69.06759	2.6
69.07070	22.1
69.61755	6.8
69.62142	5.7
71.04980	2.9
71.65511	2.3
72.18013	2.3
72.99408	2.3
73.45830	2.3
79.05489	36.4
81.03417	29.7
81.07058	35.1
82.07382	2.9
83.04984	11.4
83.08614	14.5
85.02889	8.1
89.72543	2.9
91.05479	28.4
93.07035	27.1
94.70352	2.3
95.04978	14.5
95.08582	16.6
97.02888	10.0
97.06540	6.3
97.10172	15.0
98.22623	4.7
99.08069	2.9
105.07035	19.0
107.04951	12.5
107.08582	20.0
109.06500	5.9
109.10131	12.2
111.08053	4.1
116.26482	2.6
117.07027	6.1
119.08588	20.9
121.06477	6.0
121.10143	10.6
123.04426	2.5
123.08090	6.2
125.09635	14.0
128.06168	3.9
129.06973	5.8
131.08557	13.5
133.06459	3.6
133.10127	25.5
134.10484	7.7
135.08051	8.1
135.11668	4.2
137.09630	14.2
138.09937	6.2
142.07790	3.5
143.08446	3.2
145.10117	9.4
147.08014	7.2
147.11661	8.4
149.09584	8.0
149.13229	2.9
155.08606	3.3
157.10095	7.0
159.11624	3.2
163.03836	2.5
163.11107	8.3
175.11140	4.0
189.11220	6.6
191.14272	5.4
192.14565	5.5
193.12228	15.8
209.11732	3.0
211.13306	8.0
223.13234	14.9
227.12787	3.1
267.15863	18.8
273.18488	11.2
283.15347	14.9
285.16879	15.2
291.19519	79.7
292.19800	6.2
301.16312	3.7
365.23233	100.0
366.23477	6.8
404.92188	2.8
459.27399	5.8
474.30032	2.6
477.28265	4.7
563.27753	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	562.322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.9
53.03939	2.4
54.53389	0.7
55.01864	2.0
55.05266	1.3
55.05512	10.6
57.03422	2.5
67.05508	9.7
69.03426	5.5
69.03729	0.8
69.07072	10.1
71.04979	1.2
77.07575	0.8
79.05486	9.7
81.03413	8.7
81.07063	10.3
83.04995	2.0
83.08633	5.7
85.02905	2.9
90.54994	0.7
91.05475	7.6
92.05727	0.7
92.52884	0.7
93.07030	8.7
95.04964	6.5
95.08599	4.6
97.02880	4.8
97.06540	2.4
97.10172	6.6
99.04454	1.0
105.07027	7.7
107.04948	3.5
107.08599	5.3
109.02880	5.8
109.10166	3.2
111.08103	1.4
117.07019	4.1
119.04962	1.7
119.08575	6.8
121.06480	2.2
121.10139	2.7
123.08068	2.2
125.09616	4.5
127.03919	11.0
129.07016	2.0
131.08557	4.3
133.06465	1.6
133.10156	1.6
135.08080	1.3
135.11707	0.9
137.09596	1.2
143.08585	1.9
145.10115	3.7
147.08067	3.5
147.11652	1.0
149.09625	1.1
157.10152	1.3
159.11685	0.9
163.11125	1.2
189.11253	2.4
193.12289	1.3
223.13297	8.9
227.12819	1.0
245.19048	1.1
249.14845	2.4
255.17287	0.9
273.18475	9.1
283.15289	2.1
285.16989	0.9
290.78622	0.9
291.19531	100.0
292.19861	5.6
347.05640	0.9
363.21649	1.0
365.23215	9.8
366.23279	0.8
367.62747	0.8
399.21774	1.1
417.22650	2.2
435.23880	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	562.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
53.16773	1.0
55.01874	10.3
55.05508	8.4
57.03192	1.0
57.03434	6.4
58.40522	1.2
65.03949	1.8
67.05508	26.8
69.03432	1.4
69.07063	6.4
69.17301	2.5
69.17708	7.2
70.06570	1.5
71.04994	3.6
79.05495	14.8
81.03410	4.7
81.07066	15.1
83.04979	28.1
83.08624	5.0
85.02900	3.7
85.06540	2.2
86.46373	1.2
91.05490	10.5
93.07045	19.8
95.04960	5.2
95.08610	6.7
95.70705	1.2
97.06528	8.7
99.04453	4.4
99.08099	3.2
105.07027	5.5
107.04972	4.9
107.08595	14.2
109.06516	3.2
109.10160	12.1
111.04444	57.4
111.08088	18.7
112.04758	1.4
114.38867	1.2
117.07059	6.4
118.99033	1.3
119.08602	10.0
121.06548	3.9
121.10139	16.7
125.06010	2.1
125.09667	1.5
129.06970	2.5
131.08586	6.3
133.10106	3.4
135.08061	2.9
135.11703	22.8
137.09608	1.5
145.10106	14.7
147.08064	2.4
147.11714	3.5
149.09602	8.2
153.12749	27.3
155.08546	2.0
163.11185	41.0
164.11533	1.5
173.09637	9.9
181.12233	42.3
191.10666	30.7
192.11122	2.1
209.11725	14.8
227.12781	45.1
228.13181	1.3
257.30063	1.1
264.94217	1.1
267.16046	1.5
267.48001	1.2
273.18195	1.2
283.15402	100.0
284.15726	4.5
285.16855	1.3
291.19458	3.6
301.16483	45.2
302.16721	1.6
365.23303	3.8
491.26520	4.5
509.27454	53.2
510.27707	4.4
527.28552	21.7
528.27808	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2464
Annotation	(2'S,3'R,4'S,7'R,9R,10S)-7'-Deoxo-2'-deoxy-2',3':9,10-diepoxy-9,10-dihydro-4'-hydroxy-7'-[(1R)-1-hydroxyethyl]verrucarin A
Peak:m/z	Relative Intensity
50.97937	0.6
53.03928	0.8
55.01888	1.3
55.05492	2.5
57.03436	1.7
67.05501	4.4
69.07042	2.1
79.05508	4.4
81.03394	2.8
81.07059	5.7
83.04971	1.6
83.08601	1.8
84.60497	0.6
85.02885	1.0
91.05483	5.0
93.07041	4.1
95.04956	1.9
95.08592	2.2
97.02875	1.0
97.06525	1.7
97.10154	1.2
99.00813	1.2
102.55151	0.7
105.07016	4.4
107.04936	1.4
107.08566	2.3
109.06508	1.6
109.10162	1.9
117.06981	2.0
119.08545	2.6
121.06478	0.9
121.10102	1.5
121.95941	0.6
123.08043	0.7
131.08571	1.4
133.10146	4.0
135.08037	1.3
143.08505	1.0
145.10100	1.5
151.11163	0.7
155.16415	0.8
161.09613	2.8
163.11153	0.8
215.06883	0.8
250.61986	0.9
265.10522	7.3
283.15253	1.6
284.15698	0.9
299.14816	2.1
321.13055	10.8
336.73514	0.6
355.15158	0.9
389.93344	0.8
460.26251	0.8
478.27689	0.7
531.25226	1.9
563.24359	100.0
564.24896	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	563.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27305	0.6
53.03943	1.0
55.01868	1.8
55.05500	3.0
57.03427	1.5
67.05501	5.7
68.05836	0.6
69.03424	1.0
69.07047	1.9
79.05487	6.1
81.03401	2.4
81.07063	6.7
83.01302	0.7
83.04965	2.0
83.08601	1.4
85.02917	1.1
85.06520	0.9
91.05479	6.4
93.07043	6.0
95.04990	1.8
95.08608	3.4
97.06503	1.1
105.07027	3.3
107.04957	1.6
107.08581	3.1
109.06510	1.7
109.10183	1.8
111.04402	1.2
117.07008	2.6
119.08564	3.0
121.06496	1.2
121.10128	2.3
123.08067	1.7
131.08551	2.0
133.10127	2.8
135.08066	2.3
135.11690	1.6
143.08461	1.0
145.10139	2.9
147.08086	1.1
147.11649	0.8
155.08514	1.2
157.10098	1.2
159.11661	0.9
163.11185	1.7
235.78897	0.7
255.12323	0.7
273.18567	0.7
281.13602	17.1
291.19467	2.1
305.13373	1.1
337.16171	8.9
338.16501	1.0
393.72119	0.7
531.26129	1.0
563.28119	100.0
564.28412	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	564.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	4.8
55.05514	6.6
57.03430	4.7
58.06612	2.7
67.05503	17.2
69.03429	5.7
69.07068	19.4
69.35476	17.5
79.05505	22.2
81.03401	6.6
81.07067	10.6
83.04995	11.2
85.02924	3.1
88.96298	3.1
91.05500	8.2
93.07048	7.8
95.04971	20.2
95.08617	4.4
97.02925	3.3
97.06536	100.0
105.07030	7.4
107.08594	4.5
109.06521	3.2
109.39727	2.8
111.04481	3.9
115.05436	3.4
117.07017	2.9
123.04418	4.5
124.07611	7.5
129.06978	4.7
131.08635	4.8
135.08051	3.4
143.08528	3.6
145.06506	3.4
145.90326	3.0
160.05249	3.9
161.05978	7.6
163.03925	10.8
167.08595	4.2
169.10025	3.2
171.08165	3.7
173.06059	3.1
182.09357	2.9
185.09634	4.2
189.09114	9.4
195.08171	5.4
199.07521	7.0
201.09238	4.8
213.09149	8.2
214.06300	9.8
215.06990	7.0
231.10117	4.3
236.14943	11.9
240.07948	3.1
241.08623	6.8
255.74210	3.7
257.11792	2.9
258.08868	5.1
259.09796	18.7
275.19934	3.5
287.09210	3.3
311.12784	33.0
313.14383	3.4
324.35422	3.9
327.15936	9.8
337.14380	12.2
349.23465	3.4
355.15378	89.2
356.15720	4.0
373.16479	20.3
475.27213	3.7
510.34280	6.1
564.32373	4.9
565.26001	15.4
579.02588	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	564.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	7.8
55.01868	19.3
55.05508	22.7
55.37367	5.8
57.03434	17.4
65.03960	7.7
67.05507	77.4
69.03413	12.5
69.07083	38.0
79.05495	61.0
81.03417	16.9
81.07056	100.0
82.04695	6.0
82.70985	6.1
83.04971	14.0
83.08622	21.9
85.02901	9.9
91.05492	58.4
93.07037	59.4
95.04940	17.7
95.08632	39.0
97.02893	6.4
97.06529	50.4
97.10193	14.4
97.46477	6.0
98.22574	14.6
99.08058	6.7
105.07031	37.6
107.04945	10.7
107.08602	37.1
109.02921	7.0
109.06474	7.8
109.10167	11.3
111.08129	7.4
117.07031	22.6
119.08589	29.8
121.10150	28.8
131.08553	20.1
133.10139	26.4
135.08054	10.3
135.11685	22.1
145.10065	14.4
147.11649	11.9
149.09538	8.3
149.13197	11.2
157.10181	7.9
159.11668	18.7
163.11163	16.2
177.12755	22.8
179.14511	7.1
189.09154	7.3
255.15936	43.0
257.19031	6.8
259.09500	11.9
269.17474	96.7
275.20135	34.0
280.80927	7.2
337.14407	9.6
349.23856	49.8
355.15460	24.4
367.24768	17.7
373.16324	7.6
373.99149	6.4
565.25763	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	564.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30885	4.5
53.03940	14.4
53.16365	4.9
55.01866	15.5
55.05512	35.5
55.21809	4.7
57.03425	23.3
58.49394	5.4
67.05504	85.1
69.00426	39.8
69.03426	24.9
69.07061	42.1
71.04994	11.1
79.05497	77.3
81.03410	38.6
81.07056	100.0
83.04973	15.9
83.08626	24.1
85.02901	32.2
85.06549	6.7
91.05476	60.3
93.07043	77.1
95.04980	32.8
95.08599	49.4
97.02883	14.2
97.06526	49.3
97.10149	12.2
99.04469	8.8
99.08042	5.0
103.03963	15.6
105.07024	47.8
107.04957	22.1
107.08598	38.3
109.02859	23.3
109.06514	13.8
109.10163	20.3
111.04430	8.6
111.08092	10.7
117.07008	26.1
119.08570	37.4
121.06465	14.1
121.10145	18.4
123.04440	5.0
123.08051	10.7
125.09647	9.8
127.03938	34.6
129.06996	11.4
131.08565	28.8
133.10143	34.4
135.08067	7.7
135.11705	39.3
137.09598	8.1
145.06409	8.4
145.10130	21.1
147.11635	13.9
149.05945	6.4
149.09602	20.9
149.13237	18.3
151.11142	5.9
159.11685	20.4
161.13239	7.0
163.11188	16.5
169.10036	7.7
171.11623	8.9
173.13242	7.2
177.12759	15.2
181.12218	12.4
195.13747	27.2
199.13275	9.5
213.14743	5.9
255.15886	13.6
257.18988	8.2
261.14868	9.5
269.17413	13.3
275.20007	54.8
303.15842	13.8
321.16937	12.7
325.16364	10.7
337.13867	5.5
339.18011	38.4
349.23761	10.3
355.15475	16.8
419.24771	10.7
485.73953	5.7
521.85333	5.4
565.25830	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	564.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39186	0.6
57.03426	0.6
69.03430	1.2
70.06611	0.9
73.02924	0.7
73.06562	2.4
81.03411	0.9
84.12370	0.5
85.02906	0.9
87.04480	10.0
89.06035	100.0
90.06368	1.3
91.07631	1.3
93.05801	0.7
97.02907	0.7
98.23440	1.0
105.55151	0.6
107.07079	2.2
117.09189	0.9
123.04457	0.8
131.07051	4.3
133.08604	57.4
134.08937	0.9
135.10068	0.7
135.11752	0.8
147.04414	1.2
163.03874	0.7
175.09705	2.3
177.11221	17.3
221.13889	3.6
239.14848	0.6
246.81017	0.8
254.66399	0.6
265.16461	1.0
309.19168	0.9
327.20267	1.0
371.22760	0.8
503.30795	0.9
532.27661	1.5
547.33014	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	565.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.7
56.96539	1.6
58.99837	1.4
62.34988	0.6
67.05489	0.9
68.98276	0.7
69.03406	1.0
70.99843	1.2
81.03387	1.5
82.99830	1.0
83.04964	1.3
85.01366	0.7
85.02879	1.5
85.06489	0.9
86.99324	1.1
89.00867	0.9
94.99821	0.7
97.01413	0.7
97.02843	1.2
98.23372	1.1
98.97552	2.0
101.00881	11.3
103.02422	1.6
105.00318	0.9
110.97539	0.7
113.00857	6.0
115.02421	2.7
119.01921	14.3
120.02044	0.7
125.00751	0.7
127.02398	1.6
129.00293	0.6
129.03987	3.5
131.01912	21.2
131.05525	1.4
132.01994	0.9
133.03468	6.0
137.00809	2.5
137.02881	0.9
139.02373	0.7
141.03912	1.6
143.00839	0.7
143.01894	12.7
143.05533	3.9
145.03458	9.1
147.01355	1.6
147.05031	1.5
149.02913	3.1
149.06519	1.5
155.01906	17.0
155.05502	3.5
156.02641	2.5
157.03510	5.3
157.34627	0.6
159.05006	1.6
161.02972	15.0
161.06613	6.4
162.06743	0.6
163.04449	0.7
167.01950	0.7
167.05594	3.1
167.06760	0.6
169.03465	0.8
171.01382	1.0
171.05020	4.1
173.02979	12.7
173.05217	0.9
173.06589	10.4
175.04544	3.4
181.03470	4.3
183.05020	1.4
185.02951	2.4
185.06598	31.2
186.06801	1.9
187.08138	1.9
189.06133	0.9
191.07614	1.1
195.05019	2.0
197.06604	37.3
198.06766	1.9
199.04526	22.6
199.08154	9.2
200.04855	1.3
201.06029	1.1
203.04037	9.1
203.07561	4.7
205.05539	0.8
207.04997	2.1
209.06619	6.8
211.04561	5.7
211.08162	2.3
213.06088	3.5
215.07687	8.1
217.05554	2.5
217.09213	1.9
219.05124	0.8
221.05016	28.0
222.05122	1.2
223.04568	1.1
225.06027	2.1
227.07697	7.8
229.05431	1.6
237.02692	0.7
237.06133	1.1
239.05476	0.7
239.07695	9.8
241.05592	6.8
242.05769	0.7
257.08698	6.8
259.06558	1.0
269.08743	4.9
275.09772	12.4
276.09940	1.0
287.09750	100.0
288.09909	6.7
295.08786	0.6
301.04202	1.1
301.07681	18.2
302.07748	1.7
305.10797	46.3
306.11078	2.7
310.11160	0.6
319.08752	17.4
328.12500	1.1
339.71246	0.6
345.46097	0.6
403.07526	1.0
403.13959	0.8
565.19806	38.1
566.20319	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	565.404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79035	2.2
53.03933	5.7
55.05516	16.2
57.07078	5.3
60.14460	1.8
67.05508	29.0
69.03426	5.1
69.07067	13.7
78.67659	2.1
79.05495	21.5
81.03398	3.4
81.07059	34.8
83.04987	4.1
83.08607	9.5
85.02890	2.9
91.05476	34.2
92.89132	2.0
93.07044	37.5
95.04986	11.9
95.08609	30.8
97.06521	5.9
97.10180	2.1
98.22576	5.1
105.04544	2.8
105.07029	60.6
107.04964	2.3
107.08595	46.1
108.08883	1.9
109.06530	8.3
109.10158	27.9
111.08080	2.9
111.98576	1.9
115.05476	4.6
117.07005	13.8
119.08585	62.9
120.99673	1.7
121.10152	40.7
123.08099	6.3
123.11707	10.5
128.06221	9.8
129.07039	12.5
130.07788	6.4
131.08577	28.3
133.10130	71.0
134.10481	4.8
135.08073	7.7
135.11705	35.2
137.09636	11.0
139.11234	2.5
141.07013	4.7
142.07843	10.0
143.08563	23.1
144.09309	4.3
145.10117	45.2
147.08099	6.0
147.11696	15.6
149.09631	3.8
149.13338	3.9
151.11177	4.8
153.45972	2.0
154.07797	2.4
155.08549	13.9
156.09392	9.3
157.10143	32.2
158.10980	3.6
159.08104	3.6
159.11668	18.7
161.09653	4.7
161.13297	8.1
163.11194	3.7
165.07059	6.0
167.08586	9.8
168.09344	4.4
169.10114	17.3
170.10919	4.6
171.11705	23.3
173.09734	5.1
173.13242	16.5
175.11253	3.5
175.14830	18.0
178.07790	3.3
179.08553	9.9
180.09377	2.3
181.10120	12.8
182.10878	4.6
183.11693	19.9
183.28746	2.0
185.09636	5.5
185.13275	10.3
187.11177	4.2
187.14835	22.9
189.16321	3.6
191.14334	3.2
192.09424	4.2
193.10139	11.7
194.10944	6.2
195.11668	16.0
196.12502	2.9
197.09634	3.0
197.13284	13.9
199.11180	2.9
199.14824	8.2
201.16498	9.4
205.10107	4.9
206.10977	5.6
207.11703	10.1
208.12514	3.1
209.13280	14.2
211.11163	4.2
211.14853	11.4
213.12793	6.8
213.16403	8.7
217.15929	2.8
218.10970	3.6
219.11621	5.1
220.12437	3.1
221.13371	12.1
222.13942	2.2
223.11211	3.5
223.14749	13.2
225.12860	3.5
225.16405	6.7
227.14355	2.9
230.10963	3.3
232.12465	4.4
233.13283	5.1
235.14899	7.2
237.16327	6.5
239.14388	4.5
239.17911	5.3
243.11655	3.5
245.13339	4.1
246.14044	3.7
247.14896	6.6
248.15442	2.5
249.16455	5.7
251.14435	2.4
251.17943	3.8
253.19669	2.8
257.13373	2.3
258.14087	2.4
259.14807	5.9
261.16470	4.7
263.17899	4.0
265.19464	3.5
272.15762	2.5
273.16302	5.0
275.18060	2.8
277.19513	3.6
279.21039	4.0
281.18832	2.5
283.15213	2.2
285.16373	2.5
287.18069	6.4
291.17667	2.8
291.21100	2.4
305.19064	3.5
319.20587	2.5
329.22900	3.0
343.24350	3.5
347.23853	2.9
357.25943	3.5
359.23569	4.2
361.25528	4.9
409.28854	2.4
409.51486	2.7
425.28339	4.2
427.29919	13.4
428.30646	2.8
443.29727	2.8
509.34100	3.4
538.65814	2.7
547.39526	18.4
548.38892	2.6
565.40430	100.0
566.40497	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	565.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.2
55.05514	15.1
57.07085	12.3
57.80071	1.9
58.06608	2.2
65.03957	3.6
67.05506	37.3
69.03419	2.6
69.07074	24.3
69.67481	7.7
70.06590	4.5
71.08640	2.3
79.05495	23.9
81.07060	45.8
83.04979	2.9
83.08624	11.4
85.06531	3.5
91.04948	1.3
91.05486	37.5
93.07048	46.2
95.04979	6.2
95.08609	40.6
97.06516	2.2
97.10151	2.9
98.23305	2.1
103.05472	4.6
105.07037	73.7
106.45374	1.7
107.08598	56.0
107.29194	2.1
109.06480	9.6
109.10157	53.2
110.10488	2.1
111.08054	2.5
111.11726	2.2
115.05443	5.2
117.07012	19.4
119.08585	100.0
120.08897	3.5
121.06494	3.6
121.10148	72.7
122.10497	2.1
123.08076	7.3
123.11693	17.2
127.50468	1.7
128.06235	9.7
129.07027	15.2
130.07773	6.6
131.07587	2.1
131.08569	40.7
131.09506	3.4
133.10127	52.6
135.08055	9.0
135.11700	46.3
137.09654	3.6
138.77513	2.0
139.11217	2.3
141.07013	7.2
142.07787	20.3
143.08560	36.1
144.09380	4.6
145.06548	2.3
145.10133	56.9
147.08083	2.7
147.11673	26.5
149.09630	5.1
151.11137	2.8
153.06990	4.3
154.07768	2.8
155.08549	18.0
156.09401	13.3
157.10129	65.6
158.10909	4.5
159.08066	4.7
159.11693	31.8
161.09607	6.0
161.13284	12.9
163.11169	2.3
165.07042	4.3
167.08571	11.0
167.10674	12.1
168.09334	7.2
169.10124	27.6
170.10832	7.8
171.11684	33.4
172.12369	2.6
173.09694	10.1
173.13248	24.3
175.11220	6.2
175.14824	42.7
176.15131	2.0
179.08549	7.7
180.09332	6.8
181.10153	17.6
182.10928	10.2
183.11702	37.9
184.12439	2.2
185.09505	3.0
185.13200	14.4
187.11183	5.7
187.14876	13.6
189.12776	5.7
189.16435	4.1
191.14221	2.4
192.09337	3.8
193.10147	13.6
194.10912	5.9
195.11719	23.4
196.12376	4.2
197.09560	3.1
197.13239	35.7
198.13893	2.9
199.11183	12.0
199.14883	9.1
201.12714	4.7
201.16339	12.0
203.14310	3.2
205.10080	3.2
206.10933	7.2
207.11684	11.0
208.12469	7.0
209.11652	2.2
209.13290	19.4
210.13846	3.6
211.11139	5.7
211.14813	11.2
213.12755	5.6
213.16399	9.3
215.14311	5.6
215.17990	2.3
217.10135	2.6
218.10748	2.5
219.11595	4.7
220.12561	4.3
221.13275	15.4
222.13914	2.5
223.14807	18.9
224.15466	2.8
225.12729	8.0
227.17961	2.9
231.11737	4.1
232.12413	3.7
233.13258	4.8
233.15363	4.1
234.13876	2.6
235.14838	8.8
237.12772	4.3
237.16423	7.7
238.13556	2.2
238.17055	3.6
239.17885	9.3
241.15881	6.2
243.11772	3.7
245.13229	6.3
247.14767	8.2
248.15567	2.2
249.12749	2.6
249.16463	3.7
251.14355	2.9
251.17929	4.0
253.15961	2.8
253.19574	4.1
255.17310	3.1
257.13150	2.8
259.14734	3.5
261.16382	4.6
263.18018	4.4
265.15982	2.8
265.19440	3.3
267.17471	2.3
271.14978	3.6
273.15878	2.6
273.18527	47.1
275.17926	3.8
277.15988	2.4
277.19351	3.6
279.17841	1.9
279.21088	11.4
281.18842	2.5
282.27899	8.4
287.17624	2.8
287.20367	2.8
289.15982	2.3
289.19406	4.2
291.17438	3.3
291.21057	5.3
299.20114	65.4
299.30688	2.7
300.20306	5.3
303.17383	2.8
303.20914	2.9
310.31204	6.0
311.20126	2.4
313.21863	3.9
315.20880	2.2
319.24237	3.8
325.21652	2.9
327.33548	3.5
333.22205	2.6
342.26825	2.0
343.24335	2.4
345.25824	2.6
351.22952	3.9
363.23114	4.7
375.23312	2.9
389.24753	2.6
427.30331	2.2
431.29297	2.7
440.23413	2.2
443.29437	5.3
444.30081	3.4
471.32452	2.3
473.33871	10.0
485.34229	2.0
509.34320	2.2
547.39490	6.2
551.57629	2.1
565.40424	49.4
566.40417	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	565.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	5.1
55.01887	2.1
55.05511	18.8
57.07070	7.9
59.02654	1.6
59.05006	1.9
65.03950	4.1
67.05502	32.5
67.98558	1.8
69.03436	2.8
69.07079	21.3
69.49567	8.1
70.25986	1.5
71.04974	2.2
71.08629	2.0
79.05492	28.3
81.03448	2.4
81.07059	37.7
81.23575	1.5
83.04996	3.7
83.08621	11.4
85.06545	2.5
85.10194	1.7
91.05484	42.3
93.07047	40.6
95.04983	5.1
95.08611	35.9
97.06554	3.1
97.10180	2.7
98.22641	3.1
103.05494	4.0
105.07036	73.1
106.07365	1.8
107.04948	2.1
107.07874	2.2
107.08591	45.4
107.09280	2.8
109.06538	5.8
109.10155	39.7
115.05497	3.4
116.06222	2.1
117.07034	15.5
119.08585	100.0
120.08913	2.3
121.06509	3.1
121.10139	52.1
122.10490	2.8
123.08089	6.4
123.11701	15.8
128.06213	10.0
128.82942	1.5
129.07027	14.1
130.07814	3.6
131.08571	32.3
131.09506	3.0
133.06616	1.6
133.10129	48.0
134.10492	2.5
135.08086	4.5
135.11694	35.7
141.06976	8.0
142.07787	20.7
143.08572	28.1
144.09341	6.3
145.10123	52.9
147.08102	3.8
147.11691	16.9
149.09656	5.8
149.13261	3.7
151.81007	1.7
153.07033	4.0
154.07832	1.7
155.08557	16.0
156.09332	11.8
157.10133	53.4
158.10777	3.9
159.08105	7.1
159.11684	26.1
161.09618	5.9
161.13243	9.8
163.11214	3.4
165.07030	6.3
166.07784	3.0
167.08575	9.5
167.10707	6.7
168.09369	7.4
169.10146	28.0
170.10878	5.8
171.08026	2.3
171.11688	24.0
172.12329	2.4
173.09671	6.5
173.13280	18.9
173.28351	1.7
175.11214	5.2
175.14825	36.4
176.15199	2.1
177.09215	2.6
178.07816	2.2
179.08540	9.0
180.09387	5.9
181.10110	15.2
182.10933	10.3
183.11702	23.3
183.13167	2.4
184.12395	2.8
185.09641	3.1
185.13271	10.9
187.11247	2.1
187.14830	10.1
189.12762	4.9
189.16374	2.3
192.09290	3.1
193.10133	10.5
194.10855	5.3
195.11674	17.1
196.12360	2.8
197.09708	2.0
197.13260	24.5
199.11145	8.4
199.14864	6.7
201.12778	3.4
201.16403	9.0
205.10144	3.8
206.10956	6.0
207.11720	13.2
208.12453	6.3
209.09782	2.5
209.13246	13.4
210.13940	2.7
211.11183	5.6
211.14845	7.3
213.12833	4.5
213.16339	7.9
214.13322	1.6
215.14354	5.2
217.10074	2.6
218.10883	2.5
219.11781	6.4
220.12405	4.5
221.13231	10.8
222.14012	3.1
223.11198	2.2
223.14830	14.1
224.15320	3.1
225.12779	5.5
225.16405	2.2
227.14494	2.1
227.17941	2.7
230.10831	1.7
231.11734	3.7
232.12476	3.4
233.13295	5.9
233.15434	3.1
234.14029	1.9
235.14899	6.1
237.12845	2.8
237.16461	5.4
238.16957	3.1
239.14240	2.7
239.17934	7.4
241.15935	3.0
243.11678	4.0
244.12427	1.7
245.13326	3.2
246.14087	2.8
247.14825	5.9
248.15665	2.2
249.16534	2.8
251.14317	2.5
251.17995	2.4
253.16013	3.5
253.19627	3.9
257.13132	2.5
258.13940	2.8
259.14807	3.4
261.16309	4.3
263.14108	1.9
270.13596	2.3
271.14590	1.8
272.04947	1.7
273.15781	1.8
273.18555	35.6
275.17883	2.7
277.19525	2.0
279.21014	9.9
281.18994	2.8
282.28052	2.7
283.15298	6.9
285.16422	2.2
287.17935	3.3
289.19205	2.1
291.17630	2.7
291.21075	2.7
299.20108	47.8
300.20490	2.3
309.16971	3.3
313.15894	1.6
313.21719	2.2
315.21213	1.8
319.24304	3.6
325.21725	3.3
339.28918	6.2
341.26773	3.6
351.22833	1.9
363.23218	2.4
365.25012	1.8
369.24908	1.9
375.23190	2.4
389.24591	3.0
396.72751	2.1
405.27847	2.0
411.26346	2.3
413.28146	2.3
414.18610	1.7
425.28754	2.6
429.27179	2.1
431.29407	1.8
443.29404	5.8
444.29681	2.8
473.33975	11.1
547.39594	5.9
555.77869	1.8
556.68585	1.6
565.40387	46.3
566.40607	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	566.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03972	5.5
55.01860	9.9
57.03424	8.4
61.02926	13.8
63.29906	6.1
64.64185	6.7
66.12520	5.6
67.05502	25.9
67.46300	6.2
68.33928	5.6
69.03410	31.7
69.07039	7.8
69.52029	7.8
71.04977	7.2
71.30277	12.8
79.05503	19.3
80.05009	6.6
81.03419	13.7
81.07051	7.8
83.04971	6.9
85.02906	100.0
86.09721	7.6
91.03974	7.9
91.05486	25.6
95.04981	14.2
97.02903	30.7
97.06522	38.8
98.06034	5.5
105.03403	24.9
105.07029	13.6
107.04942	84.0
109.02866	9.2
111.04408	9.6
113.05974	6.5
115.03918	6.9
117.07040	21.0
119.08571	13.3
121.02889	10.7
127.03942	22.4
128.06203	8.9
129.59100	6.0
131.08588	6.6
133.10114	21.6
143.08528	12.4
145.04948	38.5
145.06482	19.7
147.04396	11.0
158.27000	7.1
161.09598	83.7
163.03914	12.4
163.06003	16.7
164.07173	6.6
171.08064	23.9
184.07375	17.3
189.09119	86.4
196.27866	6.1
207.10153	23.1
215.06995	15.2
225.11110	33.2
247.26796	6.2
259.09448	7.3
423.26541	8.8
566.31982	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	566.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	15.2
55.01866	13.5
55.05507	41.2
57.03431	22.3
61.26001	7.8
67.05500	81.7
67.24834	8.5
69.03448	21.5
69.07064	26.9
69.12211	9.0
69.69601	39.0
69.76434	8.4
71.01299	11.5
71.08636	32.7
79.05473	67.0
81.03413	33.0
81.07059	100.0
83.04987	15.6
83.08630	23.3
84.08151	12.1
85.02914	21.4
85.06561	13.9
91.05465	64.2
93.07051	94.8
95.04993	23.8
95.08618	39.2
97.02892	16.1
97.06532	28.4
97.10191	19.5
99.08099	15.6
105.07024	43.4
107.05009	10.6
107.08581	43.3
109.02874	19.5
109.10176	19.3
109.18169	9.9
111.08112	13.0
117.07045	24.2
119.08589	27.9
121.06488	15.8
121.10175	32.7
125.01594	11.2
127.03905	39.8
129.07060	12.3
131.08585	25.7
133.10114	28.0
135.11703	24.1
145.10129	16.6
149.13258	13.7
151.11211	34.5
157.10201	11.1
159.11684	25.6
161.13347	12.8
163.07643	11.3
163.11140	11.3
177.12761	16.9
179.14279	12.3
195.13843	45.0
249.14801	12.4
249.48158	9.8
259.20538	10.4
261.14981	12.1
269.17532	28.1
277.21671	31.7
285.14822	11.8
303.15857	19.0
321.17084	18.2
339.18069	48.0
351.25281	21.2
516.17108	10.7
566.27325	58.2
567.28003	84.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.3
55.01851	0.7
55.05512	0.6
56.05875	0.3
57.03439	0.6
67.05505	2.3
69.03410	0.5
69.07061	0.7
71.05019	0.4
76.04723	0.3
79.05488	1.4
81.03417	0.5
81.07048	1.6
83.04989	1.8
83.08589	0.5
85.02882	0.6
91.05469	1.2
91.56086	0.3
92.91314	0.4
93.07040	1.5
95.04954	0.6
95.08617	0.6
97.06512	1.1
99.04491	0.4
105.07034	0.9
107.04964	0.9
107.08578	1.1
109.10144	0.7
111.04452	3.1
111.08088	1.0
117.07016	0.9
119.08561	1.0
121.06541	0.4
121.10156	1.0
130.04991	0.5
130.38890	0.4
131.08603	0.5
133.10194	0.4
135.08040	0.5
135.11691	1.6
145.10123	0.8
153.12785	2.2
163.11200	2.7
173.09610	0.7
181.12238	2.7
184.07291	1.0
191.10687	1.5
198.53560	0.3
209.11722	0.4
227.12784	1.3
247.19189	0.4
251.12599	0.4
267.12045	13.0
268.12512	0.8
283.15247	0.6
285.12833	0.3
301.16418	0.6
323.14633	6.7
397.26608	0.4
406.29773	0.4
535.28632	1.0
549.26227	0.9
567.27673	100.0
568.27991	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	567.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
61.87924	0.6
67.05511	1.3
67.26099	0.5
70.45379	1.0
79.05494	0.7
81.03440	0.9
81.07077	0.9
101.16017	0.5
119.08736	0.5
119.14053	0.5
141.75897	0.5
157.04784	0.5
157.40709	0.5
178.19357	0.5
203.05324	1.8
259.07935	1.7
283.15533	0.7
313.17419	0.8
324.40634	0.6
331.10037	4.0
331.18350	0.7
331.55814	0.5
373.14682	1.2
387.16492	1.2
387.21548	1.3
405.22546	1.4
413.17902	0.7
431.08035	0.5
455.18726	1.2
469.20410	7.0
477.24643	0.6
498.20013	0.8
549.26691	32.2
550.27155	3.3
567.27716	100.0
568.28101	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	567.2772
Annotation	Ghalakinoside
Peak:m/z	Relative Intensity
50.50292	0.4
55.05528	0.4
57.03439	0.4
57.49094	0.3
57.81011	0.3
63.62850	0.3
66.92545	0.3
67.05496	1.0
69.05045	2.5
69.07063	0.3
70.20557	0.3
79.05499	0.8
80.11841	0.3
81.03417	0.7
81.07040	0.6
85.13936	0.3
91.05476	0.6
93.07056	0.5
95.04945	0.4
95.08599	0.3
109.10155	0.4
110.68328	0.3
115.03742	0.4
139.54521	0.3
159.75156	0.4
180.49875	0.3
184.07413	0.6
259.07886	1.3
331.09943	5.4
331.18329	0.5
332.10205	0.4
349.59637	0.3
373.14697	0.9
387.16193	0.7
405.22485	0.7
455.18658	1.7
456.18732	0.5
469.20441	8.7
470.20953	0.6
497.19690	0.4
498.20706	1.2
539.28601	0.5
549.26672	31.2
550.27026	2.5
567.27692	100.0
568.27985	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	567.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.3
67.05511	0.3
76.01563	0.2
77.43188	0.2
77.98256	0.2
79.05494	0.4
81.03412	0.3
81.07041	0.3
83.01110	0.5
83.04932	0.3
91.05483	0.3
93.07063	0.4
95.01074	0.4
95.04976	0.3
95.08643	0.5
105.07046	0.3
105.10042	0.2
109.10152	0.3
119.08640	0.3
185.04265	0.7
201.03818	0.5
203.05286	1.3
259.07880	1.4
283.15198	0.4
331.10049	0.9
363.21231	0.3
387.16440	0.6
397.42947	0.2
401.18076	0.3
405.22507	1.1
469.20984	0.5
485.19855	0.4
497.19366	0.3
503.56631	0.3
549.26764	0.5
567.27686	100.0
568.28040	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	567.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.5
67.05508	0.8
69.81902	1.7
79.05486	0.7
81.03386	0.6
81.07069	1.1
83.04961	0.5
91.05456	0.6
93.07069	0.5
97.06538	0.5
97.27663	0.4
98.05495	0.4
98.23310	0.5
131.08594	0.5
157.10165	0.5
185.04236	0.6
217.58900	0.4
259.07822	0.8
275.07462	0.5
279.95453	0.4
311.96350	0.4
331.10046	1.3
338.73395	0.4
342.52802	0.4
345.11682	0.5
353.69861	0.4
387.16348	1.1
388.29001	0.4
393.18860	0.4
394.67618	0.5
401.17789	0.5
405.22559	0.6
469.21207	0.5
523.38782	0.4
567.27753	100.0
568.28162	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	568.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
55.01872	2.2
55.05513	2.0
57.03436	2.1
67.05508	8.4
69.03428	5.0
69.07070	11.0
70.44368	1.5
79.05501	10.0
81.03421	3.3
81.07048	2.6
82.06555	1.0
83.04984	6.2
85.02931	1.9
89.03930	3.9
91.05474	0.9
95.04972	6.2
97.02898	5.2
97.06531	20.1
98.06036	1.1
99.04424	1.3
107.04947	1.8
108.55057	0.8
109.02994	0.9
113.05989	2.4
115.05493	0.9
117.03380	8.5
119.04958	0.9
129.06963	1.2
129.13773	0.9
131.04953	1.6
133.02806	2.1
134.03644	3.5
135.04410	12.7
141.07011	1.2
142.07793	1.3
143.04901	1.6
143.08585	1.3
145.02843	11.6
146.03432	1.0
147.04460	1.1
152.06142	0.8
156.05725	2.2
157.06502	1.4
159.04381	2.0
161.02354	2.3
162.03230	0.9
163.03909	68.4
164.04266	2.6
167.08617	3.0
170.07210	1.0
171.04367	1.4
173.02344	1.9
173.05923	1.2
183.01015	0.9
184.05193	4.7
184.07346	1.6
185.05954	1.9
185.09663	2.2
187.03874	1.4
187.53160	0.8
191.03427	1.4
195.08092	3.6
197.06006	1.1
198.06819	1.4
199.03893	3.2
206.35205	0.9
212.04761	1.3
213.09100	4.1
215.07126	1.5
217.04967	7.2
235.33006	0.8
241.08601	100.0
242.08997	5.0
259.09668	83.3
260.09995	4.6
277.10617	0.9
385.53409	1.0
403.13821	7.6
421.14853	4.1
568.27661	6.4
568.35773	1.1
569.19751	1.5
594.48181	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34241	0.3
69.01268	2.4
79.05502	0.3
81.03414	0.3
83.04996	0.4
85.02955	0.3
85.52255	0.3
91.05479	0.3
95.08629	0.4
97.06538	0.9
119.33543	0.3
159.08167	0.4
185.04185	0.4
203.05298	1.1
217.08826	0.3
234.56097	0.3
259.07816	1.4
280.98370	0.3
313.14304	0.7
331.10162	0.6
333.20215	0.4
389.23230	0.3
407.24118	1.6
457.20447	1.9
471.21893	2.4
487.21298	0.6
511.19217	0.3
535.21222	0.3
565.35571	0.3
569.29309	100.0
570.29688	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	569.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03442	0.3
53.42385	0.3
69.07088	0.4
69.97542	1.0
81.07045	0.4
92.24722	0.3
93.07063	0.3
97.06510	0.6
259.07971	0.7
331.09802	0.6
345.12048	0.3
407.24365	0.4
443.20514	0.3
457.20499	2.7
471.21927	2.2
487.21750	0.7
569.29303	100.0
570.29700	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	569.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00410	0.3
55.05514	0.4
58.06594	0.4
60.84520	0.3
66.34981	0.3
67.05497	0.6
69.19212	1.9
69.19617	0.8
79.25770	0.3
81.03460	0.4
81.07045	0.6
83.04980	0.5
91.05513	0.6
93.07030	0.5
95.08627	0.4
97.06535	1.0
108.08246	0.3
109.10307	0.3
160.55203	0.3
185.04233	0.5
252.60353	0.5
259.07843	0.5
274.76892	0.4
331.10095	0.9
407.24118	0.4
457.20337	2.3
471.21899	3.1
487.21704	1.2
488.18198	0.6
569.29285	100.0
570.29541	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	570.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.0
57.00407	1.0
59.64956	1.1
65.03945	1.1
69.03423	3.7
70.42859	2.7
71.49425	0.9
72.36727	1.0
77.71213	0.9
78.78926	0.8
79.05491	1.4
81.03401	1.0
85.02899	3.7
91.05481	9.3
93.07011	1.3
95.04977	1.2
97.02847	1.2
102.04681	2.0
103.05465	4.7
105.07025	4.2
107.04974	1.5
110.93684	0.9
114.07332	0.9
115.05438	3.2
117.07011	2.6
119.04929	11.0
121.06473	2.4
121.79581	0.9
122.03603	1.5
123.33212	0.8
127.03915	1.9
130.04152	3.1
131.04915	7.0
133.02861	5.7
133.06465	5.7
135.04420	1.6
137.05971	30.6
138.06325	1.4
143.04903	2.4
145.02812	1.4
145.04875	1.1
145.06516	3.7
147.04414	16.6
148.04723	2.6
149.05968	3.6
150.06744	3.8
151.07507	2.2
152.92809	1.0
158.03636	6.2
161.05966	9.8
162.06757	10.0
163.07484	3.1
165.05415	1.4
173.05998	13.7
175.03873	4.8
177.05548	4.5
179.07053	3.9
186.03168	3.3
187.03798	1.0
189.05481	1.2
191.06947	1.6
193.04959	1.4
201.05460	100.0
202.05835	3.1
203.07008	1.7
205.06447	4.2
213.05406	2.0
219.06502	25.3
219.08438	1.8
222.06761	2.0
231.06500	5.2
233.05998	4.4
234.06740	3.3
235.07523	1.4
237.09167	4.9
247.07539	1.4
249.05501	2.1
250.06236	4.2
251.06979	1.7
262.06210	2.4
264.07822	1.4
265.08563	9.8
266.09186	1.3
273.05539	1.2
277.08533	2.7
278.05777	3.0
282.08984	1.4
290.05728	1.4
292.07263	3.8
293.08032	9.4
294.08630	2.0
297.11102	3.8
305.08075	4.2
307.09610	8.9
322.08282	1.2
323.09094	7.8
325.10687	48.0
326.10977	3.4
337.10608	7.2
343.11703	9.3
355.11765	25.0
356.11911	1.7
399.89096	1.0
531.80646	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70355	2.4
55.01868	2.4
60.34725	2.3
69.03420	6.1
69.57850	11.3
80.05028	3.3
81.03385	2.9
83.04977	3.3
85.02902	8.6
87.77757	2.5
91.05483	22.5
95.04993	3.7
97.02889	3.7
103.05454	9.5
105.07044	7.3
107.04880	3.2
109.06618	2.4
112.32806	2.4
119.04934	26.1
121.06490	3.2
122.03661	7.2
123.04428	4.0
130.04192	6.8
131.04933	7.8
133.02846	3.8
133.06470	11.0
135.04439	6.1
137.05975	100.0
143.08258	2.3
145.02937	3.5
145.06436	3.0
147.04424	40.1
148.04794	3.6
149.05965	5.0
150.06723	6.0
151.07535	5.4
158.03613	4.0
161.05981	31.7
162.06749	39.7
163.07324	3.3
173.06017	9.3
175.03883	3.0
175.07440	2.7
177.05484	9.1
179.07039	10.0
191.07118	5.8
193.04938	6.8
201.05467	28.3
204.04199	4.2
207.06480	5.4
210.03358	2.5
210.07686	4.0
210.17152	2.6
215.06940	2.7
219.06538	23.0
231.06557	7.3
234.06772	3.7
265.08606	5.4
277.08572	5.3
293.07990	5.0
307.09564	4.6
323.09109	17.7
325.10693	27.1
337.10690	8.4
343.11771	26.5
343.51492	2.4
355.11838	22.7
549.37854	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	570.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09725	0.7
72.48641	0.8
85.02896	1.3
91.05472	8.4
98.23537	1.6
103.05460	4.1
105.03373	1.0
105.07043	3.9
115.05445	3.3
117.07040	0.8
119.04938	10.6
121.06544	0.9
122.03658	2.4
124.05214	1.4
130.04202	2.7
131.04936	6.9
133.02861	5.0
133.06517	3.5
135.04408	1.7
137.05974	26.8
143.04976	1.2
145.02859	1.9
145.06525	4.6
147.04396	12.7
149.06015	2.9
150.06799	3.8
151.03841	1.0
151.07552	1.2
158.03641	5.7
160.05226	1.8
161.05986	9.7
162.03169	1.1
162.06761	9.8
163.07553	2.5
165.05522	1.2
173.05977	15.4
175.03897	5.2
175.07574	1.1
177.05508	3.5
179.07051	4.0
186.03134	5.1
189.05484	1.3
189.07022	1.1
191.07076	1.8
193.04997	2.7
194.07437	0.9
199.04079	0.9
201.05464	100.0
202.04243	0.9
202.05873	3.5
203.06895	1.0
205.06427	3.9
213.05525	2.3
215.07030	1.0
219.06506	29.0
220.06845	1.7
222.06796	1.9
229.19756	0.8
231.06502	5.6
233.05989	3.8
234.06757	2.4
237.09030	4.6
247.07579	1.0
249.09171	1.5
250.06296	3.3
251.07030	1.4
261.05365	1.1
262.06158	1.9
263.06989	1.1
264.07632	2.1
265.08615	9.3
266.09152	1.8
277.08612	2.3
278.05725	2.8
279.06531	1.3
279.09940	1.1
290.05774	1.0
292.07236	3.0
293.08078	8.1
294.08786	1.8
297.11215	2.1
305.08078	3.8
307.06381	1.5
307.09601	9.3
308.10028	1.0
310.08286	1.8
323.09174	9.6
325.10687	50.3
326.11075	3.2
337.10663	7.4
338.11148	0.9
343.11771	11.4
355.11725	27.3
356.12112	1.6
373.12912	1.7
445.08545	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37693	0.5
52.85925	0.6
53.03938	0.9
55.01871	1.6
55.05517	0.7
57.03444	0.8
66.82794	0.6
67.05502	1.5
69.03422	2.0
69.07061	5.1
69.25681	3.4
71.05001	0.6
72.14143	0.6
79.05498	8.9
81.03397	0.9
83.04990	0.7
84.04482	0.9
85.02879	0.7
86.06072	1.6
89.03907	1.6
93.07029	0.7
95.04951	1.4
97.02903	4.4
97.06528	68.6
98.06866	1.5
105.07036	1.0
117.03379	2.3
117.62386	0.6
127.03909	0.8
135.04430	4.7
145.02826	4.4
159.04407	1.0
159.08076	0.7
161.02316	3.5
161.06017	1.2
163.03900	35.9
164.04256	1.5
165.16399	0.6
167.08644	0.5
169.06541	0.7
171.04457	0.6
171.08037	1.0
173.02354	11.8
174.02757	0.6
175.07495	0.9
185.05956	1.1
187.07573	0.8
189.09116	1.8
191.03242	0.7
191.06989	2.5
195.08029	0.8
199.07578	1.3
212.16534	0.8
213.09157	1.1
215.07030	21.5
216.07436	1.6
217.08604	0.8
228.10133	2.5
231.10233	0.6
241.08604	2.6
256.56436	0.6
259.09650	100.0
260.09985	6.8
261.10220	1.8
265.12347	0.7
269.11572	1.2
285.14825	0.7
287.12766	4.3
303.15976	0.8
311.12766	1.2
313.14301	1.8
327.15665	1.0
331.15408	5.2
337.14200	1.0
337.61044	0.6
355.15326	6.6
373.16443	4.0
390.93704	0.6
421.14810	2.4
458.80573	0.7
470.52499	0.7
517.20398	1.9
535.21674	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	570.4
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67500	1.2
52.29018	1.1
53.00304	4.6
53.03942	3.3
55.01873	5.4
55.05512	46.2
57.03440	14.1
57.07079	12.5
58.06617	2.1
59.05000	2.1
64.78957	1.2
65.48847	1.2
67.05508	20.1
69.03430	2.1
69.04668	3.7
69.05091	6.1
69.07069	35.1
71.01347	2.3
71.05007	1.5
71.08624	9.1
79.05484	16.7
79.70434	1.2
81.03429	5.8
81.07054	23.8
83.04983	3.5
83.08620	38.0
85.06531	1.5
85.10207	3.3
87.04520	1.2
89.06029	6.8
89.70258	1.2
91.05479	22.9
93.07047	20.2
95.04979	6.5
95.08611	10.6
97.02910	4.2
97.06541	5.8
97.10165	17.5
99.00815	22.7
99.08066	1.7
103.05472	3.0
105.07034	17.6
106.24586	1.2
107.04964	6.7
107.08591	14.2
109.02900	12.1
109.06533	5.3
109.10145	8.1
111.04471	2.0
111.08092	5.5
111.11685	6.3
115.03922	2.9
117.07044	4.0
117.08135	1.3
119.08578	11.3
121.06505	8.3
121.10147	3.7
123.08096	1.5
123.11679	2.7
125.09599	1.5
125.13247	1.4
127.03952	3.7
128.06238	3.1
129.06944	1.1
131.08569	3.6
133.06422	2.1
133.08600	3.8
133.10121	32.6
135.08118	1.7
135.11717	3.6
137.05963	2.1
137.09628	1.8
139.07542	2.4
143.08585	4.3
151.11200	11.6
157.10086	2.0
157.17096	1.1
159.11847	1.5
161.09610	20.4
165.09106	1.3
171.08081	3.7
179.10667	10.3
189.09087	6.1
197.11743	3.8
207.10173	5.4
225.11182	18.6
237.22104	1.8
243.12332	4.2
281.13831	2.8
299.14883	98.4
300.15280	4.2
311.25787	100.0
312.26251	5.8
402.71771	1.5
470.57965	1.4
535.36304	59.3
536.36646	5.8
570.43439	1.4
571.47107	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	44.9
55.05748	8.7
57.03432	17.5
57.07077	63.0
67.05503	86.9
69.03463	10.1
69.07062	49.0
70.29065	10.0
71.04998	9.4
71.08630	34.5
71.28584	15.0
79.05486	47.5
81.03436	16.4
81.07055	76.2
83.04966	12.8
83.08623	32.5
85.10197	26.2
89.06023	92.0
91.05482	41.6
93.07038	36.4
95.04981	30.1
95.08614	56.2
97.06508	11.4
97.10173	32.8
107.08625	27.5
109.10107	45.3
117.06995	16.4
131.08572	19.7
133.08591	37.0
133.10155	12.8
135.11679	13.0
145.10121	10.4
173.11684	11.3
177.11244	25.0
221.13852	9.6
223.13306	41.2
271.15479	24.9
297.16870	61.2
313.27371	100.0
320.85986	8.5
339.29044	20.7
371.22815	19.9
467.37274	26.6
468.37973	12.0
535.39746	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.5
55.05515	15.5
57.03438	12.3
57.07079	30.5
67.05511	15.0
69.07067	11.3
71.04990	2.4
71.08634	18.9
79.05503	19.1
80.26556	2.2
81.03407	6.7
81.07062	22.4
83.01350	5.7
83.04974	8.0
83.08627	16.7
85.10168	9.4
89.06031	24.7
91.05499	11.5
93.07034	18.3
95.04935	4.8
95.08611	19.5
96.08979	2.0
97.06517	2.7
97.10149	7.1
99.04446	2.3
103.07475	2.1
105.07027	7.4
107.04949	4.4
107.08597	9.4
109.06535	3.1
109.10156	8.3
117.07025	6.1
119.08582	9.1
121.10144	6.0
123.08091	4.7
123.11667	2.5
125.05969	2.5
133.08589	10.7
135.11717	10.2
145.10168	12.0
147.08011	2.6
163.11150	17.1
173.09659	2.3
177.11284	6.3
181.12123	2.5
209.11765	6.6
219.20470	2.0
227.12654	3.4
238.38905	2.1
283.15387	100.0
305.90042	2.4
327.28925	91.7
328.29257	5.0
371.22784	6.3
439.64865	2.1
535.39948	48.4
536.40228	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	570.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.9
55.05516	6.9
57.07080	56.7
57.26826	0.8
65.67753	0.9
67.05518	8.0
68.05839	0.8
69.07062	10.0
71.08633	52.7
73.06557	6.2
79.05500	6.6
81.03465	1.0
81.07065	5.1
83.04994	0.9
83.08614	5.0
85.10188	33.4
86.10485	0.9
87.04480	4.8
89.06033	100.0
90.06356	1.4
91.05463	6.5
93.07064	6.5
95.04993	1.1
95.08619	4.7
97.06577	1.4
97.10162	5.0
99.08099	0.9
99.11735	9.2
99.12234	0.9
102.40607	0.9
105.07041	3.9
107.04986	1.0
107.07089	3.6
107.08616	3.1
109.10187	2.0
111.11723	3.4
111.22108	0.8
111.49551	0.9
113.13283	7.6
117.07029	2.7
117.09138	6.1
119.08588	3.0
121.10186	2.9
123.11708	0.9
125.13239	2.2
127.14864	3.7
130.08682	1.4
131.07057	2.1
131.08620	1.7
133.08609	70.9
135.11726	1.1
145.10109	1.7
147.15782	0.9
149.13231	1.1
169.49152	0.9
177.11224	27.8
183.21098	1.4
199.84738	0.8
221.13763	4.8
226.73006	0.9
227.23630	1.5
229.32996	1.0
238.28772	0.9
239.14874	3.1
265.16571	1.6
271.26337	3.2
273.18591	1.0
277.02875	0.9
283.17563	3.4
291.19577	3.3
299.14737	0.9
315.29037	3.6
327.20215	3.3
371.22757	9.2
509.40448	1.1
519.72931	1.0
553.43182	7.9
554.43250	1.5
570.45508	1.1
571.35767	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	571.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19738	0.9
53.03941	1.1
55.05490	1.7
57.03427	1.1
66.92072	0.9
67.05502	1.4
69.03422	2.4
69.07069	2.6
70.16890	1.0
70.97316	1.0
70.97646	1.5
78.44231	0.9
79.05483	8.7
80.05015	18.4
81.03418	1.4
83.04991	1.3
89.03908	1.1
91.05483	2.0
92.72000	1.1
95.04992	2.2
97.02885	1.6
97.06532	15.2
98.06869	4.3
103.05467	19.8
105.07024	1.6
107.04955	8.9
108.04479	1.6
111.92770	1.0
121.06541	1.4
131.04947	12.5
135.04399	1.0
146.03030	1.2
149.05952	1.1
152.07127	1.5
163.03935	7.5
164.04240	4.1
176.08009	1.1
180.08124	1.8
182.09628	5.5
183.08037	0.9
191.06985	2.1
200.10680	3.1
201.09242	1.1
215.07318	1.0
228.10185	100.0
229.08638	1.0
229.10480	5.0
241.08568	8.7
242.08875	9.4
259.09653	9.6
260.09979	11.7
287.12778	2.0
288.13153	2.9
331.15335	2.2
332.15729	3.6
355.15329	1.2
356.15720	2.8
374.16763	2.4
409.25479	3.2
518.21039	2.0
536.22290	2.7
571.30072	4.3
585.49628	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.7
55.05503	1.6
57.07075	0.5
66.54708	0.6
67.05506	2.3
69.00867	1.4
69.01276	4.0
69.07063	1.7
75.03933	0.6
79.05505	2.7
81.03403	1.2
81.07069	2.1
83.04986	0.9
83.08632	1.4
91.05481	2.5
93.07056	2.4
95.04981	0.7
95.08595	0.8
96.23128	0.6
97.06516	1.1
97.10188	1.0
103.05404	0.7
105.07058	1.9
105.80167	0.6
107.04953	0.8
107.08626	1.4
117.07001	0.8
119.08585	1.2
122.09706	2.3
131.08530	0.8
133.10184	0.8
135.08148	0.7
145.10162	1.2
159.11685	0.7
163.11247	0.8
175.11339	0.7
202.73569	0.8
277.37338	0.6
289.18033	0.7
293.66068	0.6
409.25708	1.2
457.20273	3.9
471.21948	1.5
571.30914	100.0
572.31293	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	571.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.3
55.01856	1.2
55.05512	53.3
57.03432	2.4
57.07074	22.4
61.56609	1.1
64.36089	1.5
65.03937	2.4
67.05141	1.5
67.05505	46.1
69.07069	56.8
70.70148	2.1
70.70470	1.3
71.04996	1.5
71.08634	14.2
76.41128	1.4
79.05492	47.2
81.07056	40.7
81.07527	2.4
83.04983	2.7
83.08618	51.5
85.10193	6.4
86.16109	1.4
89.06035	2.3
91.05478	25.2
93.07043	52.9
95.04977	3.6
95.08609	34.1
97.06521	2.2
97.10173	35.2
98.10512	1.4
105.04564	1.5
105.07027	19.4
107.08595	20.1
109.10162	14.9
111.08049	1.6
111.11715	10.7
115.05431	1.5
117.07007	7.8
119.08582	16.4
121.10144	24.0
123.11699	3.9
123.76315	1.2
125.13303	4.9
128.06296	1.2
131.08549	10.0
133.08582	2.1
133.10130	11.3
135.11690	17.8
137.13240	2.2
145.10161	8.4
147.11650	7.4
149.13255	8.3
159.11627	6.0
161.13261	6.3
163.14842	2.2
173.13283	4.1
175.14810	4.0
177.12825	1.3
187.14891	3.0
201.16385	1.7
210.54327	1.4
243.21040	2.7
259.20502	2.6
261.22229	8.0
276.90961	2.7
311.25824	3.9
313.27429	3.4
317.24826	3.9
331.92911	1.9
497.43329	1.8
565.91028	4.9
566.91138	2.7
571.47180	100.0
572.47375	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	572.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.5
55.01857	7.2
55.05521	19.4
57.03447	5.1
59.04993	2.8
67.05511	24.8
69.03436	5.9
69.07069	12.5
70.83801	2.6
71.28516	3.0
75.55259	2.7
79.05499	28.8
81.03426	12.7
81.07046	24.2
81.08241	2.7
83.01331	2.7
83.04987	9.8
83.08620	7.9
85.06545	41.5
91.05483	17.7
93.07050	25.8
95.04972	8.8
95.08620	14.3
97.06558	4.9
97.10157	5.7
105.07034	18.0
107.04955	7.9
107.08590	13.4
109.02898	3.9
109.06517	5.4
109.10165	8.0
111.04495	3.4
115.17789	2.6
117.07043	11.4
117.12337	2.7
119.08613	12.7
121.06552	4.9
121.10155	9.1
123.08091	6.3
125.09650	7.5
125.85097	2.7
126.61671	3.1
129.07016	5.0
131.08566	8.3
133.06520	6.9
133.10097	5.3
134.07603	2.7
135.08083	4.3
135.11732	3.8
142.07869	2.9
143.08559	7.4
145.10146	7.4
147.08043	5.2
147.11661	5.4
149.09750	3.2
159.11740	4.3
163.11200	5.8
171.11690	2.8
183.06332	2.9
188.71153	2.5
189.11163	2.9
209.11565	3.0
223.13298	7.1
227.12738	4.4
243.07558	3.0
249.14825	3.7
255.15846	3.7
267.16245	3.2
273.18533	10.6
283.15503	8.1
291.19547	100.0
292.19803	3.5
295.19171	4.0
311.18369	3.3
315.10535	3.0
375.25323	9.1
396.72678	2.8
435.23306	3.2
440.49094	2.7
573.26434	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	572.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	4.5
53.03955	1.9
53.68918	1.4
55.01873	2.9
55.05516	15.4
57.03442	9.0
57.06803	2.3
57.07076	30.0
59.04989	2.4
61.91951	1.8
67.05510	11.8
69.00433	6.8
69.00857	7.9
69.07072	8.1
69.79671	1.6
71.08631	20.1
79.05502	7.4
81.07056	20.3
81.09480	1.4
83.04987	3.1
83.08626	14.3
85.06548	2.3
85.10197	10.6
89.06045	1.8
91.05479	15.0
93.07045	10.9
95.04963	4.2
95.08607	16.8
97.02915	2.9
97.06535	2.8
97.10175	5.4
99.00826	13.3
105.07018	10.5
107.04942	3.6
107.08608	4.4
109.02876	6.5
109.06496	2.1
109.10146	8.2
111.08073	3.7
115.03934	2.5
117.07008	3.4
119.08588	6.7
121.06493	4.4
123.04435	2.1
123.11720	3.4
127.03838	1.8
131.08591	1.8
133.06493	1.9
133.10139	23.8
139.07561	1.8
143.08508	3.0
145.10133	1.6
151.11157	5.7
161.09595	12.1
171.07947	1.9
179.10674	8.8
189.09152	6.0
197.11737	3.1
207.10303	3.8
225.11198	14.9
239.23741	2.2
243.12453	3.7
257.24765	2.5
281.13867	9.3
299.14877	99.3
300.15350	3.3
302.22925	1.7
313.27368	100.0
314.27649	6.2
426.04425	1.8
537.37866	49.1
538.37988	5.2
554.54858	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.0
55.01869	11.7
55.05514	47.8
57.03438	20.5
57.07069	22.4
57.32619	2.7
65.07339	2.1
67.05499	39.7
68.99590	20.3
69.07064	46.1
71.01343	7.3
71.08636	17.3
79.05495	35.2
81.03416	23.9
81.07053	32.6
83.01359	5.0
83.04975	17.1
83.08620	44.2
83.80474	2.8
85.02905	6.1
85.06528	3.1
85.10165	5.6
91.05489	19.8
93.07040	35.2
95.04977	10.7
95.08602	23.1
97.02895	9.0
97.06523	9.5
97.10166	24.5
99.00861	3.1
100.33965	2.1
104.90473	2.3
105.07030	14.1
107.04964	15.1
107.08607	20.4
109.06498	6.1
109.10180	14.4
111.04445	3.3
111.08067	6.5
111.11725	10.4
117.07011	9.4
119.08576	15.0
121.06446	3.5
121.10141	14.8
123.08070	4.6
123.11721	4.0
125.05972	2.7
125.09614	2.9
131.08574	10.4
133.10152	5.6
135.08008	4.0
135.11700	21.1
137.09569	3.3
142.18396	2.4
145.10101	16.8
147.08081	3.8
147.11708	3.3
153.12727	12.4
155.08588	2.8
163.11201	30.5
164.11420	2.6
173.09682	5.8
181.12254	10.7
191.10657	12.8
209.11729	23.1
221.15483	2.8
222.15817	3.5
227.12730	14.0
256.88696	2.4
265.14279	9.5
283.15439	20.0
299.14771	16.6
300.15356	6.5
301.16440	63.6
311.25778	100.0
312.25931	11.6
313.27216	21.6
352.19565	2.4
362.61163	2.3
392.91772	2.5
501.35626	5.9
519.36768	24.7
520.36768	3.7
537.37756	85.1
538.37994	7.1
541.43024	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	572.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.5
57.03421	1.4
57.06797	1.3
57.07076	26.9
61.25518	1.0
63.47618	0.8
67.05513	6.4
69.07071	4.6
71.04961	1.2
71.08632	27.2
73.06558	9.0
79.05491	4.1
81.07061	5.6
83.04965	1.0
83.08627	6.8
85.10184	23.0
85.61614	1.1
87.04467	5.2
89.06033	100.0
91.05470	4.6
92.05785	0.9
93.07041	5.0
93.25487	0.9
95.04981	1.9
95.08600	3.4
97.06540	1.4
97.10164	2.1
99.11713	2.8
105.07014	3.4
107.07071	2.6
107.08580	2.8
109.10156	2.7
113.06022	2.1
117.09167	5.3
119.08561	3.5
120.08871	1.1
121.06490	1.3
121.10179	2.1
130.08591	1.8
131.06992	2.0
131.08577	2.0
133.08600	46.9
133.10126	1.9
134.08971	1.2
135.10133	1.7
135.11655	1.0
141.16409	4.8
145.10141	1.6
161.09509	1.1
161.11812	1.0
163.32129	0.8
177.11226	16.9
185.18980	6.0
221.13774	2.1
229.21632	9.2
239.14925	1.3
273.24207	4.1
283.17438	1.5
291.19547	1.7
292.19653	0.9
383.24536	1.2
415.25565	1.2
422.64151	0.9
548.61731	1.0
555.40747	3.3
572.35419	4.0
572.45374	1.0
573.34100	1.6
584.86963	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
55.05518	14.4
57.03440	13.9
57.07076	38.0
60.19390	3.0
63.79154	3.3
65.03938	4.4
65.57402	3.0
67.05505	26.7
69.07055	7.5
70.19884	2.9
71.08642	24.8
75.01804	2.6
79.05505	12.4
81.03418	50.7
81.07053	28.2
82.74068	2.8
83.08613	16.6
85.10183	15.3
85.62672	2.9
89.06057	4.1
91.05482	34.9
93.07054	13.4
95.04971	13.2
95.08604	20.0
97.10161	7.3
105.07035	21.5
107.08627	6.4
109.10174	16.5
117.06988	5.1
119.08546	14.5
121.10164	4.4
123.11723	4.8
129.07001	7.0
131.08543	7.3
133.10115	26.6
147.08025	3.6
149.09621	4.5
151.11197	8.5
157.10161	6.0
161.09665	8.4
175.11162	4.8
193.12267	13.2
239.23721	5.1
245.77884	3.3
251.07825	3.2
267.15921	66.3
299.14899	26.5
313.27347	100.0
314.27765	5.9
505.38861	45.1
506.38971	5.7
537.37836	15.9
572.46613	4.7
573.48883	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	573.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.6
53.03945	3.8
53.48792	0.3
55.01872	12.1
55.05512	29.8
55.05760	1.1
56.05794	0.4
56.61398	0.4
57.03439	5.2
57.07042	1.1
59.04991	2.5
65.03941	2.8
66.04678	0.4
66.59690	0.3
67.05505	34.0
69.03428	9.6
69.07069	25.7
71.01328	0.9
71.04995	3.8
71.08611	0.8
71.30235	0.6
73.02858	0.4
73.06512	0.5
77.03905	0.9
79.05492	37.2
80.05811	0.8
81.03423	11.4
81.07057	30.6
82.07381	0.6
83.00909	0.4
83.01343	5.9
83.04981	11.9
83.08616	10.3
85.02897	2.2
85.06515	1.5
91.05479	28.5
93.07043	31.0
94.04153	0.6
94.07358	0.9
95.01305	0.9
95.04971	12.2
95.08605	16.1
97.02306	0.8
97.02892	13.3
97.06528	6.7
97.10170	9.6
99.04487	1.9
99.08057	0.7
103.05453	1.3
105.03378	0.5
105.04490	1.3
105.07031	18.1
106.07350	0.5
107.04958	12.9
107.08592	18.4
109.02823	0.7
109.06520	7.5
109.10157	8.3
111.04437	2.6
111.08091	2.9
113.06010	0.5
114.88746	0.4
115.05430	2.2
116.06205	0.7
117.07018	11.0
119.04906	1.5
119.06045	0.4
119.08582	16.2
120.08932	0.4
121.06514	4.5
121.10139	7.9
123.04367	1.1
123.08077	7.2
123.11665	1.3
125.05962	0.9
125.09624	7.4
128.06207	1.4
129.07013	4.1
130.07813	2.0
131.04884	0.7
131.08566	9.6
133.06493	3.1
133.10126	6.2
135.04369	0.5
135.08069	4.1
135.11697	8.5
137.09634	3.3
139.07492	0.9
141.06979	0.6
142.07751	0.8
143.08539	4.3
145.06468	1.9
145.10118	14.4
145.11253	0.8
145.93135	0.5
147.08041	5.7
147.11693	3.1
149.05914	0.6
149.09618	2.5
149.13257	2.4
151.11143	1.4
151.69609	0.4
153.06906	0.4
153.09071	0.8
153.12724	2.8
155.06082	0.4
155.08524	1.7
157.10147	2.6
159.08047	0.9
159.11691	3.2
161.09599	2.7
161.13211	0.6
162.10315	0.8
163.11189	15.2
163.14720	0.4
164.11508	1.0
165.09126	2.5
169.10075	0.8
169.12248	0.8
171.10178	0.8
171.11685	1.5
173.03577	0.4
173.09613	2.0
173.11766	0.8
173.13252	0.8
175.11229	3.1
177.08946	0.5
177.12740	2.0
179.10609	0.6
181.10046	0.8
181.12260	2.3
185.09673	0.6
185.13272	0.6
187.11098	0.9
189.11212	2.9
189.12717	0.7
191.10718	2.2
191.14227	0.5
193.12184	0.7
195.11826	0.6
195.13795	2.1
197.13106	0.4
203.10542	0.5
203.14140	0.6
205.12209	1.9
209.11711	4.0
213.12657	0.4
213.14742	0.6
223.13287	20.5
227.12756	3.4
227.17944	0.9
231.17432	0.5
233.15340	0.4
245.18967	1.6
249.14874	1.9
255.17451	1.4
263.20148	0.9
265.14444	0.4
273.18500	14.3
274.18939	0.6
275.20001	0.4
283.15350	2.3
291.19534	100.0
292.19910	5.3
309.20450	0.5
311.14856	0.5
329.20947	0.7
347.22382	1.8
365.23239	1.6
555.33453	1.3
573.34210	62.6
574.34570	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	573.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79919	1.7
53.03956	5.0
55.05509	24.2
57.06794	3.1
57.07078	54.7
65.03934	2.3
67.05503	66.3
68.99872	3.7
69.00260	19.3
69.07071	37.0
69.26528	1.8
71.08281	3.5
71.08633	31.8
74.31036	1.7
79.05494	41.3
81.07055	69.4
83.04996	1.9
83.08621	29.0
84.08993	2.0
85.06532	3.5
85.10169	18.7
86.09994	1.9
87.04477	7.0
91.05484	26.5
93.07045	43.1
93.07637	2.8
95.04967	5.6
95.08604	61.7
97.06579	3.3
97.10176	13.8
101.27090	1.9
101.52822	1.9
105.07018	19.9
107.08599	29.4
109.10155	25.4
111.11768	4.6
115.87350	1.8
117.07046	6.5
119.08583	14.5
121.10154	19.9
123.11712	9.7
131.08548	12.3
133.10135	11.6
135.11707	22.8
137.13277	4.1
145.10127	8.7
147.11691	6.5
149.13254	11.6
159.11714	8.8
161.13266	6.5
163.14832	3.7
165.09149	2.9
173.13304	8.6
173.59962	1.9
175.14883	5.4
187.14963	3.1
239.23752	8.6
240.31383	2.0
243.21159	5.7
261.22119	24.1
270.56839	1.9
313.27466	6.3
317.24841	7.7
509.67627	2.1
573.48724	100.0
574.48969	11.7
591.23529	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	574.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38843	1.6
55.01870	2.2
55.05522	9.7
57.03439	3.2
57.07078	49.9
58.06606	4.5
63.73699	2.2
67.05502	17.7
69.07067	9.5
71.08635	29.4
73.20693	1.6
75.04493	3.6
79.05480	6.3
81.03407	1.7
81.07053	26.0
83.05042	1.9
83.08617	13.1
85.02933	2.0
85.10193	15.7
87.04470	100.0
89.06017	3.7
91.05499	10.2
93.07037	9.0
95.04990	2.0
95.08607	29.7
97.10155	5.5
99.04430	2.6
105.07034	3.7
107.04936	2.1
107.08596	4.5
109.02852	2.6
109.10140	12.1
110.10542	1.9
115.88166	1.8
119.08566	5.3
121.06489	6.3
121.10146	4.1
123.11696	4.5
128.32043	1.7
131.08543	2.5
133.10104	2.8
135.08133	1.8
135.11757	2.2
145.10147	2.2
147.08041	2.8
147.11569	2.2
159.11761	1.9
165.09149	2.3
221.15346	1.8
221.22679	2.3
222.15770	2.0
233.18997	3.2
235.53537	1.9
236.14980	8.2
239.23715	32.4
256.26349	5.7
257.24677	6.1
277.21588	5.9
313.27365	97.4
314.27676	7.8
331.28363	12.9
333.95163	1.6
534.49481	1.8
539.28308	2.1
543.36810	2.9
574.40735	9.6
575.40894	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	574.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61713	1.8
53.03946	2.0
55.01878	1.9
55.05516	8.1
57.03439	5.1
57.07074	39.1
60.34960	1.6
67.05507	19.9
69.07081	11.5
69.43830	3.8
69.44235	8.5
71.08636	35.2
75.04482	1.6
79.05481	8.5
81.03400	1.6
81.07061	25.6
83.04987	3.7
83.08622	12.1
85.06498	2.5
85.10184	14.5
87.04467	2.0
89.06040	1.6
91.05479	4.6
93.07061	5.7
95.08614	27.3
97.10168	7.6
98.22659	2.1
99.08117	2.6
105.07028	3.5
107.08600	5.1
109.02901	3.7
109.10159	11.7
111.11733	1.9
119.08588	2.7
123.11724	4.8
123.13764	1.4
125.13256	1.6
131.08609	1.9
137.13371	1.9
145.10141	2.2
148.50731	1.8
163.11174	1.9
217.78062	1.6
239.23701	33.3
240.24219	1.5
257.24704	3.8
293.20956	14.1
313.27362	100.0
314.27802	3.7
331.28516	7.7
341.45444	1.6
539.29022	5.6
575.35718	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	574.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74367	1.7
53.03937	2.9
55.01879	10.1
55.05519	17.7
57.03434	18.2
57.07080	49.0
59.05016	1.7
67.05178	2.8
67.05508	35.1
69.07073	19.2
69.65738	6.9
71.01342	3.2
71.05011	4.2
71.08252	1.7
71.08635	28.0
72.57224	1.7
79.05500	23.7
81.03419	22.0
81.07063	35.2
83.01331	3.0
83.04982	22.2
83.08624	22.4
85.02888	4.5
85.06566	2.8
85.10193	15.2
87.04465	6.1
89.06068	2.5
91.05495	13.4
93.07056	29.0
95.04995	9.9
95.08610	35.9
97.02911	11.5
97.06531	8.6
97.10157	7.8
103.07528	2.6
105.07021	9.6
107.04964	13.4
107.08588	15.6
109.06504	5.5
109.10155	18.7
111.04441	8.2
111.08079	3.6
117.07033	9.7
119.08605	13.5
121.06538	3.3
121.10137	12.2
123.08048	4.9
123.11681	4.7
123.49950	1.7
129.06973	2.4
131.08614	9.3
133.10164	2.7
135.08092	3.6
135.11694	17.2
145.10141	17.7
147.07968	3.3
153.12740	13.9
155.08513	2.1
163.11188	33.5
164.11539	2.0
173.09621	7.2
181.12250	9.8
191.10646	10.6
209.11729	31.7
227.12804	22.7
239.23636	2.2
265.14352	6.3
283.15363	23.9
299.14761	2.9
300.15305	3.0
301.16455	63.4
302.16745	3.9
313.27371	100.0
314.27603	9.9
315.28052	1.9
503.37244	4.8
521.38312	28.7
522.38495	3.7
539.39417	51.5
540.39618	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	575.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	0.8
69.07040	0.4
69.76772	0.8
69.77168	0.5
79.05497	0.3
81.07028	0.4
83.04967	0.7
85.02898	0.5
89.79820	0.3
91.05450	0.6
93.07021	0.4
94.06572	9.1
95.08591	0.5
96.36092	0.3
97.02885	0.3
97.06502	1.2
107.08612	0.3
119.08549	0.9
122.05974	0.7
137.09798	0.3
137.10742	2.0
138.05519	0.4
138.09111	1.3
154.06517	0.3
163.03868	0.5
164.06941	0.3
164.10715	2.2
185.07152	0.5
185.10857	0.4
201.10223	0.5
211.08656	3.0
212.09433	3.5
215.07068	0.6
216.07434	0.5
225.10159	0.5
227.11823	3.5
244.08510	0.5
245.09230	2.3
245.12933	1.0
259.09683	1.1
260.10031	1.1
270.09976	0.7
271.10767	50.1
272.11154	2.4
277.98672	0.3
284.11600	0.4
285.12238	0.5
289.13400	0.9
292.14346	0.5
295.10635	0.4
299.09027	0.3
304.15091	0.3
305.11563	1.8
306.16049	0.6
320.13953	2.8
323.09955	0.6
332.14990	0.5
333.12177	0.7
334.15717	0.7
336.13467	1.4
336.21002	0.5
338.15106	0.9
348.17120	1.2
349.10574	0.9
349.18018	1.9
350.11182	0.4
350.15076	3.0
360.13486	0.5
362.12436	1.4
363.12732	2.0
363.17084	1.9
364.12885	28.0
364.16595	1.5
364.20377	1.1
365.13309	1.8
365.17352	0.4
366.14581	0.6
376.13742	0.7
378.14346	4.1
378.18304	0.4
379.15225	13.1
379.20007	0.7
380.15604	1.3
380.19748	4.1
381.20224	0.4
382.21359	2.6
390.18185	0.9
391.16479	11.4
392.16144	3.6
393.16766	2.3
406.17621	2.9
407.18369	4.0
408.19159	100.0
409.19485	9.8
412.22159	0.8
420.15213	1.8
438.20258	61.8
439.20538	4.9
443.13199	0.4
545.27612	14.5
546.27954	1.4
557.16132	1.8
557.24994	0.5
575.18048	10.2
575.28638	44.8
576.18195	1.0
576.28931	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	575.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	7.6
54.53735	6.0
55.05520	35.8
55.05737	7.2
57.03431	10.9
57.07072	59.5
61.87115	7.0
67.05505	98.7
69.07075	37.6
71.08630	40.7
79.05484	52.2
81.07052	100.0
82.85018	7.3
83.04945	13.3
83.08596	22.8
85.10187	23.3
87.04469	10.3
91.05473	38.4
92.05836	8.4
93.07042	53.0
95.04961	14.0
95.08604	91.2
97.02905	10.0
97.06533	8.3
97.10167	17.3
98.22644	16.9
105.07030	16.8
107.04932	8.0
107.08587	22.0
109.10148	42.0
111.04417	12.3
117.07063	8.2
119.08582	16.0
121.10136	19.5
122.10471	10.3
123.11725	10.2
131.08601	9.6
135.11662	24.3
135.75075	6.8
136.12082	7.3
145.10144	18.1
147.11693	12.8
163.11180	13.5
173.09563	11.2
191.10587	10.7
192.10995	8.2
209.11813	15.9
210.12097	9.7
227.12753	13.1
239.23489	8.8
255.15901	11.6
283.15417	82.8
284.15659	56.7
302.16794	8.7
307.99240	7.5
313.27319	22.0
314.27817	20.5
522.38849	8.4
540.39240	13.3
575.33344	56.2
575.41583	11.5
575.50391	83.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30844	1.1
51.02382	1.3
53.03941	5.5
55.01874	37.1
55.05512	57.1
55.17694	1.4
57.03437	15.4
57.07076	5.0
59.05002	5.1
65.03948	5.3
67.05506	86.2
68.05839	1.9
69.03422	6.9
69.07070	38.1
69.46360	5.3
71.01341	1.7
71.04985	9.0
71.08635	2.7
72.59715	1.2
77.03940	2.6
79.05493	86.6
80.05834	1.3
80.08430	1.2
81.03416	24.5
81.03855	2.0
81.07057	100.0
82.07397	2.0
83.01342	8.3
83.04494	1.7
83.04980	26.5
83.08621	31.4
85.02904	6.0
85.06560	6.0
85.10204	1.8
87.04490	1.3
91.05482	80.4
92.05817	1.5
93.07042	79.5
94.07369	1.5
95.01379	1.4
95.04973	26.0
95.08609	52.4
97.02913	5.1
97.06530	38.6
97.10171	17.4
98.22693	2.4
99.04480	3.6
99.08104	3.6
103.05483	4.3
105.04544	3.0
105.07033	70.1
106.07372	2.1
107.04953	33.3
107.08594	52.5
108.08952	1.4
109.06511	16.8
109.10155	25.9
110.40286	1.3
111.04459	5.2
111.08092	9.9
113.05995	1.9
115.05479	4.2
117.07015	29.4
119.04957	1.3
119.08577	50.2
120.08877	1.6
121.06515	10.6
121.10136	27.8
123.08071	18.8
123.11694	10.0
125.05965	2.5
125.09629	17.2
125.36237	1.2
128.06259	3.0
129.07016	12.1
130.07851	3.0
131.05009	1.2
131.08574	32.4
133.06506	5.1
133.10130	37.2
135.08055	12.4
135.11699	24.2
137.09625	7.4
137.13235	2.0
139.07536	1.6
141.07014	4.2
142.07858	2.0
143.08575	10.9
144.09341	1.4
145.06505	3.5
145.10124	47.6
146.10466	1.5
147.04433	2.1
147.08060	6.1
147.11678	21.0
148.12074	1.6
149.06076	1.5
149.09615	36.3
149.13222	6.2
151.11183	6.5
153.09126	2.4
153.12779	4.3
155.08560	5.9
157.10110	8.6
159.08070	2.4
159.11713	16.5
161.09651	6.9
161.13234	10.0
163.11180	43.3
164.11562	2.1
165.09142	4.7
165.12743	2.4
167.08591	1.3
168.09502	1.7
169.10075	5.9
171.08008	1.8
171.11670	7.9
173.09720	5.6
173.11823	2.1
173.13167	9.0
175.11223	3.8
175.14888	1.7
177.12791	3.6
179.14326	2.8
181.10339	1.4
181.12242	6.5
183.11737	4.7
185.09651	1.3
185.13290	3.3
187.11211	4.9
187.14799	2.7
189.09528	1.5
189.11142	8.3
191.10754	4.3
191.14301	2.0
192.25990	1.3
193.12172	6.0
197.13287	5.6
199.14676	1.6
205.12273	1.2
207.11649	2.0
209.11694	11.1
211.13295	3.2
213.16466	1.5
215.17966	2.0
219.13860	1.6
219.17470	1.4
223.13284	3.3
223.17172	1.5
227.12785	24.4
229.19563	4.2
239.18037	3.8
245.13805	1.6
247.20612	6.6
251.20123	2.6
253.14340	1.7
257.18997	15.8
265.21674	2.3
267.15945	3.7
273.18518	4.2
274.72409	1.2
275.20059	96.2
276.20413	3.5
283.15405	61.2
283.67310	1.2
284.15897	1.8
291.19531	13.7
292.20007	1.8
293.21127	11.9
295.20810	2.2
313.21701	5.3
315.19681	1.8
329.21078	1.2
331.22690	3.2
349.23730	38.3
350.23926	2.3
352.40146	1.3
379.21140	4.1
437.30417	1.7
447.29214	2.0
453.24689	2.3
461.28610	2.8
465.30042	3.3
477.28519	3.8
483.31311	2.6
529.34985	2.8
539.33771	7.5
557.26300	2.7
557.34735	44.2
558.35065	4.2
575.35858	32.8
575.49280	7.1
576.36011	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	575.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.9
53.49978	1.6
53.71276	1.7
55.01875	36.8
55.05513	41.1
57.03427	13.4
57.07076	9.5
59.04997	3.3
65.03933	5.3
67.05505	69.6
69.03426	3.5
69.07068	40.6
69.13062	1.9
71.04992	5.9
71.08633	13.5
76.01496	2.0
77.03958	1.5
79.05495	68.4
80.05843	3.0
81.03422	19.7
81.07059	86.4
82.07372	2.5
83.01341	6.7
83.04984	17.9
83.08624	23.3
84.07558	1.7
85.02903	5.0
85.06526	4.2
85.10163	2.3
91.05480	69.3
92.05827	2.6
93.07041	63.0
95.01336	5.9
95.04984	21.5
95.08608	44.3
97.02883	3.1
97.06535	47.7
97.10174	10.2
99.04482	3.4
99.08106	8.4
103.05457	4.7
103.23534	1.6
105.04528	1.8
105.07030	78.9
106.07349	2.8
107.04285	2.4
107.04955	29.6
107.08595	37.3
109.06503	16.7
109.10176	17.5
111.04430	2.9
111.08088	5.7
111.11777	1.7
115.05438	3.6
117.07015	25.4
119.08582	46.2
120.08952	1.9
121.06520	9.9
121.10147	17.7
123.04464	3.4
123.08071	13.3
123.11716	8.0
125.05996	2.7
125.09635	5.7
129.06995	6.7
130.07790	3.3
131.08571	25.0
133.06479	2.8
133.10133	45.1
135.08028	9.8
135.11690	18.9
137.09639	5.5
139.07570	3.9
139.11171	2.3
141.06952	3.2
143.08565	6.6
145.06546	2.5
145.10121	28.2
146.10437	1.7
147.08061	4.2
147.11699	17.3
149.09644	11.8
149.13287	6.3
150.76465	1.7
151.11182	5.3
153.12766	2.8
154.68933	1.6
155.08624	3.4
157.10129	7.6
159.08044	2.2
159.11693	11.0
161.09639	3.8
161.13260	6.0
163.11165	27.9
165.09160	3.7
165.12799	2.6
167.10579	2.0
169.10066	4.7
171.11740	3.0
173.09636	4.4
173.13293	4.8
177.09323	1.7
177.12750	5.4
179.12907	1.7
179.14270	11.4
181.12245	5.3
183.11684	2.7
187.11206	3.5
187.14854	2.0
189.11159	3.3
191.10699	3.7
193.12123	2.7
195.13782	1.9
197.13332	3.1
201.16379	2.1
209.11772	10.7
215.17860	1.9
219.17416	22.7
227.12822	6.0
229.19446	2.2
239.17937	2.4
247.20506	5.8
257.18964	8.5
259.14685	1.9
267.15909	2.1
275.20047	100.0
276.20401	8.0
277.21786	2.2
283.15417	57.1
291.19699	4.7
293.21103	51.6
294.21701	3.2
340.16006	1.9
349.23697	19.3
552.64795	2.0
557.34692	52.2
558.35120	5.9
575.35382	30.2
575.49951	16.1
576.35950	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	576.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60077	4.4
53.03944	7.4
55.01876	16.4
55.05512	45.1
57.03435	25.7
57.07066	7.0
59.61642	4.0
59.90366	4.7
62.41959	4.9
67.05507	80.9
68.05843	4.7
69.03450	10.1
69.07069	24.6
69.97577	13.7
69.97917	4.2
71.04986	14.6
71.08624	5.8
79.05496	77.0
81.03419	60.4
81.07063	68.5
83.01363	7.5
83.04984	27.1
83.08614	32.6
85.02915	10.4
86.09711	10.8
91.05481	59.8
93.07047	72.9
95.04466	5.1
95.04974	27.4
95.08601	39.9
97.02904	14.7
97.06522	34.7
97.10164	15.6
99.00836	10.4
104.10742	17.6
105.07028	39.3
107.04928	24.2
107.08617	38.0
109.02882	7.8
109.06538	20.1
109.10166	19.3
111.04420	23.6
111.08087	13.3
117.07039	16.3
118.07359	5.0
119.08607	35.9
121.06515	18.0
121.10140	34.3
123.08067	18.5
123.11687	6.7
124.99960	5.7
125.05953	5.3
125.09666	8.9
129.07013	8.6
131.08559	18.1
132.08818	6.1
133.06409	7.8
133.10135	32.8
135.08051	10.6
135.11665	26.3
137.09625	8.2
143.08585	9.8
145.06526	6.3
145.10144	32.2
147.08037	8.7
147.11711	12.9
149.09615	12.7
151.11104	4.7
153.12686	5.6
157.10126	10.7
161.09515	8.0
163.11205	33.3
173.09642	7.5
175.11218	4.6
181.12248	6.9
184.07375	20.2
191.10603	5.4
193.12210	11.3
209.11739	61.7
223.01482	4.0
224.86635	5.0
227.12785	26.4
241.14357	11.5
267.15948	49.1
275.20145	8.6
276.20313	8.0
283.15387	100.0
299.14835	30.8
300.15527	5.2
301.16547	28.3
449.25381	6.7
473.25272	7.7
491.26459	70.8
509.27454	24.9
558.35626	7.8
576.35950	13.4
576.50562	13.7
598.20758	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	576.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93177	8.0
55.05516	25.3
57.03439	18.2
57.07079	62.3
65.84892	9.0
67.05515	70.0
69.07073	28.8
71.08617	46.9
79.05495	47.3
81.03413	57.9
81.07072	60.4
82.07435	9.9
83.08619	24.8
85.10177	30.9
86.02457	9.7
91.05476	32.4
93.07046	46.1
95.04980	17.9
95.08613	53.9
105.07007	20.0
107.08597	30.8
109.10167	30.1
109.78146	9.4
117.07008	12.8
119.08578	21.4
121.10144	14.8
129.07027	15.7
131.08562	11.8
133.10144	15.4
137.05980	26.6
143.28709	9.5
147.11774	10.0
151.07523	11.6
155.29298	10.1
157.10129	19.4
185.50682	10.1
193.12215	25.2
201.70117	10.1
237.06139	9.3
239.49239	9.5
267.15909	73.3
313.27374	100.0
456.93723	11.8
505.38928	30.0
576.50146	33.5
577.37744	26.4
597.59564	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	577.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05474	0.4
56.96566	1.0
69.03463	0.6
70.15128	0.9
70.15457	1.1
81.03441	0.7
83.05016	1.1
85.02871	0.8
91.93919	0.4
98.97576	2.4
101.10898	0.7
110.97588	0.5
116.98666	0.8
139.66837	0.5
143.01929	0.6
158.01283	0.6
158.99673	1.3
161.02994	0.6
172.21965	0.6
177.00734	0.6
200.02367	0.9
219.01833	0.5
221.05090	0.9
241.05762	1.1
256.32098	0.5
260.04501	1.1
269.19510	0.5
278.05646	0.9
283.51907	0.5
299.07373	61.4
300.07727	2.8
301.08945	12.3
332.06848	0.7
350.07431	0.7
452.45792	0.5
481.15759	0.7
556.23822	0.5
577.17352	100.0
578.17712	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	577.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
63.58480	0.5
67.05530	0.8
98.22533	1.0
103.63564	0.5
118.97807	0.6
122.06028	1.2
128.15546	0.5
136.07553	0.7
164.07059	0.6
194.69778	0.6
199.08681	0.6
200.09462	0.7
202.07396	1.7
215.11674	0.6
217.09645	1.6
227.08350	0.5
228.08904	0.9
243.11287	1.0
259.10767	1.1
261.08694	9.9
276.15082	0.5
284.61639	0.6
287.10236	8.0
288.11017	0.5
290.13129	0.6
291.13577	0.7
300.02905	0.5
301.11731	1.3
304.14511	0.7
306.15909	1.3
320.10339	1.5
320.13858	0.8
322.15628	0.8
324.17206	0.6
332.13956	1.2
334.11893	1.9
347.12161	0.7
348.13364	14.6
349.14087	4.1
350.14978	14.1
350.18503	0.5
351.15405	1.1
362.14966	2.6
363.15866	1.1
364.12634	0.8
376.12869	17.1
377.13376	1.6
378.14432	1.4
378.18311	1.3
381.17010	0.7
382.52792	0.5
394.17538	1.5
396.19397	2.6
398.17133	0.9
406.13956	2.1
407.14716	41.9
408.15167	3.9
422.17053	100.0
423.17432	8.6
440.18069	1.4
559.25452	34.3
560.25580	3.4
577.18542	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
55.05515	2.1
57.07084	0.5
67.05505	4.3
69.07075	2.1
69.26054	1.8
69.26460	1.3
71.04992	0.8
71.08656	0.6
79.05488	4.6
81.03422	1.4
81.07064	3.7
83.04996	1.2
83.08625	1.2
91.05481	3.9
91.46868	0.4
93.07039	3.2
95.04979	1.8
95.08620	3.1
97.06541	1.3
97.10184	1.0
105.07040	2.4
107.04955	0.8
107.08604	1.8
108.15050	0.5
109.06552	0.9
109.10178	1.9
111.04467	0.6
111.08076	0.6
119.08607	1.7
121.06541	0.6
121.10178	1.7
123.08089	0.6
123.11747	0.6
125.09644	0.7
129.07005	0.5
131.08536	1.0
133.10129	1.2
135.11710	0.8
145.06502	0.5
145.10155	1.7
147.11664	1.1
149.09657	0.8
151.11227	0.6
159.11655	0.9
161.13322	0.8
161.70206	0.5
163.11182	0.8
174.54465	0.4
199.28815	0.5
227.12740	0.8
259.20581	0.6
277.21680	0.5
283.15439	1.0
284.15732	0.6
296.38248	0.6
301.16409	0.5
415.24683	0.6
559.28357	1.3
559.36121	1.1
576.50696	0.7
577.29810	100.0
578.30206	8.5
585.54028	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
55.05498	1.9
57.03427	1.2
57.07071	1.7
67.05498	4.8
69.07061	2.1
71.04996	0.6
71.08636	1.5
79.05499	3.3
81.03421	1.8
81.07044	5.6
83.04950	1.2
83.08625	1.8
91.05472	2.7
93.07047	2.6
95.04955	1.7
95.08591	3.0
97.06537	1.5
97.10168	1.3
98.22624	1.5
105.07039	2.6
105.50432	0.6
107.04968	0.9
107.08585	2.2
109.10165	1.8
117.06998	0.9
119.08600	1.9
121.06585	0.8
121.10143	1.7
131.08603	0.9
133.10138	1.3
135.08037	1.0
135.11649	0.9
145.10123	0.9
149.02428	0.7
159.08054	0.7
163.11208	1.3
182.83864	0.6
184.17139	0.8
193.05006	0.7
229.28622	0.8
259.07806	1.5
275.20215	0.8
331.10104	0.8
341.20627	0.7
415.24524	2.3
493.20544	0.7
524.84546	0.8
563.54852	0.7
577.29779	100.0
577.51288	1.9
578.16602	0.9
578.30231	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	577.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55660	0.9
55.01897	0.8
55.05511	1.9
57.03432	1.1
57.07096	4.5
57.07314	0.8
67.05501	4.2
68.97578	1.5
68.97976	7.1
69.07062	1.5
71.08640	2.3
79.05515	1.8
81.07063	3.7
83.08648	1.9
85.10207	1.1
85.78754	0.8
88.06354	0.8
91.05478	1.8
93.07053	2.4
95.08609	3.8
97.10188	1.1
98.23369	1.9
103.02653	1.0
105.07059	0.9
107.08627	1.3
109.10184	2.1
121.10120	0.9
136.23500	0.8
144.21030	0.8
265.10663	5.1
313.27463	2.4
315.28015	1.2
321.13138	4.7
354.22778	0.8
531.59052	0.9
548.17719	1.0
576.50726	1.1
577.37073	100.0
578.37524	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	577.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.2
55.01862	11.3
55.05510	30.7
57.03175	3.0
57.03432	13.4
57.07068	7.8
59.05007	4.0
65.03928	4.7
67.05502	57.5
69.03429	3.5
69.07072	24.2
69.17245	22.5
71.04997	5.1
71.08633	36.2
79.05493	67.6
81.03426	16.6
81.07055	80.5
83.01324	8.0
83.04976	26.2
83.08614	20.7
85.02905	3.5
85.06535	6.1
91.05486	51.9
93.07047	88.6
95.04958	21.0
95.08614	46.2
96.24348	2.5
97.02869	3.5
97.06540	12.3
97.10181	7.9
99.08092	23.1
105.04523	3.9
105.07034	33.5
107.04971	16.8
107.08601	43.0
108.08894	2.9
109.06516	11.0
109.10172	15.8
111.08074	3.9
112.85607	2.8
115.05470	2.9
117.07011	10.5
119.08583	28.8
121.06487	5.6
121.10152	40.1
122.10521	3.1
123.08076	12.0
125.09628	3.9
128.06284	3.1
129.06993	6.4
131.08571	8.1
133.10114	16.6
135.08060	4.0
135.11688	44.7
137.09546	6.1
143.08563	2.7
145.10149	21.3
147.11697	6.6
149.09578	3.9
149.13280	9.7
151.11163	13.6
152.55325	2.7
153.12720	2.8
155.08565	3.5
159.11679	4.4
161.13269	12.3
163.11201	23.0
170.46687	2.5
173.09714	3.3
175.14783	3.8
177.12723	3.3
179.14311	100.0
180.14668	3.6
181.12271	4.0
209.11694	10.0
227.12851	2.7
235.16858	4.3
241.19412	5.6
259.20633	3.0
277.18616	4.7
277.21631	71.6
278.21927	5.5
283.15396	94.2
284.15543	4.2
351.25336	19.3
446.82651	2.7
543.36749	2.8
559.36212	65.5
560.36584	9.0
577.37341	9.9
577.51343	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	578.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.6
55.01878	12.3
55.05513	29.3
57.03434	20.4
57.07076	4.8
59.05010	3.2
62.41827	1.2
65.03943	3.4
67.05504	53.5
67.62494	1.3
69.07062	18.2
71.04992	5.8
79.05020	1.8
79.05145	1.1
79.05490	50.9
81.03420	10.5
81.07051	60.2
83.01340	10.1
83.04981	10.6
83.08618	17.3
85.02907	4.0
85.06555	2.2
91.04915	1.7
91.05477	29.9
91.06022	2.4
93.07040	61.3
93.62239	1.4
95.04961	10.5
95.08603	37.1
95.56466	1.3
97.06545	6.6
97.10172	4.3
98.22579	3.2
99.04459	3.0
105.04487	2.5
105.07030	22.3
107.04979	7.1
107.08595	32.9
109.06512	6.4
109.10143	15.1
111.04427	2.9
111.08107	2.9
115.05438	1.4
117.07017	11.6
119.08573	18.1
120.44202	1.3
120.69201	1.3
121.06516	3.8
121.10148	23.5
123.08067	8.4
123.11722	4.1
125.06030	2.0
125.09624	2.9
128.30934	1.3
129.07010	3.2
131.08583	11.3
133.10101	7.5
135.08037	2.6
135.11703	21.8
137.09648	2.9
145.06488	1.4
145.10112	18.6
147.08008	3.3
147.11707	6.2
149.13269	4.3
153.12747	5.7
155.08569	1.6
159.11690	5.9
161.13257	3.3
163.11177	29.3
163.14806	2.5
173.09668	4.2
173.13255	5.3
175.14905	1.7
177.16478	1.2
181.12254	4.9
187.14757	3.2
191.10686	4.5
193.12225	1.8
209.11716	10.9
227.12733	9.3
241.14478	1.7
243.21060	4.7
259.20853	1.6
261.22125	16.1
275.06213	1.3
283.15381	100.0
284.15833	5.9
299.23685	2.9
317.24774	3.3
335.25787	87.0
336.26093	5.4
346.44669	1.6
372.90436	1.4
387.11899	1.5
543.36890	32.4
544.37610	3.0
578.38318	1.8
579.39941	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	579.1681
Annotation	6,8-Di-C-rhamnopyranosylluteolin
Peak:m/z	Relative Intensity
51.39894	0.5
69.52202	1.8
69.52614	1.0
94.93031	0.9
96.70584	0.5
112.89626	0.6
113.00850	0.5
119.01926	0.7
124.81812	0.6
131.01950	1.0
143.01929	1.2
145.03494	0.5
155.01897	1.0
161.02946	1.4
170.40147	0.5
185.06657	0.9
197.06670	1.2
218.14478	0.5
221.05045	1.5
236.99936	1.7
243.32591	0.5
248.89746	1.0
275.09698	0.7
287.09689	3.7
297.00928	0.7
301.08795	1.6
303.08112	5.6
305.10718	1.2
315.04880	2.3
365.10565	1.4
399.11191	1.4
579.16919	100.0
580.17224	8.0
592.58459	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1709
Annotation	Kaempferol-3-Rhamnoside-7-Rhamnoside
Peak:m/z	Relative Intensity
53.03939	0.2
55.01863	0.3
57.03440	2.2
68.99810	0.3
69.03420	0.4
71.01360	0.2
71.04996	15.0
72.90871	0.2
73.02919	0.3
75.04463	0.4
78.38287	0.2
83.04984	0.3
84.08154	0.2
85.02908	15.1
87.04471	0.4
97.02904	0.3
97.33416	0.1
99.04483	0.2
105.03421	0.2
107.04935	0.2
109.02843	0.2
111.00803	0.7
111.04430	0.3
120.51348	0.2
121.02862	1.8
129.05479	3.0
133.02840	0.4
137.02336	0.5
147.04396	0.2
147.06517	0.3
153.01828	2.7
157.06551	0.2
165.01843	1.5
171.04428	0.2
183.02905	0.7
185.06100	0.3
203.03539	0.2
213.05463	0.9
215.79915	0.1
231.06474	0.6
241.04988	0.6
258.05347	0.8
259.06055	0.3
269.04373	0.3
287.05496	100.0
288.05823	4.6
299.05722	0.2
325.07040	0.4
329.06537	0.4
337.06763	0.2
397.09192	0.3
433.11313	5.3
434.11499	0.3
489.10690	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.4
55.05512	10.7
57.03432	3.9
57.07073	2.5
57.37898	1.9
59.08741	2.2
65.03944	2.4
66.58813	2.0
67.05507	12.0
69.03432	9.9
69.07071	5.2
69.85287	5.2
69.85696	6.7
74.10790	1.9
79.05508	14.5
81.03430	7.9
81.07054	15.5
83.04980	5.0
83.08626	3.9
85.02875	2.0
86.09698	4.9
87.10063	2.2
91.05482	18.3
93.07040	11.2
95.04962	5.2
95.08623	7.2
97.02887	2.5
97.06567	2.9
98.09731	3.4
98.22658	2.6
104.10779	3.0
105.07021	12.2
107.04951	7.3
107.08595	24.0
109.02854	2.3
109.06522	6.6
109.10155	6.7
115.05499	3.7
117.07021	5.1
119.08590	7.5
121.06544	3.4
121.10133	13.3
122.07288	5.0
123.08083	3.3
124.99983	4.1
127.03918	3.7
129.07016	3.5
131.08575	6.1
133.10132	100.0
134.10480	3.8
135.08020	8.4
135.11714	6.0
137.09616	49.3
138.09900	2.2
145.10094	5.4
147.11671	4.5
149.09586	4.4
149.13231	10.5
155.08583	2.0
157.10094	2.9
163.11263	4.2
173.13264	7.0
184.07365	18.2
185.07774	5.1
191.14323	45.5
192.14542	2.6
209.11739	4.8
209.15363	4.6
218.02721	2.3
221.81644	2.0
227.12766	3.9
233.15370	2.9
245.75986	2.5
501.52374	2.0
579.30341	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	580.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.6
55.01863	15.7
55.05515	34.7
57.03447	23.2
61.02916	7.9
67.05181	6.9
67.05511	100.0
69.03426	14.3
69.07075	55.6
70.58087	4.0
71.04989	12.5
71.07157	11.5
73.02892	5.1
79.05492	60.0
81.03425	30.2
81.07061	86.9
83.04984	8.6
83.08618	8.4
85.02906	10.0
85.06536	7.0
91.03954	4.2
91.05486	60.3
93.07043	49.1
95.04972	16.8
95.08605	49.0
97.02878	12.7
97.06537	27.7
97.10151	9.0
99.04417	5.2
105.07040	49.3
107.04961	18.2
107.08612	35.9
109.06503	5.3
109.10160	43.6
117.07011	15.6
119.08601	39.5
121.06497	7.2
121.10139	17.8
123.08063	7.6
123.11711	6.8
127.03928	5.7
128.06242	5.1
129.06996	8.6
131.08618	21.9
133.10150	30.3
135.08093	8.1
135.11690	10.7
137.09644	17.1
139.11253	5.1
143.08537	8.6
145.10129	19.4
147.11694	18.6
149.09647	24.6
149.13162	5.4
155.08580	4.6
157.10204	6.9
159.11691	14.3
161.13251	6.6
163.11209	14.5
171.10164	10.7
171.11656	3.8
172.10593	4.1
173.11723	20.9
173.13153	8.0
175.11160	5.2
177.12724	6.5
197.13200	5.0
229.14290	35.1
239.17763	5.1
243.15884	8.3
253.17943	5.7
255.15990	6.4
257.19043	10.8
269.17435	5.1
275.20090	42.6
283.15378	4.5
293.21130	5.7
349.23676	97.1
350.24078	11.6
441.06461	5.1
500.97205	4.2
580.33081	6.1
581.29297	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.9
55.01851	1.2
55.05512	3.5
55.67764	1.0
57.03445	1.1
57.07069	0.9
57.28716	0.9
60.56453	1.0
65.03961	1.1
67.05503	8.3
69.03435	4.3
69.07072	6.1
70.06603	1.3
71.04971	1.3
71.30292	1.3
77.03933	1.2
79.05087	1.0
79.05483	6.6
80.04980	1.4
81.03413	3.4
81.07052	23.5
83.04954	1.2
83.08652	1.9
85.02903	13.1
86.09679	1.0
91.05477	10.2
93.07044	14.1
95.04991	1.0
95.08611	23.3
97.02874	5.8
97.06526	5.7
97.10206	1.1
105.07029	25.3
107.08598	19.0
109.02894	2.3
109.10150	20.0
111.04486	1.2
117.07065	1.1
117.21486	0.9
119.04975	1.4
119.08596	16.6
121.10143	10.2
123.11680	7.2
123.64852	0.9
124.07610	6.0
127.03922	4.8
131.08582	1.8
133.10135	15.3
135.11705	3.2
139.11099	1.1
145.04950	6.0
145.10097	2.1
147.04410	2.2
147.08000	1.0
147.11688	23.6
148.12000	1.2
149.13235	3.6
159.04419	1.6
161.02364	1.8
161.13243	8.0
163.03914	4.2
163.06059	2.6
163.14844	1.1
165.12737	0.9
173.02330	8.3
175.14769	6.4
177.05478	1.3
183.08116	1.2
184.07384	1.6
187.03983	1.6
191.03383	1.5
201.05479	1.6
203.17952	100.0
204.18343	5.9
205.05028	1.1
215.07022	10.4
221.18953	7.5
233.08131	1.5
257.08057	2.2
259.09711	1.5
365.23404	1.3
387.50558	1.1
400.11102	1.2
401.10846	1.2
418.12180	1.6
419.11398	3.9
580.20679	15.6
581.21716	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	580.333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03442	4.7
51.63274	4.3
53.03941	17.1
55.01864	13.8
55.05509	38.1
57.03427	23.0
57.07088	5.0
61.02938	9.0
61.71725	5.1
65.03928	11.1
67.05505	100.0
69.03427	28.1
69.07068	87.2
69.54495	4.6
71.01375	6.5
71.04984	14.3
73.02915	5.0
79.05489	67.7
81.03415	50.1
81.07059	94.7
83.04993	9.9
83.08607	20.9
85.02897	21.3
85.06536	8.3
91.05481	70.6
93.07041	64.6
95.04977	21.9
95.08612	66.4
97.02897	20.2
97.06537	28.3
97.10150	16.9
98.23392	9.4
99.04468	5.8
99.08114	8.6
103.03909	7.0
105.07032	53.0
107.04964	22.8
107.08588	35.9
109.02876	14.4
109.06521	8.3
109.10173	44.4
110.10476	5.5
111.04430	12.5
111.08076	12.7
115.74799	5.3
117.06988	22.7
119.08578	38.0
121.06528	7.6
121.10139	28.9
123.08070	11.5
123.11681	9.2
125.09639	17.3
127.03914	30.2
129.07042	9.2
131.08586	16.2
133.06491	7.1
133.10115	47.8
135.08051	13.0
135.11693	17.6
137.09605	23.2
143.08607	9.5
145.10141	30.8
147.08080	6.8
147.11656	17.6
149.09647	34.8
149.13309	8.5
151.11206	8.2
157.10127	10.1
159.11723	18.1
161.13283	13.3
163.11217	18.3
171.11671	5.3
173.11752	16.4
173.13208	8.0
175.11255	7.0
177.12730	6.9
179.10622	5.0
179.14319	12.8
181.12267	5.1
183.11601	4.9
184.07352	7.5
187.11212	6.1
223.13231	4.8
229.14435	13.7
257.19037	13.0
273.18414	6.2
275.20093	63.6
299.14645	8.1
349.23831	27.7
419.24249	14.5
437.24817	5.9
563.27948	10.4
580.22028	6.7
581.29773	61.5
605.89734	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	580.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.9
53.03946	2.9
55.01880	8.3
55.05515	20.5
55.21729	0.8
57.03440	12.2
57.07074	2.7
59.04990	3.0
65.03930	1.2
67.05507	39.1
69.03410	1.1
69.07072	16.2
70.52651	1.2
70.52995	1.9
71.04986	3.2
79.05493	21.0
79.82923	1.0
81.03410	7.9
81.07061	41.2
83.01340	6.8
83.04984	8.5
83.08621	14.7
85.02900	2.1
91.05483	13.7
93.07048	25.3
94.07307	1.2
95.04980	6.0
95.08610	31.4
97.02904	1.1
97.06545	4.7
97.10167	5.5
98.23339	1.0
99.04446	2.0
99.08134	1.0
103.05450	1.3
103.61572	0.9
105.04513	1.2
105.07051	11.4
107.04954	4.0
107.08595	10.6
109.06528	5.0
109.10160	11.4
111.04435	1.9
111.08067	2.3
117.07034	6.5
119.08585	10.5
121.06479	3.0
121.10145	10.4
123.08049	5.9
123.11699	3.9
125.09655	2.1
131.08551	2.7
133.10107	3.2
135.08073	1.5
135.11691	11.1
137.09584	1.7
137.13243	2.0
143.08588	1.0
145.06488	0.9
145.10117	12.3
147.08118	1.2
147.11700	3.0
149.13255	2.2
151.02884	0.9
153.12740	3.1
155.08595	1.7
161.13304	1.0
163.11176	18.1
163.14873	1.1
164.11502	1.2
165.26643	1.1
173.09618	2.5
175.14792	1.7
181.12282	3.7
191.10677	3.2
209.11752	8.8
227.12697	5.9
245.22717	2.6
263.23666	4.1
283.15402	100.0
284.15781	4.9
337.27368	80.7
338.27756	6.0
453.33282	1.7
545.38361	32.9
546.38391	3.6
580.38953	5.8
581.39673	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.9
55.01862	6.8
55.05510	32.9
57.03437	17.2
57.07072	14.3
57.11167	2.9
59.04992	4.1
59.90255	2.8
63.30136	3.6
67.05502	55.2
69.07062	22.3
71.01331	3.6
71.05008	4.2
71.08624	10.7
79.05489	36.3
81.03412	9.9
81.07056	56.2
83.01354	9.6
83.04981	9.8
83.08603	23.6
91.05471	27.4
93.07037	38.1
95.04968	6.5
95.08596	44.0
97.02900	3.3
97.06512	7.7
97.10144	6.4
98.23363	6.5
105.07019	20.8
107.04969	5.9
107.08595	26.1
109.06530	5.3
109.10155	17.2
111.04446	3.8
117.07018	9.0
119.08625	19.1
121.10125	22.1
123.08032	4.1
123.11686	8.0
129.06972	3.8
131.08583	7.1
133.10136	14.8
135.11676	13.9
139.22696	3.3
141.12698	3.9
143.08527	4.1
145.06433	3.7
145.10121	15.1
147.11697	9.3
161.13303	5.2
163.11192	28.2
173.09729	4.5
181.12271	4.3
209.11702	7.3
227.12782	5.3
229.41209	3.6
245.22635	17.6
263.23657	9.0
273.08826	4.1
283.15387	100.0
284.15750	7.7
286.49814	3.4
337.27310	56.1
338.27322	4.3
414.87375	3.1
545.38489	18.2
546.37878	3.6
548.39874	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	581.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70484	0.8
56.96565	40.5
69.03431	1.2
70.54088	1.0
70.54420	2.2
71.95266	1.7
74.62762	1.1
81.03418	2.3
84.96034	9.9
96.92590	0.9
97.02936	1.1
98.23307	1.0
98.97585	100.0
101.00886	1.7
110.97572	26.6
112.99127	5.9
116.98627	26.9
119.01903	3.0
121.01669	2.1
124.99133	3.2
128.98610	22.7
129.02245	3.3
131.00183	4.4
131.01883	2.1
133.01680	1.1
133.03494	1.1
133.51239	0.9
134.99660	5.1
139.00677	3.4
140.00275	1.2
140.98587	3.1
141.02202	2.3
143.00177	8.4
143.01913	3.7
144.01892	1.2
144.98119	3.1
145.01680	2.3
146.99651	7.1
147.03271	2.8
147.37627	1.1
149.01233	1.7
152.98602	2.8
155.00168	6.3
155.01921	2.3
157.01724	10.8
157.02968	1.0
157.03577	1.2
158.99660	24.9
159.03288	27.2
160.98010	1.0
161.01208	5.8
161.03003	3.2
162.03163	1.1
162.99173	1.9
163.02774	2.3
170.99657	9.4
171.03358	2.3
171.05035	1.9
173.01244	13.3
173.02916	2.5
173.04868	1.3
175.02808	5.9
177.00722	20.5
177.04335	13.9
178.01201	1.3
179.02342	1.1
181.03522	1.0
182.99658	1.2
183.03297	4.1
183.04939	1.1
185.03023	1.4
185.04820	1.3
187.02774	3.1
189.00737	6.7
189.04312	1.9
191.02312	4.1
195.01813	2.0
197.01230	9.6
197.02904	2.0
197.04761	1.3
199.04562	2.9
201.00742	7.0
201.04333	17.1
201.06036	1.5
203.04041	2.5
203.05815	1.4
205.03876	1.8
213.04359	3.4
215.02274	26.7
215.04001	2.8
215.05919	3.5
216.00861	1.2
219.01768	53.6
219.05371	2.8
220.02153	1.5
221.05075	4.3
223.04904	3.2
225.04398	3.2
227.02316	2.0
229.03760	1.5
231.05272	1.3
233.03226	5.5
237.02797	66.5
237.48526	1.0
238.03203	1.7
241.05586	1.3
243.05336	7.8
245.03453	1.1
245.06998	1.5
248.51144	1.1
255.03883	4.1
257.03323	4.1
261.06604	1.3
273.06161	1.1
275.04312	3.3
287.06396	1.9
287.09772	1.1
289.09589	1.0
291.07449	3.3
294.08682	1.4
303.07422	70.7
304.07855	3.1
305.07385	1.5
310.06625	1.5
317.05197	37.7
318.04028	1.4
321.08517	67.8
322.08847	3.0
335.06479	49.0
336.06781	2.1
339.09592	1.7
344.10016	1.9
350.66928	1.0
353.07230	1.1
363.09756	5.7
381.10812	2.4
419.05469	1.4
419.11789	1.0
581.17535	90.9
582.17932	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	581.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
62.84724	1.0
70.61579	1.3
70.61893	2.8
74.59059	1.1
81.03432	1.5
81.25719	1.0
88.86229	1.3
119.04938	1.2
217.10664	1.1
303.08304	19.2
317.06366	17.6
379.45581	1.2
581.18420	100.0
582.18817	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	581.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
61.87384	0.4
62.43780	0.5
63.47650	0.4
63.84410	0.4
69.28683	2.5
95.37039	0.4
101.00887	0.6
115.99432	0.4
119.01945	0.7
124.96617	0.4
143.01923	0.8
146.48222	0.4
158.99704	0.4
159.04889	0.4
159.11681	0.4
161.02971	0.6
171.05063	0.7
173.03090	0.4
185.03053	0.5
199.04512	0.5
201.06090	0.7
203.04013	0.8
208.64053	0.4
215.04089	1.0
221.05150	1.0
257.05069	0.4
263.13528	0.4
275.32925	0.4
287.06339	0.7
301.08923	1.0
303.08203	7.7
304.09106	0.6
305.07526	0.8
317.06519	9.8
318.07178	0.7
401.12384	0.7
581.18378	100.0
581.75629	0.6
582.18665	8.7
603.17676	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.3
55.01872	3.3
55.05512	11.6
57.03444	1.3
57.07066	4.6
61.83736	1.2
65.03934	2.7
67.05180	1.9
67.05506	24.0
67.36095	1.2
69.03417	7.4
69.07073	17.4
70.44647	3.6
70.83662	1.3
77.03928	2.1
79.05499	28.7
81.03461	1.3
81.07059	32.9
83.04980	4.3
83.08633	7.6
85.06544	4.0
87.50050	1.2
91.05479	32.3
91.06010	2.0
92.38393	1.3
93.07047	42.8
95.04967	14.4
95.08611	26.8
97.06538	4.5
97.10152	2.4
103.05484	4.3
105.07034	52.9
107.04961	2.8
107.08597	35.1
109.06535	7.9
109.10159	15.6
111.08095	2.3
111.11743	3.9
115.05465	5.0
116.06173	2.0
117.07005	15.6
119.07890	0.9
119.08583	47.9
121.06488	8.8
121.10145	59.9
121.11021	3.1
123.08043	8.9
123.11720	6.0
125.05930	1.7
125.09666	3.4
128.06197	7.1
129.07027	11.8
130.07776	5.2
131.08566	24.6
133.06499	3.6
133.10130	100.0
134.10516	2.1
134.97557	1.2
135.08043	12.8
135.11710	12.2
137.09639	5.7
139.11197	3.6
141.06975	6.3
142.07762	12.5
143.08554	26.6
144.09338	3.8
145.06488	2.4
145.10121	36.0
147.08011	9.0
147.11697	13.0
149.09627	18.7
149.13293	1.8
151.07564	5.9
151.11189	2.0
153.06985	2.4
154.07768	2.8
155.08534	11.5
156.09354	9.9
157.10127	31.8
158.07288	2.4
158.10881	5.1
159.08054	9.2
159.11697	19.3
161.09602	8.2
161.13280	4.5
163.11165	5.9
163.14886	1.4
165.07025	3.4
165.09090	6.6
166.07834	1.8
167.08524	5.5
167.10680	72.2
168.09425	3.3
168.10965	2.1
169.10133	20.1
170.10892	5.5
171.08104	1.4
171.11673	22.6
172.08864	2.7
173.09673	8.5
173.13252	25.1
173.14641	2.3
175.11203	4.4
175.14799	6.1
179.08586	7.6
180.09348	3.0
181.10129	12.3
181.12250	3.0
182.10950	6.6
183.11681	16.8
184.12433	1.9
185.09650	4.5
185.13255	12.7
187.11218	6.2
187.14819	9.7
189.12660	7.0
189.16507	1.8
191.08624	1.5
191.14320	5.1
192.09326	2.8
193.10210	8.5
194.10988	3.2
195.11696	11.7
196.12476	5.5
197.09558	3.1
197.13324	13.4
198.14044	1.5
199.11206	3.1
199.14787	9.8
201.12743	3.6
201.16377	6.1
203.14310	5.7
205.10190	4.0
205.15965	3.2
206.10870	3.5
207.11739	8.3
207.13615	2.1
208.12393	4.0
209.09660	1.3
209.13290	14.6
209.15340	2.1
210.13956	2.4
211.11256	4.8
211.14827	11.3
213.12772	3.1
213.16414	4.8
215.14357	11.3
217.15913	1.7
218.10904	2.0
219.11720	4.4
220.12494	3.1
221.13268	10.1
221.15424	12.5
222.13875	2.4
223.14859	10.1
225.12782	3.5
225.16475	5.2
227.14334	3.4
227.17993	1.8
229.15910	2.8
231.11736	2.3
232.12541	3.0
233.13257	5.2
233.15396	30.0
234.14117	1.8
235.14859	6.6
236.15396	1.4
237.12717	3.1
237.16403	4.8
239.14452	3.0
239.17966	4.9
241.19545	1.6
243.11574	2.2
245.13300	4.2
246.13905	2.5
247.14764	4.0
247.17059	4.0
249.16394	4.3
251.14371	2.7
251.18015	3.2
253.15860	1.8
253.19612	3.5
255.17580	1.9
257.13165	3.2
257.19055	2.0
258.13934	1.8
259.14807	3.3
261.16467	5.1
262.17050	1.4
263.18130	2.8
265.15756	1.5
265.19513	2.0
269.19019	2.9
270.14078	1.4
271.14703	2.6
272.15628	1.5
273.16104	2.6
273.18552	5.2
275.17755	2.3
277.19504	2.5
279.17459	2.1
279.21069	2.2
281.19131	2.3
283.20447	2.6
287.17780	2.7
289.19586	1.8
291.21112	2.2
293.18918	2.2
295.20557	1.5
299.20264	3.0
301.15955	1.4
301.22037	1.8
303.17093	1.6
307.20529	1.9
311.20264	3.3
312.20935	3.0
315.21268	1.4
317.22769	1.7
323.20151	2.0
331.24109	3.3
333.22137	2.0
333.25702	2.5
341.22604	2.8
346.79138	1.6
347.23203	1.7
353.26529	2.5
359.23697	5.0
361.25342	2.0
363.23221	1.5
365.24664	2.2
373.25250	2.9
393.24225	3.6
399.27155	3.3
407.29544	3.6
441.27884	1.4
489.37003	4.5
507.20233	1.7
507.32706	2.4
525.33710	2.6
545.36987	1.8
553.40295	2.1
563.22681	4.5
563.39001	13.8
564.39960	1.4
581.24011	7.5
581.40289	75.9
582.24500	1.6
582.40442	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	581.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.4
55.01864	2.5
55.05513	16.1
57.07077	7.9
65.03931	4.8
67.05509	27.2
69.03426	11.5
69.07074	18.1
79.05499	28.4
81.03424	2.5
81.07060	39.2
83.04979	8.2
83.08612	6.2
85.06565	3.6
91.05484	39.8
93.07046	56.1
95.04971	15.7
95.08614	38.9
97.06542	8.7
103.05447	4.2
105.07031	62.7
106.07345	2.3
107.04954	3.6
107.08603	39.2
109.06569	11.1
109.10156	24.4
111.08108	2.4
115.05458	3.7
115.95766	2.0
117.07017	16.7
119.08587	57.6
121.06498	9.8
121.10146	63.5
123.08074	14.9
123.11716	11.5
125.06020	3.0
125.09630	2.1
128.06250	6.9
129.07010	13.4
130.07877	4.1
131.08565	28.5
133.06522	5.5
133.10126	57.6
135.08041	10.9
135.11690	17.4
137.09647	10.0
139.11197	3.6
141.07021	6.4
142.07780	15.0
143.08562	26.5
144.09329	5.4
145.06471	3.8
145.10138	42.3
147.08070	17.9
147.11670	19.6
149.09608	18.2
149.13231	3.3
151.07529	17.4
151.11200	3.3
152.06165	2.1
153.06917	2.8
154.07835	3.8
155.08536	11.9
156.09372	12.7
157.10141	39.1
158.10918	5.3
159.08099	8.3
159.11731	22.7
161.09630	10.3
161.13290	6.0
163.11243	8.2
165.07001	6.7
165.09129	26.5
167.08575	7.4
167.10683	43.9
168.09357	5.1
169.10144	21.3
170.10852	5.1
171.08195	2.7
171.11707	24.6
173.09695	8.1
173.13277	22.1
175.11287	4.7
175.14864	7.8
177.12738	2.6
179.08549	11.3
180.09338	6.0
181.10158	12.8
181.12207	6.4
182.10918	7.0
183.11693	22.2
184.12450	4.8
185.09628	6.6
185.13264	16.2
187.11278	6.9
187.14777	13.7
189.12788	9.6
191.08609	2.6
191.14354	4.4
192.09293	3.3
193.10193	7.8
193.12114	3.1
194.10927	8.0
195.11702	15.0
196.12515	5.8
197.09625	2.9
197.13258	16.3
198.13956	3.3
199.11162	3.6
199.14894	9.4
201.16440	3.9
203.14317	13.5
205.10213	4.2
206.10954	5.4
207.11720	15.4
207.13818	7.5
208.12471	5.5
209.13309	16.5
209.15164	3.6
211.11205	7.4
211.14867	11.5
213.12813	6.0
213.16428	7.1
215.14417	5.9
217.10172	3.3
218.11101	2.7
219.11676	3.9
220.12404	2.5
221.13309	7.8
221.15341	46.6
223.14914	8.9
225.12704	5.5
225.16353	5.6
227.14325	4.9
230.10799	3.1
233.13319	5.4
233.15457	15.7
234.14136	3.7
235.14900	6.1
237.12793	4.6
237.16441	6.3
239.14362	2.6
239.18073	4.4
245.13332	4.8
246.13928	3.1
247.14877	8.2
249.16452	5.1
251.14529	2.8
251.17982	5.9
253.15784	3.4
257.13257	3.2
258.13925	3.1
259.14703	3.3
259.17072	3.5
260.15701	3.6
261.16443	6.0
263.14413	3.3
263.17908	3.2
273.16418	4.7
275.17804	2.9
277.16034	4.0
277.19312	2.3
279.17310	3.1
285.16281	4.3
286.19449	2.7
287.20288	4.3
289.19659	2.8
291.17297	3.5
293.19360	2.2
297.16116	2.3
299.20563	3.2
312.20984	8.9
317.18967	2.3
317.23245	2.3
327.21411	2.4
347.23547	2.9
351.23483	3.3
358.81671	2.2
359.23663	3.9
373.25311	6.3
393.24100	3.1
401.28436	2.7
553.40564	3.7
563.39191	17.5
581.40076	100.0
582.40015	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	581.399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02399	2.2
53.03944	6.8
55.01863	2.8
55.05511	11.8
57.07083	7.1
59.04996	2.5
60.88996	1.8
65.03943	2.1
65.96988	1.6
67.05513	22.9
69.03430	10.8
69.07074	22.4
79.05497	22.2
81.03410	2.0
81.07059	38.7
82.07377	2.2
83.04983	7.2
83.08628	8.2
85.06520	3.0
91.05477	34.7
93.07048	61.5
95.04978	16.7
95.08607	29.3
97.06538	7.7
103.05466	3.9
105.07037	58.3
107.08589	39.5
107.09280	2.3
109.06506	9.9
109.10160	22.5
111.04440	2.2
111.08056	2.5
111.11727	2.5
115.05495	3.3
117.07033	15.1
119.08586	51.0
120.08891	2.2
121.06527	11.1
121.10150	78.8
123.08073	12.9
123.11752	10.6
125.09641	4.7
128.06239	7.2
129.07005	11.7
130.07793	5.0
131.08565	31.5
133.06525	3.6
133.10132	100.0
135.08080	13.3
135.11690	18.9
137.09651	8.7
139.11198	4.6
141.07065	4.5
142.07787	14.0
143.08578	25.3
144.09267	3.0
145.10132	45.2
147.08067	16.2
147.11694	13.9
149.09622	22.6
149.13300	2.1
151.07581	9.5
154.07706	2.2
155.08582	13.1
156.09377	11.6
157.10149	37.7
158.07309	2.2
158.10880	6.7
159.08052	11.0
159.11690	24.3
160.08789	2.2
161.09624	8.7
161.13295	7.5
163.11217	5.5
165.06990	6.6
165.09116	22.2
167.08537	6.7
167.10687	71.0
168.09381	3.6
169.10118	18.6
170.10962	8.2
171.08057	2.9
171.11693	30.8
173.09616	10.7
173.13237	27.3
175.11253	6.4
175.14877	8.1
176.15138	2.2
179.08572	5.8
180.09378	2.7
181.10143	10.4
181.12306	3.4
182.10960	5.3
183.11699	20.3
184.12396	5.1
185.09592	4.3
185.13229	13.9
187.11253	7.0
187.14772	11.4
189.12767	8.1
191.14401	5.3
192.09264	2.3
193.10104	9.4
194.10936	7.1
195.08090	2.8
195.11670	13.3
196.12424	4.4
197.09581	2.4
197.13264	13.2
199.11244	3.4
199.14804	13.2
201.12762	4.3
201.16469	7.5
203.14267	10.0
205.10222	3.3
206.10925	5.8
207.11732	12.1
207.13548	2.9
208.12521	3.5
209.13290	15.1
209.15138	3.8
211.11259	3.6
211.14818	10.6
212.15547	2.1
213.12773	5.2
213.16476	5.3
215.14426	8.9
215.17960	2.0
217.10066	2.2
218.10719	2.0
219.11714	6.3
220.12477	5.2
221.13292	10.6
221.15425	41.1
222.13910	3.3
222.15819	2.1
223.11227	2.8
223.14751	9.2
224.15567	2.2
225.12759	5.4
225.16412	6.8
227.14299	3.6
230.10913	1.8
231.11728	4.9
232.12665	2.3
233.13202	5.9
233.15338	37.9
234.13895	3.5
235.14883	8.7
237.12872	3.3
237.16431	6.0
239.14403	4.0
239.18004	5.2
241.19566	5.2
243.11659	3.7
245.13315	5.8
246.14046	3.1
247.14836	6.4
247.17094	4.3
248.15669	3.3
249.16417	6.2
251.18022	4.0
257.13013	2.6
258.14145	3.6
259.14859	6.6
260.15533	2.9
261.12659	2.5
261.16473	6.7
263.17871	4.3
267.17514	2.3
269.19296	3.3
271.17151	2.2
273.16092	3.2
275.17844	2.9
277.16071	2.2
277.19360	2.4
281.19019	2.2
289.19522	3.6
291.17276	2.2
293.19055	4.5
295.20621	2.9
311.20068	4.7
321.22223	2.5
331.24255	2.6
341.22488	2.8
343.24374	2.6
345.21951	2.1
359.23807	7.4
361.25287	3.6
373.25412	5.7
393.24478	7.5
399.26837	5.3
407.29514	4.7
459.28790	2.7
525.33582	2.4
553.40460	4.9
563.39172	9.9
581.24561	5.8
581.39911	97.7
582.40076	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	581.4193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.8
53.03943	10.6
55.01871	9.3
55.05512	24.8
57.03436	9.8
57.07078	4.2
59.05003	0.9
65.03949	4.8
67.05504	61.5
68.05848	1.5
69.03436	3.0
69.07066	28.1
71.04996	3.4
79.05490	88.7
80.05818	2.7
80.06270	1.1
80.83640	1.0
81.03423	5.5
81.07053	67.9
82.07410	1.2
83.04982	7.4
83.08623	12.5
85.06533	5.4
91.05479	79.6
93.07043	90.3
94.07410	1.3
95.01340	8.1
95.04965	17.3
95.08601	42.0
96.08945	1.1
97.06526	14.5
97.10176	4.4
99.04477	4.5
99.08086	3.0
102.84580	1.1
103.05504	2.0
105.04539	4.3
105.07031	73.4
106.07365	1.3
107.04952	15.7
107.08595	26.0
107.09292	1.8
109.06518	10.0
109.10152	16.4
111.08103	4.5
115.05505	2.2
117.07017	23.3
119.08576	51.5
121.06526	4.0
121.10142	43.8
123.08063	5.2
123.11728	4.4
125.09665	3.2
128.06245	2.3
129.07010	6.8
130.07819	1.8
131.07579	1.9
131.08563	37.5
131.09483	2.3
132.08997	1.2
133.06554	1.2
133.10124	45.0
135.08046	6.9
135.11678	15.4
137.09647	4.8
139.07547	1.0
139.11221	2.1
141.07037	3.1
142.07782	1.4
143.08566	8.2
144.09328	2.4
145.06462	1.2
145.10114	32.4
147.08084	2.0
147.11685	20.9
149.09593	6.1
149.13292	3.4
151.11244	2.5
153.12804	2.7
155.08533	2.2
156.09380	1.3
157.10121	7.4
159.08055	2.3
159.11702	17.9
161.09656	2.2
161.13208	6.8
163.11217	4.4
163.14877	2.1
165.09151	2.4
165.12834	1.5
167.08565	1.3
169.10173	4.7
171.11642	5.3
173.13252	8.6
175.11238	2.2
175.14908	3.9
177.12790	4.2
179.14319	14.2
183.11719	3.9
185.13298	4.7
187.11226	2.5
187.14877	2.5
191.14310	1.1
195.11900	1.8
195.13895	1.2
197.13336	4.5
199.14868	1.6
201.16377	7.3
203.14471	2.7
209.13318	2.5
209.15273	1.4
211.14804	2.3
213.16516	1.1
215.18056	2.7
219.17430	100.0
220.17879	4.2
221.13312	2.1
225.91048	1.1
233.15468	3.3
239.18015	1.7
247.20647	2.1
252.16092	2.4
257.19022	9.1
275.20041	73.1
276.20474	3.7
293.21204	4.8
307.22763	1.5
326.19516	1.4
349.19714	1.4
349.23657	2.7
351.94528	1.2
401.93005	1.1
444.30127	1.1
448.87689	1.3
477.78397	1.2
563.39514	1.3
581.41736	64.6
582.42084	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	581.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04262	1.1
53.03943	4.3
55.01881	2.5
55.05512	21.6
57.03442	5.0
57.07078	3.4
59.04996	1.9
65.03945	3.2
65.67378	1.2
67.05506	33.0
67.05841	2.7
69.03431	3.8
69.07068	21.4
71.04996	2.9
71.08641	2.2
71.28270	1.5
71.67690	1.2
79.05493	28.6
79.05905	1.9
81.03440	1.6
81.07056	39.3
83.04979	3.3
83.08619	10.9
85.06548	2.4
91.05481	28.1
93.07037	38.2
95.04969	8.5
95.08604	27.5
97.06556	6.8
97.10188	5.0
103.05475	1.5
105.04543	3.1
105.07029	34.0
107.08590	29.8
109.06547	4.1
109.10155	16.9
111.08079	1.6
113.09663	1.3
115.05460	3.0
117.07021	13.7
119.08582	32.5
121.06537	3.4
121.10143	29.0
123.08103	5.6
123.11718	5.8
125.09647	2.5
128.06261	4.9
129.07005	16.3
131.08566	22.0
133.06558	2.8
133.10127	46.8
134.10461	1.7
135.08084	7.2
135.11693	13.0
137.09564	2.8
137.13237	1.6
139.07571	1.9
139.11215	1.7
141.07007	9.5
142.07776	8.0
143.08543	22.2
143.09468	1.8
144.09309	2.8
145.06514	1.9
145.10115	30.9
145.11253	1.7
147.08083	5.3
147.11674	13.1
149.09619	9.9
149.13293	3.4
151.07597	2.3
153.07024	3.4
154.07838	3.2
155.08536	19.3
156.09343	5.0
157.10117	27.3
158.10977	4.0
159.08058	3.5
159.11678	20.5
159.12840	1.9
161.09706	3.8
161.13258	7.0
163.11159	1.9
163.14777	1.9
165.07056	3.8
165.09206	3.5
166.07788	2.0
167.08572	9.5
167.10683	23.6
168.09393	4.5
169.10127	25.0
170.10820	2.1
170.25989	1.3
171.11702	22.2
173.09656	3.6
173.13243	16.5
175.11229	2.1
175.14853	6.2
179.08607	5.0
180.09370	3.0
181.10121	14.0
182.10941	4.2
183.11690	18.8
184.12431	1.6
185.09683	2.0
185.13210	17.0
187.11185	1.9
187.14815	7.3
189.12798	3.1
189.16446	3.2
191.14436	1.7
192.09496	1.7
193.10156	7.9
194.10976	3.3
195.11668	16.3
196.12505	3.4
197.09714	2.2
197.13272	17.0
199.11185	1.8
199.14830	10.7
201.12737	2.3
201.16420	4.1
203.14442	3.3
205.10146	3.3
206.10934	3.2
207.11763	9.3
207.13655	2.7
208.12497	3.0
209.13234	16.2
210.13971	2.2
211.11278	4.1
211.14809	13.1
213.12852	2.7
213.16451	5.4
215.14424	4.4
215.17990	1.8
219.11708	3.3
221.13280	7.7
221.15460	7.2
222.13924	1.8
223.14806	9.2
225.12822	2.5
225.16396	8.8
227.14348	2.8
227.18097	5.0
233.13260	3.5
233.15442	9.3
235.14810	7.1
237.12817	2.2
237.16373	6.4
239.14296	2.3
239.18047	7.2
240.38397	1.3
245.13257	1.4
248.15627	1.7
249.16370	3.4
251.18112	3.9
253.19662	3.1
259.14951	2.6
261.16507	2.3
263.18076	4.2
265.19666	4.5
267.17502	2.1
267.21054	2.0
269.18973	2.1
273.16138	1.8
273.18668	1.9
275.17847	2.9
279.21085	2.0
281.19067	2.1
283.20767	1.6
289.19650	1.9
293.19077	2.1
295.20648	2.1
299.20306	1.9
309.22174	1.8
311.20166	1.8
321.22211	1.7
335.23703	2.5
337.25037	2.3
351.23105	1.7
351.26978	2.0
359.23523	2.4
365.28668	1.7
391.29953	2.7
407.29608	3.2
419.29755	3.8
433.31696	2.5
471.36563	3.2
483.34528	1.5
489.37268	14.1
507.38562	3.9
545.39392	1.9
553.39594	1.8
563.40399	12.5
581.41724	100.0
582.41803	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	582.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07440	4.5
53.03931	9.7
53.45332	4.5
55.01866	20.1
55.05507	37.7
57.03433	30.1
57.07060	7.5
65.03958	7.1
67.05503	67.1
69.03434	12.1
69.07071	36.3
70.99258	5.1
71.04994	11.7
71.08614	6.4
71.28618	5.7
72.55184	5.4
79.05066	8.2
79.05493	100.0
81.03405	23.5
81.07053	69.7
82.07389	7.2
83.01339	10.5
83.04978	19.7
83.08613	22.6
85.66647	5.1
91.05475	88.3
93.07048	91.3
95.04967	32.0
95.08620	49.7
97.06512	23.4
97.10183	8.1
99.08064	8.4
105.04491	5.7
105.07026	66.4
106.07351	8.6
107.04941	24.9
107.08600	53.9
109.06516	18.6
109.10152	24.0
111.08067	5.8
113.05962	5.5
115.05453	7.3
117.07007	34.8
119.08583	44.1
121.06482	7.6
121.10142	59.6
123.08058	21.5
123.11691	5.6
125.09682	7.4
129.06998	8.7
131.08585	36.1
133.10127	51.8
134.10435	9.9
135.07140	6.8
135.08008	33.6
135.11693	22.6
137.09625	14.3
141.07004	9.3
142.07787	7.8
143.08548	20.2
145.10138	57.3
146.10416	9.9
147.08076	8.7
147.11708	13.8
149.09630	40.1
151.07593	10.0
155.08582	12.1
157.10155	24.4
158.10637	7.5
159.08055	7.3
159.11688	20.6
161.09639	10.2
163.11278	25.8
165.09186	7.8
167.10788	26.7
168.10991	7.3
169.10132	22.6
171.11661	9.6
172.12057	5.8
173.09628	12.6
173.13249	15.7
181.10010	8.2
181.12259	5.2
183.11656	14.4
184.12047	5.6
185.09383	5.1
185.13226	10.0
187.11105	6.2
187.14883	11.1
189.12732	5.4
193.10066	5.9
196.12279	6.1
197.13316	9.4
199.09567	8.8
201.16368	8.2
207.11729	7.9
209.11592	9.3
209.13332	7.6
211.14822	16.1
215.14362	6.2
220.12282	5.3
221.15300	5.6
227.12810	28.8
229.15907	21.5
233.15274	8.3
234.15800	9.5
241.14301	10.1
246.13853	9.5
247.16988	17.5
253.15579	5.1
255.11977	6.0
257.19061	6.3
267.77441	4.9
283.15366	75.8
284.15347	7.9
321.20605	16.1
395.13690	6.0
397.08606	5.3
435.23694	10.9
449.25345	52.4
529.31250	8.2
547.32410	7.9
582.40198	59.9
583.40179	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	582.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07440	4.5
53.03931	9.7
53.45332	4.5
55.01866	20.1
55.05507	37.7
57.03433	30.1
57.07060	7.5
65.03958	7.1
67.05503	67.1
69.03434	12.1
69.07071	36.3
70.99258	5.1
71.04994	11.7
71.08614	6.4
71.28618	5.7
72.55184	5.4
79.05066	8.2
79.05493	100.0
81.03405	23.5
81.07053	69.7
82.07389	7.2
83.01339	10.5
83.04978	19.7
83.08613	22.6
85.66647	5.1
91.05475	88.3
93.07048	91.3
95.04967	32.0
95.08620	49.7
97.06512	23.4
97.10183	8.1
99.08064	8.4
105.04491	5.7
105.07026	66.4
106.07351	8.6
107.04941	24.9
107.08600	53.9
109.06516	18.6
109.10152	24.0
111.08067	5.8
113.05962	5.5
115.05453	7.3
117.07007	34.8
119.08583	44.1
121.06482	7.6
121.10142	59.6
123.08058	21.5
123.11691	5.6
125.09682	7.4
129.06998	8.7
131.08585	36.1
133.10127	51.8
134.10435	9.9
135.07140	6.8
135.08008	33.6
135.11693	22.6
137.09625	14.3
141.07004	9.3
142.07787	7.8
143.08548	20.2
145.10138	57.3
146.10416	9.9
147.08076	8.7
147.11708	13.8
149.09630	40.1
151.07593	10.0
155.08582	12.1
157.10155	24.4
158.10637	7.5
159.08055	7.3
159.11688	20.6
161.09639	10.2
163.11278	25.8
165.09186	7.8
167.10788	26.7
168.10991	7.3
169.10132	22.6
171.11661	9.6
172.12057	5.8
173.09628	12.6
173.13249	15.7
181.10010	8.2
181.12259	5.2
183.11656	14.4
184.12047	5.6
185.09383	5.1
185.13226	10.0
187.11105	6.2
187.14883	11.1
189.12732	5.4
193.10066	5.9
196.12279	6.1
197.13316	9.4
199.09567	8.8
201.16368	8.2
207.11729	7.9
209.11592	9.3
209.13332	7.6
211.14822	16.1
215.14362	6.2
220.12282	5.3
221.15300	5.6
227.12810	28.8
229.15907	21.5
233.15274	8.3
234.15800	9.5
241.14301	10.1
246.13853	9.5
247.16988	17.5
253.15579	5.1
255.11977	6.0
257.19061	6.3
267.77441	4.9
283.15366	75.8
284.15347	7.9
321.20605	16.1
395.13690	6.0
397.08606	5.3
435.23694	10.9
449.25345	52.4
529.31250	8.2
547.32410	7.9
582.40198	59.9
583.40179	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	582.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56068	2.4
51.02363	2.3
52.35585	2.2
53.03940	7.1
55.05508	9.1
57.07069	9.1
65.03935	4.1
67.05509	20.1
67.81507	2.3
69.03423	8.5
69.07069	13.4
69.81074	9.4
77.03935	4.9
79.05489	29.4
81.07054	45.3
83.04992	7.0
83.08631	5.6
85.06544	5.8
91.05479	50.6
93.07043	45.9
95.04970	75.1
95.05565	5.1
95.08608	26.0
97.06534	4.8
103.05448	6.4
105.04562	3.2
105.07033	89.3
107.04960	5.1
107.08598	53.1
109.06492	12.9
109.10162	19.3
111.08075	6.8
115.05463	4.9
117.07031	32.8
119.04919	4.9
119.08584	90.4
120.09476	3.5
120.67953	2.2
121.06544	11.7
121.10146	47.6
122.07281	7.7
122.10493	2.3
123.08079	17.0
123.11708	5.6
128.06203	17.0
129.06996	24.6
130.07770	9.2
131.08569	53.6
132.09358	4.9
133.06476	9.0
133.10136	39.6
135.08051	27.8
135.11676	12.9
137.09547	5.5
138.10368	5.1
141.06996	8.9
142.07787	25.8
143.07449	5.5
143.08559	87.4
144.09322	13.7
145.06479	5.6
145.10118	87.9
146.07239	2.7
146.10593	3.1
147.08040	17.4
147.11684	20.5
148.08804	5.9
149.09634	13.6
151.11214	3.0
153.07013	7.5
154.07793	8.5
155.08557	29.8
156.09341	25.4
157.10127	67.7
158.07274	3.5
158.10916	19.4
159.08057	19.5
159.11673	33.9
160.08813	3.0
161.09604	25.9
161.13295	4.0
163.11198	5.7
165.06992	9.9
166.07773	3.7
167.08586	16.1
167.10660	8.6
168.09314	12.1
169.10135	45.4
170.10863	11.4
171.08080	4.5
171.11690	45.5
172.12361	5.1
173.09630	25.2
173.13245	22.5
174.10406	2.8
174.93774	2.7
175.11165	11.8
175.14775	3.2
177.12828	3.1
178.07718	3.6
179.08542	20.6
180.09303	10.3
180.93031	2.3
181.10110	32.2
182.10857	15.2
183.08009	4.4
183.11691	46.3
184.12413	6.9
185.09628	12.5
185.13220	17.7
186.10387	3.3
187.11153	14.1
187.14848	6.8
188.11987	5.9
189.09113	6.8
189.12735	13.8
191.14297	14.8
192.09311	9.8
193.10118	23.1
194.10838	14.4
195.08066	3.8
195.11700	35.7
196.12402	8.5
197.09601	10.9
197.13278	36.1
198.13974	6.7
199.11172	22.2
199.14850	13.1
200.11928	3.8
201.12738	10.0
203.08540	3.0
203.14285	8.2
204.09296	2.7
205.10144	10.5
206.10896	9.8
207.11748	26.5
208.12431	9.9
209.09647	4.1
209.13240	33.5
210.10390	6.0
210.13957	6.5
211.11214	19.3
211.14743	18.8
212.11859	5.0
213.12793	12.3
213.16464	6.7
214.13559	3.7
215.10817	2.8
215.14301	4.8
216.09387	3.7
217.10066	7.8
217.12044	3.3
217.15869	5.7
218.10944	4.8
219.11693	10.7
220.12503	10.0
221.13304	18.3
222.13968	6.8
223.11183	7.0
223.14839	25.2
224.11887	3.3
225.12766	18.7
225.16348	5.7
227.14297	19.7
229.10187	3.0
229.12306	3.8
229.15913	2.7
230.10918	3.2
231.11678	11.2
231.13812	3.3
232.12515	8.3
233.13283	14.0
234.13998	4.6
235.14847	13.3
237.12793	8.3
237.16434	5.8
238.13496	2.7
238.17155	3.4
239.14185	6.8
239.17924	5.9
241.15947	6.0
243.11623	3.2
244.12491	3.9
245.13293	10.1
246.14026	6.1
247.10966	2.7
247.14842	16.0
248.15543	4.6
249.12772	4.9
249.16393	10.6
250.13474	2.5
251.14272	6.6
251.17848	3.2
253.15883	11.7
255.11739	3.1
255.17345	6.6
257.13269	2.8
257.18915	3.3
258.13956	3.8
259.14755	6.2
261.12924	2.8
261.16382	9.4
263.14368	6.0
263.17859	6.1
265.15921	8.4
269.13351	3.5
269.19141	2.6
271.14594	3.6
271.17062	7.6
273.18549	87.2
275.14453	5.4
275.17786	4.8
277.15973	4.8
277.19339	3.4
278.16678	3.0
279.17279	5.0
281.19055	5.1
283.14743	3.9
286.19421	5.2
287.17722	5.8
289.15869	12.1
289.19244	3.2
291.17657	6.0
291.21082	8.5
292.18204	2.5
299.20132	30.2
300.20758	3.6
301.15833	2.9
301.19507	4.2
305.18918	3.9
307.20532	4.0
309.21902	3.4
317.18979	3.0
319.20566	9.8
325.21640	5.4
331.20496	3.9
333.21985	3.3
337.21603	30.6
338.22025	3.8
345.22290	3.3
351.23132	6.4
352.23978	100.0
353.24493	7.6
357.22006	3.0
363.23221	10.6
365.24704	12.6
376.24384	2.9
429.28006	6.7
434.27988	6.6
443.29373	3.4
444.30151	46.8
445.30780	9.6
446.31531	2.7
490.34286	15.5
502.33575	2.6
582.40643	61.6
583.41113	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	582.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76912	2.2
51.02378	3.3
52.87694	2.5
53.03945	4.3
55.05520	12.7
57.07062	7.2
63.13478	2.8
65.03944	4.4
67.05511	25.0
69.03422	7.4
69.07071	21.8
70.78690	5.3
71.08604	3.3
73.49834	2.4
79.05500	32.7
81.07061	38.3
82.02165	2.3
83.04976	6.2
83.08620	8.0
85.06532	4.0
87.43551	2.4
91.05478	49.1
93.07044	53.4
95.04966	67.3
95.05554	3.9
95.08607	31.6
97.06530	8.2
97.10117	3.0
98.12129	2.5
103.05492	5.1
105.07030	88.9
106.07858	3.7
107.04961	4.1
107.08611	43.4
109.05857	2.3
109.06531	11.2
109.10149	21.4
111.08092	3.1
115.04076	2.4
115.05467	12.9
116.06254	4.5
117.07024	31.2
118.07822	3.7
119.04937	5.1
119.08587	100.0
120.09428	2.6
121.06490	13.4
121.10149	46.4
123.08074	39.5
123.11714	5.7
125.09721	2.8
128.06221	11.3
129.07025	24.2
130.07776	11.8
131.08574	55.7
133.06525	7.5
133.09212	4.5
133.10129	49.6
135.08035	18.0
135.11685	17.1
137.09631	10.1
138.10399	13.4
139.11130	3.8
141.07018	12.7
142.07802	18.5
143.08557	53.9
144.09335	9.7
145.06514	6.7
145.10127	85.1
146.07271	5.4
147.08093	14.2
147.11678	17.5
148.08823	4.8
149.09718	13.9
149.13226	4.0
151.11156	7.4
153.06984	5.2
155.08569	18.8
156.09381	16.5
157.10139	52.7
158.07304	2.8
158.10875	5.7
159.08076	37.2
159.11693	38.5
160.12140	2.7
161.09593	20.9
161.13281	7.4
163.11240	5.4
165.06984	8.4
166.07768	6.2
167.08582	13.6
167.10710	3.2
168.09363	8.1
169.10126	31.2
170.10902	10.1
171.08121	4.6
171.11710	27.6
172.08841	7.3
172.12442	3.2
173.09647	16.7
173.13246	20.1
174.10397	3.3
175.11218	6.1
175.14809	12.0
178.07736	3.2
179.08536	15.6
180.09380	6.7
181.10146	23.4
182.10922	10.2
183.08118	5.8
183.11671	31.4
184.12419	4.3
185.09633	14.5
185.13307	17.4
186.10306	4.7
187.11198	15.3
187.14804	11.4
189.09181	2.9
189.12852	12.4
191.08488	2.7
191.14355	10.7
192.09264	4.6
193.10156	20.9
194.10933	9.5
195.11682	29.6
196.09023	4.0
196.12495	8.3
197.09648	10.3
197.13245	27.4
198.10304	5.5
199.11176	17.6
199.14789	9.9
201.12776	13.9
201.16513	3.4
203.14310	4.3
205.15881	2.8
206.10936	6.8
207.11736	21.8
207.13545	4.5
208.12474	10.0
209.09656	5.1
209.13234	23.3
210.10405	6.5
210.13962	6.4
211.11148	18.6
211.14763	14.6
212.12007	5.4
213.12849	15.5
213.16534	4.2
215.14368	5.0
218.10851	3.7
219.11670	11.3
220.12425	9.5
221.13281	13.5
221.15294	4.5
222.14012	5.0
223.11212	18.4
223.14810	17.2
224.11937	7.5
225.12680	17.4
225.16339	6.3
226.13374	4.4
227.14360	13.2
230.10973	3.1
231.11691	5.1
231.32565	2.5
233.13223	10.1
233.15404	5.1
234.14079	6.2
235.11165	6.1
235.14899	12.3
236.11795	4.3
237.12798	14.1
237.16359	7.0
238.13484	6.4
239.14311	11.1
239.17999	11.2
240.15103	6.1
241.15886	5.9
243.11653	3.9
244.12326	4.6
245.13298	7.2
246.13928	3.8
246.60912	2.6
247.14882	8.6
249.12589	5.6
249.16396	5.2
250.16826	3.0
251.14333	9.9
251.17986	4.9
253.15952	10.2
253.19695	2.8
255.17484	4.7
257.19125	7.7
259.14801	6.9
261.12836	4.8
261.16425	5.9
263.14374	6.5
263.17947	5.1
265.15881	7.2
265.19452	6.1
267.17456	4.4
268.18259	2.9
271.14697	3.0
273.16205	3.8
273.18597	27.1
275.14392	3.7
275.17996	2.7
277.16031	7.0
278.16705	3.0
279.17300	5.5
281.19067	7.2
283.15250	4.0
283.20422	3.8
285.16022	3.1
286.19238	3.3
287.20001	3.0
289.15872	7.2
289.19223	2.8
291.17502	6.1
291.20834	2.7
293.19046	3.2
296.21390	3.4
299.20087	38.1
300.20685	3.3
301.19482	4.0
305.19046	5.4
317.19092	3.4
319.20615	5.4
325.21469	7.7
333.22110	3.2
337.21692	15.7
338.22327	3.3
339.23398	3.6
339.28867	4.2
351.23059	8.2
352.24005	46.3
353.24542	7.8
363.23410	12.9
364.24149	3.0
365.24841	14.3
377.24814	5.4
378.25482	3.3
379.26309	4.0
389.24307	3.2
429.27722	9.4
443.29324	7.6
444.30167	47.0
445.30939	24.3
469.30350	2.7
490.34470	30.1
491.34692	4.1
540.77057	2.8
547.39868	4.1
564.39105	3.0
582.40674	84.2
583.41351	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	582.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	9.5
57.07081	5.3
59.05009	2.4
65.03933	3.1
67.05501	10.8
69.03445	2.9
69.07072	11.3
70.95560	4.6
79.05485	13.8
81.07057	18.7
83.04995	2.1
83.08617	7.0
91.05472	21.6
93.07038	23.5
95.04971	34.2
95.08607	17.1
97.06511	4.6
105.07029	37.3
107.04976	2.4
107.08585	29.0
107.40026	2.0
109.06501	7.1
109.10161	9.9
117.06989	12.4
119.08576	46.3
121.06524	7.8
121.10151	26.6
122.07309	2.8
123.08082	10.2
123.11717	7.1
128.06244	9.4
129.07004	13.6
130.07808	3.5
131.08565	28.2
132.09315	2.0
133.06538	3.0
133.10106	20.7
135.08049	15.3
135.11710	11.5
137.09634	4.4
138.10458	2.5
141.06979	4.4
142.07790	10.2
143.08554	43.2
144.09340	7.9
145.06528	2.3
145.10123	43.4
147.08073	9.6
147.11723	11.4
149.09621	5.6
151.11276	2.5
154.07620	2.2
155.08517	11.7
156.09346	13.8
157.10118	38.1
158.10928	8.0
159.08052	11.2
159.11708	15.5
161.09633	13.1
163.11163	4.1
165.06937	5.0
166.07744	3.9
167.08575	7.9
167.10614	4.6
168.09386	3.5
169.10097	18.5
170.10902	7.0
171.08104	2.6
171.11665	23.3
172.08852	2.8
173.09604	14.3
173.13261	12.0
175.11128	5.8
175.14851	2.8
179.08595	6.9
180.09361	6.3
181.10114	16.9
182.10974	4.3
183.11696	20.4
185.09633	8.9
185.13260	10.5
186.10374	3.9
187.11240	9.6
187.14754	5.2
188.12006	5.5
189.09200	3.4
189.12656	10.8
191.14349	9.1
192.09326	3.7
193.10214	12.0
194.10883	6.3
195.08070	2.7
195.11684	22.9
196.12395	6.5
197.09682	4.2
197.13239	17.1
198.13850	3.8
199.11186	10.4
199.14783	10.8
200.11984	3.8
201.12799	7.7
201.16492	3.1
203.14302	7.6
205.10172	3.2
206.10870	4.6
207.11641	16.5
208.12468	6.3
209.13271	16.7
210.10359	2.5
210.14005	6.4
211.11192	7.9
211.14885	12.9
213.12726	11.2
213.16457	4.3
214.13713	3.2
215.14371	6.5
217.10139	4.2
217.12111	2.6
219.11681	5.5
220.12421	3.8
221.13216	14.2
222.14029	4.8
223.11226	4.0
223.14854	11.7
224.11996	3.3
225.12749	8.9
225.16463	2.7
225.56949	2.2
226.13620	2.4
227.14212	15.4
231.11707	6.0
233.13261	6.9
235.14792	9.1
236.15764	2.2
237.16400	4.0
239.14325	5.8
239.18015	6.2
241.15863	3.2
245.13220	7.8
245.15459	2.6
247.14722	4.7
248.15440	4.2
249.16370	4.7
251.14174	4.9
253.15939	7.1
255.17471	4.8
259.14795	3.0
261.16489	3.9
263.14352	2.4
263.17966	3.0
265.15955	6.4
271.17001	7.0
273.18542	68.5
274.19168	4.2
275.14362	3.4
275.17807	3.0
277.15985	4.4
277.19434	6.0
282.19339	2.5
286.19177	4.6
289.15930	8.9
291.17770	4.6
291.21091	9.2
299.20139	23.7
300.20694	6.3
309.22122	4.0
311.20166	3.9
319.20517	8.3
325.21680	3.6
333.22156	3.3
334.22946	3.7
337.21588	27.9
338.22083	5.3
339.23233	3.6
345.22095	3.2
351.23193	6.8
352.23944	100.0
353.24451	15.8
357.21985	4.4
363.23163	7.1
365.24878	10.3
367.01199	2.3
376.23892	6.5
401.28693	2.9
429.27533	4.1
434.27911	5.6
444.30295	46.1
445.30780	10.7
490.34500	12.8
526.34167	2.7
582.31647	3.1
582.40625	51.0
583.41138	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	582.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	3.5
51.19759	3.2
53.03956	10.9
55.01872	12.2
55.05511	54.0
57.03452	24.7
57.07075	22.9
59.04980	5.2
65.03931	5.8
67.05503	55.2
69.03426	8.9
69.07068	66.3
71.04998	7.9
71.08627	8.3
79.05487	60.2
81.03425	7.3
81.07055	73.2
83.01360	14.3
83.04984	15.6
83.08613	41.2
85.06535	7.7
91.05480	71.0
92.41235	3.1
93.07040	87.9
95.04971	91.3
95.08607	54.9
97.06535	11.0
97.10141	25.1
98.23361	8.8
103.05460	7.9
103.22842	3.2
104.83027	3.1
105.07027	100.0
107.04972	11.9
107.08601	64.1
109.06516	19.8
109.10132	27.3
111.08051	7.2
111.11767	8.6
115.05452	10.7
116.06264	3.7
116.19812	3.2
117.07018	36.5
119.04906	4.7
119.08581	93.2
121.06548	10.8
121.10143	66.7
123.08068	34.8
123.11700	6.4
128.06216	19.5
129.06972	26.3
130.07802	18.9
131.08565	56.1
132.09349	3.7
133.06480	11.8
133.10136	36.3
135.08043	16.7
135.11710	21.0
137.09601	7.7
139.11183	5.6
141.06982	16.9
142.07784	32.2
143.08563	76.9
144.09326	10.2
145.06482	6.8
145.10115	79.1
146.07272	4.1
147.08084	13.0
147.11684	22.1
148.08743	4.3
149.09642	16.3
149.13228	4.6
151.11139	5.2
153.07018	9.6
154.07797	6.0
155.06053	3.3
155.08559	29.6
156.09352	24.6
157.10124	50.3
158.10899	8.1
159.08083	15.6
159.11719	25.8
161.09593	19.6
163.11168	15.4
165.07025	12.6
166.07834	5.2
167.08557	22.1
167.10681	33.4
168.09387	11.9
169.10120	42.2
170.10887	14.3
171.08125	8.1
171.11679	27.6
172.08734	5.7
172.12448	6.6
173.09637	18.0
173.13275	20.0
175.11205	7.0
175.14754	4.7
178.07785	6.8
179.08571	24.0
180.09323	11.3
181.10146	31.2
182.10918	21.1
183.08067	4.1
183.11710	38.9
184.12285	5.8
185.09644	11.9
185.13251	10.6
186.10426	6.3
187.11238	13.3
187.14767	5.2
189.12785	8.4
191.08609	4.0
191.10635	5.1
191.14340	15.9
192.09302	8.7
193.10124	18.0
194.10919	13.9
195.11713	29.0
196.12444	9.5
197.09622	8.4
197.13295	21.2
198.14117	5.6
199.11230	20.0
199.14764	5.0
201.12756	5.9
205.10114	7.3
206.11028	8.8
207.11699	23.3
208.12404	9.3
209.09700	5.6
209.11546	8.2
209.13379	19.0
210.13998	5.8
211.11169	12.0
211.14894	14.3
212.11934	7.0
213.12709	6.1
215.14333	5.9
217.10123	5.2
219.11717	9.5
220.12535	4.6
220.14644	5.6
221.13246	14.2
222.14110	4.2
223.11198	8.0
223.14815	14.7
225.12773	16.1
225.16284	5.2
227.14500	8.7
231.11720	7.9
232.12474	5.2
233.13292	12.7
233.15453	13.1
234.14119	4.7
235.14871	11.8
237.12724	6.7
237.16516	4.8
239.14359	7.5
241.15923	4.3
245.13237	8.7
247.14854	5.7
249.12648	4.2
249.16449	8.6
250.13409	4.9
251.14249	7.8
253.15884	4.2
255.15833	4.7
259.14862	4.9
261.16391	5.6
265.15787	5.3
271.17053	4.3
273.18533	46.6
277.15927	5.6
283.15372	88.8
284.15701	6.0
289.15747	6.5
291.17447	7.1
295.17084	5.0
298.19254	4.0
299.20081	23.3
309.22159	4.7
311.18375	33.7
311.25729	42.4
312.20755	5.0
317.19089	4.1
319.20740	4.4
324.20715	4.7
335.20184	7.7
337.21634	31.2
339.28922	69.1
340.29330	6.1
349.21732	4.7
351.23169	5.1
352.23938	79.7
353.24576	7.8
363.23065	8.2
365.24756	9.9
429.27902	7.9
444.30142	38.7
445.30670	7.8
490.34317	8.6
526.34143	4.2
547.39893	57.4
548.40051	4.8
582.40741	46.8
583.40808	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	582.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14812	2.1
53.03957	5.1
55.01877	8.7
55.05518	19.9
56.26975	2.3
57.03440	18.0
57.07082	33.3
62.69254	2.8
67.05510	28.8
69.07071	20.8
69.19254	10.6
69.19680	8.0
71.05000	2.4
71.08631	21.9
79.05498	31.1
81.03416	8.1
81.07063	35.8
81.14353	2.5
83.01361	3.1
83.04980	12.0
83.08633	16.4
85.02911	3.5
85.06504	2.7
85.10183	12.3
90.54240	2.8
90.60697	2.4
91.05490	38.8
93.07046	28.3
95.04979	24.7
95.08612	27.8
95.33335	2.3
97.02898	2.1
97.06554	7.3
97.10190	10.9
98.23377	4.4
105.07035	41.4
107.04971	12.0
107.08640	14.6
109.06527	7.4
109.10158	13.0
111.04524	3.1
111.08051	2.8
115.05470	5.0
117.07004	13.7
119.08589	28.6
121.06538	4.5
121.10151	17.6
123.08060	12.2
123.11726	5.3
125.09589	3.0
128.06259	7.0
129.06978	13.0
130.07764	2.4
131.08617	15.0
133.06488	17.4
133.10127	9.1
135.08121	6.4
135.11700	8.0
137.09648	3.2
137.13286	2.6
141.07011	4.1
142.07748	6.6
143.08548	17.3
145.06450	4.1
145.10126	15.7
147.08070	4.3
147.11694	8.6
149.09639	7.5
151.07591	3.7
155.08575	6.7
156.09268	3.2
157.10117	13.6
159.08034	6.2
159.11729	4.5
161.09631	4.5
161.13167	3.4
163.11247	3.0
164.18962	2.2
165.06978	3.4
167.08586	5.5
169.10158	7.0
171.11697	16.5
173.09621	3.6
173.13319	3.6
179.08669	3.0
180.09444	3.6
181.10147	6.3
182.10876	3.0
183.11786	3.4
189.12805	4.1
193.10294	2.8
195.11728	3.7
197.13329	5.0
199.11201	6.5
202.46800	2.5
207.11714	2.5
209.11708	3.3
217.12265	4.7
219.11899	2.9
221.13284	2.9
223.15031	3.9
232.12563	3.5
237.22238	4.4
260.90442	2.8
270.19119	2.3
273.18677	5.8
283.15396	18.0
299.19861	3.5
309.16919	50.9
313.27368	100.0
314.27710	6.0
337.21686	3.9
339.28915	9.6
352.23886	11.3
444.30164	8.7
483.62195	3.0
490.33844	2.8
505.93774	2.7
547.39886	38.9
548.39337	2.6
582.40674	7.7
583.42261	2.8
584.16815	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.0
55.01867	8.4
55.05510	35.8
57.03437	21.5
57.07079	11.7
59.04991	3.4
65.03923	2.6
67.05507	31.1
69.03439	2.8
69.07066	40.6
71.05003	6.0
71.08610	5.0
79.05491	31.2
81.03408	10.7
81.07061	45.7
83.01348	10.3
83.04977	16.4
83.08622	32.9
85.06552	5.0
91.05473	21.9
93.07046	42.2
93.07619	2.3
95.04951	20.6
95.08598	28.3
97.02908	3.2
97.06543	5.8
97.10174	13.7
98.23357	5.5
99.08122	2.1
105.07031	22.5
107.04978	3.4
107.08590	27.6
109.06503	8.1
109.10167	14.9
111.08082	4.5
111.11729	4.4
117.06999	13.7
119.08580	26.6
121.06489	9.3
121.10145	27.7
123.08047	12.1
123.11690	3.5
125.09617	2.2
125.91640	1.9
128.06233	4.7
129.07024	6.6
131.08577	13.4
133.10138	9.7
135.08066	7.2
135.11696	19.9
143.08606	14.3
145.10121	31.7
147.08067	3.3
147.11655	6.0
149.09656	3.8
149.13222	2.3
153.12718	2.2
154.85722	2.2
155.08595	7.4
156.09373	4.0
157.10117	12.8
158.10756	2.3
159.08000	6.1
159.11725	4.9
161.09676	4.7
163.11200	21.7
167.08543	2.8
169.10146	8.9
171.11678	8.3
173.09598	6.3
173.13249	3.8
180.09340	3.4
181.10199	5.1
181.12224	4.9
183.11732	6.7
185.09627	3.3
187.11275	2.7
189.12781	3.5
193.10114	3.0
195.11685	6.1
197.09671	3.0
197.13245	7.1
199.11195	2.7
207.11717	4.5
209.11717	5.9
209.13379	5.1
211.11046	2.7
211.14767	2.6
223.14722	2.5
224.30598	2.1
227.12672	4.1
235.14742	3.0
237.16586	2.6
239.14488	2.3
247.24187	2.4
247.92072	2.4
265.25388	3.9
273.18536	14.6
283.15399	100.0
284.15683	5.3
298.60049	2.3
299.19983	4.5
337.21652	6.9
339.28912	88.2
340.29242	6.5
352.23965	12.7
365.24826	3.4
444.30145	9.8
490.34467	3.2
547.31958	3.2
547.39856	40.1
548.40271	5.2
582.40314	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	583.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02349	1.5
53.00293	1.6
53.03949	7.5
55.01877	15.0
55.05511	32.5
57.03440	5.6
57.07071	3.9
57.95758	1.6
58.08877	1.6
59.01255	1.4
59.05000	3.5
65.03948	3.7
67.05506	41.7
69.03436	2.9
69.07076	14.4
71.01377	2.5
71.04980	7.0
71.08631	100.0
71.28453	2.2
74.68610	1.6
77.03915	1.8
79.05495	59.2
81.03430	16.7
81.07057	43.1
83.01345	11.1
83.04987	22.1
83.08614	17.7
85.02908	3.7
85.06542	5.6
91.05482	73.9
92.05801	2.5
93.07045	54.7
93.23920	1.5
94.07414	1.9
95.04973	22.1
95.08611	27.4
97.02891	2.5
97.06539	13.2
97.10156	2.2
99.04458	2.0
99.08091	75.8
100.08477	1.5
103.05469	6.1
105.07030	49.2
106.07351	1.7
107.04961	12.1
107.08593	30.2
108.08918	1.8
109.06528	12.2
109.10133	8.4
111.04420	2.7
111.08082	4.2
114.19830	1.5
115.05430	9.3
116.06198	1.5
117.07024	48.9
119.08585	54.8
120.08942	2.6
121.06487	15.8
121.10150	21.3
122.10402	1.9
123.08076	16.4
123.11731	2.1
125.06010	2.0
125.09647	3.7
127.11209	2.0
128.06216	11.6
129.07013	24.6
130.07874	1.8
131.08565	25.7
133.06496	4.9
133.10132	17.0
135.08037	11.2
135.11694	15.3
137.09627	7.1
139.07574	2.4
139.11215	2.1
141.06985	12.6
141.12753	2.0
142.07800	5.1
143.08575	23.0
144.10170	2.2
145.06529	5.2
145.10136	32.1
147.08066	10.5
147.11705	7.2
149.09615	4.6
151.07529	2.2
151.11179	59.9
153.07043	3.1
153.12759	5.0
154.07782	3.6
155.08582	7.2
156.09410	1.8
157.10109	18.6
158.10605	1.6
159.08020	1.9
159.11682	10.2
161.09607	11.5
161.13232	4.1
163.11201	25.9
165.06952	2.7
165.09134	3.1
165.12816	3.1
166.07840	1.7
167.08580	5.3
167.10637	2.6
169.10138	21.7
170.10797	1.8
171.11703	7.0
173.09644	6.0
173.11899	1.6
173.13277	5.7
175.11205	4.2
175.14873	4.3
179.08527	2.4
179.14339	2.2
181.10127	6.4
181.12292	4.2
183.11673	7.6
185.09601	2.6
185.13266	19.5
187.11194	21.1
187.14806	4.7
188.11540	1.6
189.16429	1.7
191.10690	3.4
191.14337	3.5
193.10176	3.2
194.10945	1.7
195.11742	7.0
197.13255	2.8
199.11234	4.2
199.14838	6.0
201.12775	5.0
203.14310	15.6
205.01961	1.7
205.15932	2.0
209.11644	3.7
209.13380	3.7
211.14803	3.6
217.15881	24.1
221.13327	2.1
221.15376	3.6
223.14781	3.3
225.16460	1.9
227.12680	3.1
233.15546	2.2
235.14859	2.3
235.16896	7.6
239.17909	2.2
255.21106	1.8
283.15424	32.4
283.20355	7.6
301.21655	6.4
337.16376	4.8
491.35294	8.2
565.40344	2.1
583.34924	23.8
583.43036	2.9
584.36224	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	583.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89212	2.5
53.03947	11.1
55.05515	23.0
57.07077	14.9
59.04986	3.4
60.01661	2.3
63.67233	2.6
65.03942	6.5
67.05509	43.4
68.99235	7.0
68.99654	17.3
69.03423	7.6
69.07063	21.4
71.08655	3.4
79.05502	41.5
81.07063	47.8
82.07464	2.9
83.04981	9.3
83.08630	11.3
83.23083	2.6
85.06523	7.9
86.49255	2.5
91.05480	71.3
92.05784	4.0
93.07047	68.2
95.04967	17.7
95.08615	41.9
97.06539	6.4
97.10152	4.6
98.23364	5.4
99.08085	5.2
103.05448	6.9
105.04536	3.0
105.07040	85.1
107.04962	3.7
107.08596	53.8
109.06522	14.1
109.10154	19.7
111.08078	5.8
113.09669	2.9
115.05453	7.4
117.07021	21.9
119.08583	100.0
120.08925	4.8
121.06511	4.6
121.10138	61.5
123.08073	14.3
123.11711	7.8
125.06005	4.7
125.09676	3.1
128.06233	15.9
129.07002	27.9
130.07803	10.0
131.08575	43.0
132.08896	2.6
133.06511	3.0
133.10132	51.2
135.08080	10.0
135.11690	20.7
137.09650	11.7
141.06998	10.4
142.07785	28.1
143.08568	44.4
144.09334	8.3
145.06494	4.0
145.10123	57.4
147.08076	16.0
147.11696	18.4
149.09662	5.8
149.13258	4.4
151.07564	11.3
151.11230	4.4
152.19325	2.9
153.07048	8.1
154.07819	4.2
155.08554	15.6
156.09346	22.8
157.10123	56.1
158.10907	10.9
159.08131	7.8
159.11708	31.5
161.09622	7.1
161.13251	7.6
163.11209	10.8
165.07062	6.3
165.09164	23.5
166.07863	5.7
167.08597	14.1
167.10658	13.0
168.09386	9.6
169.10153	37.4
170.10919	10.0
171.11707	37.2
173.09674	4.2
173.13275	26.4
175.11208	2.5
175.14774	12.8
178.07742	3.5
179.08571	18.6
179.14256	6.0
180.09364	8.1
181.10144	18.1
181.12216	6.2
182.10898	9.5
183.11693	32.0
184.12411	5.0
185.09682	5.0
185.13255	21.2
187.11235	6.1
187.14861	6.5
189.12769	5.9
191.14316	10.5
192.09421	6.2
193.10194	19.0
194.10808	14.7
195.11685	31.6
196.12486	8.3
197.13274	19.8
197.52861	2.6
199.14836	20.9
201.12708	5.5
201.16452	5.2
203.14345	9.1
205.10167	9.4
206.10960	10.2
207.11732	20.5
207.13736	5.5
208.12535	8.8
209.13268	27.1
210.14038	5.1
211.11212	3.3
211.14827	13.5
213.12679	3.5
217.10204	3.1
217.15974	11.0
218.10901	3.3
219.11729	11.3
220.12497	6.8
221.13268	18.0
221.15434	54.3
222.13951	3.7
223.14810	18.8
225.16441	9.2
227.14435	3.6
229.15891	3.4
230.10873	3.2
231.11737	7.0
231.17441	2.8
232.12541	4.9
233.13301	15.6
233.15358	5.6
234.13997	4.1
235.14810	12.7
236.15465	4.3
237.16443	11.4
239.17906	6.1
243.11774	3.3
244.12639	3.8
245.13301	8.8
246.13982	5.7
247.14899	8.2
249.16481	11.6
250.17043	3.4
251.17999	7.7
253.19588	3.3
255.17506	3.3
257.13275	5.3
257.18994	7.9
259.14777	7.8
260.15674	5.4
261.16461	7.5
262.17151	3.4
263.18063	7.2
265.19495	8.4
269.18979	3.8
271.14783	5.2
272.15640	3.3
273.16232	4.7
275.17981	12.2
279.17639	3.8
281.18878	3.8
283.15234	3.4
283.20471	15.9
285.16214	3.3
287.17712	3.4
289.19501	6.3
291.21066	3.2
295.20505	3.7
313.05264	2.7
329.22653	4.7
331.24457	6.6
333.22162	3.3
349.25403	4.5
370.62723	2.7
375.26971	6.2
397.24725	3.1
403.29996	3.2
427.29987	3.3
473.34348	4.1
491.35114	8.9
503.35312	3.8
565.40320	23.4
583.41534	96.2
584.42133	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	583.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.2
55.05509	21.0
55.44164	2.4
57.03440	2.3
57.07079	15.3
63.00920	2.1
65.03933	4.7
67.05508	33.5
69.03442	10.3
69.07071	21.9
71.08633	4.5
79.05488	36.7
79.05913	3.5
81.03435	3.6
81.07061	49.3
83.04989	8.6
83.08627	13.9
85.06548	6.9
90.84128	2.3
91.04907	2.6
91.05482	54.7
93.07042	65.2
95.04958	17.3
95.08607	44.9
97.06534	7.8
97.10166	3.9
98.23445	4.6
103.05469	6.1
104.06290	2.7
105.04562	2.7
105.07036	88.5
107.05020	3.2
107.08596	54.7
108.08939	2.8
109.06537	9.3
109.10161	32.1
111.08070	3.8
115.05471	9.4
117.07031	23.4
119.08585	100.0
120.08890	4.0
121.06497	5.8
121.10139	56.2
122.10474	4.7
123.08093	18.4
123.11729	9.1
125.06028	3.8
125.09658	4.1
128.06238	16.0
129.07019	18.8
130.07770	10.9
131.08568	42.6
131.09505	3.7
133.06499	4.9
133.10138	52.8
135.08026	12.6
135.11694	23.8
137.09587	13.8
139.07581	2.6
139.11272	2.3
141.06981	10.9
142.07790	31.1
143.08574	48.6
144.09346	9.4
145.06535	3.5
145.10127	59.7
147.08047	18.4
147.11693	21.3
149.09610	8.1
149.13268	5.9
151.07549	16.1
151.11220	4.2
153.07040	5.6
154.07765	4.7
155.08585	19.4
156.09361	20.0
157.10135	67.5
158.10899	8.9
159.08090	8.8
159.11707	37.6
161.09641	9.9
161.13271	12.0
163.11206	8.0
165.07018	10.8
165.09135	27.7
166.07863	2.9
167.08586	11.8
167.10692	18.2
168.09386	8.3
169.10132	38.5
170.10915	11.2
171.11700	36.7
172.12228	3.2
173.09720	5.0
173.13272	31.4
175.11209	5.0
175.14769	13.6
178.07912	3.3
179.08591	18.5
180.09348	7.9
181.10106	19.5
181.12306	3.6
182.10925	8.8
183.11716	32.3
184.12439	8.2
185.09613	5.9
185.13268	24.3
186.13582	3.3
187.11185	6.3
187.14740	12.8
189.12775	6.7
191.08521	3.0
191.10631	3.3
191.14340	15.0
192.09413	6.2
193.10161	19.9
194.10928	12.2
195.11674	24.4
196.12428	5.8
197.13263	21.0
199.11208	4.8
199.14806	18.4
201.12822	3.4
201.16414	5.5
201.79008	2.5
203.14316	11.7
204.09483	2.8
205.10139	4.9
206.10783	11.5
207.11726	23.5
207.13777	8.6
208.12514	8.2
209.13280	32.1
211.11258	5.4
211.14847	18.7
213.12743	5.4
213.16423	5.5
215.14316	4.4
217.10152	3.2
217.15837	11.9
218.10938	6.2
219.11633	13.0
220.12521	5.0
221.13283	18.5
221.15424	47.9
222.13931	4.8
223.14830	19.7
225.12837	3.4
225.16428	9.5
227.14203	4.1
229.45313	3.6
230.11021	3.5
231.11746	9.4
232.12523	6.6
233.13303	13.5
233.15393	9.1
234.14041	4.1
235.14786	19.9
236.15565	2.9
237.16426	8.2
239.18050	9.3
243.11676	3.4
243.17616	3.6
244.12523	3.6
245.13318	10.3
246.14098	7.1
247.14857	14.3
248.15475	3.0
249.16371	10.8
251.14743	2.9
251.17903	5.7
253.19354	3.0
257.13132	3.8
257.19049	7.3
259.14789	5.1
260.15558	4.2
261.16272	13.7
263.17917	5.1
265.16223	3.3
265.19562	7.9
271.14813	3.2
273.16351	4.9
275.17657	11.3
277.19553	7.1
279.17606	4.1
283.20474	13.9
285.16318	4.1
287.17828	4.1
289.19443	4.4
291.17664	3.1
295.20563	5.7
299.20270	4.5
315.21118	3.5
331.24219	4.9
349.25302	5.7
357.25894	3.1
361.25497	3.6
375.26746	6.7
403.30219	4.3
459.74582	2.4
491.35214	6.0
503.35315	3.1
547.38928	2.8
565.40234	17.4
583.41449	85.3
584.41907	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	583.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89454	1.1
53.03947	3.8
55.01875	2.4
55.05510	8.2
57.07082	8.7
59.04995	4.8
65.03932	1.6
67.05502	17.2
69.03432	9.0
69.07066	10.4
71.04971	1.8
79.05495	16.1
81.07053	29.0
83.04986	3.5
83.08619	4.6
85.06557	3.7
91.05476	25.0
92.05811	1.4
93.07043	32.3
94.07365	1.3
95.04983	7.2
95.08046	2.2
95.08608	25.3
97.06531	6.3
103.05469	2.8
105.04552	1.4
105.07029	47.7
106.07332	1.7
107.08599	22.6
109.06512	6.8
109.10152	19.0
111.08092	4.3
117.07024	11.7
119.04887	1.3
119.08582	46.8
120.08864	1.2
121.06497	4.3
121.10152	30.4
122.07262	2.5
123.08067	17.8
123.11704	3.1
125.09622	1.6
128.06198	4.2
129.07014	10.6
130.07777	4.1
131.08591	18.1
132.08939	1.5
133.06522	2.2
133.09106	1.7
133.10118	31.0
133.11075	2.4
135.08073	13.1
135.11696	15.1
137.09628	18.9
140.29144	1.2
141.06985	3.6
142.07765	11.2
143.08572	21.2
144.09282	4.1
145.09015	2.2
145.10121	36.1
146.10471	1.4
147.08040	26.6
147.11670	10.9
147.78493	1.3
149.09653	6.1
151.07559	11.2
151.11133	3.5
153.07005	2.1
155.08563	7.9
156.09329	5.6
156.96327	1.2
157.10126	25.1
158.10786	2.1
159.08022	3.2
159.11710	18.6
160.12161	1.4
161.09608	5.8
161.13249	7.6
163.11177	6.4
165.07034	2.1
165.09114	53.1
166.09517	2.7
167.08585	3.5
167.10672	2.4
168.09344	3.3
169.10136	12.5
170.10812	4.8
171.07994	1.3
171.11678	16.5
172.12257	1.8
173.09633	4.0
173.13248	10.6
175.11189	3.2
175.14836	6.6
177.09175	1.9
177.12695	2.0
179.08542	3.4
179.10687	1.3
180.09283	1.8
181.10135	8.3
181.12221	4.7
182.10846	4.3
183.11673	13.1
184.12354	1.9
185.09642	1.9
185.13298	7.7
187.11247	2.2
187.14813	6.2
189.12695	3.6
191.14214	1.6
193.10170	6.3
194.10887	3.1
195.11635	9.2
196.12360	2.3
197.13217	10.3
198.13791	1.9
199.11122	3.0
199.14807	4.3
201.16364	1.2
203.14291	16.9
205.10092	1.7
206.10922	2.3
207.11717	6.0
207.13828	5.4
208.12436	2.9
209.13280	8.6
210.13947	1.6
211.11279	1.9
211.14836	5.4
213.12688	2.4
213.16347	2.5
215.14371	1.7
220.12318	1.6
221.13358	4.8
221.15347	100.0
222.15703	3.1
223.14751	6.1
225.12749	2.5
225.16408	1.8
231.11726	1.6
231.17444	2.0
233.13197	2.1
233.15324	1.7
235.14828	4.1
237.16396	3.9
239.14450	1.4
247.14670	2.9
247.16968	3.0
249.16467	2.3
251.18002	1.9
257.13400	1.6
259.14694	1.3
261.16293	1.9
265.19531	2.3
275.17838	2.6
276.18768	1.4
281.18875	1.5
287.20181	2.3
293.19025	1.6
299.19952	3.0
325.21512	1.9
338.22073	1.7
338.28394	1.5
352.23935	3.7
364.23434	1.3
365.24738	2.3
367.26382	2.1
397.27167	1.7
445.30637	2.7
473.33932	6.6
491.35226	11.3
492.35498	1.4
503.34891	5.6
506.34525	1.8
512.60083	1.5
565.40161	5.9
583.41455	29.5
584.42279	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	583.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.3
52.29625	0.9
53.03946	6.1
55.01872	2.7
55.05516	28.4
57.03444	8.0
57.07081	11.0
65.03944	5.1
67.05507	61.8
69.03420	1.5
69.04501	2.1
69.04898	6.7
69.07069	22.3
69.07419	1.7
71.04996	4.0
71.08635	8.9
73.06560	2.1
77.03939	2.3
79.05496	58.3
81.07061	60.3
82.07392	1.4
83.04996	3.2
83.08618	13.4
85.06561	4.0
85.10191	6.4
87.04478	1.4
89.06040	24.6
89.06562	1.7
91.05486	54.0
93.07048	62.0
94.07416	1.4
95.04970	9.1
95.08611	49.2
97.06541	6.1
97.10179	6.3
98.23328	2.5
99.08098	2.6
99.73692	1.0
103.05488	2.9
105.04559	2.0
105.07035	51.7
106.07375	1.2
107.04981	1.6
107.08599	34.1
109.06540	4.6
109.10155	21.7
110.57235	1.0
111.08118	3.5
111.11694	1.1
115.05474	3.2
116.06271	1.4
117.07024	21.3
117.07829	1.6
118.03195	1.1
119.08587	46.2
121.10143	33.2
121.11008	1.7
123.08093	3.6
123.11710	8.1
125.09622	1.5
128.06264	3.6
129.05536	2.3
129.07010	15.9
130.07819	3.2
131.07077	1.2
131.08571	33.6
133.08636	13.0
133.10132	41.2
135.08119	2.2
135.11693	20.3
137.09633	3.5
137.13232	1.7
139.11240	2.1
141.07036	4.1
142.07770	5.0
143.04964	1.1
143.08565	18.9
144.09300	2.9
145.10127	36.2
146.10530	1.7
147.08035	2.0
147.11687	28.4
149.09633	3.9
149.13254	10.1
151.11209	2.0
153.07019	1.3
155.08560	9.3
156.09346	2.6
157.10147	19.7
158.10875	1.7
159.08098	1.6
159.11697	27.4
161.09659	2.4
161.13264	17.1
163.11215	2.9
163.14850	3.7
165.09152	2.5
167.08636	3.7
168.09315	1.7
169.10114	13.6
169.11311	1.1
171.11681	22.0
171.13068	1.3
172.12186	1.5
173.09692	1.4
173.13235	16.6
174.13750	1.9
175.11185	2.2
175.14842	8.7
177.11278	5.8
177.12730	2.2
177.16418	2.4
179.08569	1.1
181.10146	6.0
182.10938	2.2
183.11722	12.9
185.13258	14.8
187.11166	1.4
187.14795	8.0
189.12955	1.4
189.16469	3.2
193.10170	2.0
195.11705	7.0
196.12485	1.8
197.13268	10.6
199.11255	2.0
199.14832	7.7
201.12868	1.4
201.16507	3.9
203.14343	1.5
203.17966	2.2
207.11641	1.7
209.13240	6.5
211.14833	7.8
213.14742	1.5
213.16431	7.8
215.18039	4.9
217.16008	1.7
217.19540	1.4
221.13370	3.5
221.15482	4.4
223.14951	4.1
225.16469	3.6
227.18047	2.9
229.19508	2.3
231.17410	4.9
231.21158	2.3
233.19112	3.8
235.14876	3.0
237.16467	2.4
239.18005	3.6
241.19456	10.2
243.21066	2.0
251.18019	2.7
253.19524	1.4
257.19135	4.5
259.20609	18.3
261.22281	1.5
263.17734	1.2
265.19580	2.2
269.19254	1.1
273.21973	1.0
275.20248	1.7
279.20920	1.3
294.23581	1.2
305.21222	2.2
307.22641	22.0
309.24521	1.4
311.23691	2.1
313.21771	1.4
315.23309	1.5
325.25458	2.4
333.24283	11.8
334.24628	1.1
335.25931	3.9
339.26950	2.1
353.28424	1.7
367.30136	1.8
371.22739	2.3
421.31104	1.5
473.37958	2.5
491.39105	10.7
509.40109	3.1
513.35760	1.1
514.36664	1.4
547.41302	1.0
565.42438	10.3
566.43311	1.8
583.43542	100.0
584.43854	11.2
584.56592	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59732	0.9
52.67258	0.9
53.03943	5.6
55.01855	1.6
55.05512	23.1
55.53725	1.0
56.05832	1.0
57.03444	7.4
57.07072	5.4
60.34700	1.0
65.03943	3.4
66.51651	1.0
67.05502	47.4
68.05820	1.2
69.03414	1.4
69.07069	19.8
70.06577	1.5
71.04981	2.7
71.08627	1.4
75.99940	0.9
77.03947	1.2
79.05489	42.6
81.07053	50.0
82.07372	1.7
83.04982	4.0
83.08607	13.1
85.06550	3.6
85.10170	1.1
89.06049	1.7
91.05473	44.9
92.05808	1.1
93.07040	46.8
93.07634	2.3
95.04964	7.6
95.08600	41.4
96.08923	1.3
97.06543	4.1
97.10177	4.6
99.08125	1.3
105.04549	1.7
105.07025	49.0
106.07355	2.1
107.04941	2.0
107.08594	28.7
109.06536	3.5
109.10152	19.0
111.08086	2.0
111.11740	1.3
112.69072	1.1
115.05463	3.9
116.06277	1.2
117.07011	22.2
117.35160	1.0
118.07308	1.3
119.08576	43.4
120.08915	1.8
121.06510	1.7
121.10135	26.1
123.08070	2.5
123.11694	7.5
125.09588	1.6
128.06242	4.6
129.05527	1.8
129.06995	15.8
130.07748	2.5
131.08566	30.9
131.09497	1.7
132.08943	1.8
133.10121	39.8
134.10536	1.0
135.08086	3.3
135.11690	16.8
137.09607	2.1
137.13287	1.9
141.07008	4.3
142.07765	5.2
143.08568	21.1
144.09360	2.3
145.06525	1.0
145.10115	31.2
146.10619	1.1
147.08060	2.0
147.11681	23.1
147.12767	1.8
149.09644	3.6
149.13243	5.9
151.11230	2.1
153.07004	2.0
154.07779	1.4
155.08533	10.3
156.09334	4.6
157.08824	0.9
157.10115	24.9
158.10667	1.7
159.08110	1.8
159.11687	24.7
160.12250	1.1
161.09637	2.2
161.13213	8.2
163.14893	2.7
167.08604	3.5
168.09296	2.4
169.10107	13.0
170.10718	1.8
171.08067	1.1
171.11684	21.2
171.13074	1.4
172.12117	1.2
173.09552	2.3
173.13249	14.7
175.11192	1.4
175.14836	6.4
177.12807	1.9
177.16425	1.8
179.08650	2.1
181.10085	7.3
182.10744	1.1
183.11694	14.2
184.12459	1.3
185.13246	18.3
187.11116	1.6
187.14819	9.6
189.12723	1.7
189.16365	4.9
191.14299	2.1
191.17923	1.8
193.10178	3.0
194.10919	1.3
195.11665	8.1
197.13229	10.4
199.14824	7.9
201.12801	1.5
201.16441	4.2
203.18033	2.6
206.10869	1.5
207.11708	2.9
209.13292	7.5
211.11449	1.0
211.14815	8.3
213.16376	15.6
215.17975	4.1
217.10211	1.2
217.15929	1.9
221.13292	3.3
221.15379	2.3
223.14870	3.9
225.16414	4.7
227.18039	3.4
229.15947	2.8
229.19543	1.5
231.11752	1.7
231.17444	12.6
233.13283	1.5
233.18929	1.5
235.14873	3.8
237.16386	2.9
239.18022	3.4
241.19595	3.1
249.16405	1.8
251.14279	1.2
251.17982	2.3
253.19653	1.9
255.17390	2.2
255.21237	1.5
257.18997	2.1
259.20636	3.3
265.19632	2.6
279.20847	1.3
281.18994	1.3
283.20544	2.4
285.21899	1.2
297.22131	1.4
305.21173	2.3
307.22876	1.8
311.23782	1.5
313.21536	1.3
325.25339	2.5
333.24329	1.5
335.25897	4.8
340.29254	1.3
349.25015	1.2
353.24643	1.6
365.28656	1.5
445.30688	1.3
473.37985	2.4
475.33817	1.5
485.36365	1.6
491.39005	8.9
503.35187	1.4
509.40030	3.0
513.35693	2.2
565.42303	9.6
583.43512	100.0
584.43677	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	584.422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93050	2.1
53.03954	3.9
55.05521	16.9
57.07085	9.8
59.04992	2.2
65.03953	3.2
67.05505	25.0
68.99677	4.6
69.00080	17.7
69.03425	3.8
69.07068	16.4
70.06564	3.3
71.04987	3.0
71.08631	4.2
79.05495	30.9
80.05836	2.3
81.07059	67.6
82.07364	2.4
83.04996	5.8
83.08616	6.5
85.06535	3.3
89.06042	3.0
91.05483	41.1
91.06014	3.2
93.07047	59.2
94.07361	2.8
95.04984	12.2
95.08610	34.6
97.06540	7.0
97.10148	2.1
103.05475	3.1
105.04619	2.1
105.07034	100.0
106.07305	3.1
107.04948	3.2
107.08601	47.3
108.08936	3.3
109.06551	4.9
109.10157	27.8
111.08064	3.7
115.05447	3.9
117.07014	23.6
119.08587	87.8
120.08895	3.1
121.10149	49.3
122.10483	2.0
123.08092	9.6
123.11727	10.6
125.09652	3.5
128.06235	5.2
129.07010	12.8
130.07780	7.1
131.08575	37.1
132.09390	2.5
133.10136	61.5
134.10504	2.2
135.08086	6.6
135.11681	21.8
137.09631	8.4
137.13309	2.3
138.10339	2.8
139.11220	4.9
141.07042	2.9
142.07782	12.4
143.08568	26.9
144.09309	5.8
145.10129	69.5
146.10579	2.9
147.08052	5.7
147.11694	34.1
149.09659	3.3
149.13248	4.2
151.11185	7.2
153.07010	3.6
154.07764	3.5
155.08517	12.0
156.09334	9.3
157.10129	39.8
158.10828	4.7
159.08058	2.3
159.11694	36.4
160.12129	2.6
161.09637	6.0
161.13293	19.0
163.11136	3.9
165.06989	2.9
167.08597	7.9
168.09348	4.3
169.10129	27.6
170.10672	4.7
171.11705	22.9
172.12216	2.7
173.13283	15.0
175.11252	2.6
175.14822	10.4
179.08606	4.3
179.14366	3.7
180.09314	3.5
181.10052	10.0
182.10886	3.1
183.11702	23.9
184.12392	3.4
185.13313	10.0
187.11154	2.1
187.14893	6.7
189.12752	3.0
191.14276	5.2
193.10187	7.7
193.15822	1.9
194.10854	3.5
195.11678	17.5
196.12360	5.8
197.13263	15.4
198.13841	3.1
199.11101	2.6
199.14842	7.0
201.12785	3.5
201.16420	6.8
203.14308	3.2
206.10942	2.4
207.11743	7.4
208.12503	3.1
209.13272	17.0
210.13947	5.7
211.14769	10.7
213.12715	2.1
213.16357	7.3
215.14381	2.6
217.15916	2.4
219.11612	1.9
220.12512	2.1
221.13361	5.5
222.13763	3.5
223.14865	12.7
224.15457	3.5
225.12807	3.0
225.16428	23.8
227.17976	2.5
229.15820	2.5
233.13266	3.5
235.14882	6.0
237.16406	9.1
239.18117	3.7
241.19626	3.3
245.19220	2.4
247.14795	3.3
249.16478	4.5
251.18019	3.0
253.19514	2.5
255.17845	2.5
257.19217	2.2
261.16470	4.2
263.17892	4.7
265.19516	2.4
269.19012	2.9
279.20950	1.8
291.21176	4.2
293.22903	3.1
300.29068	5.7
309.21927	2.3
311.23526	2.8
311.29514	8.0
319.24124	2.4
335.23914	2.4
363.26883	5.5
385.29089	2.7
403.30026	11.1
404.30237	3.5
523.39380	4.0
526.50421	2.2
541.21185	2.1
541.40314	10.7
566.40869	2.7
574.16223	2.0
584.42242	12.2
584.56006	20.7
585.37067	3.3
585.45435	2.6
585.56616	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	584.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.2
53.65672	1.2
55.01876	7.2
55.05512	23.2
57.03442	20.8
57.07077	44.8
59.04993	3.3
62.50843	1.4
65.05066	1.3
67.05505	26.2
69.04486	9.0
69.07069	15.8
70.06596	1.9
71.01353	1.6
71.04981	4.2
71.08633	33.7
73.09548	1.4
79.05073	1.7
79.05497	24.5
81.03416	9.1
81.07062	36.5
83.01349	10.3
83.04984	14.6
83.08621	19.0
85.02893	4.2
85.06555	2.1
85.10183	17.1
89.06032	5.8
91.05486	17.0
93.07040	27.7
95.04981	6.4
95.08607	32.9
97.02899	2.0
97.06525	5.1
97.10178	9.8
99.04443	2.8
103.07601	2.3
105.07033	10.7
105.66887	1.6
107.04948	6.9
107.08603	16.1
109.06480	6.2
109.10166	11.2
110.32694	1.3
111.04420	2.6
111.08080	3.2
111.11704	3.1
117.06995	7.3
119.08590	11.9
121.06498	2.9
121.10145	7.9
123.08063	10.1
123.11700	4.0
125.05964	1.9
129.06992	2.4
131.08583	4.6
133.10123	6.6
135.08031	1.7
135.11674	14.2
143.08577	2.8
145.10127	18.4
147.08026	2.4
147.11713	2.8
152.02043	1.4
153.12743	3.2
157.10135	1.3
159.11671	1.8
163.11177	26.9
163.12477	1.8
173.09615	2.7
173.13321	2.5
181.12233	2.8
185.13338	1.8
191.10703	3.8
209.11713	9.7
227.12791	4.2
267.26843	4.0
283.15402	100.0
284.15768	5.1
285.27979	1.4
311.29443	1.8
314.29504	1.6
341.30502	89.3
342.30930	6.5
350.65143	1.5
410.64325	1.6
543.32788	1.6
549.41516	44.1
550.41559	4.2
557.31891	1.6
584.55939	4.8
585.45233	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	584.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.05513	9.0
57.03434	1.4
57.07079	32.7
59.05006	0.9
67.05509	17.9
68.05845	2.4
69.03424	1.4
69.07081	10.2
71.08634	29.1
73.06560	8.2
79.05496	15.9
80.05842	2.3
81.03402	1.1
81.06586	1.4
81.07063	21.3
82.07388	3.0
83.05010	1.6
83.08604	6.2
85.06545	1.5
85.10185	17.6
87.04454	4.7
89.06036	100.0
91.05479	15.8
92.05820	2.0
93.07053	19.5
94.07378	2.7
95.04969	3.4
95.08613	12.3
96.08923	2.1
97.06547	2.0
97.10159	5.9
98.23370	2.7
98.63486	1.0
99.11763	2.4
103.05468	1.0
105.07040	18.5
106.07381	1.8
107.07056	2.7
107.08584	10.9
108.08916	1.5
109.06558	1.4
109.10158	6.1
110.34193	0.9
110.39381	0.9
111.08050	1.4
111.11735	3.6
113.13282	1.9
117.07037	5.3
117.09126	4.8
119.08578	15.1
120.08936	2.9
121.10156	11.2
122.10491	2.5
123.08144	1.1
123.11720	2.5
125.13277	1.4
127.14832	2.3
128.06264	1.1
129.07008	4.3
130.07797	1.1
130.08658	1.4
131.07042	2.0
131.08586	11.2
132.08907	2.2
133.08604	51.7
133.10104	10.7
134.10486	2.9
135.08052	1.2
135.11717	4.6
137.09601	1.5
141.06987	1.2
141.16365	1.0
142.07777	1.8
143.08611	5.3
144.09258	1.8
145.10127	13.0
146.10495	2.8
147.11711	8.1
148.12029	2.3
149.13254	1.2
150.13588	1.3
155.08585	3.9
157.10176	8.4
158.10483	1.9
159.11682	8.0
160.12064	2.8
161.13263	2.9
163.11172	1.4
165.09113	1.0
167.08456	1.0
169.10193	5.2
170.10573	1.7
171.11662	6.0
172.12114	1.2
173.13297	4.5
174.13678	1.1
175.09622	1.4
175.14885	2.6
176.15199	1.1
177.11235	19.9
177.12645	1.8
179.08507	1.3
181.10135	1.8
183.11748	3.1
184.12216	1.2
185.13377	4.4
186.13672	1.9
187.14822	2.4
188.15314	1.3
189.16467	1.6
193.10089	1.3
195.11703	2.1
196.12276	1.2
197.13264	2.3
197.22688	2.2
199.14825	2.6
209.13261	3.1
210.13817	1.1
211.14847	2.0
213.16379	1.7
216.18378	1.1
221.13684	3.9
223.14853	1.9
225.16412	2.5
227.17804	1.0
237.16550	1.0
239.14799	2.0
241.25244	1.8
256.26266	1.4
257.19211	1.1
259.20578	1.6
260.20987	2.8
283.17667	1.4
283.26465	1.5
285.27844	5.7
300.28842	1.7
307.22659	1.4
308.23007	2.5
311.29541	2.0
327.20135	1.8
329.30432	2.2
334.24786	1.5
371.22784	4.0
492.39185	1.5
566.42645	2.5
567.44659	5.0
584.43555	23.0
584.55902	8.5
585.44263	2.7
598.22168	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.9
55.01870	5.5
55.05513	3.0
56.05032	4.4
57.03420	1.8
60.79063	1.3
67.05518	1.5
69.03434	8.1
69.07050	1.2
70.06601	9.4
71.04994	2.6
73.02928	1.5
79.05484	1.6
81.03418	6.8
83.04983	3.5
84.04489	2.6
84.08173	1.4
85.02909	8.3
86.06084	1.5
86.10051	1.2
87.00822	2.2
87.04471	1.3
91.05486	4.5
91.54330	1.1
91.74864	1.3
93.07059	3.1
94.06554	2.1
95.79456	1.2
96.04478	2.5
96.08121	1.6
97.02914	6.4
97.92870	1.3
98.06059	26.0
99.04456	4.0
105.07050	5.5
107.08604	5.3
108.08133	2.5
109.02888	4.5
111.04462	1.6
115.08684	2.3
116.07118	5.0
117.06992	3.0
119.04961	3.5
119.08556	5.6
121.06525	1.7
121.10127	2.0
125.07114	7.4
127.03925	6.0
129.06981	1.4
130.07834	1.4
131.08568	4.2
135.08041	3.1
135.11671	1.6
136.07547	1.3
143.08176	9.9
144.09341	2.5
145.06471	2.7
145.10107	14.5
146.09657	2.0
147.04424	9.5
147.08035	2.9
149.07141	2.3
155.05821	1.3
159.08037	2.5
159.11708	14.3
160.11200	2.0
161.09654	4.3
162.12770	2.3
172.08835	1.7
186.12746	2.5
187.11182	12.7
204.13817	9.8
209.09175	6.2
222.15005	2.3
227.10284	1.9
242.15527	1.4
243.06734	1.6
260.02765	1.3
276.23795	1.1
301.19119	10.6
302.17523	2.0
319.20160	18.1
337.21332	2.1
349.34781	1.3
368.16827	1.5
406.16528	1.6
426.21396	1.9
523.26624	7.6
524.26257	2.1
541.27557	30.9
541.35406	2.5
542.27954	4.3
567.25323	8.3
585.26532	100.0
586.27167	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	585.2672
Annotation	kirkinine D
Peak:m/z	Relative Intensity
52.96191	1.2
53.03928	1.3
56.96568	1.4
57.03431	1.1
60.76765	1.0
67.05500	3.6
69.03413	1.6
71.29748	1.0
79.05499	2.2
81.03418	1.3
81.07046	2.8
83.04987	1.8
85.02889	1.7
88.36366	1.0
91.05475	2.9
93.07042	1.1
95.08577	1.0
97.06524	6.8
109.10147	1.9
110.36173	1.0
119.08553	1.4
129.98526	1.1
149.01184	1.3
200.79549	1.1
204.98575	1.0
264.18689	1.2
311.12369	1.0
483.21997	1.4
503.16122	2.7
567.27863	1.7
585.26752	100.0
586.27075	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	585.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.0
55.01876	15.9
55.05512	50.8
56.89894	2.4
57.03447	16.5
57.06831	2.4
57.07065	12.1
59.05000	2.9
65.03921	6.5
65.44878	2.4
67.05505	64.6
69.03416	2.9
69.07076	20.8
70.06614	4.0
71.04989	8.8
71.08629	10.0
73.84048	2.7
79.05495	59.8
81.03416	17.5
81.07060	53.2
82.07357	3.2
83.01343	11.3
83.04991	19.1
83.08617	25.5
83.42379	2.7
85.02905	4.6
85.06546	8.8
85.10179	3.3
86.74272	2.3
91.05481	75.7
93.07043	54.9
95.04961	16.6
95.08603	28.2
97.02920	3.7
97.06552	13.2
97.10173	16.5
98.23540	4.0
99.08130	3.0
103.05479	3.0
105.04514	3.8
105.07030	41.0
107.04965	13.8
107.08609	31.8
109.06532	7.4
109.10168	14.1
111.04449	5.2
111.08127	5.5
115.05411	13.4
117.07021	58.7
119.08592	31.8
120.08910	2.9
121.06528	3.2
121.10143	23.3
122.10460	3.2
122.57382	2.4
123.08078	11.4
123.11721	6.8
125.09625	12.8
128.06227	8.7
129.05495	9.1
129.07004	46.9
130.07724	3.6
131.08572	68.7
133.06435	2.8
133.10118	22.7
135.08051	8.3
135.11694	20.5
136.31650	2.3
141.06984	41.5
142.07773	5.6
143.08560	36.4
145.06430	2.9
145.10120	58.6
145.72975	2.5
147.08052	3.2
147.11720	8.6
149.09618	5.8
149.13263	4.0
153.06941	3.4
153.12778	6.2
154.07748	3.6
155.08571	27.6
157.10172	26.9
159.08055	4.5
159.11679	20.7
161.09627	10.9
161.13260	7.1
163.11200	31.0
165.07037	3.4
167.08548	8.5
169.10126	45.1
170.10672	2.6
171.11679	18.6
173.09592	13.4
173.13269	17.2
175.14839	6.6
179.08511	4.7
181.10161	9.8
181.12204	7.6
183.11703	30.3
185.09610	4.1
185.13304	9.7
187.11163	14.1
187.14822	15.2
189.11232	8.6
189.12744	4.0
189.16428	3.0
191.10696	4.1
193.10251	3.7
193.12260	2.6
195.11700	8.9
197.09540	3.0
197.13254	14.0
199.11292	3.0
199.14883	7.7
201.12808	14.2
201.16402	20.1
203.08438	2.7
209.11653	12.7
211.11377	4.4
211.14795	11.3
213.12819	3.6
213.16382	3.6
215.14287	5.2
215.17950	3.3
217.09647	2.5
219.11609	2.5
221.13350	3.0
225.16350	6.0
227.12718	17.3
227.17865	3.5
239.18063	6.6
241.19531	8.9
243.21057	27.1
245.13838	4.3
256.26459	3.3
257.19019	6.1
257.22708	19.8
263.17899	3.0
265.19626	5.2
267.21075	43.1
268.21564	3.5
283.12283	3.5
283.15396	69.9
283.20578	10.7
284.15836	2.7
285.22134	100.0
286.22543	4.1
300.28906	3.2
305.22662	4.6
307.20212	2.7
310.05618	3.0
311.29483	3.5
323.23587	9.8
341.24652	4.5
359.25964	13.6
447.32779	3.3
457.30826	6.8
475.31787	11.9
493.32916	6.3
539.36902	3.5
549.35321	8.5
567.36621	37.5
584.56384	5.6
585.37305	45.6
585.56671	7.0
586.37476	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	585.451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.9
55.01865	2.5
55.05512	27.6
57.03439	9.3
57.07081	6.0
58.32983	0.9
61.50606	0.9
67.05506	75.9
68.05835	1.8
69.07071	24.5
70.78806	1.7
71.04993	3.4
71.08630	1.9
77.03931	1.8
79.05491	51.7
79.41787	0.9
81.07057	75.6
83.04992	2.7
83.08617	16.8
85.06544	3.2
91.05482	41.1
92.05789	1.2
93.07044	63.6
94.07387	1.1
95.04986	5.0
95.08604	62.2
96.08942	1.1
97.06532	5.6
97.10168	8.4
99.08085	4.3
103.05416	1.1
105.04556	1.8
105.07027	41.0
106.07394	1.1
107.07860	1.7
107.08594	35.9
109.06522	2.2
109.10151	29.0
111.08087	2.6
111.11730	1.8
113.09666	0.9
115.05505	1.5
117.07021	16.4
119.08584	39.8
121.06517	1.4
121.10144	32.2
121.11024	1.7
123.08096	1.6
123.11709	12.7
125.09658	2.4
127.21147	0.9
128.06248	2.0
129.07007	9.9
130.07773	1.3
131.08572	28.9
133.10132	32.4
134.10471	1.0
135.08057	1.6
135.11694	24.8
137.09659	1.9
137.13283	3.8
139.11203	1.6
141.06995	2.3
142.07788	1.8
143.08554	11.4
145.10123	32.2
145.11270	1.9
147.11684	24.0
148.12091	1.1
149.09641	2.6
149.13261	12.0
151.11124	1.2
151.14825	2.1
155.08549	4.5
157.10138	12.7
159.11690	21.0
161.13263	12.9
163.11171	1.5
163.14859	5.5
169.10088	4.9
171.11678	11.8
173.13268	18.8
175.14810	7.6
177.12805	1.4
177.16397	2.6
181.10185	1.3
183.11708	5.6
185.13234	10.3
187.14815	9.2
189.16460	3.8
191.17943	2.1
195.11716	1.8
197.13318	3.3
199.14792	4.6
201.16325	5.2
203.17995	3.2
205.15823	0.9
205.19569	1.7
209.13306	2.1
211.14859	3.4
213.16393	8.4
215.17917	10.2
216.18491	1.1
217.15871	1.3
217.19498	2.5
227.18120	2.8
229.19490	1.9
231.17442	6.7
231.21101	1.7
233.19031	6.5
237.16428	1.1
239.18115	1.3
241.19516	3.5
243.21172	2.2
245.19139	1.5
245.22832	1.1
247.20767	1.6
255.21223	1.4
257.18991	1.6
259.20557	6.6
261.22128	8.2
263.23715	1.2
271.20700	1.2
273.22116	2.3
275.20193	1.5
279.23196	0.9
285.22162	1.9
299.23700	1.7
301.25211	1.7
305.21219	2.5
307.22696	10.7
309.24161	7.1
311.23712	1.2
313.25168	1.2
315.23239	1.1
317.24792	1.2
333.24316	3.4
335.25836	7.1
337.27682	4.7
355.30167	1.6
371.29739	1.0
387.29178	1.1
406.82736	1.0
475.33463	1.2
475.39377	3.3
489.36612	1.1
493.40439	8.5
494.40781	1.2
501.35718	1.9
511.41492	4.4
515.37384	1.5
549.42932	1.4
567.43951	12.7
568.44580	1.8
585.45117	100.0
586.45654	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	585.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.8
53.03953	9.6
55.01866	7.7
55.05519	46.8
57.03436	15.3
57.07082	15.6
65.93953	2.2
66.18965	2.6
66.79350	2.6
67.05508	85.1
69.07071	50.0
70.93186	4.7
71.04996	5.0
71.08672	6.0
79.05497	70.2
81.03428	5.3
81.07059	95.4
83.05011	7.6
83.08619	26.8
85.06570	3.5
89.06043	3.3
91.05481	66.2
92.05760	3.3
93.07043	65.9
95.04971	12.4
95.08606	62.8
96.08900	3.0
97.06546	9.5
97.10171	15.6
98.23370	2.3
99.08115	4.9
103.05477	2.4
105.07030	55.3
106.07322	3.0
107.04962	6.5
107.08602	36.4
109.06541	5.8
109.10148	24.6
111.04478	2.7
111.08088	4.2
111.11737	3.8
115.05482	4.3
117.07028	23.8
119.08588	55.9
121.06522	5.3
121.10151	25.6
123.08054	3.0
123.11728	10.8
125.09629	5.4
128.06261	3.5
129.06982	13.0
131.08559	39.4
133.08647	3.4
133.10144	38.7
135.08093	7.9
135.11707	25.8
137.06017	2.7
137.13307	4.3
141.07024	3.1
142.07843	3.3
143.08551	16.6
144.09422	2.5
145.10130	37.1
147.08034	3.5
147.11702	29.3
149.09673	4.9
149.13293	9.5
153.12764	3.6
155.08546	7.0
157.10138	16.8
159.11690	28.0
161.13271	15.3
163.11253	7.6
163.14891	3.4
169.10159	5.4
171.11720	12.9
172.12201	3.0
173.13315	13.2
175.11255	3.6
175.14859	9.9
177.16299	3.9
181.10207	2.6
183.11781	6.7
185.13327	10.5
187.14850	6.3
189.16452	3.3
195.11835	3.4
197.13225	2.9
199.13286	3.3
199.14885	5.2
201.12755	2.8
201.16472	4.4
203.14302	3.0
209.13258	3.4
213.16479	7.2
215.18021	6.0
219.17548	6.9
221.15492	6.9
225.16357	4.2
231.21225	3.0
235.20763	3.2
239.17841	3.4
241.19580	9.9
256.26352	3.0
257.19110	11.3
259.20627	18.3
275.20044	19.2
309.24118	28.2
311.25876	14.9
311.29004	2.8
312.29855	3.3
315.17862	3.2
333.24371	11.3
335.25900	3.4
493.40680	7.4
505.35965	2.9
511.41656	3.0
519.37085	5.4
551.39496	6.9
567.43988	10.7
584.55188	4.5
585.26611	7.8
585.37939	5.2
585.45239	100.0
585.56189	10.6
586.45630	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	586.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
55.05500	2.5
56.59978	0.8
67.05490	1.9
67.54484	0.7
69.03432	8.3
69.07075	5.3
69.19864	0.8
79.05502	4.6
81.03400	2.8
83.04990	1.7
85.06555	1.3
95.04955	1.0
97.02895	2.3
97.06536	39.2
98.06844	0.8
99.04436	2.2
99.96928	0.9
113.06011	3.4
117.03371	2.4
134.00081	0.7
135.04417	2.9
145.02844	3.8
145.86945	0.9
159.04442	2.6
161.02374	5.2
163.03914	29.1
173.02361	12.0
184.65085	0.8
185.05945	1.2
193.91982	0.9
213.09149	0.8
215.07030	21.0
216.07193	1.0
229.32407	0.9
241.08641	8.5
257.42200	0.8
259.09674	100.0
260.09967	5.2
339.12213	0.9
421.14862	3.9
501.16788	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54063	2.5
51.80741	2.4
53.03942	4.1
55.01881	6.0
55.05515	33.7
57.03441	17.2
57.07065	10.1
59.05009	3.0
67.05504	15.1
68.98161	7.4
68.98579	15.0
69.07069	34.7
71.01360	3.2
71.04973	4.6
71.08636	6.6
79.05492	27.2
81.03417	21.5
81.07065	23.3
83.01337	2.9
83.04977	10.4
83.08620	33.1
85.02888	3.1
85.10176	4.1
91.05453	13.9
93.07056	29.2
95.04951	5.2
95.08619	11.9
97.02890	7.1
97.06543	10.5
97.10181	19.6
98.22633	4.9
99.04424	4.1
105.07047	8.0
107.04958	13.2
107.08619	14.4
109.06544	3.6
109.75871	2.3
111.04443	16.5
111.08089	6.9
111.11719	6.0
113.31800	2.5
117.07011	7.4
119.08589	7.9
121.06490	5.3
121.10148	12.1
123.08100	3.1
125.06033	5.1
129.07031	2.9
131.08588	3.6
135.11700	9.8
145.10106	14.7
147.08057	3.9
153.12712	5.8
159.32751	2.7
161.92274	2.2
163.11191	19.9
173.09654	5.6
178.66544	2.3
181.12241	5.9
191.10648	6.6
209.11740	11.2
211.99608	2.4
223.13373	15.2
227.12788	8.6
231.90353	2.4
241.14384	26.1
242.14699	2.6
254.26099	2.6
265.14328	15.8
283.15378	14.4
297.17010	3.3
311.25784	100.0
312.26102	5.7
315.17969	38.3
501.35318	5.5
519.36798	44.5
520.36682	4.5
551.39417	61.8
552.39294	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	586.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	3.5
56.00099	0.5
57.07078	34.2
61.58352	0.5
67.05499	2.3
69.07007	2.5
69.07394	2.7
71.08633	23.9
73.06551	8.9
79.05487	1.7
81.07066	1.3
83.08614	2.3
85.10184	21.1
87.04472	7.6
89.06033	100.0
90.06377	1.6
91.05491	2.3
91.07626	1.0
93.07032	1.7
95.04961	0.6
95.08611	1.3
97.06521	0.8
97.10169	4.2
98.23341	1.2
99.11730	3.1
105.07046	2.1
107.07082	2.9
107.08572	1.2
110.35419	0.5
111.11732	1.2
113.13295	1.9
117.09142	5.4
119.08563	1.2
121.10130	1.2
130.08665	1.5
131.07082	1.4
131.08597	0.7
133.08603	46.8
134.08963	1.1
135.10199	1.0
143.08493	1.0
145.10156	1.1
147.11807	0.7
155.17960	4.1
161.11740	1.7
175.09717	1.0
177.11214	17.1
192.73450	0.6
199.20584	3.8
221.13782	3.3
239.14894	0.6
240.23235	0.7
243.23178	4.7
244.23506	0.8
265.16550	1.0
283.17627	1.5
287.25839	3.3
327.19897	0.9
351.07159	0.6
366.01559	0.6
371.22937	0.6
415.25394	2.3
453.32724	0.6
551.39105	0.7
569.42383	3.6
586.45319	1.1
587.36462	0.7
609.86292	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	2.6
53.03944	9.0
55.01874	17.3
55.05245	2.7
55.05512	52.7
56.05840	2.6
57.03428	9.6
57.06797	3.2
57.07076	59.2
65.03930	4.1
67.05507	84.8
68.05854	3.3
69.03442	2.4
69.07072	51.4
70.07419	2.3
71.04981	4.1
71.08636	41.7
71.78874	1.9
77.03919	2.4
79.05497	66.7
81.03416	13.2
81.07058	95.3
82.07393	3.0
83.04980	10.4
83.08620	30.9
85.06537	3.2
85.10191	16.6
86.42677	2.5
89.51257	2.2
91.05486	76.9
92.05786	2.8
93.07047	64.2
93.07632	4.2
94.35223	2.1
95.01322	11.5
95.04983	14.9
95.08607	74.9
96.08932	3.0
97.02916	3.8
97.06535	21.5
97.10166	12.7
99.04487	2.0
99.08092	6.2
103.05437	3.5
105.04565	2.8
105.07032	84.7
106.07365	3.4
107.04964	20.4
107.08590	29.8
109.06501	8.1
109.10157	27.4
111.04496	4.9
111.08086	6.1
111.11745	3.3
115.05474	4.0
115.45360	1.9
117.07011	27.0
119.08580	55.1
120.08962	2.3
121.06493	5.4
121.10155	23.6
123.04416	2.9
123.08051	5.4
123.11693	8.8
125.06065	3.3
125.09643	2.3
128.06215	3.2
129.07007	9.1
131.08575	40.5
133.06432	3.0
133.10129	54.2
134.10461	3.4
135.08087	6.8
135.11662	19.0
137.09619	6.5
141.06941	4.7
143.08563	6.7
145.06537	3.0
145.10114	39.9
147.11691	26.1
149.09604	8.9
149.13289	8.5
151.11218	3.7
151.17052	2.4
156.04463	2.0
157.10117	8.2
159.11722	17.8
161.13223	12.5
163.11163	12.5
165.09137	3.3
171.11659	5.5
173.13251	9.7
175.14815	4.5
177.12766	3.8
179.14294	23.1
183.11737	3.7
185.13216	4.4
187.11177	4.1
187.14841	4.1
201.16444	4.2
203.14317	3.9
219.17432	49.8
223.13239	3.4
237.22018	3.1
239.23540	5.9
241.14374	9.3
241.19490	3.4
247.20656	3.2
249.11018	4.9
257.19043	17.6
257.24911	2.4
259.20587	8.5
275.20059	100.0
276.20422	6.4
277.21411	2.5
283.15518	3.7
293.20972	6.3
311.25735	9.4
313.27399	21.8
315.18066	5.4
331.22705	3.9
333.24365	4.6
339.28812	4.0
349.23798	3.1
521.38232	8.4
553.40546	6.6
569.45184	4.2
587.38708	55.3
587.46558	98.3
588.39081	9.4
588.47211	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	587.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	2.6
53.03944	9.0
55.01874	17.3
55.05245	2.7
55.05512	52.7
56.05840	2.6
57.03428	9.6
57.06797	3.2
57.07076	59.2
65.03930	4.1
67.05507	84.8
68.05854	3.3
69.03442	2.4
69.07072	51.4
70.07419	2.3
71.04981	4.1
71.08636	41.7
71.78874	1.9
77.03919	2.4
79.05497	66.7
81.03416	13.2
81.07058	95.3
82.07393	3.0
83.04980	10.4
83.08620	30.9
85.06537	3.2
85.10191	16.6
86.42677	2.5
89.51257	2.2
91.05486	76.9
92.05786	2.8
93.07047	64.2
93.07632	4.2
94.35223	2.1
95.01322	11.5
95.04983	14.9
95.08607	74.9
96.08932	3.0
97.02916	3.8
97.06535	21.5
97.10166	12.7
99.04487	2.0
99.08092	6.2
103.05437	3.5
105.04565	2.8
105.07032	84.7
106.07365	3.4
107.04964	20.4
107.08590	29.8
109.06501	8.1
109.10157	27.4
111.04496	4.9
111.08086	6.1
111.11745	3.3
115.05474	4.0
115.45360	1.9
117.07011	27.0
119.08580	55.1
120.08962	2.3
121.06493	5.4
121.10155	23.6
123.04416	2.9
123.08051	5.4
123.11693	8.8
125.06065	3.3
125.09643	2.3
128.06215	3.2
129.07007	9.1
131.08575	40.5
133.06432	3.0
133.10129	54.2
134.10461	3.4
135.08087	6.8
135.11662	19.0
137.09619	6.5
141.06941	4.7
143.08563	6.7
145.06537	3.0
145.10114	39.9
147.11691	26.1
149.09604	8.9
149.13289	8.5
151.11218	3.7
151.17052	2.4
156.04463	2.0
157.10117	8.2
159.11722	17.8
161.13223	12.5
163.11163	12.5
165.09137	3.3
171.11659	5.5
173.13251	9.7
175.14815	4.5
177.12766	3.8
179.14294	23.1
183.11737	3.7
185.13216	4.4
187.11177	4.1
187.14841	4.1
201.16444	4.2
203.14317	3.9
219.17432	49.8
223.13239	3.4
237.22018	3.1
239.23540	5.9
241.14374	9.3
241.19490	3.4
247.20656	3.2
249.11018	4.9
257.19043	17.6
257.24911	2.4
259.20587	8.5
275.20059	100.0
276.20422	6.4
277.21411	2.5
283.15518	3.7
293.20972	6.3
311.25735	9.4
313.27399	21.8
315.18066	5.4
331.22705	3.9
333.24365	4.6
339.28812	4.0
349.23798	3.1
521.38232	8.4
553.40546	6.6
569.45184	4.2
587.38708	55.3
587.46558	98.3
588.39081	9.4
588.47211	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	587.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.4
55.01876	3.6
55.05510	24.7
57.03433	7.6
57.07072	14.3
58.14372	0.6
65.03946	3.6
67.05502	65.6
68.05849	1.7
69.03423	0.7
69.07065	34.1
71.05001	3.2
71.08630	9.6
73.06583	1.0
77.03924	1.0
78.04722	0.6
79.05489	39.6
81.03426	0.9
81.07054	65.4
82.07391	1.8
82.61855	0.6
83.04990	2.8
83.08620	18.5
85.06549	3.3
85.10178	3.2
89.06050	0.7
89.58559	0.7
91.04900	1.2
91.05015	0.6
91.05475	31.8
93.07039	49.4
94.07371	0.6
95.04948	3.7
95.08602	49.9
95.87123	0.6
96.08981	0.7
97.06528	6.1
97.10157	10.9
99.08105	4.1
103.05453	0.9
105.04510	1.1
105.07027	31.3
106.07317	0.8
107.04940	1.2
107.07857	1.5
107.08588	30.6
108.08882	0.7
109.06533	2.4
109.10149	24.3
110.10494	0.8
111.08087	4.3
111.11729	2.6
113.09662	2.0
115.05544	0.7
117.07001	9.6
119.08575	27.3
120.08946	1.2
121.06539	1.1
121.10136	25.9
123.08080	2.3
123.11700	13.2
124.12103	1.2
125.09633	2.5
127.11164	0.7
128.06197	1.0
129.07007	3.3
130.07828	1.0
131.08569	20.7
133.10124	26.9
134.10454	1.0
135.08086	1.7
135.11687	21.3
135.12680	1.4
136.92992	0.6
137.09633	1.7
137.13234	5.0
139.11203	1.4
141.07007	1.8
142.07771	0.7
143.08549	7.7
145.10106	19.2
147.11679	19.1
147.12750	1.2
149.08672	0.6
149.09589	3.4
149.13255	10.2
151.11215	2.5
151.14795	1.7
153.12701	0.6
155.08545	1.6
157.10129	5.9
159.11682	14.3
161.09648	1.8
161.13251	12.5
163.11208	3.5
163.14821	6.2
165.16400	0.7
169.10155	2.8
171.11676	6.9
173.13246	9.5
175.11205	1.2
175.14799	7.9
175.16223	0.9
177.12784	1.0
177.16428	2.9
179.14323	3.6
181.10089	0.8
183.11736	2.8
185.13245	6.6
187.11263	1.1
187.14830	6.2
189.12749	1.0
189.16377	4.0
191.17969	2.1
197.13322	2.2
199.13361	0.8
199.14894	3.3
201.12723	0.8
201.16376	3.6
203.14284	0.8
203.18019	2.8
205.15945	1.0
205.19463	3.2
211.14832	1.7
213.14709	0.9
213.16447	2.3
215.17940	5.1
217.19531	4.1
219.17462	2.7
219.21126	1.6
223.16982	0.8
225.16490	0.8
227.18025	1.5
229.19530	1.8
231.17465	1.8
231.21136	2.0
233.15463	0.8
233.19043	5.2
233.22679	2.1
235.20667	2.3
239.18004	1.8
241.19594	4.0
243.21138	2.9
245.19011	0.7
245.22653	1.4
247.20711	1.8
247.24292	1.0
253.19731	0.8
257.18964	3.4
257.22690	1.1
258.19601	0.7
259.20508	7.4
259.24368	0.9
261.22147	11.2
267.21326	0.7
269.22995	0.7
271.20703	0.8
273.22241	2.4
275.20081	7.3
277.21716	3.2
279.23172	1.2
283.22809	0.9
285.22217	1.1
285.25516	0.7
287.23557	1.5
289.25153	1.3
293.20978	1.2
295.22620	1.1
297.24292	1.3
301.25125	0.8
307.22757	2.9
309.24268	11.8
311.25705	6.2
313.27454	2.3
315.26715	0.8
317.24811	1.8
329.24881	0.9
329.28513	1.6
331.22833	1.0
333.24243	2.8
335.25790	8.0
337.27173	4.3
343.26120	0.8
343.29977	0.9
347.25723	0.9
353.27280	1.2
357.31537	0.9
371.33179	1.1
383.33237	1.7
397.34851	1.5
401.34174	0.7
475.38412	1.1
477.41013	3.1
489.39233	2.9
491.37378	1.0
495.41898	9.7
496.42444	1.9
503.37259	1.4
513.43109	4.6
517.39154	1.4
569.45563	13.5
570.45953	1.9
587.46667	100.0
588.46948	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	588.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	5.6
55.05516	34.1
57.03442	15.6
57.07087	14.2
62.51513	2.5
67.05511	31.6
69.03447	3.6
69.07080	32.2
69.53709	12.5
70.24699	3.0
71.01350	11.2
71.08639	10.0
79.05489	25.2
81.03416	4.3
81.07054	35.5
83.04981	6.0
83.08624	27.2
83.14232	3.1
85.06667	2.7
85.10202	7.6
91.05483	19.3
93.07047	17.0
95.05013	5.0
95.08606	18.2
97.06541	8.5
97.10191	22.5
105.07018	13.7
106.07362	3.0
107.08603	16.2
109.10150	12.4
111.11727	4.8
117.07014	6.7
119.08595	11.0
121.06528	3.1
121.10151	4.6
125.09631	6.4
131.08533	5.3
133.10152	8.4
135.08055	6.0
135.11659	4.0
137.09616	3.6
145.10205	3.8
146.10480	3.2
148.38330	2.7
159.11725	3.0
161.09694	3.4
163.11253	4.1
165.48204	2.8
173.13307	4.0
189.09283	3.2
196.29980	3.0
225.11247	10.8
239.18088	3.2
257.19095	3.4
275.19913	5.5
276.20334	4.4
299.14917	100.0
300.15170	3.1
311.25793	76.2
312.26004	3.7
313.27463	5.0
314.27792	4.9
357.26492	3.7
528.21558	3.6
535.36298	53.7
536.36469	5.1
544.24115	4.4
579.15094	3.2
588.23444	14.3
588.46887	13.1
589.41663	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	588.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90478	1.6
53.03942	4.3
55.01878	6.2
55.05517	16.5
57.03444	11.4
57.07080	41.5
57.27361	1.5
60.82767	1.7
64.42171	1.7
67.05504	25.6
69.07066	12.2
71.01373	2.6
71.04987	4.1
71.08635	26.6
73.66347	1.6
79.05499	26.1
79.49780	1.8
81.03424	18.1
81.07064	33.6
83.01355	2.1
83.04991	6.0
83.08633	12.6
85.02906	2.6
85.06543	4.0
85.10178	14.1
89.06041	2.7
91.05488	19.9
93.07041	23.8
95.04996	9.2
95.08608	27.1
96.08926	2.6
97.02919	5.9
97.06537	5.4
97.10163	5.2
105.07040	15.0
107.04952	11.9
107.08601	13.5
109.06520	6.2
109.10135	10.0
111.04432	16.3
111.11670	1.9
117.07031	7.2
119.08562	13.0
121.06506	4.8
121.10153	7.6
123.08069	6.6
123.11723	3.7
125.06005	4.8
129.07024	4.5
131.08589	9.2
133.10118	4.9
135.11723	9.0
143.08513	2.0
145.10121	16.5
147.08032	3.8
147.11728	5.3
153.12779	6.6
161.13284	4.2
163.11171	21.4
173.09654	7.0
181.12228	2.0
191.10680	7.0
206.43814	1.6
209.11780	8.4
223.13258	12.0
227.12839	6.0
229.29340	1.7
239.23676	4.5
241.14352	25.6
241.19547	5.1
259.20667	9.9
265.14355	5.7
283.15381	12.4
312.26138	1.8
313.27350	100.0
314.27640	5.0
315.18060	29.3
315.22067	3.0
315.23035	2.9
333.24298	5.1
442.51788	1.8
503.37061	5.4
521.38464	35.3
522.38904	2.9
553.40991	31.1
554.40601	3.7
588.47052	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	588.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.01871	5.7
55.05512	17.7
57.03445	13.6
57.07079	37.4
59.04992	2.3
60.72958	1.4
67.05509	26.3
69.07063	15.2
71.01370	4.2
71.05006	2.8
71.08634	27.2
78.85359	1.3
79.05492	23.2
81.03416	22.9
81.07052	28.2
83.01333	2.1
83.04988	10.7
83.08622	12.6
85.02908	2.9
85.06537	2.6
85.10184	10.9
89.06021	1.6
91.05492	12.0
93.07047	26.3
95.04975	8.9
95.08606	24.8
97.02898	7.8
97.06518	10.1
97.10164	4.2
100.82354	1.5
105.07026	10.1
107.04966	16.6
107.08588	12.7
108.15523	1.5
109.06554	8.5
109.10142	8.4
111.04446	31.8
111.08081	3.8
111.11792	1.6
113.05975	2.1
117.07012	10.1
119.08594	10.6
121.06510	7.7
121.10126	9.8
123.08094	6.0
123.11714	3.1
125.05990	6.8
127.07571	1.8
129.07050	2.6
131.04883	1.5
131.08604	7.7
133.10156	2.2
135.08064	2.9
135.11659	12.4
137.09596	2.5
137.13231	1.5
145.06480	1.9
145.10121	18.8
147.08070	3.2
149.09601	1.7
153.12758	5.9
155.08575	2.3
163.11188	23.4
173.09625	7.2
181.12253	5.2
191.10626	9.5
209.11728	17.9
217.80222	1.8
223.13271	22.9
227.12726	9.8
239.23701	4.3
241.14340	45.4
242.14729	2.8
259.20633	1.6
265.14383	11.5
283.15393	22.0
313.27344	100.0
314.27563	6.1
315.18027	45.5
316.18362	3.0
445.38315	2.0
503.37167	8.8
521.38361	47.9
522.38660	6.9
553.32990	2.8
553.40961	39.1
554.41089	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	589.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87257	1.2
53.03953	4.8
55.01865	1.4
55.05246	1.6
55.05512	22.6
57.03439	13.7
57.07077	50.4
59.05006	1.2
65.03936	3.7
67.05506	58.4
69.03410	1.4
69.07072	20.1
71.05005	2.4
71.08631	35.5
76.06797	1.3
76.85095	1.2
79.05492	39.5
80.06406	1.3
81.07057	62.6
83.04988	1.7
83.08620	18.2
85.06541	3.1
85.10187	17.6
89.06029	2.2
90.95631	1.3
91.05482	53.3
93.07040	55.4
94.07394	1.9
95.04968	4.3
95.08604	56.7
97.06544	2.8
97.10172	9.1
98.23376	3.8
99.08114	3.1
103.05479	1.3
105.04559	2.4
105.07027	63.0
107.08595	29.6
109.06497	2.3
109.10151	22.8
111.08061	2.8
117.07027	15.8
119.08578	56.7
120.08900	1.4
121.06473	1.4
121.10139	22.1
123.11726	9.1
125.09613	1.7
128.06210	2.3
129.05525	2.3
129.06976	9.7
131.08571	22.0
132.52174	1.3
133.10132	45.0
135.11676	20.2
137.09589	1.7
137.13252	4.0
141.97673	1.5
143.08560	8.0
145.10114	18.2
147.11684	52.2
149.09605	3.3
149.13246	12.3
151.11209	1.8
157.10103	8.7
159.11693	19.6
160.98320	1.3
161.13255	33.4
163.11237	3.1
163.14833	4.1
171.11664	11.4
173.13289	11.2
175.14810	13.9
180.93117	1.2
185.13274	8.4
187.14769	3.9
189.12746	2.5
199.14850	6.0
203.14244	1.8
213.16383	2.6
217.19572	2.4
231.21121	9.9
239.23676	7.1
241.19522	33.5
243.21127	3.4
257.24789	3.7
259.20575	85.6
260.20981	3.1
261.22119	2.9
275.20120	1.8
277.21643	5.5
286.77026	1.4
311.26007	3.4
313.27344	100.0
314.27707	5.6
315.23105	8.5
319.96899	1.5
333.24225	47.7
334.24811	2.9
335.25705	1.8
351.25204	1.8
365.76648	1.2
390.76804	1.4
497.43536	2.8
505.06064	1.6
566.71741	1.7
571.47308	9.1
589.48126	16.5
600.66962	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.5
55.01877	2.7
55.05512	15.1
57.03442	11.5
57.07078	45.3
58.07417	1.9
65.03944	1.8
67.05507	34.2
68.05834	2.1
69.07069	14.3
69.12426	6.5
71.01369	1.1
71.04998	2.8
71.08636	27.7
72.08962	1.7
77.03945	1.1
79.05495	25.4
80.05814	1.7
81.03422	7.3
81.07060	41.8
82.07415	1.1
83.04977	3.2
83.08618	17.5
84.08946	1.0
85.02892	1.1
85.06534	1.6
85.10184	17.6
89.06035	1.8
91.04903	1.1
91.05481	28.4
93.07044	31.0
94.07367	1.8
95.04975	5.7
95.08608	34.6
96.08913	1.7
97.02934	1.5
97.06531	3.7
97.10164	6.8
99.08093	3.8
103.07562	1.3
105.07034	32.4
106.07352	1.5
107.04960	3.4
107.08600	15.7
109.06521	2.3
109.10155	14.6
111.04446	3.4
111.08115	2.2
111.11707	1.2
112.04762	2.0
113.09669	1.2
115.05436	1.7
117.07008	9.0
119.08580	31.0
121.06548	1.3
121.10153	13.0
122.10496	1.1
123.08121	1.2
123.11677	4.8
125.05978	1.5
128.06236	1.0
129.07001	5.2
130.07741	1.1
131.08578	14.6
132.08914	1.0
133.10133	20.3
134.10471	0.9
135.08128	1.0
135.11693	13.4
136.12074	1.3
137.09624	0.9
137.13245	2.6
143.08542	4.7
145.10123	14.1
146.10457	1.4
147.08098	1.2
147.11688	23.9
148.12123	1.5
149.09630	1.9
149.13283	7.2
151.11172	1.1
153.12691	1.2
157.10118	6.9
159.11685	9.6
161.13257	20.9
162.13560	0.9
163.11206	5.8
163.14827	2.2
164.11569	1.9
165.36508	0.8
171.11664	7.8
173.09723	1.1
173.13252	6.8
175.11227	0.9
175.14816	10.4
179.14313	2.2
185.13286	6.1
185.14731	1.0
187.14806	3.2
189.12775	1.5
189.16367	1.1
191.10712	1.2
192.11024	1.4
199.14804	2.8
201.16385	0.9
209.11803	1.8
210.11996	1.7
213.16418	1.6
223.13341	2.6
224.13548	2.0
225.04111	1.0
231.21033	5.6
239.23680	6.1
241.14359	5.3
241.19524	26.2
242.14706	3.9
242.19856	1.4
257.19168	1.0
257.24927	1.9
259.20581	51.7
260.20859	4.1
267.15933	6.8
275.20078	1.3
277.21661	3.5
283.15390	2.4
284.15778	1.8
313.27362	100.0
314.27689	18.4
315.18109	5.1
315.23157	4.4
316.18430	4.4
321.93539	0.9
333.24246	37.8
334.24561	1.4
351.25436	2.1
478.93753	0.9
494.35892	1.0
497.43466	1.7
504.37634	1.9
505.38867	4.5
522.38727	9.5
554.41321	7.7
571.47235	7.1
572.47028	1.1
589.40234	1.2
589.48279	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.7
53.97614	2.2
55.01877	3.2
55.05513	19.9
57.07079	31.4
64.84449	1.7
65.03966	3.3
67.05508	49.8
69.06068	10.1
69.06488	6.5
69.06789	2.4
69.07075	19.5
71.08636	52.1
79.05493	33.3
81.03425	6.4
81.07056	55.1
83.04986	6.1
83.08623	16.3
85.06541	2.5
85.10192	12.3
91.05491	30.3
93.07050	49.5
95.04969	7.3
95.08607	50.4
97.06519	7.5
97.10177	9.9
99.08093	21.1
105.07015	19.0
107.04976	4.5
107.08594	20.9
109.06532	3.1
109.10159	20.1
111.04469	2.8
111.08092	3.8
113.09612	3.2
117.07026	5.8
119.08579	18.7
121.10152	22.0
123.08092	2.4
123.11707	5.2
131.08568	8.6
131.18631	2.3
133.10135	13.8
135.11690	27.9
137.05969	14.4
137.09595	4.0
141.09113	4.6
143.08582	2.8
145.10173	8.5
147.08073	2.0
147.11714	10.0
149.13301	9.6
151.11191	13.1
157.10114	3.8
159.11682	5.6
161.13272	12.9
162.13681	2.4
163.11214	6.9
163.14879	2.4
165.12805	2.9
167.10751	3.0
171.11708	4.9
175.11255	2.1
175.14757	2.6
177.12785	5.7
179.14317	100.0
180.14639	3.6
185.13264	2.5
195.13953	2.0
199.14873	3.4
200.22295	1.9
221.15414	2.7
231.17395	3.0
231.21138	3.6
235.16949	5.0
239.23631	3.3
241.19600	7.2
242.65492	1.9
259.20554	18.2
277.18170	11.1
277.21594	68.5
278.22070	4.7
295.22592	5.1
311.25620	2.4
312.03867	2.1
313.27371	16.7
333.24338	6.3
347.65292	1.9
352.86240	2.3
589.40338	14.2
589.48004	70.3
590.48389	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	590.244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74313	0.3
53.03946	0.5
55.01877	0.6
55.05516	0.5
55.09585	0.3
57.03434	0.9
59.47708	0.3
61.02924	1.2
63.57130	0.3
65.03951	1.1
66.34035	0.3
69.03428	3.3
70.06590	1.3
71.05004	0.7
71.28162	0.3
73.02919	0.7
75.78187	0.3
79.05480	0.5
81.03405	1.8
81.07047	0.3
81.81136	0.3
83.04960	0.8
85.02904	13.1
85.06533	2.8
87.04482	0.4
91.03983	0.3
91.05478	6.5
93.07025	0.6
97.02884	3.8
97.06525	1.1
99.04463	0.9
105.07068	0.4
107.08574	0.3
107.32478	0.3
109.02863	1.2
115.03936	0.3
117.07014	0.5
119.04945	17.7
120.08091	1.0
122.09655	0.9
123.04436	1.0
123.10011	0.6
127.03911	2.8
137.05992	0.7
138.09077	0.4
145.04948	4.7
147.04407	100.0
148.04733	3.0
163.03918	0.6
163.06030	1.4
165.05475	42.7
166.05826	1.0
166.08607	0.4
173.21159	0.3
175.07576	0.4
175.09538	0.5
175.22885	0.3
189.05551	0.3
192.10211	0.3
195.07991	0.4
213.09088	0.8
215.07047	0.6
229.10593	0.6
231.10164	8.4
232.10602	0.4
235.09569	0.4
235.38158	0.3
259.09869	1.6
261.08725	1.0
262.08987	0.4
309.09494	0.7
314.66107	0.4
393.15500	3.0
394.15991	0.4
421.14496	0.9
453.18439	0.7
590.26251	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33154	1.7
53.03965	2.5
55.01865	4.0
55.05508	10.7
57.03432	6.0
57.07074	15.6
58.39769	2.0
59.04994	2.4
61.02930	3.7
67.05505	21.7
69.03432	36.3
69.16891	14.4
70.06608	2.9
71.04986	8.2
73.02933	11.4
81.03417	51.2
81.03865	4.0
83.04982	100.0
84.08099	2.4
84.53120	1.9
85.02900	12.5
85.06542	82.0
87.04482	2.5
95.04962	4.7
97.02897	8.8
99.04442	21.4
101.06009	33.8
103.07527	2.3
113.06019	2.6
115.03918	14.8
123.04443	3.4
125.02351	5.0
127.03896	3.1
133.04967	37.4
145.04970	4.9
147.04445	2.3
179.03276	2.1
179.05489	26.8
181.08575	3.0
184.25146	1.9
225.07663	2.5
243.08665	17.4
259.08087	7.0
263.11237	26.8
287.04269	2.5
343.13867	31.3
361.14828	3.5
505.55267	2.2
559.16058	4.7
591.18616	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.01877	4.0
55.05513	22.3
57.03435	13.2
57.06793	1.8
57.07076	29.2
67.05502	31.6
68.05847	1.2
69.03460	11.0
69.07070	10.3
71.01353	12.7
71.05004	2.2
71.08627	21.4
73.02926	1.6
79.05492	17.0
81.03424	2.7
81.07056	26.0
81.07529	1.5
83.04977	3.0
83.08628	12.0
85.10178	12.5
89.06030	2.3
91.05480	12.7
93.07049	9.9
95.04958	3.4
95.08613	20.0
95.14542	1.0
97.02900	1.2
97.06533	3.7
97.10168	10.1
98.23296	2.2
103.07608	1.1
105.07039	8.3
107.04965	2.0
107.08599	9.7
109.06519	3.0
109.10149	15.6
111.08089	1.7
111.11712	1.2
117.07019	3.8
119.08602	3.0
121.06496	1.3
121.10124	2.0
123.08097	1.5
123.11718	3.0
125.09618	5.0
133.10129	3.6
135.08072	2.5
137.13292	1.4
139.11113	1.1
153.09082	1.8
161.09656	1.6
171.10202	1.2
179.10641	1.3
197.11671	1.1
207.10085	1.2
225.11197	14.8
225.13225	1.3
239.23784	2.7
243.12370	2.3
257.24744	2.1
299.14877	100.0
300.15268	3.5
312.14716	1.0
313.27335	98.6
314.27682	5.7
317.15994	1.7
537.29657	2.4
537.37836	49.8
538.38068	3.9
591.38403	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.9
55.05505	14.9
57.03439	16.1
57.07075	49.1
67.05501	34.0
68.05831	3.8
69.03399	3.8
69.07011	46.8
71.05005	5.2
71.08627	38.3
72.08984	4.3
72.34145	4.2
78.38966	3.9
79.05503	19.2
81.03420	43.7
81.07055	41.0
82.07384	5.2
83.04983	4.5
83.08603	24.4
85.06560	4.6
85.10175	22.3
91.05488	21.7
93.07034	21.1
94.07404	5.9
95.04980	17.1
95.08608	45.5
96.08945	5.8
97.06488	4.9
97.10177	5.0
98.23398	8.4
99.08096	4.6
103.41927	4.8
105.06998	22.2
106.07411	5.7
107.04974	5.7
107.08595	12.7
108.08954	4.5
109.10175	17.0
111.08077	7.3
111.51120	4.1
117.07040	8.2
119.08569	21.2
120.08932	6.6
121.10139	10.9
122.10441	4.6
123.11737	5.6
129.07008	6.8
131.08553	13.2
133.10132	14.4
135.11711	8.2
145.10127	9.3
147.11678	17.7
149.09592	5.1
159.11766	5.3
161.13297	11.1
162.13544	5.8
175.14793	6.9
179.14337	11.7
180.14665	4.8
190.39589	4.5
193.12215	19.9
224.13603	5.2
239.23851	7.5
241.19475	5.9
242.19910	5.6
259.20685	20.2
260.20956	17.8
267.15878	69.1
277.21613	4.8
278.21838	4.7
313.27341	100.0
314.27704	43.7
315.28058	8.9
333.24298	9.5
334.24481	10.2
380.65604	3.8
505.31549	5.6
505.38849	52.6
506.39502	5.4
572.47339	4.3
590.48431	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	591.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57831	0.4
56.96553	1.6
69.03416	1.6
81.03419	0.6
83.05001	0.7
84.96038	1.0
85.02892	0.8
96.85527	0.5
97.02898	1.1
98.23357	1.3
98.97553	3.4
110.97574	1.6
116.98596	1.4
119.01959	0.7
125.16653	0.5
128.98602	1.1
147.04396	0.9
158.99699	1.3
161.02934	1.0
170.99614	0.6
177.00699	0.7
189.00587	0.7
190.49855	0.5
197.01234	0.9
213.00677	1.0
214.95450	0.6
215.02133	0.6
219.01796	1.5
221.04938	0.6
223.04855	0.7
232.96509	0.9
237.02809	1.8
299.07364	12.3
303.07657	0.6
315.04633	13.9
315.07852	0.8
316.05237	0.7
332.06458	0.6
333.04953	0.6
351.09653	0.6
411.06012	0.7
429.07556	0.6
462.06781	1.3
485.34296	0.6
591.13367	100.0
592.13660	8.8
598.86511	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.3
55.05494	0.2
57.03426	0.2
67.05487	0.5
69.00627	0.4
69.01022	1.5
69.03419	0.2
69.07059	0.2
69.78831	0.2
70.06593	0.2
73.82668	0.2
79.05495	1.0
80.05013	0.5
81.03397	0.3
81.05775	0.3
81.07059	0.6
83.04970	0.2
85.02905	0.5
91.05454	0.5
92.04985	0.2
93.07037	0.6
94.06564	1.6
95.04947	0.3
95.08588	0.5
97.06535	0.4
105.07029	1.1
106.06546	2.6
107.07334	13.3
119.04964	0.2
119.07346	0.2
119.08595	0.2
120.08104	0.5
121.08877	0.2
122.06102	1.4
122.09663	100.0
123.10009	2.1
124.07635	0.3
124.11227	0.5
127.03918	0.2
131.08575	0.3
132.18651	0.2
133.08879	0.2
133.10092	0.2
136.07552	1.4
140.07114	0.3
146.05946	0.2
148.11206	1.4
152.06998	0.2
163.03920	0.6
164.07060	1.9
173.02379	0.2
174.09122	0.3
176.10704	2.9
177.06590	0.8
181.09711	2.5
188.07092	0.4
191.08154	2.2
199.08733	0.2
200.10843	0.2
202.08881	1.4
203.08122	0.5
204.06667	0.2
213.05447	0.2
213.10313	0.2
217.09714	1.0
221.39798	0.2
226.09004	0.2
230.08122	1.0
231.07782	0.2
233.09113	0.3
243.11417	0.2
245.09203	0.4
248.09244	0.7
255.11243	0.6
257.09311	0.2
259.10760	0.6
261.08691	8.9
262.08896	0.4
263.10196	0.4
265.12012	0.3
271.10791	0.2
272.09204	0.5
285.09140	0.3
285.12350	1.0
287.10342	1.8
290.10217	0.3
299.09012	0.3
307.12796	1.0
313.08237	0.4
315.09940	0.3
315.13361	4.8
316.13925	0.2
321.14612	0.3
333.10818	0.3
337.14694	0.2
355.15475	0.3
380.15927	0.3
390.18243	0.4
398.17059	2.5
398.21735	0.2
406.17679	0.5
418.17737	0.3
424.18481	0.8
436.18594	3.8
436.24088	0.2
437.18988	0.3
452.18350	0.4
454.19821	0.8
470.19193	4.2
471.19827	0.3
527.26520	0.3
555.10736	0.2
559.09143	0.5
559.17828	9.9
560.18390	1.0
573.27130	2.8
591.20380	12.1
591.28424	2.1
592.20605	1.3
592.28925	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.9
57.03439	1.3
57.07088	2.7
67.05513	2.6
69.04014	1.9
69.04428	3.3
69.07082	3.7
71.05006	0.6
71.08630	2.0
79.05484	2.2
81.07040	3.4
83.04972	0.6
83.08625	3.2
91.05497	1.6
92.11797	0.7
93.07047	1.9
95.08613	2.1
97.06528	0.6
97.10169	1.6
107.08605	1.6
109.10191	1.4
121.10165	0.7
131.08525	0.8
135.11754	1.0
147.11668	0.7
163.11208	0.8
179.10806	0.5
261.22098	1.0
281.13614	17.6
311.25833	0.8
313.27356	1.8
314.27634	0.7
337.16263	4.9
338.16776	0.8
490.49243	0.6
591.38684	100.0
592.39148	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	591.498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
55.05513	19.2
55.48060	1.3
56.94626	1.3
57.03438	15.6
57.07076	57.3
65.03935	2.6
67.05505	72.7
68.05827	1.3
69.07067	21.0
70.39459	1.5
70.78275	1.4
70.95121	2.6
71.04964	1.8
71.08634	30.4
71.65168	1.3
79.05496	43.4
81.07057	76.7
82.07383	2.0
83.05021	2.0
83.08615	17.3
85.06550	3.0
85.10179	15.8
89.06046	1.8
91.05484	21.5
93.07044	50.3
95.04955	3.4
95.08607	66.6
96.08959	1.9
96.70351	1.3
97.06525	2.4
97.10167	8.8
101.82650	1.3
104.38085	1.4
104.68592	1.3
105.07012	15.9
107.08597	29.0
109.10156	32.5
111.11758	1.8
117.07004	7.9
119.08575	13.4
121.10141	19.3
123.11688	12.1
131.08580	12.5
133.10115	9.5
135.11679	19.5
136.11971	1.4
137.13280	3.3
145.10110	9.8
147.11678	7.7
149.09619	1.6
149.13283	11.2
159.11690	8.1
161.13223	5.3
163.14777	6.6
173.13255	7.7
175.14839	3.4
177.16400	2.6
185.13264	1.8
187.14839	4.3
189.16234	1.7
201.16396	1.6
239.23738	4.9
240.24007	1.6
243.21056	12.2
261.22128	54.3
262.22443	3.0
313.27356	100.0
314.27658	9.7
317.24670	10.9
335.25793	57.2
336.26010	3.3
454.45441	1.5
499.44708	2.3
506.90125	1.6
539.77277	1.6
573.48749	18.0
574.48901	3.1
591.49597	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	591.498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52543	1.2
53.03952	2.6
55.05513	14.9
57.03442	12.1
57.06799	2.0
57.07076	41.7
67.05508	44.8
69.07069	16.8
69.16907	6.1
71.08636	27.3
79.05486	31.8
81.03400	1.3
81.06586	2.8
81.07057	57.9
83.08610	12.3
83.57749	1.4
84.23785	1.5
85.06533	3.1
85.10176	14.5
90.76505	1.2
91.05480	19.0
93.07046	35.4
95.04951	3.1
95.08607	51.6
96.08918	1.6
97.06514	2.7
97.10171	6.1
99.08098	2.6
103.07524	1.6
105.07028	12.5
107.08595	21.6
107.16447	1.3
109.10162	20.7
111.11784	1.3
113.09613	2.7
117.07002	6.1
119.08592	11.6
121.10141	20.7
123.11701	6.8
125.09624	1.8
131.08569	10.9
133.10104	8.0
135.11693	14.2
137.09729	1.6
137.13243	3.5
145.10126	9.4
147.11711	5.4
149.13251	10.6
151.14792	2.4
157.10187	1.6
159.11690	5.6
161.13226	4.6
163.11185	1.5
163.14813	10.8
173.13248	6.1
175.14845	2.1
177.12668	1.9
177.16359	5.2
179.50851	1.4
187.14743	3.4
197.83060	1.6
223.75650	1.6
233.22522	3.0
239.23651	4.8
243.21100	21.4
244.21358	2.2
257.24850	1.7
261.22147	42.4
262.22626	2.3
313.27338	100.0
314.27692	8.6
317.24734	8.4
335.25781	47.9
336.26147	3.7
499.44989	3.3
566.83948	1.4
573.48651	13.3
574.48633	3.1
591.41675	4.6
604.90875	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.5
55.05508	27.2
57.03443	14.6
57.07078	54.4
67.05509	73.1
69.07077	26.6
71.01336	3.3
71.04992	2.4
71.08638	40.4
71.28308	3.4
76.55653	2.4
77.42905	3.1
79.05499	45.7
81.03413	5.3
81.07061	87.3
83.04937	3.1
83.08627	18.5
85.10180	18.4
91.05477	24.3
93.07046	64.4
95.04990	5.4
95.08616	63.1
96.08924	4.1
97.06541	3.7
97.10171	11.6
105.07041	22.0
107.04977	2.7
107.08592	37.8
109.10167	25.4
117.07034	9.1
119.08578	15.5
121.10153	28.6
123.08078	2.9
123.11707	15.5
125.09612	3.1
131.08580	16.8
133.10123	14.8
135.08003	2.9
135.11671	19.7
137.09612	3.0
137.13266	4.0
145.10173	15.0
147.11671	9.9
147.12756	2.9
149.13281	15.5
151.14764	3.0
159.11722	7.8
161.13261	5.2
163.11092	3.4
163.14813	12.0
171.11690	2.5
173.13301	7.6
177.16460	4.2
184.71397	2.6
187.14691	3.4
209.11642	3.8
233.22531	4.5
239.23735	4.3
243.21057	24.6
257.24701	3.1
261.14862	3.1
261.22125	59.7
262.22504	5.1
278.37573	2.6
281.13583	4.5
299.15134	3.3
300.15207	6.5
313.27365	100.0
314.27664	15.1
317.24954	6.3
335.25787	60.7
364.77472	2.7
538.38043	4.7
573.49005	17.2
591.39026	18.1
591.47687	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	592.442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.7
55.05516	21.0
57.03433	15.5
57.07080	39.3
57.21412	3.6
57.56540	3.4
58.47429	3.3
63.64234	3.2
67.05504	44.6
69.07072	19.5
69.56842	15.8
71.08636	27.3
74.42296	3.3
79.05502	31.5
79.36814	3.7
81.03410	5.3
81.07057	34.7
83.04990	9.7
83.08627	14.8
85.02880	3.8
85.06555	4.2
85.10167	15.9
91.05479	32.0
93.07049	30.8
93.69897	3.7
95.04948	5.7
95.08611	31.3
97.02907	6.9
97.06538	5.2
97.10175	10.5
98.23385	3.8
105.07047	11.5
107.04955	9.6
107.08598	13.1
109.10144	17.8
111.04428	23.3
112.77006	3.2
117.07001	10.7
119.08607	9.6
121.06554	4.1
121.10126	21.1
123.11715	4.5
129.07014	3.5
131.08566	11.1
133.10069	4.5
135.11707	9.7
139.11200	4.3
145.10110	14.3
149.09637	7.1
155.08609	4.1
163.11220	9.9
167.10806	5.1
173.09570	5.8
181.12294	4.5
191.10693	11.6
209.11723	97.3
227.12808	29.5
239.23822	4.8
241.14430	7.3
265.14313	3.4
283.15390	62.6
301.16446	61.8
313.27350	100.0
314.27835	5.8
331.45953	3.1
426.79199	3.2
479.37454	3.8
488.24908	6.7
521.38452	19.6
539.39642	24.9
592.26184	40.8
593.26581	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	1.3
57.14596	0.4
70.07643	0.5
70.07990	1.8
93.04087	0.4
98.97588	5.8
110.97555	0.5
116.98609	2.4
125.51643	0.4
128.98656	0.7
143.00179	0.5
155.00166	0.8
158.99715	1.4
170.99719	0.6
177.00716	1.2
189.00816	0.4
197.01199	1.3
199.04588	1.1
215.02299	2.3
219.01854	1.1
221.05014	0.6
233.03282	0.6
237.02925	1.5
257.03427	1.2
301.08762	2.1
315.04727	18.6
316.05273	1.1
317.05746	3.3
333.04990	0.7
335.06473	2.0
375.06403	0.6
420.58231	0.5
593.14697	100.0
594.15179	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	593.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13948	0.9
56.46089	0.8
61.47472	0.8
68.05032	0.9
69.03426	4.2
70.06580	1.2
71.27862	0.8
71.28278	1.0
79.05480	0.9
80.04981	0.9
81.03408	1.5
85.02915	1.8
89.53597	1.0
96.04487	7.1
97.02906	1.0
101.02364	1.2
102.11388	0.8
105.03364	1.2
106.02921	1.2
110.07198	1.3
123.04487	7.1
123.05489	7.9
131.04921	1.1
133.02837	7.3
147.04469	1.0
149.05972	1.5
151.03926	2.4
154.06529	1.3
157.77267	0.9
166.06557	1.6
179.03392	21.2
179.04860	1.5
184.07585	3.0
198.05576	3.2
199.06248	2.5
200.07123	2.5
206.04550	1.5
210.05563	2.9
211.06444	0.9
212.07062	20.3
213.07590	1.0
214.04988	1.7
216.06526	1.6
226.05162	1.0
228.06599	3.8
237.06599	2.7
238.05080	1.7
238.07433	1.1
239.08134	1.1
240.06563	7.0
242.04477	4.2
242.06746	2.1
243.05283	1.3
254.07060	1.5
255.07649	29.5
256.06009	48.2
257.06482	3.4
257.09308	5.1
258.07556	5.6
266.04468	1.5
279.41586	1.0
281.05676	3.0
282.03851	1.5
283.07187	10.5
284.05511	31.3
285.06049	0.9
287.11890	1.1
288.11902	1.0
301.08170	100.0
302.08423	4.9
315.10361	1.2
407.52820	1.0
445.12564	1.1
456.51337	1.1
531.18536	4.1
561.17157	77.1
562.17328	6.6
575.18719	21.3
576.19366	2.8
593.19818	83.1
594.20142	6.3
612.92865	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2755
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
57.03421	0.2
57.07075	0.3
67.05502	0.4
70.78819	0.3
71.08636	0.3
74.96927	0.2
79.05517	0.5
81.07021	0.2
81.90262	0.2
91.05481	0.3
93.07078	0.3
95.08629	0.3
109.89527	0.2
115.72211	0.2
117.07014	0.2
121.10128	0.3
197.10895	0.2
209.11787	0.3
221.10829	0.3
262.86057	0.2
301.16397	0.5
313.27505	0.4
336.15063	0.2
387.16290	0.3
388.17062	0.6
389.17706	1.0
390.18695	0.4
391.19449	0.2
401.17963	0.4
402.18433	0.8
403.19266	2.5
404.19992	1.1
405.20688	1.4
406.21390	0.2
415.19485	0.4
416.20346	0.7
417.16937	0.8
417.21426	3.2
418.21866	2.3
419.17328	0.2
419.22375	3.5
419.27463	0.3
420.22922	0.4
429.17007	0.3
430.17838	0.8
430.22592	0.4
431.18179	6.8
431.23755	0.2
432.18637	2.3
433.24231	5.7
434.24786	1.6
444.24091	0.3
445.19940	8.5
446.20590	4.6
447.21616	4.6
448.22211	0.5
449.23514	0.5
459.21588	3.0
460.22519	9.8
461.23254	7.9
462.23718	0.7
473.23761	2.0
474.24139	0.6
476.25879	0.5
477.22269	0.6
477.27338	0.5
478.23785	0.4
487.24930	0.6
489.27133	0.5
491.24258	0.8
492.24942	0.6
504.20859	0.4
505.21930	5.1
506.22760	0.7
515.24542	0.4
518.23114	0.4
519.23810	0.9
533.25476	21.8
534.25824	2.4
544.32758	0.2
550.25616	0.3
561.24597	0.4
564.23639	0.7
565.28186	0.6
575.26337	0.3
593.27570	100.0
594.27887	12.2
594.38074	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27299	0.7
53.03946	1.4
55.01879	1.8
55.05509	4.4
57.03432	2.4
57.07071	4.4
65.03950	1.3
67.05502	10.6
69.07060	3.2
69.30548	2.5
69.30966	3.8
69.42404	0.8
71.08633	13.5
77.03905	0.9
79.05496	16.1
81.03405	1.4
81.07067	6.2
83.04985	2.7
83.08630	2.2
83.32819	0.8
85.06551	1.6
85.10188	1.2
91.05478	16.8
93.07043	10.1
95.04972	3.5
95.08604	5.5
96.08961	0.8
97.06519	2.1
97.10184	2.3
98.23415	1.6
99.08098	8.8
103.05491	1.1
105.07021	7.3
107.04914	2.0
107.08615	3.0
109.06544	2.1
109.10179	3.8
115.05453	2.3
117.07025	11.2
119.08574	6.0
121.06461	1.3
121.10172	2.7
123.08096	2.4
125.09639	1.9
128.06259	1.6
129.07007	4.0
131.08560	5.5
135.08049	2.8
141.06995	3.0
143.08630	1.7
145.10107	2.7
147.08102	1.5
149.09607	1.5
151.11172	7.0
155.08572	1.6
157.10103	2.6
159.11697	2.0
169.10075	2.2
173.11807	1.4
173.13300	1.3
183.11688	3.0
185.13301	1.9
187.11188	2.2
201.12769	1.6
203.14342	1.7
206.45796	0.9
217.15886	2.2
293.17575	1.4
301.16379	1.0
313.27374	4.5
314.27612	2.7
389.17435	1.3
402.18237	1.8
403.19308	3.7
405.20605	2.3
417.16367	1.8
417.20880	3.3
418.21744	2.7
419.22501	4.6
430.17969	2.3
431.18134	8.2
432.19400	2.8
433.24167	9.4
434.24649	2.0
445.19897	11.6
446.20535	6.0
447.21848	6.3
459.21671	4.6
460.22470	13.5
461.23328	15.3
462.24429	1.2
473.23413	2.9
474.23456	1.1
477.26746	1.5
505.21716	6.3
533.25482	43.3
534.25629	5.3
565.27515	1.3
593.27563	100.0
594.27740	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	593.297
Annotation	Unknow
Peak:m/z	Relative Intensity
63.08846	0.5
67.05480	1.2
69.03420	0.9
69.09167	1.1
69.09561	3.8
71.27798	0.5
79.05447	0.7
80.04990	0.6
81.03382	0.5
81.07035	1.0
94.06559	1.0
97.06506	0.7
105.07011	0.5
107.07310	2.1
107.08575	0.9
107.62511	0.5
108.07589	1.2
121.10078	0.8
122.06039	2.6
122.09665	18.5
123.09988	8.7
124.10344	1.3
125.09675	0.6
127.58097	0.6
136.07582	1.6
151.11096	0.9
164.07033	1.3
166.12303	1.4
171.09183	0.6
175.08728	0.6
178.12250	0.9
185.07060	0.8
189.10260	1.2
196.13292	1.3
199.08647	1.9
200.09438	3.7
201.06572	2.5
201.10251	1.5
202.07362	9.6
211.08473	0.9
215.11830	3.8
217.09695	8.5
218.10083	0.8
226.97362	0.5
227.08191	3.9
228.08904	7.2
231.11249	0.6
233.09186	6.1
235.10783	2.0
241.09834	1.1
243.11292	6.9
244.11624	0.5
245.09178	0.8
259.10876	5.8
259.13611	0.7
259.14456	0.6
261.08691	81.4
262.08997	3.1
271.10672	3.7
285.12231	1.4
286.11942	1.6
287.10239	68.9
288.10562	3.6
295.31931	0.5
299.08936	0.6
303.74863	0.7
305.11942	0.6
306.16034	0.7
320.14038	1.4
322.11932	0.8
334.15100	0.8
336.13333	1.8
338.14890	2.5
348.17072	0.8
349.17758	1.8
350.14780	1.7
352.16483	0.9
355.07718	0.6
360.77115	0.6
362.14713	0.6
363.12024	0.8
364.12842	29.1
364.16568	2.0
364.20340	1.4
365.13177	2.3
366.14438	4.5
367.51575	0.6
378.14310	1.8
378.18518	3.6
379.14993	0.8
380.16193	0.8
380.19928	4.4
382.21387	0.8
392.15863	1.7
393.16586	1.1
394.21271	1.7
398.17087	27.4
399.17307	1.7
406.17432	1.1
407.18024	1.2
408.19171	49.5
409.19449	4.1
410.20850	0.7
412.22260	1.2
424.18640	19.0
425.18793	1.8
426.20221	5.8
438.20197	100.0
439.20535	8.8
456.21329	12.0
457.21301	0.8
471.19876	0.8
472.20184	0.7
545.27740	2.8
561.18506	5.6
563.28510	1.1
575.17828	2.9
575.28558	61.3
576.19006	0.8
576.28827	8.1
593.20728	9.3
593.29773	6.6
594.21320	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75849	0.7
51.93674	0.7
55.05499	2.0
57.03444	0.9
63.87650	0.7
67.05519	2.7
69.03429	1.9
69.07087	2.4
69.47628	2.4
71.05006	1.2
79.05510	3.0
80.05024	1.4
80.73804	0.8
81.03446	3.0
81.07072	2.3
83.05000	2.7
83.06109	0.8
83.08621	0.9
84.04516	0.9
85.02919	2.4
86.09699	0.8
89.92342	0.8
91.05511	2.7
93.07059	2.3
94.06588	1.8
95.04985	1.2
95.08629	1.9
97.02928	1.1
97.06554	3.3
97.10063	0.6
100.11269	1.4
105.07051	2.5
107.08606	1.6
109.02895	1.3
111.04435	0.8
115.17190	0.7
119.08601	1.3
121.10185	1.3
122.06046	1.8
122.09690	3.0
123.08082	1.2
124.07585	9.2
124.08368	1.0
127.03915	1.3
131.08679	0.9
136.07632	1.3
138.09163	0.7
147.04475	0.9
147.08025	1.0
149.13344	0.7
164.07095	1.0
164.10753	2.1
172.09920	0.7
178.12291	1.3
186.07916	1.0
193.12373	1.0
196.13393	1.1
197.10840	0.8
199.08812	0.7
200.09560	3.0
201.06709	0.9
202.07402	4.3
211.08682	1.5
212.09566	1.4
215.11916	1.8
217.05002	1.0
217.09660	5.6
225.10255	4.6
226.11017	5.3
227.08296	1.1
227.11656	1.1
228.09021	3.5
233.09355	2.1
235.10818	9.9
239.11745	1.3
241.13470	3.3
243.11237	4.2
244.08296	0.8
245.09207	3.0
259.10901	3.9
261.08826	32.2
261.12451	9.8
262.09183	1.1
262.12714	0.8
269.09326	1.8
270.09991	0.8
271.10754	9.0
273.04129	1.1
274.60910	0.8
283.91895	0.8
284.11563	6.9
285.09503	1.5
285.12320	32.5
286.12790	2.7
287.07077	1.8
287.10272	33.0
288.10699	1.9
299.05609	2.6
299.09073	4.7
301.03558	1.8
313.03406	5.7
327.08685	1.1
355.08231	7.5
363.17056	1.0
364.12845	17.8
364.20264	1.2
366.14645	3.0
378.14429	1.7
378.18719	1.0
379.15271	1.5
380.19830	1.9
382.21371	1.3
383.14807	1.1
391.16626	2.5
393.17612	1.5
398.16986	15.0
399.10464	4.1
402.18518	1.0
402.77911	0.8
406.17645	1.4
408.19183	42.7
409.19470	3.6
412.22559	1.2
413.12320	1.1
420.19550	1.1
422.20880	2.4
424.18674	12.2
425.19217	0.9
426.20212	1.3
431.13428	12.4
438.20248	65.0
439.20792	4.6
456.21527	3.4
545.27563	6.9
546.27698	1.1
561.19232	50.9
562.19904	5.9
575.18549	2.3
575.28650	45.8
576.28845	5.9
593.21960	100.0
593.29285	5.8
594.22333	12.3
594.46155	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73852	0.3
57.03416	0.4
64.05585	0.3
67.05473	0.9
68.40649	0.3
69.03407	0.4
69.07034	0.6
71.28662	0.3
79.05466	0.8
81.03386	0.9
81.07019	1.0
83.04939	0.5
85.02872	0.7
90.30647	0.3
91.05448	0.7
93.07010	0.6
94.06564	7.2
95.04946	0.3
95.08547	0.8
97.02863	0.4
97.06499	0.6
105.06976	0.8
107.08585	0.6
108.08115	0.3
108.84943	0.3
109.02858	0.3
116.10657	0.4
119.04911	0.4
119.08570	0.4
121.10167	0.2
122.06048	2.1
122.09639	1.3
123.04383	0.3
123.11593	0.3
124.07572	0.5
129.06950	0.3
133.10156	0.4
135.11696	0.3
135.63092	0.3
136.07520	1.1
137.10759	1.7
138.09154	0.5
138.16992	0.3
147.04382	0.5
148.07559	0.4
149.08302	0.4
150.09074	0.3
163.03961	0.4
164.07059	0.8
166.12212	0.4
171.09093	0.4
172.10013	0.4
173.07124	0.3
173.10725	0.6
177.11252	0.3
178.12224	1.1
185.07109	0.5
187.08611	0.7
189.10187	1.2
195.11388	0.3
196.13313	1.2
199.08688	2.3
200.09453	5.5
201.06622	2.5
201.10167	1.2
202.07362	7.5
202.11037	0.4
213.10277	0.8
214.07541	0.4
215.08344	0.6
215.11765	4.9
216.12057	0.4
217.09723	6.3
218.10139	0.4
227.08153	4.3
228.08922	10.1
229.09427	0.5
233.09225	5.3
234.09842	0.4
235.10828	1.6
241.09695	0.6
243.11293	9.7
244.11867	0.6
259.10797	8.1
259.13928	0.4
260.11179	0.5
261.08704	64.9
261.12076	2.0
262.09070	3.4
269.09125	0.3
271.10721	1.2
277.08160	0.5
285.12277	1.1
287.10260	100.0
288.10580	5.0
342.11563	0.4
349.17416	0.4
364.13019	1.2
380.19913	0.4
398.17099	33.9
399.17340	2.9
406.17310	0.5
408.19238	6.9
409.19345	0.6
424.18671	35.2
425.19019	3.0
426.20248	0.8
438.15250	0.4
438.20392	5.0
439.20499	0.4
545.27832	2.2
546.28296	0.4
561.18896	1.7
563.28711	2.4
575.17767	2.4
575.28687	4.6
593.19122	7.3
593.29669	5.6
594.19623	0.9
594.30450	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30659	0.5
57.03443	0.8
57.07075	3.1
64.19822	0.5
67.05505	1.6
69.07063	0.7
71.08617	2.7
81.07053	1.8
83.08624	1.1
85.10188	1.9
85.71170	0.5
89.06004	0.5
95.08598	0.6
97.10176	0.6
98.22558	1.1
98.80486	0.5
107.08636	0.7
109.10193	0.7
146.88307	0.5
153.81406	0.6
218.02870	0.5
281.13565	12.7
282.13855	0.8
298.70178	0.6
313.27393	1.3
337.16220	6.2
437.35098	0.6
450.88205	0.6
593.40228	100.0
594.40509	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	594.4
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	6.5
55.05519	10.9
57.03430	9.3
57.07087	3.8
60.08168	6.7
67.05500	18.5
67.99393	3.4
68.47828	3.0
69.03305	3.0
69.07069	9.9
69.33282	3.7
71.04992	3.6
79.05495	33.0
79.69644	3.3
81.03435	8.2
81.07045	20.6
83.04978	10.2
83.08607	6.3
86.09702	39.6
91.05484	30.8
93.07046	29.9
95.04948	4.9
95.08599	15.3
105.07036	30.9
107.04886	5.7
107.08601	11.6
109.06506	4.0
109.10168	7.6
117.07036	11.4
119.08585	25.9
121.10155	13.7
123.08109	4.5
125.00026	17.9
125.09666	3.4
129.07008	8.0
131.08580	15.0
133.10143	19.6
135.11707	10.4
138.65315	4.0
143.08595	5.3
145.10085	10.5
147.11725	12.2
157.10188	7.7
159.11711	8.4
161.13286	5.7
163.11195	14.4
167.10649	9.2
171.11679	5.9
173.09645	3.4
173.13301	5.7
175.14859	4.6
181.12328	6.5
184.07356	100.0
185.13324	4.0
209.11678	5.6
233.13112	3.6
233.15211	4.9
241.19550	7.6
259.20657	22.1
283.15442	26.2
297.16705	3.4
313.20554	3.5
323.07913	4.2
333.24265	15.0
541.35089	9.9
594.37256	8.2
595.24481	5.6
595.40295	10.9
612.56934	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	594.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11110	7.3
51.99295	8.0
53.03957	10.1
55.01873	8.6
55.05513	29.2
57.03445	9.7
67.05505	58.6
69.07071	25.1
70.06596	14.2
71.08636	19.2
71.29678	8.4
79.05496	61.6
81.03436	17.2
81.07045	51.8
83.01299	7.2
83.04995	13.0
83.08598	18.9
91.05473	58.0
93.07049	78.0
95.04975	15.0
95.08589	41.0
97.06533	10.8
99.08127	21.9
105.07025	34.8
107.04982	11.9
107.08587	40.5
109.06498	12.1
109.10124	16.3
111.08112	8.1
117.07001	12.4
119.08582	27.4
121.10147	31.9
123.08095	9.4
129.07036	9.4
131.08562	10.6
133.10143	18.0
135.11694	32.2
141.16057	8.8
143.08525	12.3
144.31267	7.0
145.10101	19.6
157.10059	8.9
161.13309	9.9
163.11198	25.0
179.14311	71.6
184.07382	11.7
271.17050	8.4
277.21658	51.2
283.15427	42.9
351.25400	24.2
387.49518	7.3
437.98584	7.0
440.92795	8.3
559.36334	100.0
560.36407	11.8
563.67841	7.6
594.47284	10.7
594.57965	11.3
595.39886	10.5
595.49609	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	595.1446
Annotation	Kaempferol-3-Glucoside-6''-p-coumaroyl
Peak:m/z	Relative Intensity
53.03942	0.4
57.03429	0.3
59.19196	0.1
65.03928	1.3
69.03419	1.1
69.07085	0.2
70.87817	0.2
71.04984	0.5
73.02927	0.2
80.61123	0.2
80.61650	0.1
81.03416	3.3
85.02918	1.0
91.05485	11.0
92.05843	0.2
94.62127	0.2
95.04954	0.2
97.02906	0.5
107.05004	0.2
109.02878	1.3
111.00820	0.2
111.04459	0.2
119.04946	25.0
120.05289	0.6
121.02862	0.9
127.03943	0.5
133.02850	0.3
137.02348	0.2
147.04410	100.0
148.04764	3.2
153.01839	1.1
165.01828	0.4
165.05498	2.5
213.05498	0.4
241.05110	0.4
258.05136	0.2
287.05493	22.4
288.05789	1.3
291.08618	5.3
292.09106	0.2
309.09698	1.7
554.57886	0.2
594.36499	0.3
595.17249	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1443
Annotation	Kaempferol-3-Glucoside-6''-p-coumaroyl
Peak:m/z	Relative Intensity
51.91385	0.2
53.03941	0.3
55.05511	0.3
65.03928	2.3
67.05512	0.4
68.99794	0.4
69.03430	1.5
70.36909	0.5
71.04976	0.2
79.05486	0.3
81.03412	1.7
81.07034	0.3
85.02902	1.0
91.05480	15.8
92.05814	0.4
93.07013	0.2
97.02889	0.5
97.06554	0.4
105.03405	0.2
105.07011	0.3
105.16872	0.2
107.08637	0.2
109.02873	0.7
111.00813	0.3
111.04465	0.2
117.07065	0.2
119.04942	32.0
120.05244	0.8
121.02891	1.7
122.09695	0.3
125.25900	0.2
127.03895	0.7
131.08675	0.2
133.02867	0.4
137.02330	0.4
147.04405	100.0
147.71867	0.2
148.04753	3.1
153.01807	2.4
157.06410	0.4
165.01845	1.1
165.05457	0.6
183.02872	0.4
183.20255	0.2
185.05960	0.3
213.05479	0.9
213.45006	0.2
231.06462	0.4
241.04930	0.5
258.05197	0.6
259.05966	0.2
261.08716	1.3
262.09103	1.0
287.05484	52.6
288.05814	2.8
288.10571	0.7
291.08597	1.8
309.09555	0.6
329.06546	0.4
364.12894	0.3
365.13376	0.4
366.13254	0.3
376.23785	0.2
399.17090	0.5
408.18988	0.5
409.19330	0.5
410.19550	0.2
426.19672	0.4
438.20337	0.7
439.20596	1.0
440.20825	1.3
563.20526	0.5
576.28668	0.4
577.19476	0.4
577.29089	1.4
594.45294	0.2
595.18524	0.8
595.30389	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	32.9
71.28453	0.8
71.28809	1.0
71.95274	1.9
84.96045	5.7
85.02932	1.0
97.02927	1.2
98.97586	100.0
99.97837	0.8
101.19891	0.8
110.97574	16.1
112.99167	1.9
116.63548	0.8
116.98624	40.5
119.01953	1.3
124.99140	2.5
127.00687	0.9
128.98608	14.2
129.02257	0.9
131.00194	2.1
134.99660	8.5
136.99110	5.3
139.00578	1.2
140.00275	1.1
140.98615	1.7
143.00128	5.7
144.98135	1.6
146.99707	4.7
147.03331	1.3
149.01239	1.4
151.00742	0.9
152.98636	2.6
153.02299	1.8
155.00160	26.6
156.00542	0.9
157.01729	2.8
158.99654	18.0
159.03235	4.6
161.01242	4.1
169.01686	1.2
170.99600	3.8
171.03351	3.4
173.01228	31.5
173.02739	1.6
174.99162	0.8
175.02864	2.6
177.00731	16.4
177.04349	2.5
179.00174	1.7
179.02345	1.1
185.01320	2.0
187.02795	2.0
189.00705	4.1
189.04391	2.7
191.02257	8.0
195.01834	1.0
197.01221	38.7
198.01599	1.2
199.02855	1.9
201.00723	4.4
201.04414	2.5
209.01247	1.0
211.02896	1.7
213.04324	1.3
215.02275	61.9
216.02658	1.9
217.03925	1.2
219.01781	20.9
227.02284	4.7
229.03795	2.1
231.05530	1.0
233.03371	11.5
237.02814	25.2
238.03583	1.3
239.02260	1.4
243.05447	1.0
245.03386	3.0
254.03502	2.2
255.03896	1.7
257.03333	10.8
259.07379	1.0
272.04462	1.3
273.06137	0.9
275.04364	4.5
287.04614	1.0
291.07541	3.5
299.64212	1.1
301.06021	1.3
303.07498	11.3
317.05423	86.6
318.05695	3.5
319.07208	2.8
321.08615	11.5
322.08505	0.8
331.07288	1.6
335.06491	80.5
336.06793	4.5
337.07791	0.9
349.08395	0.9
353.07578	14.6
358.08041	3.1
371.09167	1.9
377.07574	35.9
378.07620	1.8
395.08652	15.6
415.09149	4.1
416.08701	1.2
417.10544	3.0
437.09610	5.5
462.60007	2.1
463.09753	1.8
497.11896	1.0
595.15906	23.2
596.16339	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	595.165
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	1.7
57.24529	0.5
76.68970	0.6
82.99879	0.6
83.04984	2.3
94.93021	0.7
98.97588	6.5
101.00879	1.7
110.97592	1.4
112.89620	1.9
113.00858	0.7
116.98611	2.0
119.01936	2.5
120.96638	0.9
128.98590	1.0
129.03979	0.9
131.01906	2.5
133.03485	0.6
141.03952	1.1
143.00159	0.9
143.01930	1.6
145.03426	1.1
146.99612	0.6
147.05063	1.2
148.96106	0.8
155.00145	0.7
155.01877	1.2
156.02667	0.7
157.01617	0.6
157.03503	0.7
158.99667	1.3
159.03308	1.0
159.05054	2.3
160.96100	1.0
161.02931	1.5
169.03476	0.8
171.05046	2.2
173.02980	2.5
177.00768	1.5
183.05070	1.8
184.97336	0.7
185.02841	1.3
185.04286	1.8
187.04570	0.7
189.00731	0.9
190.97194	2.1
195.05093	1.2
197.03014	1.2
199.04472	0.7
201.04462	0.8
201.06039	3.0
203.03670	0.9
203.05490	5.2
207.05144	0.9
208.96751	0.5
213.06085	4.0
215.04095	1.5
219.01788	2.5
219.05220	0.6
221.05080	8.1
225.06065	1.1
226.98079	1.6
237.02866	2.2
237.06134	1.9
250.98061	0.8
252.97237	22.2
253.00842	2.6
259.06924	1.2
268.99207	0.9
270.97153	0.9
285.08298	0.9
288.98264	1.0
301.08377	1.1
303.09308	23.2
304.09482	1.3
305.07297	0.8
309.57520	0.7
311.00323	0.8
312.98080	14.2
313.01587	1.2
313.98138	1.2
315.04703	0.7
317.07239	3.8
319.07510	3.1
321.08542	1.1
324.98047	5.5
331.03952	1.2
335.06516	1.3
342.99118	1.0
365.10544	15.8
366.10925	0.9
373.00220	1.3
381.07962	2.5
403.05869	1.8
415.01199	1.5
415.10477	4.4
417.10626	1.2
563.19177	2.2
577.17084	0.8
595.16229	100.0
596.16632	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	595.1654
Annotation	6,8-Di-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
57.03437	3.4
61.02927	2.2
65.03957	1.3
69.49753	5.8
69.50110	2.2
70.57732	1.1
71.05000	1.2
81.03423	3.7
85.02901	6.9
91.05502	1.4
93.03424	1.6
94.39118	1.0
97.02887	1.7
103.03944	2.3
107.04975	2.3
109.02881	3.2
111.04411	1.7
119.04928	10.0
121.02857	37.7
128.18849	1.2
139.03873	1.4
143.04982	1.3
145.02863	3.2
147.04375	1.6
151.03912	1.5
159.04478	1.8
161.02344	2.7
163.03888	2.7
173.02376	1.5
175.04012	2.0
177.01854	4.4
179.03424	3.8
181.06427	1.3
187.03862	3.0
189.01788	11.8
189.05627	2.0
190.02602	3.5
191.03395	6.6
193.05112	1.4
194.02238	1.4
195.02870	6.4
199.03917	2.0
201.01851	2.3
201.05460	1.5
203.03384	11.6
204.04082	1.6
205.04944	2.7
207.02879	9.4
213.05609	1.5
215.03453	1.9
217.04912	6.9
219.02910	6.2
221.04391	2.0
227.03484	1.7
229.04988	4.9
231.02823	1.6
233.04417	2.7
239.07127	2.0
241.05006	1.6
243.02838	1.8
243.06390	1.4
245.04459	1.5
247.06131	1.7
255.02948	3.5
257.04529	1.7
267.06494	3.7
268.07382	3.4
273.03851	2.6
279.06500	7.0
280.07446	2.5
281.07941	5.8
283.06067	8.2
284.06689	2.9
285.03912	3.9
287.05469	3.1
291.06424	2.1
293.08051	4.0
294.05209	20.4
294.08566	1.9
295.05988	91.3
296.06653	9.8
297.07590	11.5
298.08075	1.5
305.08130	2.1
307.05988	52.9
308.06689	19.4
309.04089	1.5
309.07480	16.6
313.07114	5.8
318.08813	1.7
319.05930	7.2
320.06583	5.7
321.07541	30.0
322.04590	2.7
322.08176	15.0
323.05441	3.6
323.09027	6.0
325.07034	100.0
326.07462	6.1
329.07974	1.5
331.05984	1.4
333.07590	10.3
334.08243	2.6
335.05478	2.9
335.09128	16.7
336.06229	2.8
336.09659	2.8
337.07053	68.0
337.10175	2.6
338.07510	3.1
339.08615	3.4
345.07559	3.7
346.08224	1.4
347.09113	12.9
349.07025	31.7
349.11127	2.3
350.07571	4.1
351.04706	2.3
351.08633	25.3
355.08142	18.7
356.08331	1.6
357.07352	2.2
359.09097	2.2
361.07001	17.9
361.10812	1.9
362.07574	2.4
363.08572	7.2
365.10260	10.6
367.07928	7.1
373.07028	6.7
375.08612	13.8
378.07593	1.3
379.08084	54.8
380.08456	5.0
385.07065	4.3
387.08411	2.4
389.10275	3.3
391.08057	28.2
392.08157	2.0
393.09396	3.3
401.10107	2.8
403.08093	25.1
409.09143	41.1
410.09406	3.9
413.10474	1.9
415.08139	2.4
417.09598	3.5
421.09113	23.0
427.10306	39.1
428.10962	2.9
433.08936	3.0
439.10245	26.4
440.10443	2.1
445.09842	6.1
449.12213	1.4
457.11282	73.9
458.11771	6.4
463.10306	6.8
475.12292	13.2
476.12549	1.6
481.11301	25.4
487.10147	3.0
493.11371	4.4
499.12387	14.4
505.11398	6.6
511.12268	18.6
512.12708	2.3
523.12341	19.2
524.12555	2.9
529.13281	6.3
541.13318	22.4
542.14093	1.7
559.14252	15.9
577.15259	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	595.1656
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03948	0.4
55.01871	0.3
57.03436	2.1
60.68037	0.2
61.02923	1.0
68.99799	0.7
69.03433	1.9
70.06571	0.3
70.24239	0.3
71.04993	10.9
71.29790	0.4
74.38721	0.3
75.04464	0.3
79.05488	0.4
81.03407	1.0
83.04975	0.7
85.02905	15.7
87.04474	0.6
91.05464	0.4
97.02900	1.7
107.04926	0.3
109.02877	0.9
111.00817	0.7
111.04481	0.5
119.04945	0.8
121.02882	4.2
127.03919	0.9
129.05470	3.5
133.02820	0.3
136.07614	0.4
137.02335	0.4
138.50328	0.3
142.08620	0.3
145.04948	0.7
147.04433	1.3
147.06508	1.2
153.01831	2.2
157.06497	0.4
163.03886	0.3
165.01848	1.5
175.04106	0.4
180.06505	0.4
183.02934	0.8
185.06046	0.5
189.01787	0.8
189.05493	0.4
195.02904	0.4
203.03445	0.7
207.08174	0.3
213.05458	1.4
229.05083	0.5
231.06480	0.5
237.12334	0.4
240.10199	0.3
241.04964	0.7
243.06715	0.3
258.05298	0.8
258.52994	0.3
259.06058	0.4
259.54095	0.3
269.04678	0.5
271.05994	1.0
279.06491	0.4
281.08191	0.3
283.05893	0.6
284.06848	0.3
285.03745	0.3
287.05484	100.0
288.05814	5.5
293.07990	0.5
294.05197	1.3
295.06021	5.7
295.09277	0.7
296.06577	0.5
297.07416	0.5
299.05353	0.4
307.06003	2.9
308.06732	1.2
309.07568	1.2
310.07977	0.3
313.07153	0.5
319.06036	0.5
321.07660	1.7
322.08255	0.8
325.07031	5.7
329.06570	0.4
333.07642	0.7
335.09061	1.0
337.07016	3.2
347.09131	0.7
349.07016	2.3
351.08600	1.0
355.08130	1.0
361.06964	1.1
365.10193	0.9
375.08676	0.8
379.08163	3.7
391.08020	1.8
403.08026	1.2
409.09122	2.9
421.09106	1.5
427.10327	3.2
431.09140	0.4
433.10306	0.4
439.10153	1.6
449.10492	0.7
457.11362	4.5
458.11359	0.5
475.12537	0.8
481.11032	1.7
493.11041	0.3
499.12238	0.9
505.11099	0.8
511.12064	1.3
523.12140	1.4
529.13330	0.8
541.02087	0.3
541.12769	1.7
559.14319	1.3
577.15277	0.4
595.19025	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1654
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03939	0.2
55.01867	0.2
55.05507	0.3
57.03438	2.2
59.04990	0.1
61.02929	0.6
68.99776	0.4
69.03426	1.2
70.61998	0.2
71.01331	0.1
71.04990	11.9
72.05323	0.1
73.02912	0.6
75.04485	0.5
81.03419	0.5
83.04976	0.6
85.02902	15.1
86.03241	0.2
87.04470	0.4
91.03931	0.1
97.02888	1.2
97.87814	0.1
99.04444	0.3
103.03918	0.1
105.03382	0.3
107.04943	0.3
109.02884	0.5
111.00821	0.4
111.04426	0.3
121.01983	0.1
121.02859	2.5
127.03912	0.8
129.05476	3.4
129.06929	0.1
129.53648	0.1
130.05792	0.1
133.02815	0.4
135.04427	0.1
137.02330	0.6
141.06961	0.1
145.04945	0.7
145.06511	0.2
147.04449	0.4
147.06519	0.9
153.01825	3.3
157.06461	0.4
165.01837	1.5
169.06357	0.1
171.04411	0.2
183.02878	0.8
185.05966	0.4
203.07094	0.2
213.05447	1.1
214.05931	0.1
231.06424	0.6
241.04958	0.6
258.05234	1.0
259.06033	0.4
287.05472	100.0
288.05811	6.0
299.05551	0.1
324.20517	0.1
329.06427	0.3
422.09299	0.1
449.10760	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.8
56.96588	0.5
58.99873	0.9
77.00920	1.0
81.03425	1.0
82.99847	1.2
83.04989	10.2
97.02890	1.2
98.97597	1.7
101.00886	7.6
105.00410	0.6
105.73792	0.7
110.97581	1.0
113.00880	3.7
115.02440	2.4
119.01927	9.8
121.01681	0.9
123.02982	0.7
125.00858	0.6
125.62149	0.6
127.02422	1.7
129.03998	5.8
131.01913	8.8
133.03481	4.6
135.34735	0.6
137.00819	1.2
137.02968	0.6
137.89357	0.5
138.01704	0.6
139.02434	1.1
141.03984	6.1
143.01906	5.9
143.05568	0.8
145.01674	1.1
145.03462	6.9
146.25974	0.6
147.03117	0.6
147.04991	3.3
149.02991	0.7
150.13718	0.6
153.03888	2.9
155.01895	10.9
155.03790	0.7
155.05615	0.8
156.02628	1.8
157.01715	1.3
157.03532	4.5
159.05025	11.6
161.02983	5.2
161.06642	0.6
163.02763	1.0
165.04080	0.9
167.01926	1.1
167.05545	0.6
169.03490	2.2
171.05031	7.7
173.02979	9.4
173.04762	1.7
173.06602	0.6
175.02815	1.9
175.04552	2.1
177.06140	0.9
181.03517	1.1
183.05061	12.6
184.05194	0.8
185.02924	2.9
185.06607	2.5
187.02975	0.9
187.04494	4.1
189.06079	1.3
193.03552	1.0
195.05037	5.6
197.02979	6.9
197.06631	3.1
198.03003	0.8
199.02747	2.0
199.04620	2.0
201.04396	0.9
201.06091	16.1
203.04022	14.2
204.04178	1.0
205.03636	0.9
207.05078	4.1
209.06812	0.7
211.04608	2.3
213.06100	18.5
214.06273	1.0
215.04024	7.6
215.07509	3.7
217.03722	2.7
219.01819	1.2
219.04893	0.7
221.05075	34.4
222.05318	2.2
223.02843	0.7
223.04858	2.6
225.06078	3.6
227.04134	0.8
227.07620	1.7
228.73573	0.7
229.05565	1.6
237.02815	1.4
237.06114	8.6
239.06216	0.8
241.05705	1.5
243.07300	3.7
245.05127	1.0
253.05685	0.6
255.07191	1.5
257.05161	0.9
259.06738	7.0
261.06296	0.9
267.07037	0.7
269.04922	1.0
271.06702	2.1
273.08264	4.9
277.07678	1.7
285.08188	6.0
287.06161	5.9
289.05759	1.6
301.07935	0.8
303.09271	100.0
304.09464	6.5
305.07172	2.5
306.07568	0.7
307.06891	0.8
317.07208	25.1
318.07388	3.1
319.06912	10.1
321.10382	1.3
333.06723	3.0
335.06229	0.9
337.08167	1.6
371.08136	4.6
375.07806	6.9
376.08203	0.8
377.07654	1.6
379.08942	0.8
415.10892	21.8
416.10956	2.2
435.10010	1.3
495.11734	0.8
551.14532	3.0
595.17108	13.1
596.17047	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	0.7
69.03432	1.1
69.12203	3.3
69.12605	1.9
70.06569	1.4
72.39299	0.6
72.87080	0.6
81.03412	1.0
85.02908	1.6
92.52117	0.7
97.02911	0.8
98.34083	0.6
119.04943	0.7
121.02874	2.1
124.07610	1.0
144.72270	0.7
179.93651	0.7
195.03119	0.7
224.30003	0.6
257.06384	1.3
262.65594	0.7
285.09549	4.3
287.05569	1.6
295.05960	3.5
301.08902	7.5
307.06055	1.6
308.06619	1.1
309.07541	1.0
321.07587	1.3
325.07059	4.2
333.11389	1.6
335.09161	1.0
337.07123	2.1
349.07178	1.3
375.08331	0.7
379.08212	2.7
381.08450	0.7
391.08261	1.1
401.14240	3.0
403.08179	1.2
409.09064	1.3
421.09125	0.9
427.10193	1.3
439.10291	1.3
457.11414	2.8
465.15851	1.0
481.11111	1.1
499.13101	0.9
511.12125	1.0
523.12152	0.9
541.13910	1.1
546.71100	0.7
563.19458	78.4
564.20026	5.3
595.22058	100.0
596.22327	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	595.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10747	0.5
59.51179	0.6
62.20570	0.6
69.03432	0.7
70.06576	0.6
70.63643	0.6
70.69193	1.4
78.88072	0.6
85.02901	1.0
125.09829	0.7
144.71266	0.6
203.05338	0.8
243.08411	0.8
257.06372	1.5
285.09528	3.0
295.06125	1.9
301.08911	10.7
302.08752	0.8
307.06128	1.3
307.64560	0.7
317.11926	1.0
325.06866	1.4
327.13980	0.7
333.11639	2.8
337.07159	1.0
375.08636	0.8
401.14139	2.3
433.16458	0.9
447.14545	1.0
457.11502	2.0
465.15869	1.2
523.12640	0.8
563.19427	82.8
564.19653	6.7
595.22064	100.0
596.22571	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	596.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.2
55.01875	3.2
55.05516	15.4
57.03437	4.8
57.07067	6.2
61.10975	2.1
63.56689	2.0
65.03918	4.4
66.62440	2.2
67.05506	77.9
69.03418	2.5
69.07063	16.2
70.44775	5.3
71.04987	5.2
73.02898	3.0
79.05495	54.7
81.03420	7.0
81.07059	84.3
81.09669	2.3
83.04993	5.6
83.08621	12.2
85.02908	2.6
85.06559	4.3
91.05476	32.2
93.06472	4.6
93.07044	67.5
95.04972	6.1
95.08606	72.0
97.02888	3.0
97.06536	3.5
97.10172	4.9
99.04484	4.5
99.08098	4.0
105.07037	32.7
107.08593	47.0
109.02880	7.7
109.06527	2.6
109.10159	28.7
110.03677	4.8
111.04412	2.5
111.08088	4.8
115.05453	2.5
117.07030	12.8
119.08582	23.9
120.08911	2.3
121.10137	43.1
122.10421	2.7
123.08055	4.0
123.11684	16.8
125.09727	3.1
127.03918	8.2
129.06967	3.1
130.07733	2.7
131.08563	26.0
133.10123	19.5
135.11694	37.1
137.09645	4.3
137.13263	9.5
143.08589	5.7
145.10138	22.1
147.11690	15.2
149.09622	3.1
149.13277	20.2
151.11079	2.7
151.14801	4.3
155.08578	5.5
157.10106	5.0
159.11699	15.9
161.13292	13.4
163.11134	3.5
163.14839	16.3
165.09129	3.5
165.12750	3.0
167.10826	4.7
169.10060	4.4
171.11732	4.7
173.13283	21.7
174.28537	2.5
175.11240	3.7
175.14825	6.2
177.16386	6.5
181.09987	2.5
183.11772	2.8
187.14824	10.4
201.16321	5.3
205.15906	2.7
219.17493	3.2
233.15448	3.2
233.22746	4.1
243.21091	33.5
261.22156	100.0
262.22491	4.8
275.86877	2.5
279.23123	3.1
335.25809	16.5
353.26868	32.4
561.27191	7.6
597.39563	10.6
616.66180	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	596.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.2
55.01884	4.8
55.05512	17.7
57.03423	6.6
57.07083	5.9
65.03942	9.3
67.05505	77.4
69.03432	6.8
69.06634	14.4
69.07065	29.6
71.04984	4.4
79.05494	53.6
81.03428	7.5
81.07055	100.0
83.08624	11.4
84.05489	3.3
85.02910	5.1
85.06568	6.6
91.05483	39.7
93.07040	67.7
95.04950	8.2
95.08606	74.7
97.02870	3.3
97.06557	5.3
97.10166	5.3
99.04436	3.3
99.08097	3.4
104.08180	3.1
105.07040	34.1
107.08598	52.4
109.02888	7.6
109.06541	6.2
109.10162	39.0
109.11930	2.6
111.04445	3.8
111.11694	3.2
114.73903	2.9
117.07032	15.3
119.08575	27.2
121.10135	43.6
123.08080	7.1
123.11701	16.9
127.03915	4.2
129.07034	6.8
131.08572	27.0
133.10132	25.6
135.08057	4.7
135.11658	32.7
137.09633	6.2
137.13264	7.5
143.08591	8.6
145.10098	25.2
147.11661	18.3
148.95183	3.1
149.02354	47.8
149.03450	6.7
149.13261	25.9
150.02660	21.9
151.02869	8.6
155.08580	4.7
157.10098	4.0
159.08076	4.1
159.11694	16.9
161.13281	13.2
163.14813	17.1
165.09239	3.2
165.12796	5.5
167.10803	6.1
169.10164	5.1
171.11688	5.6
173.13260	25.3
175.14897	9.1
177.16447	6.1
181.10193	3.7
182.11018	3.1
185.13266	7.2
187.14856	12.7
191.00156	4.4
193.05037	25.6
194.05318	16.4
195.05531	8.8
197.13252	4.0
201.16382	5.7
233.15247	5.5
243.21103	34.9
261.22156	98.2
262.22455	6.5
279.23117	6.4
288.05814	4.5
309.22293	3.6
335.25949	19.9
353.26840	33.1
561.27020	7.4
579.13971	47.5
579.38501	6.3
580.13477	3.9
597.39307	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	13.3
55.01867	24.7
55.05507	45.2
57.03426	20.2
57.07077	15.7
60.45589	8.9
67.05506	91.9
69.07076	51.2
69.14433	74.9
77.21555	9.1
79.05496	87.0
81.07063	98.7
83.04977	12.6
83.08617	29.1
85.06512	13.5
91.05489	81.2
93.07047	100.0
94.07372	12.0
95.04956	39.4
95.08616	81.2
97.06538	35.6
97.10185	12.3
98.22599	19.0
99.85075	9.1
105.07046	98.8
106.07371	9.5
107.05020	16.3
107.08590	58.8
109.06510	15.0
109.10168	43.5
110.10524	9.2
111.08099	14.6
112.95989	10.1
117.07021	23.7
119.08594	59.5
121.10138	42.3
121.66109	9.7
123.08038	17.4
123.11677	8.8
129.07010	24.7
130.07727	10.6
131.08563	43.2
133.10159	62.1
135.08099	12.4
135.11710	38.2
136.30684	9.8
138.60356	9.6
141.07050	9.4
143.08528	19.2
145.10117	67.2
147.11713	21.4
149.09624	15.7
149.13258	21.1
155.08629	11.3
157.10136	37.0
159.11713	30.7
163.11205	24.0
165.09166	10.9
167.10710	17.1
169.10124	18.2
171.11664	16.0
173.13203	15.2
175.14803	12.7
185.13292	19.6
185.28973	8.8
187.14911	15.9
192.17903	9.6
197.13280	21.2
199.14874	13.6
207.11858	13.0
221.15456	12.3
227.12769	15.2
233.13287	10.5
233.15477	11.9
261.22141	18.2
283.15402	40.3
335.25742	34.3
388.01431	11.1
543.36871	50.9
561.37860	13.3
596.40594	12.6
597.40704	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16043	2.6
53.03952	3.2
53.58926	2.5
55.01881	3.6
55.05515	19.3
57.03428	4.5
57.07067	6.8
59.04990	3.1
65.03960	4.6
67.05500	29.8
69.03417	8.2
69.07064	19.2
70.15601	2.5
71.08603	4.1
79.05496	30.8
81.07054	37.4
83.04971	9.5
83.08613	9.3
85.06535	8.6
86.57516	2.6
91.05473	45.2
93.07040	45.2
95.04945	14.3
95.08605	31.4
97.06536	8.9
97.10178	3.1
98.10915	2.9
100.53518	3.6
101.15576	2.5
105.07028	49.1
107.08595	35.1
109.06526	9.5
109.10152	17.2
110.00278	3.3
111.08070	8.7
117.07008	17.3
119.08582	46.5
121.06522	8.6
121.10133	40.2
123.08053	8.4
123.11697	7.8
123.20506	2.9
125.05974	5.9
125.09595	4.7
128.06210	8.8
129.07019	14.3
130.07761	3.3
131.08571	26.4
133.06529	3.5
133.10143	23.3
135.04819	2.7
135.08047	12.9
135.11717	13.5
137.09598	8.0
141.07025	7.5
142.07787	10.3
143.08583	20.3
145.06483	6.1
145.10120	26.0
147.08043	11.5
147.11670	10.5
149.09593	10.0
151.07561	5.9
151.11154	3.4
154.07791	3.5
155.08565	15.2
156.09332	12.5
157.10141	28.9
159.08073	6.5
159.11699	18.0
161.09616	8.7
161.13188	5.0
163.11217	6.5
165.07008	5.9
165.09096	6.4
166.07823	3.4
167.08554	6.7
167.10698	9.1
169.10095	11.0
170.10825	5.1
171.11684	20.4
173.09625	10.4
173.13255	12.3
175.11295	3.5
175.14795	5.3
179.08601	7.7
180.09323	6.5
181.10135	12.5
182.10878	4.2
183.11710	12.1
184.12491	3.2
185.09741	4.0
185.13226	11.6
187.11150	3.7
187.14816	4.2
189.12714	3.7
191.08429	4.5
192.09369	4.0
193.10110	8.6
194.10962	5.9
194.46918	3.1
195.11700	17.6
196.12396	8.4
197.09647	6.2
197.13234	10.6
199.11197	6.3
199.14780	5.8
203.14255	5.1
206.10970	5.0
207.11700	10.3
207.13651	3.2
208.12430	8.2
209.09589	3.5
209.13251	13.5
211.11281	6.1
211.14818	9.9
214.13568	3.7
217.10124	3.5
218.10873	3.1
219.11739	6.7
220.12500	3.3
221.13258	15.9
221.15401	10.4
223.11211	6.9
223.14859	7.9
225.12642	4.0
225.16463	3.5
229.15935	4.3
231.11661	5.9
231.17506	2.9
232.12495	6.6
233.13214	5.8
233.15320	6.3
235.14919	8.8
237.12633	3.1
237.16283	4.5
239.18098	3.5
245.13289	4.0
246.13889	4.7
247.14728	5.6
247.16920	9.3
249.16479	4.2
255.06415	3.2
259.14847	4.1
260.15714	4.8
262.13446	3.5
262.17041	3.4
263.16382	5.4
265.15814	8.7
269.13251	3.9
269.19073	3.7
273.16208	3.8
277.15863	4.0
279.17538	6.7
280.18176	9.1
281.18961	4.9
283.14902	4.0
287.74408	3.1
291.19528	8.9
345.22015	4.4
363.23148	46.6
364.23315	3.5
389.24634	8.5
443.29370	3.2
561.36945	6.7
565.40302	7.7
579.38245	28.2
580.38556	6.4
591.34186	3.3
597.39447	100.0
598.39679	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87010	5.5
53.03930	10.4
54.13662	5.3
55.05509	38.8
57.03440	11.0
57.07080	28.0
59.72595	6.2
65.03931	10.0
67.05508	72.8
69.03420	8.5
69.07073	38.5
71.08634	16.0
74.42653	5.6
79.05502	67.6
81.07063	65.9
82.07362	9.9
83.04972	19.6
83.08606	19.0
85.06541	14.3
89.04353	5.4
89.06047	7.0
91.05473	86.3
93.07038	79.4
95.04976	34.5
95.08605	64.3
97.06531	24.2
98.23423	13.0
103.05412	7.1
105.04471	6.6
105.07020	99.5
106.07415	7.6
107.04896	6.4
107.08595	73.8
107.42403	6.5
109.06514	18.7
109.10155	70.3
111.04428	6.9
113.86098	6.0
115.05444	12.9
117.07021	32.0
119.08578	94.5
121.06514	18.8
121.10139	67.9
123.08062	19.7
123.11698	16.8
125.05997	20.4
125.09621	8.0
128.06200	14.9
129.07008	27.1
131.08568	48.4
133.06465	7.2
133.10106	55.5
135.08038	18.8
135.11693	35.3
137.09598	7.5
137.13257	6.9
141.06982	8.8
142.07761	20.4
143.08569	33.3
144.09244	7.3
145.10124	61.3
147.08102	11.9
147.11717	23.5
149.09573	14.5
149.13252	8.3
151.07564	9.7
153.06888	7.0
155.08557	22.5
156.09352	16.1
157.10130	43.7
158.10803	9.7
159.08098	11.2
159.11665	30.8
160.38148	7.1
161.09705	9.6
161.13289	19.2
163.11154	32.1
165.06996	11.5
165.09177	7.7
167.08513	13.8
167.10669	14.0
168.09357	7.7
169.10080	30.4
171.07968	7.8
171.11684	30.1
173.09633	8.5
173.13274	19.8
175.11234	7.2
175.14804	47.3
179.08427	9.5
181.10112	26.0
181.12323	28.4
182.10878	8.2
183.11652	18.5
187.11296	6.9
187.14783	16.2
189.12766	8.8
193.10210	13.9
195.11641	20.2
197.13231	20.6
199.11255	8.1
201.12755	6.8
201.16423	8.2
203.14336	10.1
206.10826	11.8
207.11755	14.6
209.13260	22.5
209.79330	7.4
211.14888	7.4
213.16306	10.4
215.10617	6.4
221.13235	20.4
221.15411	17.2
225.12871	10.0
231.11696	8.6
233.13200	8.9
233.15367	9.4
235.14980	10.5
239.14151	7.5
249.12764	8.5
263.18079	6.4
271.14743	7.8
273.18686	9.6
277.19534	6.5
279.21283	7.3
289.79105	6.7
299.20114	8.6
305.17505	30.0
313.27393	9.5
331.18967	48.6
338.28036	9.9
339.28665	6.5
371.22971	6.9
505.32690	12.4
518.33929	17.1
563.39227	9.2
597.26190	6.2
597.28656	7.9
597.39252	100.0
598.39722	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	598.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.5
55.01849	2.8
55.05514	10.4
56.05856	1.5
57.03441	5.1
57.07079	36.0
59.05015	2.6
61.64570	1.7
61.71808	1.5
64.41145	1.4
65.03938	2.3
66.02699	1.6
67.05501	13.8
69.07067	11.7
71.05000	2.0
71.08630	35.2
71.28543	1.7
73.06551	8.7
79.05492	8.9
81.03427	4.3
81.07050	17.8
83.04990	4.3
83.08614	12.1
85.06547	5.2
85.10188	21.1
87.04488	4.2
89.06030	100.0
89.83829	1.5
91.05483	17.6
93.07034	16.1
95.04987	5.5
95.08614	15.5
97.06527	2.1
97.10155	10.0
98.23289	1.9
101.06036	2.0
103.05451	2.4
105.07037	18.7
107.04933	2.5
107.07092	2.0
107.08592	13.4
109.06524	4.8
109.10146	8.5
111.04489	2.0
111.08065	5.8
111.11726	4.0
115.05444	1.7
117.07018	5.7
117.09158	4.1
119.04889	2.2
119.08591	16.3
121.06555	2.8
121.10137	9.0
123.08056	7.9
123.11710	2.6
125.05955	2.4
125.09685	2.0
129.06996	6.1
131.08521	10.9
132.06401	1.7
133.08601	44.7
133.10075	9.2
135.08072	3.2
135.11714	5.5
137.09618	2.3
142.07803	3.8
143.08577	6.3
145.06462	2.0
145.10120	12.7
147.08110	4.8
147.11679	3.6
149.09692	3.3
155.08595	2.0
156.09364	4.0
157.08923	2.2
157.10133	7.3
157.27698	1.9
159.08025	2.7
159.11711	4.6
161.09563	2.7
163.11203	3.0
169.10161	5.8
171.11720	4.6
173.09624	3.1
173.13260	4.7
175.11215	2.3
175.14780	2.3
177.11244	17.4
179.08601	2.4
180.09288	2.3
181.10158	1.8
181.12247	2.8
183.11830	2.0
183.13968	2.4
187.11211	4.0
187.14815	2.8
197.13377	2.6
201.16422	2.1
207.11809	2.9
209.13268	3.2
211.11223	2.1
215.10638	1.9
221.13583	3.6
221.15489	2.6
223.14725	1.9
225.16469	2.2
255.26680	1.8
286.16830	1.8
299.14920	1.7
299.29468	4.0
313.27328	13.5
339.28885	3.7
371.22626	3.4
429.31021	1.7
519.34760	1.8
563.39362	3.6
581.46234	4.3
598.40002	4.8
599.40955	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17184	0.4
56.96569	23.6
56.96848	1.0
60.05575	0.4
69.01210	2.4
69.01614	0.9
71.95243	0.9
77.65398	0.5
84.96036	2.3
98.97587	42.2
108.97140	0.4
110.96824	0.7
110.97568	8.9
112.99099	1.0
116.98629	13.8
124.99098	0.9
128.98604	9.4
131.00021	0.4
134.99664	3.1
140.98599	1.0
140.99730	0.4
143.00146	1.9
144.98071	0.5
145.51559	0.4
146.99654	4.4
149.01216	0.5
152.98611	2.5
157.00514	0.7
157.01730	8.0
158.99667	7.0
161.01192	1.8
170.99672	3.0
173.04910	0.8
175.02791	20.1
176.03157	0.6
177.00728	5.4
179.02328	0.6
189.00734	2.0
193.03854	9.3
193.73453	0.4
199.02789	10.8
201.00677	1.3
203.02365	1.0
204.05127	0.4
211.02721	1.8
211.04654	0.8
217.03848	38.1
218.04123	1.3
219.01753	6.4
228.41017	0.5
229.03920	5.4
235.04903	10.2
237.02827	6.8
240.05428	0.8
241.03778	1.3
243.05467	0.7
247.05025	2.4
259.04956	2.5
262.64337	0.4
319.07007	100.0
320.07452	4.1
337.08057	75.4
338.08423	3.8
339.08527	0.6
360.09659	2.8
379.08951	0.7
437.13034	0.6
461.11276	0.5
599.18640	16.7
600.18854	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.25
Annotation	Mg-Protoporphyrin IX 13-monomethyl ester
Peak:m/z	Relative Intensity
53.03949	1.5
55.05514	6.3
57.03421	1.1
57.07070	4.8
59.05006	0.9
61.03824	0.9
63.04146	0.9
67.05505	9.9
69.03421	1.9
69.06261	5.9
69.06683	2.9
69.07080	8.5
71.04988	1.4
71.08619	2.1
73.06567	1.0
78.51005	1.0
79.05487	10.3
81.07063	16.4
83.04988	4.4
83.08582	2.2
85.06552	4.2
85.10204	1.2
88.29382	1.0
89.06026	8.8
91.05482	11.1
93.07048	16.5
95.04984	3.2
95.08622	11.3
97.06544	3.1
97.10185	1.4
97.37732	0.9
100.40945	1.0
101.06097	1.0
105.07031	15.5
107.04943	1.6
107.08603	10.0
109.06535	3.8
109.10175	9.7
111.08100	4.2
117.07037	3.7
119.08587	17.2
120.08938	1.4
121.06522	1.6
121.10150	15.9
123.08089	3.7
123.11715	4.0
125.09652	1.5
129.06987	2.4
130.06479	1.2
130.25966	1.0
131.08577	8.2
133.06456	1.3
133.08650	4.9
133.10132	10.6
135.08070	3.9
135.11673	5.0
137.09639	3.5
137.11414	1.2
139.11235	2.5
141.06989	1.2
142.07808	4.0
143.08548	5.3
144.09328	1.1
145.10129	11.5
145.11130	1.3
147.08084	3.2
147.11711	5.9
149.09622	3.6
151.07510	1.8
151.11185	1.5
155.08588	4.4
156.09331	1.8
157.10138	7.0
159.08109	2.1
159.11667	5.5
161.09676	2.7
161.13303	2.2
163.11197	3.2
165.09138	1.8
167.08539	2.1
167.10672	5.5
168.09380	1.4
169.10147	4.5
171.11723	3.7
173.09651	1.3
173.13286	4.8
175.11203	2.6
175.14842	2.6
177.11249	1.8
181.10046	1.6
181.12260	2.8
183.11656	5.0
184.22459	1.1
185.13318	2.2
186.13470	1.1
187.11160	1.5
187.14844	2.0
189.12802	2.2
191.14339	2.1
192.09392	1.3
193.10168	2.2
195.11760	3.1
196.12433	1.3
197.13315	4.0
199.11227	2.0
199.14870	3.6
201.12756	1.9
201.16434	1.5
203.14444	1.5
205.15918	1.8
207.11806	1.2
207.13797	1.2
209.13359	3.4
209.15297	1.4
211.14874	2.4
219.17511	1.4
220.12537	1.1
221.11070	1.1
221.13432	1.8
221.15437	6.3
223.14893	2.5
223.16954	1.1
231.65074	1.3
233.13300	1.2
233.15433	2.3
235.15004	1.4
236.13264	1.0
238.14696	1.3
246.14188	1.3
251.15602	1.2
251.18143	1.0
253.15778	1.3
262.14713	1.3
263.18106	1.3
273.18594	1.0
276.15112	1.1
287.20389	1.2
289.18085	1.1
299.14868	1.1
299.20193	2.4
312.15198	1.3
313.27411	1.0
314.16406	1.9
324.14914	1.9
325.14709	1.1
330.19708	1.3
337.15344	1.2
339.16171	4.4
339.29239	1.2
340.17319	1.2
341.17996	1.1
352.17853	2.6
353.17862	4.5
354.18481	7.3
355.19376	1.5
358.19321	2.7
363.16351	1.8
365.17731	2.8
365.25055	1.2
366.18594	1.5
367.19360	2.6
369.20624	15.4
370.21442	2.0
377.17578	2.0
379.19293	10.1
380.20239	1.5
381.16809	1.8
389.14313	1.4
392.19962	1.2
394.17578	1.4
395.18512	2.0
396.19644	1.4
397.20181	7.8
398.20847	1.5
407.18591	1.4
408.19376	1.4
409.20294	1.9
419.18784	1.3
423.22211	2.6
425.19690	18.9
426.20486	3.2
433.19955	2.1
437.19449	2.1
439.21472	1.4
441.22836	2.5
444.23041	1.3
451.21341	13.0
452.21814	2.2
453.19583	3.1
455.24438	4.6
456.25131	3.6
462.20486	2.7
463.21320	1.8
466.21600	1.2
468.21954	1.7
469.22366	1.6
483.23801	2.8
484.24738	6.0
495.23419	1.2
511.23511	6.7
512.24207	59.0
513.24280	5.6
518.34119	1.6
519.34430	3.0
521.22046	4.7
539.22906	56.3
540.23309	7.5
567.21484	1.6
571.25372	1.6
581.24011	2.4
581.40491	2.1
582.22424	3.6
599.25000	100.0
599.42078	9.4
600.25134	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	599.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	6.0
55.05509	21.2
57.03442	3.7
57.07079	14.5
59.04994	2.7
65.03946	3.8
67.05510	48.1
69.02546	13.5
69.02980	11.4
69.03448	6.0
69.07072	30.6
71.08640	3.8
79.05492	42.5
81.03419	4.5
81.07056	53.7
83.04980	6.6
83.08614	15.4
85.06561	5.7
85.10193	3.3
89.06057	3.9
91.05485	57.6
93.07049	63.0
94.07401	3.3
95.04965	23.3
95.08612	48.4
97.06531	7.7
97.10162	3.4
103.05474	6.3
105.07029	82.8
106.07361	3.8
107.04961	3.7
107.08597	56.6
108.08897	2.6
109.06533	9.9
109.10162	43.1
111.04552	3.5
111.08025	4.5
111.11707	3.6
115.05467	6.8
116.06309	4.2
117.07026	31.3
119.08578	82.8
120.08899	6.5
121.06501	15.0
121.10148	100.0
122.10537	4.3
123.08096	13.7
123.11725	11.6
128.06239	10.8
129.07024	17.5
130.07822	7.6
131.08578	61.9
131.09511	5.3
132.09319	4.9
133.08647	3.2
133.10139	60.5
133.11078	4.9
134.10478	4.0
135.08044	17.4
135.11691	27.4
137.09639	7.3
139.11137	3.7
141.07013	8.7
142.07791	16.0
143.08562	33.3
144.09296	6.2
145.06485	11.9
145.10129	74.1
147.08078	13.3
147.11703	31.4
149.09631	14.5
149.13261	5.3
151.11198	4.8
153.07010	4.8
153.78259	2.6
154.07779	4.1
155.08606	17.9
156.09381	13.1
157.10127	50.8
158.10876	5.8
159.08054	19.1
159.11684	39.4
161.09628	11.9
161.13332	13.1
163.07568	7.2
163.11162	6.5
165.07024	4.4
165.09146	8.7
167.08569	9.6
167.10674	26.5
168.09360	6.5
169.10118	24.8
170.10912	6.4
171.08095	5.3
171.11748	25.1
173.09648	10.8
173.13243	41.9
175.11197	7.1
175.14790	15.7
177.09146	10.9
177.12785	4.2
179.08549	8.4
180.09331	4.7
181.10117	13.6
182.10884	10.4
183.11710	21.8
184.12190	3.9
185.09622	6.7
185.13216	13.9
186.10382	3.2
187.07565	10.2
187.11182	5.9
187.14861	12.9
189.12798	3.5
191.14389	4.6
193.10173	5.9
194.10869	4.7
195.11682	12.9
196.12314	4.5
197.09631	5.5
197.13249	20.9
199.11247	7.3
199.14801	18.6
201.12740	16.8
201.16408	7.3
203.14316	4.9
207.11713	8.5
208.12473	6.6
209.09805	4.8
209.11545	3.9
209.13283	10.3
211.11182	5.1
211.14819	8.3
213.12813	7.2
213.16466	5.9
215.14268	16.1
219.13800	5.6
220.12596	3.8
221.13284	9.2
221.15424	14.1
223.11194	6.3
223.14751	6.8
225.12784	7.7
225.16324	7.0
227.14441	3.2
227.17973	4.3
231.11731	3.7
233.13206	4.9
233.15363	8.0
235.14812	5.5
237.12877	4.4
237.16411	4.1
239.14294	6.2
239.17957	2.9
243.13770	3.6
249.16377	4.8
251.14258	4.4
251.18060	4.4
253.15919	4.5
261.14816	5.2
263.14282	3.8
263.18027	3.6
265.15985	4.8
265.19623	3.9
267.21082	5.2
269.19177	3.2
273.18542	5.0
279.17462	4.8
283.15344	2.9
283.26514	3.4
291.17456	3.6
301.16342	3.9
313.27554	3.1
327.19730	5.3
339.28946	11.6
340.29379	3.4
349.21365	3.3
380.23636	3.5
489.33652	24.9
547.39868	2.9
563.39056	5.3
565.41278	3.7
581.39758	32.0
582.40015	5.0
599.40942	26.6
599.49207	4.2
600.55756	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	599.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.9
54.96178	1.7
55.01884	2.8
55.05508	13.3
57.07078	8.2
59.67030	1.9
65.03945	3.1
67.05507	16.0
69.03415	7.7
69.07068	18.2
70.55276	3.7
75.79673	1.6
79.05491	23.4
81.07061	25.5
83.04979	3.9
83.08602	9.0
85.06516	2.4
89.06030	2.3
91.05480	25.4
93.07042	49.9
94.07405	1.7
95.04948	11.8
95.08611	21.7
97.06550	7.5
101.06030	1.8
103.05462	3.7
105.07028	49.0
107.08591	32.7
109.06505	9.0
109.10162	9.6
111.08146	3.1
111.11708	3.7
115.05434	2.5
117.07037	9.4
119.08582	46.7
121.06509	9.1
121.10139	68.3
123.08079	18.0
123.11708	6.9
125.06018	2.2
125.09648	7.4
125.47104	2.0
128.06253	5.8
129.07030	8.1
131.08556	24.5
133.06503	2.8
133.10133	26.3
134.16850	2.1
135.08058	12.9
135.11676	9.9
137.09605	4.1
139.11215	6.5
141.06975	4.7
142.07813	11.4
143.08588	18.3
144.09366	3.7
145.06500	2.0
145.10121	33.5
146.67050	1.8
147.08081	11.9
147.11691	11.6
149.09607	19.1
149.13274	3.9
150.10022	1.9
151.07552	17.5
151.11176	2.7
153.07083	1.9
155.08542	9.2
156.09335	7.9
157.10126	24.9
158.10728	2.9
159.08032	9.9
159.11705	14.0
161.09622	7.2
161.13228	9.5
163.09737	2.1
163.11230	6.8
163.14682	2.1
165.06961	2.8
165.09081	15.9
167.08624	3.7
167.10675	100.0
168.09392	3.2
168.11041	3.3
169.10071	12.3
170.10913	4.3
171.11685	15.4
173.09660	7.9
173.13277	12.9
175.11244	3.2
175.14886	7.4
177.09177	3.2
179.08572	5.5
180.09386	4.1
181.10146	5.6
181.12325	5.8
182.10919	5.1
183.11678	14.5
184.12517	1.9
185.09671	4.5
185.13249	9.3
187.11191	4.1
187.14749	9.2
189.12643	9.9
191.14352	3.7
192.09412	2.5
193.10211	5.6
194.10916	5.4
195.11674	9.8
196.12366	3.6
197.09660	2.4
197.13242	12.1
199.11166	3.0
199.14830	3.1
200.11650	2.3
201.12764	4.5
201.16455	2.5
203.14345	5.3
206.10994	3.5
207.11728	11.2
207.13803	5.6
208.12476	3.7
209.13350	12.2
209.15184	3.6
211.11214	3.4
211.14978	4.8
213.12926	3.0
213.16298	4.5
215.14342	9.5
219.11745	3.9
220.12526	1.9
221.13258	5.0
221.15414	22.2
223.11261	2.1
223.14865	6.5
225.12738	4.1
225.16454	2.8
227.14345	2.5
229.15872	2.5
231.11716	3.2
231.17354	2.7
232.12486	2.5
233.13240	4.3
233.15318	41.5
234.15869	3.9
235.14885	3.1
237.12709	3.1
237.16373	3.3
239.17819	3.6
245.13248	4.7
247.14835	6.5
251.18008	3.4
253.15848	2.5
257.13162	3.7
259.20560	3.0
261.16437	4.0
263.18103	2.1
265.19550	3.3
273.18427	2.7
281.18784	3.5
283.20334	4.1
286.19293	2.9
287.20444	2.6
289.19485	2.6
295.20572	2.7
297.22617	2.3
299.20123	6.5
315.19867	2.3
361.25320	2.6
377.24902	4.8
391.26242	5.8
419.29178	3.3
507.34341	2.8
563.38702	2.7
571.41254	4.5
581.39948	17.2
582.40637	3.6
599.40930	79.9
600.41589	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68643	1.0
51.02370	1.1
52.72900	1.1
53.03949	4.5
55.01871	4.4
55.05512	18.0
56.60867	0.9
57.03442	3.7
57.07076	9.2
59.04992	2.3
65.03934	6.7
67.05502	41.3
69.03428	9.4
69.07068	23.3
71.04990	3.1
71.08633	11.2
77.03923	1.9
79.05490	46.9
81.03416	2.0
81.07053	53.1
82.07379	1.4
82.33507	1.0
83.04978	6.1
83.08614	10.5
85.06538	5.9
89.06023	5.8
91.05476	70.9
92.05806	2.4
93.07041	76.9
94.07365	2.1
95.04970	23.6
95.08605	46.5
96.08907	1.5
97.06534	9.0
97.10157	2.6
98.22642	2.9
99.08075	7.3
103.05463	7.3
104.06268	1.5
105.04510	3.1
105.07029	97.8
106.07291	1.3
107.04959	6.5
107.08593	63.5
108.09436	1.2
109.06512	12.2
109.10149	46.0
111.04417	1.7
111.08082	3.9
111.11790	1.4
115.05452	10.0
116.06234	2.6
117.07014	37.0
119.04996	1.2
119.08578	92.6
120.08847	1.2
121.06516	15.1
121.10142	100.0
122.10481	3.0
123.08064	12.3
123.11704	11.3
125.05974	1.8
125.09630	2.1
128.06235	11.3
129.07010	21.8
130.07797	8.7
131.08569	65.1
131.18716	1.2
132.09355	2.0
133.06525	6.0
133.07506	1.9
133.08582	3.9
133.10127	59.8
134.10490	1.9
135.08052	15.8
135.11688	27.7
135.12682	1.8
136.12003	1.7
137.06015	2.0
137.09598	7.9
139.07626	1.4
139.11234	4.4
141.06966	10.4
142.07782	19.5
143.08560	42.2
144.05634	1.1
144.09338	9.1
145.06488	16.9
145.10120	84.5
146.07222	2.1
146.10526	2.3
147.08040	17.1
147.11682	33.3
148.12091	1.8
149.06012	4.2
149.09616	15.5
149.13271	6.8
151.07568	4.6
151.11157	6.0
153.06992	3.5
154.07780	4.2
155.05980	1.4
155.08548	19.5
156.09323	14.4
157.10123	46.0
158.07269	2.8
158.10919	7.2
159.08069	24.5
159.11682	43.3
160.08882	2.5
160.12189	1.6
161.09642	12.0
161.13254	12.7
163.07501	6.2
163.11168	7.5
163.14883	1.7
165.06999	5.4
165.09117	4.3
165.12798	1.8
166.07793	2.3
167.08563	8.9
167.10663	34.4
167.12045	2.0
168.09363	8.6
168.10800	1.5
169.10130	26.9
170.10887	5.9
171.08047	4.8
171.11678	30.9
172.08797	2.3
172.12361	3.0
173.09628	14.1
173.11768	1.8
173.13248	41.6
174.10419	1.6
174.13736	2.0
175.11159	8.8
175.14806	14.3
177.09087	9.0
177.12778	4.5
178.07765	1.1
179.08530	8.0
179.14397	1.5
180.09337	4.2
181.10109	11.8
182.10895	9.5
183.08095	2.8
183.10179	2.2
183.11693	22.0
184.08897	1.7
184.12366	2.5
185.09645	8.3
185.13248	20.2
186.10382	2.5
186.13785	1.4
187.07545	14.1
187.11154	9.0
187.14798	15.8
188.15096	1.1
189.09154	2.9
189.12715	6.4
189.16415	3.2
191.08566	1.0
191.14305	3.6
192.09363	3.6
193.10147	6.8
194.10957	4.2
195.07904	1.2
195.11684	14.4
196.08836	1.5
196.12483	4.5
196.27802	1.3
197.09624	4.1
197.13252	23.8
197.14954	1.9
198.10374	1.8
198.13905	3.6
199.11151	7.4
199.14819	18.7
200.11931	2.2
200.15524	3.0
201.09038	2.2
201.12727	20.6
201.16393	8.6
203.10670	2.3
203.14273	5.0
205.08438	1.9
205.10245	2.3
206.10977	3.1
207.11771	9.8
207.13756	2.1
208.12463	3.4
209.09581	3.2
209.13287	14.8
209.15289	2.1
210.10394	1.7
210.13988	4.1
211.11214	8.5
211.14792	11.0
212.15347	1.5
213.12743	5.9
213.16396	4.7
215.10771	2.0
215.14308	19.2
215.17865	1.6
216.14745	1.5
217.10107	2.2
217.12242	1.9
217.15939	1.4
219.11696	3.5
219.13834	9.9
220.12553	2.6
220.14510	1.6
221.09691	1.7
221.13275	8.1
221.15424	10.6
222.10387	1.2
222.13889	1.9
223.11186	3.5
223.14847	8.9
224.11833	1.1
225.12770	8.0
225.16348	6.2
227.10652	2.3
227.14313	3.6
227.17957	7.8
229.12303	2.0
229.15909	2.5
231.11674	2.5
231.17484	1.2
232.12553	2.3
233.13179	4.7
233.15402	14.8
234.13940	1.9
235.11359	2.4
235.14824	6.1
235.16866	1.2
237.12726	3.3
237.16423	4.5
239.14328	4.4
239.17937	5.0
241.12233	2.1
241.15849	2.6
241.19635	4.9
243.11655	1.6
243.13843	4.8
243.17453	2.1
244.12521	1.6
245.13171	2.4
246.14009	1.6
247.14868	3.1
247.17009	2.7
247.24223	1.6
249.12756	1.8
249.16374	4.4
249.18689	1.7
251.14334	3.9
251.17926	3.1
253.12311	2.1
253.15871	4.0
253.19563	3.6
255.13907	1.5
255.17493	3.1
257.13269	1.7
257.19037	1.9
258.14133	1.3
259.14767	2.7
259.20590	3.7
260.12238	1.1
261.12570	1.9
261.14713	9.6
263.14389	4.0
263.17972	4.1
264.14972	1.3
265.15759	2.9
265.19446	3.5
265.25159	2.0
267.17548	3.7
267.21088	3.8
269.19012	2.1
271.17313	1.7
273.16025	1.8
273.18607	2.8
275.14517	1.8
275.17462	1.4
275.20087	3.4
277.15952	3.3
277.19339	1.5
279.13998	1.5
279.17474	2.3
281.19086	2.0
283.17325	1.6
285.18762	2.1
289.18124	3.6
291.17477	2.6
291.21021	2.9
293.15497	1.6
293.18729	1.8
297.19077	1.2
299.20172	2.1
303.19781	2.0
305.18903	1.2
307.20325	2.5
309.18500	2.4
311.20206	2.0
313.18228	1.7
317.20895	9.0
319.20630	2.0
319.24216	1.4
320.25305	1.8
323.22305	2.5
327.19638	6.5
333.22015	2.3
335.20032	1.3
339.28882	1.9
349.21295	1.7
351.22980	2.2
352.23990	2.1
361.25528	2.0
363.23145	1.4
365.24683	1.5
367.22552	3.4
368.23630	1.8
373.23547	8.7
374.23865	1.1
380.23309	3.2
389.24850	1.8
391.26328	3.0
393.24072	2.5
405.23892	1.8
409.31232	1.5
411.27206	1.7
433.27383	1.7
441.27847	1.7
443.29572	1.3
453.31647	1.3
459.29095	2.1
461.30560	3.3
483.33539	2.0
487.33380	1.5
489.33539	28.4
490.33716	3.7
507.34592	3.5
525.33710	3.5
563.38763	3.8
581.39954	41.2
582.40149	5.5
599.34546	87.7
600.34772	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	599.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21536	3.1
51.02374	3.8
53.03940	7.6
55.01876	5.7
55.05513	24.4
57.03435	2.7
57.07087	13.3
59.04993	4.5
65.03941	7.0
67.05508	55.2
69.03426	10.1
69.07069	24.3
70.63727	2.7
71.05003	4.0
71.08635	6.7
79.05489	50.0
80.05836	3.1
81.03411	6.3
81.07056	58.9
82.07394	3.2
83.04979	8.1
83.08630	13.9
85.06551	7.9
91.05484	63.3
93.07049	86.2
95.04971	24.4
95.08607	49.9
96.08947	3.7
97.06530	16.0
97.10166	2.5
103.05485	5.9
105.04507	5.1
105.07036	100.0
106.07355	4.6
107.04935	4.2
107.08600	54.4
109.06506	13.2
109.10160	42.5
111.08077	6.6
115.05469	7.4
117.07021	31.2
119.04979	2.5
119.08585	87.2
120.08938	4.1
121.06513	11.1
121.10145	85.3
123.08064	19.3
123.11700	10.3
128.06204	13.0
129.07008	23.1
130.07776	9.5
131.08563	55.7
133.06532	6.0
133.10130	58.8
135.08049	15.9
135.11681	25.4
137.09579	10.4
137.10501	3.3
139.11168	3.2
141.07014	10.2
142.07784	18.2
143.08556	40.1
144.09306	9.6
145.06471	9.2
145.10118	65.0
146.10510	3.2
147.08020	17.4
147.11699	28.3
149.09628	16.0
149.13254	3.2
151.07547	5.8
151.11172	4.6
153.06923	2.8
155.08549	19.3
156.09326	13.2
157.10129	42.2
158.10944	6.4
159.08072	16.2
159.11702	41.6
160.11996	4.1
161.09599	11.8
161.13263	11.3
163.07542	2.7
163.11156	7.4
165.06949	4.4
165.09137	16.2
167.08601	8.7
167.10669	15.2
168.09360	7.1
169.10146	21.8
170.10799	5.1
171.08076	4.7
171.11714	24.2
172.08813	3.2
173.09610	10.3
173.13284	29.6
174.13603	2.5
175.07448	2.6
175.11160	9.2
175.14821	10.6
177.09146	5.6
177.12779	5.0
179.08557	7.9
180.09372	5.0
181.10132	12.6
181.12305	3.4
182.07364	2.9
182.10892	7.6
183.11659	18.1
184.12454	4.2
185.09654	7.0
185.13278	12.9
187.07503	7.9
187.11198	7.2
187.14828	12.5
189.12737	6.2
190.83185	2.7
191.14240	3.8
192.09322	2.9
193.10100	10.5
194.10858	4.5
195.11694	14.0
196.12364	4.2
197.09587	3.8
197.13280	17.9
199.11185	7.5
199.14807	16.3
201.12767	11.2
201.16394	10.1
202.13501	3.1
203.14270	7.8
205.10016	4.6
206.10989	3.2
207.11691	11.1
208.12566	4.9
209.13307	13.6
211.11218	7.9
211.14862	9.9
213.12727	5.9
213.16307	4.7
215.14296	9.6
219.13838	3.6
220.12384	4.6
221.13214	10.1
221.15404	25.8
223.11182	3.5
223.14854	7.5
225.12740	5.6
225.16415	6.3
229.16006	4.8
231.11858	3.1
233.13210	4.2
233.15340	6.1
235.14890	6.9
236.15115	2.7
237.12778	3.6
237.16393	3.2
239.14220	4.0
241.15854	4.2
243.13863	5.3
245.13295	4.0
247.14812	5.2
247.17094	6.6
250.13176	2.8
251.17984	3.7
259.17038	3.8
263.18076	3.2
267.17514	3.0
273.18658	4.0
279.17566	3.4
291.17413	4.6
291.20749	2.9
309.18188	2.9
327.19479	3.1
329.21326	2.9
335.25760	5.4
380.23486	3.5
489.33420	14.9
581.40057	25.3
582.39978	3.4
599.42059	20.9
600.41473	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	599.4095
Annotation	4,4'-Dihydroxydiatoxanthin
Peak:m/z	Relative Intensity
53.03951	4.2
53.64153	1.8
55.01878	3.1
55.05514	10.5
57.07081	10.5
59.05011	3.0
59.61007	1.9
60.62976	2.1
64.44270	1.7
65.03949	2.5
67.05512	21.0
69.03440	10.2
69.07074	21.0
69.49829	9.6
71.05006	3.1
71.08656	3.3
79.05486	22.0
81.03446	5.0
81.07059	27.3
81.07455	2.0
83.05003	4.9
83.08629	8.6
85.02936	3.0
85.06576	5.3
91.05486	26.5
93.07051	49.8
95.04980	12.0
95.08610	28.9
95.09169	2.2
97.02931	5.3
97.06574	8.0
97.10183	2.3
98.22701	2.1
99.04447	8.2
105.07040	40.4
106.07346	2.3
107.05008	3.0
107.08587	28.0
108.09035	1.9
109.02927	6.9
109.06584	6.8
109.10163	15.0
111.08138	3.4
111.11794	3.7
113.09621	1.9
115.05486	4.3
117.07009	9.2
119.08584	42.5
121.06548	5.3
121.10148	71.2
121.10995	3.8
123.08064	13.5
123.11697	9.2
125.06042	1.8
125.09702	5.3
127.03899	12.5
128.04330	5.4
128.06300	6.1
129.07050	7.6
130.07793	3.9
131.08568	19.4
133.06544	4.0
133.10138	27.2
135.08095	8.8
135.11713	11.8
137.09692	5.2
139.11266	5.2
141.07043	5.7
142.07790	9.2
143.08562	19.7
144.09358	3.1
145.10124	33.2
147.08041	9.7
147.11690	12.3
149.06029	2.0
149.09621	17.5
151.07599	13.8
154.07785	2.1
155.08606	9.7
156.09424	8.0
157.10147	26.2
158.10889	1.9
159.08116	9.5
159.11687	16.9
161.09686	7.3
161.13330	5.6
163.11272	6.6
165.07121	1.9
165.09090	12.0
165.15698	2.0
167.08629	4.2
167.10686	100.0
168.09428	3.8
168.11055	2.4
169.10127	11.8
170.11029	3.6
171.11708	13.8
173.09712	5.4
173.13239	10.4
175.11278	6.6
175.14917	7.9
179.08690	5.3
180.09406	3.2
181.10109	8.5
181.12315	5.3
182.10976	5.4
183.11726	16.0
185.09715	5.3
185.13327	9.1
187.11292	4.8
187.13016	1.6
187.14958	5.4
189.12741	9.3
191.14441	5.0
192.09325	2.5
193.10228	5.5
194.11093	2.5
195.11739	10.7
196.12590	2.9
197.09651	2.5
197.13245	12.4
199.11357	3.4
199.14983	4.7
201.12906	4.1
201.16467	4.1
203.14323	10.1
205.15950	2.4
206.10915	2.6
207.11806	8.5
207.13884	4.7
209.13281	9.9
211.11276	3.8
211.14972	6.5
213.12846	4.3
213.16400	2.8
215.14467	7.0
218.10791	1.7
219.13864	2.2
219.17551	2.5
220.12624	2.6
221.13361	7.4
221.15508	25.6
223.11269	3.1
223.15007	7.1
225.12869	5.7
225.16492	3.8
227.14497	2.4
231.11844	2.7
233.13283	4.3
233.15349	41.2
234.15935	2.6
235.14926	5.7
237.12865	3.8
237.16499	3.8
239.14413	2.7
239.18027	2.6
241.19601	1.9
245.13454	4.7
247.14891	4.2
247.17148	3.5
249.16516	3.8
251.14546	2.3
251.18054	4.0
255.17653	3.0
259.14923	2.9
271.20822	2.3
273.18607	4.0
279.17520	2.6
286.19418	2.8
287.20172	4.8
295.20636	2.3
299.20270	6.6
311.20187	5.3
323.20093	2.8
325.22058	2.0
351.23416	2.7
361.25461	2.4
365.24915	6.1
377.24908	4.9
391.26437	4.8
393.24542	3.5
402.29483	2.8
419.29602	3.5
443.29904	2.0
476.20023	1.9
507.34439	2.5
563.38995	3.4
581.40057	16.4
582.40698	3.8
586.72186	1.9
586.93835	2.2
599.41180	89.5
600.41541	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	599.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22912	1.3
53.03945	3.3
53.59813	1.7
55.01870	1.7
55.05511	15.6
55.49566	1.4
57.07079	9.9
59.05013	2.5
62.87128	1.7
65.03934	3.6
67.05511	26.4
69.03435	12.1
69.07070	25.1
71.05007	3.4
71.08644	1.9
77.03933	2.4
79.05492	29.9
81.07054	34.8
83.04987	11.8
83.08624	11.6
85.06532	3.9
89.06052	2.0
91.05482	40.7
93.07044	70.4
93.07632	4.0
94.07401	2.1
95.04969	20.5
95.08612	31.8
97.06535	10.4
97.10223	2.4
103.05488	2.6
105.04506	2.6
105.07027	62.7
107.04954	4.4
107.08591	51.2
109.06513	12.1
109.10173	17.1
111.08081	4.7
111.11737	4.8
115.05499	4.7
117.07011	11.7
118.06615	1.7
119.04903	2.5
119.08582	51.7
120.08928	2.6
121.06517	10.5
121.10138	80.6
123.08076	15.2
123.11704	8.4
125.05997	2.3
125.09652	7.0
128.06233	6.6
129.07008	11.1
130.07809	4.2
131.08580	29.5
133.06508	6.1
133.07500	2.4
133.10132	39.8
135.08051	13.9
135.11679	13.8
137.05992	2.2
137.09637	8.1
139.11186	6.5
141.06990	5.7
142.07756	11.6
143.08556	22.1
144.09378	4.7
145.06508	2.8
145.10132	39.7
146.07378	2.0
147.08041	15.8
147.11713	12.7
149.09616	19.9
149.13319	3.3
151.07565	17.6
151.11180	3.9
153.09126	2.5
154.07727	2.6
155.08557	12.2
155.10643	1.9
156.09329	8.3
157.10130	32.9
158.10869	3.2
159.08055	13.5
159.11700	18.8
160.12274	2.0
161.09633	10.0
161.13264	4.8
163.11214	8.0
165.09105	16.5
166.07825	2.6
167.08507	7.0
167.10680	100.0
168.09377	5.7
168.10989	4.6
169.10144	21.1
170.10915	5.8
171.08133	3.1
171.11697	17.2
172.12460	1.7
173.09676	8.6
173.13272	14.7
175.11215	6.0
175.14838	9.0
177.12764	2.7
178.07869	2.5
179.08563	6.7
180.09312	4.9
181.10085	11.1
181.12257	6.7
182.10880	5.7
183.08032	1.7
183.11688	15.7
185.09660	7.5
185.13260	12.7
187.11160	7.1
187.14850	7.4
188.15306	1.9
189.12762	11.9
189.16396	2.8
191.14264	4.8
193.10184	8.4
194.10948	5.4
195.11674	14.6
196.08894	2.3
196.12457	4.0
197.13261	12.8
199.11327	3.8
199.14864	7.5
200.85683	2.0
201.12889	3.1
201.16335	2.4
203.14340	6.6
205.10187	2.2
206.10886	4.3
207.11714	9.1
207.13829	12.4
208.12500	3.8
209.09621	2.1
209.13365	11.7
209.15173	3.0
210.10448	2.5
210.13849	2.9
211.11209	5.0
211.14763	8.1
213.12770	5.9
213.16382	4.2
215.14375	9.1
217.10225	2.5
217.15958	3.6
219.11700	6.7
219.13727	2.5
220.12521	3.0
221.13266	8.2
221.15404	28.3
222.13924	3.7
222.15837	2.1
223.11331	3.3
223.14801	8.1
225.12779	4.7
225.16341	4.4
226.13371	2.3
227.14319	5.0
228.92944	2.4
229.15948	2.6
232.12448	2.9
233.13252	7.8
233.15340	49.8
234.15900	4.0
235.14777	4.0
237.16429	4.2
239.14297	2.9
239.17975	2.2
245.13303	3.8
247.14781	3.5
247.16980	5.6
249.16452	3.5
251.14209	4.7
251.18008	2.9
255.17493	2.5
259.14844	4.1
261.16406	4.0
263.17908	2.5
265.19589	2.1
267.17499	3.3
271.14853	3.0
273.18539	7.8
275.17789	2.6
277.15952	2.6
277.19287	2.6
279.17349	2.2
281.19003	4.1
286.19235	2.2
287.20026	5.1
299.20322	8.9
305.18973	2.0
311.20010	5.3
312.20901	2.2
347.23212	2.0
361.25464	2.5
365.24802	4.3
377.24402	3.4
391.26309	5.5
507.34259	2.7
563.38666	4.7
581.39929	21.0
582.40137	2.8
599.41449	86.8
600.41962	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	599.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	2.7
53.03949	10.9
55.01874	12.7
55.05513	42.8
57.03434	17.3
57.07085	3.8
59.04994	3.3
65.03934	7.3
67.05507	89.2
69.03423	7.1
69.07072	35.2
71.04974	3.7
71.08630	2.1
71.28855	2.9
73.06541	2.9
77.03915	3.0
79.05493	92.2
80.05842	2.1
81.03411	6.1
81.07059	92.5
83.04966	8.6
83.08624	13.3
85.06530	14.1
91.05481	99.8
93.06473	4.7
93.07043	90.0
94.07375	4.2
95.01331	2.9
95.04968	19.0
95.08607	60.4
97.06531	25.8
97.10156	7.1
99.08105	4.1
103.05479	4.9
105.04539	3.3
105.07029	100.0
107.04959	10.8
107.08595	50.8
109.06512	9.2
109.10166	34.5
110.10497	2.0
111.08075	8.7
115.05470	4.6
117.07017	28.4
119.08580	72.5
121.06483	4.9
121.10138	50.3
123.08051	15.1
123.11710	11.6
125.09643	4.9
128.06224	7.2
129.06999	11.8
130.07820	5.2
131.08568	42.3
133.10135	51.2
135.08061	6.7
135.11707	20.2
137.09627	9.6
139.11176	6.1
141.07002	4.3
141.42357	2.3
142.07755	7.8
143.08557	17.9
144.09332	2.3
145.10121	42.8
147.08043	6.0
147.11665	24.8
149.09636	13.9
149.13268	7.0
151.07590	1.9
151.11183	8.5
154.07784	2.2
155.08517	4.9
156.09311	5.0
157.10112	16.5
159.11699	23.5
161.09581	6.8
161.13240	6.2
163.11174	8.6
165.09111	6.0
165.12756	3.0
167.08545	4.0
167.10617	2.8
169.10136	8.6
170.10938	3.8
171.11653	12.5
173.09537	2.8
173.13222	14.5
175.11232	7.1
175.14819	7.9
177.12730	4.8
179.08525	5.0
179.14311	8.3
181.10091	4.5
182.10895	3.7
183.11732	10.7
183.13805	5.8
185.13228	8.8
187.11165	2.6
187.14856	6.2
189.12759	3.0
193.10100	3.2
194.10999	2.9
195.11705	6.8
197.13261	9.5
197.67329	2.3
201.16449	5.4
203.14316	7.1
205.12207	2.3
205.15872	6.5
207.11623	3.6
207.13713	2.0
209.13286	7.3
211.14854	3.4
215.17937	5.4
219.17436	82.8
220.12462	2.5
221.13335	4.8
221.15385	9.9
223.14948	3.3
223.16945	6.0
233.15477	4.3
233.18925	3.1
237.12715	2.3
237.16229	3.0
239.17920	2.2
245.92976	2.5
257.18869	5.6
263.17975	2.3
275.20099	44.9
291.19543	7.3
307.22693	91.7
308.23001	5.1
349.23584	14.1
507.34396	2.6
567.41638	2.9
581.41913	43.8
582.42572	3.0
599.41425	16.6
600.43542	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	599.447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.8
54.39969	2.5
55.01866	10.6
55.05510	38.7
57.03441	6.4
57.07066	9.2
57.87584	2.3
59.05003	18.3
65.03930	5.2
67.05505	56.7
69.03422	8.4
69.07066	46.3
70.28535	2.7
71.04982	9.7
71.08641	3.3
73.06554	5.5
79.05489	61.3
81.03432	4.5
81.07056	85.0
82.07391	2.8
83.04985	10.4
83.08606	15.0
85.06542	77.0
89.06060	3.4
91.05479	66.6
93.07039	75.8
95.04952	12.6
95.08601	58.5
95.09171	5.2
97.06525	18.3
97.10139	3.9
99.08109	3.8
101.06007	9.2
103.05486	5.1
105.07027	89.3
106.07385	2.5
107.04957	10.0
107.08589	64.0
109.06528	27.2
109.10154	51.6
111.08064	31.1
117.07003	27.2
119.08582	100.0
121.06504	8.4
121.10143	70.6
122.07233	3.6
122.10464	3.3
123.04445	2.5
123.08093	15.2
123.11702	13.9
125.09640	6.7
128.06204	7.2
129.06976	16.8
130.07808	8.0
131.08569	47.9
133.06502	4.9
133.10129	66.4
135.08044	16.1
135.11688	34.4
137.09602	21.1
137.13197	2.5
139.11183	9.0
141.06989	6.9
142.07767	14.2
143.08560	28.7
144.09268	9.5
145.10117	76.3
147.08075	6.1
147.11661	34.7
149.09602	22.6
149.13268	9.9
149.62973	2.8
151.11183	17.5
153.06947	5.0
155.08536	11.0
156.09325	10.5
157.10135	40.3
158.10919	5.5
159.08086	7.1
159.11691	34.7
161.09631	10.3
161.13249	16.3
163.11203	14.5
163.14845	4.8
165.07025	5.0
165.09085	5.5
165.12767	3.2
167.08540	5.4
167.10739	3.3
168.09337	3.9
169.10130	18.0
170.10831	5.2
171.11685	28.1
172.08823	3.2
172.12228	2.7
173.09592	5.1
173.13275	32.6
175.11200	8.4
175.14799	32.2
177.12753	8.9
179.08505	6.1
179.80106	2.4
181.10133	9.6
181.12166	4.4
181.95816	2.9
182.10875	3.2
183.10257	3.7
183.11649	15.2
184.12462	3.5
185.13202	17.0
187.11205	7.3
187.14847	14.7
189.12750	8.2
189.16348	3.9
191.14320	33.0
192.09351	3.8
192.14713	2.8
193.10129	7.5
193.15773	2.9
194.10924	6.0
195.11694	13.1
196.12442	4.2
197.13257	15.7
199.14900	12.2
201.12740	4.5
201.16371	8.2
203.14342	6.8
205.15887	8.0
206.10977	3.6
207.11717	11.7
208.12427	5.8
209.13271	22.1
209.15157	4.2
210.13829	3.4
211.14780	13.2
213.12660	5.2
213.16380	6.0
214.13087	2.4
217.10080	3.3
217.15857	3.9
218.10803	2.4
219.17352	6.8
220.12521	5.6
221.13213	10.0
221.15395	10.5
223.14813	13.4
223.16768	4.4
225.12868	3.3
225.16417	5.9
227.18025	3.4
231.11673	3.9
231.17438	3.3
233.13261	4.1
233.15392	3.6
235.14774	10.7
237.16428	10.2
239.17899	6.2
241.19554	3.2
245.13229	3.0
247.14882	4.6
247.16962	10.5
249.18500	4.9
251.17929	5.4
257.19019	5.1
259.14822	3.5
261.16351	6.0
261.21964	3.6
263.17874	3.3
265.19553	2.7
271.14590	3.1
275.17731	4.6
275.20413	3.6
277.16302	2.5
277.19345	3.7
283.20541	6.6
285.22177	6.4
307.22931	4.0
317.22498	4.1
321.20663	7.1
335.26001	16.8
339.29190	2.8
349.24533	3.0
361.25290	6.0
393.28033	4.6
411.30380	5.0
427.29459	2.9
429.31430	7.0
438.96066	2.7
443.31708	3.1
549.40778	9.3
567.41760	10.3
581.42218	21.6
599.44177	30.5
600.43872	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07459	0.7
53.03946	1.9
55.01870	2.4
55.05508	1.5
57.03430	3.6
63.45662	0.6
67.05497	3.1
69.03423	7.7
69.07069	4.8
71.04990	2.0
71.30304	0.8
71.30668	1.1
79.05493	13.9
80.04999	1.0
81.03405	5.0
81.07056	2.6
83.04981	1.5
85.02901	6.2
86.06053	1.1
87.04427	0.8
89.03928	2.3
91.05478	1.3
93.07036	1.0
95.04974	2.3
97.02886	6.0
97.06530	59.1
98.06029	1.1
98.06864	1.8
99.04446	2.3
107.04948	1.1
109.02856	2.6
111.04410	0.9
111.08054	2.2
112.08875	1.2
113.02380	1.3
113.06035	1.0
115.05457	0.9
117.03358	2.8
127.03924	3.8
129.07001	1.1
131.03438	0.8
133.02847	1.1
134.03569	1.3
135.04405	4.1
139.70270	0.7
141.06955	1.0
145.02861	5.7
147.04395	1.5
157.06509	1.8
159.04352	3.6
159.08031	2.0
161.02344	10.6
163.03906	35.1
167.08563	2.0
169.06462	2.6
171.08069	0.9
173.02327	18.0
175.03973	0.9
175.07571	2.6
185.05969	5.2
187.07544	2.3
191.03416	1.8
195.08054	2.6
197.06024	2.7
199.03886	1.1
199.07655	0.8
200.04724	2.8
213.05409	0.7
213.09113	2.1
215.07028	39.9
216.07381	1.3
217.05014	0.9
217.08589	0.9
223.07550	1.3
231.10216	1.2
233.08133	1.9
241.08617	8.1
243.10175	1.2
259.09662	100.0
260.10028	5.6
273.11200	9.9
291.12216	1.0
385.12790	1.8
403.13882	20.0
404.14227	0.9
421.14911	4.2
435.16415	2.1
533.16565	14.9
534.16278	1.1
600.26782	1.6
600.40887	1.3
601.27515	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07622	3.2
53.03945	8.0
55.05274	4.2
55.05517	47.7
56.81865	3.8
57.03432	8.4
57.07076	25.3
58.06594	24.9
59.05002	4.4
59.07383	7.7
60.70465	3.0
67.05507	75.9
68.05826	4.5
69.03458	3.9
69.07068	65.2
71.04987	5.3
71.08638	12.8
71.27811	4.7
75.04486	5.2
79.05499	50.0
80.05861	3.8
80.99337	3.8
81.03444	5.2
81.07059	85.8
82.07407	4.7
83.04993	7.0
83.08619	45.3
85.02906	8.5
85.06544	5.0
85.10191	7.6
87.04461	4.4
89.06032	17.7
91.05479	34.2
93.07047	62.7
94.07370	6.7
95.04973	9.8
95.08604	80.3
95.44351	3.2
97.02909	3.9
97.06561	11.4
97.10174	26.9
99.04500	3.8
99.08089	3.7
105.07029	43.4
106.07342	5.4
107.08604	40.0
108.08879	3.7
109.02895	7.2
109.06546	8.0
109.10165	46.6
111.04414	4.2
111.08087	9.4
111.11724	4.7
115.05517	4.2
116.71538	3.5
117.07032	13.7
119.08573	34.1
120.08943	5.1
121.06446	5.3
121.10152	64.6
122.10519	9.6
123.08108	9.0
123.11681	16.1
124.12068	3.7
125.09652	6.0
127.03956	3.6
128.06256	6.5
129.07043	8.2
131.08562	18.4
132.08882	4.3
133.08632	8.9
133.10138	28.0
134.10468	7.3
135.08080	3.9
135.11697	39.4
137.09689	4.4
137.13275	7.7
139.11169	7.3
141.06973	5.3
142.07774	9.5
143.08583	15.0
144.10246	12.1
145.10112	30.4
147.08058	8.3
147.11697	10.1
149.09641	8.5
149.13283	15.8
151.07500	5.0
151.14781	7.0
155.08620	7.7
156.09360	7.9
157.10143	10.3
158.10808	4.3
159.08116	5.6
159.11731	14.6
161.09639	6.1
162.11229	3.8
163.11235	4.5
163.14932	5.3
165.07068	3.5
165.09100	7.5
167.08617	4.0
167.10698	25.3
168.11029	7.5
169.10168	8.2
170.10785	4.8
171.11737	10.7
173.13300	13.7
175.11156	7.1
175.14815	7.5
177.11301	3.8
181.10094	6.7
183.11662	10.4
184.12108	4.2
185.13229	6.7
186.10196	4.1
187.11275	5.8
187.14761	5.4
188.11771	4.1
190.99998	4.1
191.17873	3.4
192.10942	3.6
193.10248	4.2
195.11757	6.4
197.13263	7.4
199.11285	3.8
199.14851	4.0
203.14308	6.5
207.11664	5.0
209.13338	6.4
215.14516	3.3
221.13365	4.4
221.15410	13.1
233.15482	4.2
236.14908	63.8
247.24213	50.9
255.17546	4.4
265.25247	100.0
266.25650	5.2
273.16052	3.7
283.26312	15.3
299.20096	6.1
339.28915	85.6
340.29227	5.0
357.29922	22.2
462.97690	4.3
474.37598	7.8
565.30542	10.6
582.42041	9.3
600.44672	90.9
601.43945	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	600.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28502	3.0
53.03940	7.3
55.01867	3.2
55.05507	20.4
57.03446	5.1
57.07085	13.9
57.48723	2.7
59.04982	3.0
59.77937	2.9
65.03922	5.4
67.05507	39.6
69.00155	22.5
69.03423	12.3
69.07068	23.7
71.05006	5.3
77.03919	3.6
79.05494	44.1
81.03415	7.2
81.06568	5.3
81.07052	52.9
82.07378	4.2
83.04988	12.9
83.08616	9.6
83.16477	2.6
85.06538	11.0
89.06039	4.0
91.05481	71.1
92.05801	6.6
93.07041	76.5
94.07372	7.1
95.04966	24.4
95.08611	43.7
95.22639	2.7
97.06529	15.2
103.05446	5.6
105.05524	3.1
105.07027	100.0
106.07333	5.1
107.04971	7.2
107.08596	55.6
108.08942	4.2
109.06513	19.3
109.10156	28.5
110.10490	3.3
111.08067	5.5
115.05434	7.1
117.07026	21.2
118.07376	2.7
119.08576	81.0
119.09432	4.3
120.08871	3.2
121.06497	19.5
121.10143	53.5
122.10495	7.2
123.08066	25.2
123.11720	11.6
125.05981	4.1
125.09647	6.0
128.06227	14.9
129.07025	21.9
130.07761	7.8
131.08580	46.8
132.08899	5.2
133.06520	8.8
133.08604	5.2
133.10135	47.9
134.10457	5.3
135.08049	24.7
135.11707	17.3
136.11948	4.3
137.05949	3.8
137.09610	7.9
139.11168	3.3
141.07011	8.2
142.07793	28.4
143.08566	45.8
144.09348	13.8
145.06474	8.4
145.10143	51.6
146.10632	4.8
147.08043	32.8
147.11707	20.5
149.09605	17.4
151.07529	19.1
153.06976	2.9
154.07680	4.1
155.08540	19.2
156.09314	16.6
157.10120	64.9
158.07280	4.5
158.10754	9.9
159.08081	18.5
159.11664	32.6
160.08733	6.1
160.12041	4.7
161.09642	18.3
161.13277	8.1
162.10182	3.6
163.11215	13.5
165.06981	4.6
165.09129	30.3
166.07793	4.1
166.09448	3.3
167.08594	7.0
167.10725	12.8
168.09319	8.0
169.10097	25.2
169.80139	2.7
170.10858	8.9
171.08064	3.4
171.11674	31.6
172.12268	8.5
173.09624	13.9
173.13249	18.8
174.10233	3.1
174.13615	3.2
175.11150	21.0
175.14839	8.2
177.01297	2.6
177.09134	4.1
177.12738	5.1
178.07808	4.8
179.08578	12.2
180.09419	4.5
181.10039	14.7
181.12248	7.1
182.10928	7.4
183.11700	23.0
184.12422	4.9
185.09671	9.3
185.13222	20.7
186.10361	3.3
186.13770	3.6
187.07555	4.8
187.11238	7.7
187.14806	10.0
189.12732	11.4
190.13428	6.6
191.10645	3.9
191.14224	5.7
193.10139	11.9
193.12088	5.8
194.10893	8.3
195.11716	18.9
196.12384	4.3
197.09689	3.4
197.11641	4.2
197.13258	16.9
198.13770	5.3
199.11171	11.6
199.14836	11.5
201.12704	9.7
203.14291	20.4
205.10138	3.6
205.12320	3.2
206.10912	7.0
207.11711	13.3
207.13777	11.4
208.12540	6.7
208.14471	6.1
209.13303	15.3
209.15099	3.1
210.13898	8.2
211.11134	5.7
211.14822	12.7
212.11865	3.3
213.12695	8.5
215.14401	3.8
217.10129	3.6
219.11800	6.3
219.13826	5.3
220.12357	6.6
221.13336	6.6
221.15346	60.8
222.13852	4.9
222.15819	6.5
223.11183	4.5
223.14838	7.5
225.12733	6.8
225.16422	5.2
227.14238	2.8
233.13199	6.5
233.15376	17.9
234.13881	4.3
234.16029	6.7
235.14761	7.5
236.15312	4.4
237.12598	7.0
237.14853	21.4
237.16872	3.5
241.15845	3.5
247.17014	6.6
248.14090	5.2
249.16374	5.7
253.16008	5.8
253.19722	3.3
255.17429	12.1
261.16333	3.9
267.17743	3.4
271.17130	6.7
274.19189	8.9
279.17389	6.1
281.19022	4.3
285.18558	5.6
286.19287	13.3
287.20071	6.6
294.19760	5.0
297.18558	3.7
299.20029	10.8
303.19583	33.0
307.20273	3.1
310.19147	3.5
312.20700	6.1
313.21646	10.0
315.06403	2.8
325.21585	9.3
337.21603	7.2
352.23929	56.6
353.24451	5.6
365.24753	12.4
366.25354	3.3
430.63110	3.0
452.52194	2.9
490.33832	7.9
502.34537	5.1
503.35229	4.9
507.34470	4.2
508.34879	7.6
520.35468	23.3
521.35529	3.9
582.40118	13.4
583.41766	3.6
600.41730	22.4
601.42004	8.2
628.54468	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	600.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74559	2.6
53.03948	7.8
53.27644	2.8
55.01875	3.4
55.05507	20.1
57.07076	12.1
59.05004	7.3
65.03944	3.2
67.05505	33.6
69.01630	26.8
69.03436	13.1
69.07055	21.5
79.05492	39.1
81.07046	46.1
81.07462	3.9
83.04988	17.1
83.08624	10.2
85.06551	9.3
89.06019	6.4
91.05477	66.9
92.05803	5.4
93.07043	78.6
93.10559	3.0
95.04982	17.1
95.08597	48.5
97.06535	7.6
103.05476	5.9
105.04497	4.6
105.07029	94.1
106.07329	6.8
107.04948	4.3
107.08597	59.8
109.06517	23.7
109.10152	19.4
111.08083	9.1
115.05441	5.6
117.07024	28.6
119.04967	3.5
119.08578	87.4
120.08983	3.8
121.06482	16.8
121.10146	55.4
122.10500	3.7
123.08063	38.3
123.11710	9.6
125.06026	3.2
128.06194	15.4
129.06992	26.0
130.07819	7.0
131.08572	48.0
133.06523	10.5
133.08600	7.0
133.10123	48.7
134.10530	3.3
135.08044	26.8
135.11667	16.8
137.06023	3.5
137.09592	23.8
139.07623	4.2
141.06992	10.0
142.07776	27.1
143.08549	56.1
144.09332	12.9
145.06514	6.0
145.10123	76.6
146.10548	6.8
147.08049	39.1
147.11647	17.6
149.09628	21.4
151.07538	21.3
153.06958	6.4
153.09116	4.2
154.07722	3.8
155.08534	20.8
156.09387	20.6
157.10129	74.5
158.10828	11.0
159.08043	15.8
159.11687	45.4
160.08849	5.4
161.09630	19.4
161.13272	7.4
163.11172	17.9
165.06990	8.0
165.09111	52.3
166.07735	3.2
166.09474	3.1
167.08559	10.3
167.10640	15.6
168.09389	8.3
169.10127	30.4
170.10867	10.2
171.11688	38.8
172.12315	6.2
173.09578	17.2
173.13222	21.2
175.11162	27.0
175.14876	4.4
177.09215	5.1
177.12733	5.8
179.08545	11.0
179.10622	4.2
180.09296	8.4
181.10115	17.1
181.12242	10.6
182.10939	9.8
183.11678	25.9
184.12340	8.9
185.09604	3.8
185.13269	22.9
186.10312	3.5
186.13785	3.8
187.11194	10.3
187.14882	5.3
189.12782	12.9
190.13560	10.3
191.14330	7.0
192.09410	4.5
193.10191	13.7
193.12242	10.6
195.11699	24.6
196.12413	8.6
197.09656	6.3
197.13258	25.3
198.13786	3.6
199.11263	10.1
199.14879	8.5
201.12823	6.1
203.14308	31.3
205.10159	3.7
205.12256	3.4
206.10843	5.2
207.11757	13.8
207.13824	16.9
208.12509	5.2
208.14525	9.5
209.13316	21.8
211.11131	5.3
211.14847	13.9
212.11940	5.5
213.12753	8.9
213.16415	5.9
215.10547	4.3
215.14301	6.6
219.11758	6.3
219.13844	9.1
221.13313	11.6
221.15334	100.0
222.13908	4.9
222.15802	8.2
223.10986	3.6
223.14842	11.3
224.15398	3.4
225.12837	7.2
225.16428	8.1
227.14275	6.3
229.15875	4.3
231.11746	4.7
232.12488	4.4
233.13332	7.2
233.15395	19.4
234.16051	10.3
235.14876	9.9
236.11964	3.0
236.15021	4.9
237.12645	8.5
237.14694	36.2
243.17458	4.7
245.13208	5.8
247.14836	5.0
247.17024	13.2
248.14143	11.7
249.16463	6.5
251.18184	3.7
253.15807	5.0
255.17445	19.7
258.14038	3.2
259.17117	3.6
261.16418	11.5
263.17975	6.1
265.15979	4.0
267.17328	3.4
268.18320	3.9
269.19113	4.6
270.19766	8.5
271.16910	9.2
271.20105	3.2
273.18588	3.5
274.19189	14.3
275.17572	3.9
276.15073	3.0
279.17453	6.0
281.18985	7.6
282.19669	3.9
285.18466	6.2
286.19308	15.8
287.20013	9.7
294.19824	6.3
295.20529	3.5
297.18628	4.2
298.78610	3.3
299.20108	11.7
303.19510	55.8
310.19052	4.6
312.20779	5.8
313.21616	9.9
325.21536	18.5
337.21689	8.1
352.23944	90.3
353.24326	4.4
365.24789	21.6
366.25626	4.2
377.24673	5.8
379.25885	3.4
383.25903	5.7
420.30139	4.3
487.31918	6.3
502.34335	10.5
503.34811	8.5
505.32916	7.7
507.34631	10.1
508.35043	5.5
520.35492	35.7
521.35791	3.4
582.41541	3.7
583.41315	5.5
585.39197	5.6
600.41602	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.7
55.01869	6.9
55.05513	20.4
57.07076	13.4
59.04991	4.6
67.05510	31.2
69.03435	18.8
69.07062	16.9
70.06603	5.4
71.05012	3.5
72.44434	3.2
79.05493	34.7
81.07056	50.8
83.04982	13.9
85.06548	9.0
89.06030	9.6
91.05475	62.6
93.07040	70.3
94.07381	4.1
95.04981	20.7
95.08612	37.8
97.06541	9.1
97.10136	3.3
98.23418	5.4
103.21239	3.2
105.07030	100.0
107.04948	5.7
107.08595	66.8
109.06530	17.1
109.10151	26.2
111.08088	9.8
113.09711	4.2
115.05402	5.3
116.07088	9.2
117.07037	27.8
117.25665	2.9
119.08582	82.3
120.08873	7.0
121.06513	18.1
121.10137	61.7
122.07191	3.3
122.10464	8.4
123.08072	31.7
123.11703	3.5
125.05959	3.8
125.09618	8.7
128.06215	11.8
129.06995	23.2
130.07767	9.1
131.08580	39.6
133.06531	7.7
133.08597	3.9
133.10129	54.6
134.10478	4.2
135.08061	22.8
135.11700	15.5
137.09608	17.7
137.52864	3.2
139.11168	3.4
141.07013	9.1
142.07774	22.4
143.08575	52.0
144.09300	10.6
145.06439	4.9
145.10123	61.7
146.10454	6.8
147.08043	36.2
147.11688	20.2
149.09590	17.0
151.07510	18.7
153.06970	3.4
154.07710	3.9
155.08560	17.6
156.09361	16.8
157.10123	73.7
158.10718	7.4
159.08061	18.7
159.11671	38.1
160.08757	5.0
160.12143	3.4
161.09596	23.3
161.13237	11.4
163.11160	22.1
165.06987	5.7
165.09111	52.0
166.07562	3.6
166.09543	3.4
167.08575	12.4
167.10680	15.7
168.09373	7.0
169.10147	25.5
170.10838	9.4
171.08034	3.4
171.11671	36.6
172.12343	9.5
173.09659	14.5
173.13229	23.9
175.11197	25.8
175.14806	9.0
177.12784	6.8
179.08517	10.8
179.10689	5.2
180.09267	4.4
181.10077	14.4
181.12283	7.6
182.10905	9.7
183.11690	25.2
184.12384	6.0
185.09630	10.1
185.13260	21.5
186.13940	4.7
187.11186	11.4
187.14818	6.3
189.12755	15.0
190.13504	12.8
191.10681	6.3
191.14272	8.8
192.09344	3.8
193.10133	13.5
193.12221	11.4
194.10840	9.6
195.11702	24.4
196.12419	8.5
197.09576	5.5
197.13281	26.8
198.13873	6.0
199.11195	10.9
199.14828	9.7
201.12741	6.9
203.14284	27.8
205.10156	3.9
206.11003	6.5
206.13231	3.4
207.11688	13.7
207.13824	14.0
208.12370	7.7
208.14449	6.3
209.13245	19.8
209.15056	4.4
210.10249	5.3
210.13969	7.2
211.11156	5.6
211.14816	12.4
212.12041	4.9
212.15407	3.2
213.12804	10.8
213.16330	8.4
215.10707	3.8
215.14337	4.1
217.12225	3.6
219.11662	5.4
219.13742	7.7
220.12415	6.4
221.13274	14.9
221.15398	76.6
222.15782	4.4
223.11253	5.5
223.14912	16.2
225.12759	6.4
225.16382	11.5
227.14232	5.9
229.12250	4.5
229.15837	4.7
229.75912	4.8
233.13220	9.1
233.15424	23.2
234.13893	4.9
234.16115	12.6
235.14810	10.2
235.16957	3.8
236.15021	11.4
237.12679	5.9
237.14607	28.5
239.14259	7.7
239.18024	3.3
241.15779	5.0
243.13889	3.2
244.12610	3.7
245.13155	3.9
246.14081	4.5
247.14874	5.7
247.17018	9.5
248.14093	9.5
249.16550	3.9
251.14284	4.9
253.15837	8.4
255.17491	17.8
257.18884	4.2
261.16351	7.6
267.17322	4.2
268.18130	4.9
268.62335	3.3
271.16928	8.9
273.18469	3.9
274.19287	9.8
275.20105	4.6
279.17535	3.9
281.18878	9.5
285.18533	6.3
286.19263	12.5
287.20090	10.9
291.17520	3.6
291.21005	3.1
295.20505	7.1
297.18478	7.0
298.18988	3.3
299.20129	8.9
303.19504	44.7
313.21548	12.5
325.21524	11.5
337.21655	8.7
352.23969	76.2
353.24438	7.0
365.24765	17.3
377.24603	4.0
487.31772	4.6
502.34305	6.4
503.35089	10.0
505.33072	6.8
507.34766	8.0
508.35040	4.4
520.35352	33.3
521.35266	6.4
574.63068	3.6
582.40588	10.4
600.42035	22.9
601.42255	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	600.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28502	3.0
53.03940	7.3
55.01867	3.2
55.05507	20.4
57.03446	5.1
57.07085	13.9
57.48723	2.7
59.04982	3.0
59.77937	2.9
65.03922	5.4
67.05507	39.6
69.00155	22.5
69.03423	12.3
69.07068	23.7
71.05006	5.3
77.03919	3.6
79.05494	44.1
81.03415	7.2
81.06568	5.3
81.07052	52.9
82.07378	4.2
83.04988	12.9
83.08616	9.6
83.16477	2.6
85.06538	11.0
89.06039	4.0
91.05481	71.1
92.05801	6.6
93.07041	76.5
94.07372	7.1
95.04966	24.4
95.08611	43.7
95.22639	2.7
97.06529	15.2
103.05446	5.6
105.05524	3.1
105.07027	100.0
106.07333	5.1
107.04971	7.2
107.08596	55.6
108.08942	4.2
109.06513	19.3
109.10156	28.5
110.10490	3.3
111.08067	5.5
115.05434	7.1
117.07026	21.2
118.07376	2.7
119.08576	81.0
119.09432	4.3
120.08871	3.2
121.06497	19.5
121.10143	53.5
122.10495	7.2
123.08066	25.2
123.11720	11.6
125.05981	4.1
125.09647	6.0
128.06227	14.9
129.07025	21.9
130.07761	7.8
131.08580	46.8
132.08899	5.2
133.06520	8.8
133.08604	5.2
133.10135	47.9
134.10457	5.3
135.08049	24.7
135.11707	17.3
136.11948	4.3
137.05949	3.8
137.09610	7.9
139.11168	3.3
141.07011	8.2
142.07793	28.4
143.08566	45.8
144.09348	13.8
145.06474	8.4
145.10143	51.6
146.10632	4.8
147.08043	32.8
147.11707	20.5
149.09605	17.4
151.07529	19.1
153.06976	2.9
154.07680	4.1
155.08540	19.2
156.09314	16.6
157.10120	64.9
158.07280	4.5
158.10754	9.9
159.08081	18.5
159.11664	32.6
160.08733	6.1
160.12041	4.7
161.09642	18.3
161.13277	8.1
162.10182	3.6
163.11215	13.5
165.06981	4.6
165.09129	30.3
166.07793	4.1
166.09448	3.3
167.08594	7.0
167.10725	12.8
168.09319	8.0
169.10097	25.2
169.80139	2.7
170.10858	8.9
171.08064	3.4
171.11674	31.6
172.12268	8.5
173.09624	13.9
173.13249	18.8
174.10233	3.1
174.13615	3.2
175.11150	21.0
175.14839	8.2
177.01297	2.6
177.09134	4.1
177.12738	5.1
178.07808	4.8
179.08578	12.2
180.09419	4.5
181.10039	14.7
181.12248	7.1
182.10928	7.4
183.11700	23.0
184.12422	4.9
185.09671	9.3
185.13222	20.7
186.10361	3.3
186.13770	3.6
187.07555	4.8
187.11238	7.7
187.14806	10.0
189.12732	11.4
190.13428	6.6
191.10645	3.9
191.14224	5.7
193.10139	11.9
193.12088	5.8
194.10893	8.3
195.11716	18.9
196.12384	4.3
197.09689	3.4
197.11641	4.2
197.13258	16.9
198.13770	5.3
199.11171	11.6
199.14836	11.5
201.12704	9.7
203.14291	20.4
205.10138	3.6
205.12320	3.2
206.10912	7.0
207.11711	13.3
207.13777	11.4
208.12540	6.7
208.14471	6.1
209.13303	15.3
209.15099	3.1
210.13898	8.2
211.11134	5.7
211.14822	12.7
212.11865	3.3
213.12695	8.5
215.14401	3.8
217.10129	3.6
219.11800	6.3
219.13826	5.3
220.12357	6.6
221.13336	6.6
221.15346	60.8
222.13852	4.9
222.15819	6.5
223.11183	4.5
223.14838	7.5
225.12733	6.8
225.16422	5.2
227.14238	2.8
233.13199	6.5
233.15376	17.9
234.13881	4.3
234.16029	6.7
235.14761	7.5
236.15312	4.4
237.12598	7.0
237.14853	21.4
237.16872	3.5
241.15845	3.5
247.17014	6.6
248.14090	5.2
249.16374	5.7
253.16008	5.8
253.19722	3.3
255.17429	12.1
261.16333	3.9
267.17743	3.4
271.17130	6.7
274.19189	8.9
279.17389	6.1
281.19022	4.3
285.18558	5.6
286.19287	13.3
287.20071	6.6
294.19760	5.0
297.18558	3.7
299.20029	10.8
303.19583	33.0
307.20273	3.1
310.19147	3.5
312.20700	6.1
313.21646	10.0
315.06403	2.8
325.21585	9.3
337.21603	7.2
352.23929	56.6
353.24451	5.6
365.24753	12.4
366.25354	3.3
430.63110	3.0
452.52194	2.9
490.33832	7.9
502.34537	5.1
503.35229	4.9
507.34470	4.2
508.34879	7.6
520.35468	23.3
521.35529	3.9
582.40118	13.4
583.41766	3.6
600.41730	22.4
601.42004	8.2
628.54468	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	601.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.05516	3.6
57.07075	1.3
57.33500	0.5
59.87487	0.5
67.05511	6.2
69.03425	1.1
69.07070	2.9
71.04992	0.6
71.08621	1.1
71.28651	0.6
79.05089	0.6
79.05489	4.4
80.05833	0.6
81.03420	1.3
81.07056	7.0
83.04982	1.3
83.08612	1.6
83.69518	0.5
85.06577	0.6
89.06034	4.4
90.06363	1.2
91.05482	4.2
93.07044	6.3
93.35655	0.7
94.07370	0.9
95.04950	1.5
95.08603	4.4
97.06506	1.3
105.07039	6.2
107.04913	0.9
107.08596	3.8
109.06512	1.1
109.10181	3.4
111.11771	0.5
115.05524	0.7
117.07007	1.8
119.08588	4.8
120.55031	0.6
121.06602	1.2
121.10141	4.4
122.10510	0.5
123.08073	1.7
123.11740	1.1
128.06235	0.7
129.07024	1.3
130.38252	0.6
131.08572	2.2
133.08615	3.3
133.10147	2.8
134.09047	0.6
135.08022	1.0
135.11699	2.4
137.09604	1.0
143.08559	2.3
145.10114	3.5
147.08083	1.3
147.11661	1.7
149.09619	1.1
151.07585	1.6
155.08585	0.7
157.10106	1.8
159.08118	0.6
159.11723	1.8
161.13287	0.6
163.11221	1.2
165.09132	1.1
167.10706	1.1
167.88992	0.6
169.10104	1.5
171.11714	1.1
173.13275	1.4
175.11153	0.6
175.14798	0.9
177.11253	1.1
179.14307	0.7
181.10030	0.8
185.13330	0.6
187.14876	0.8
195.11530	0.5
197.13219	0.9
201.31030	0.6
203.14311	1.2
221.13390	0.7
221.15366	2.8
223.14723	0.6
225.12611	0.6
233.15434	1.0
234.15788	0.6
236.15021	0.7
249.10965	1.5
275.20175	0.8
283.15546	0.8
301.21457	1.5
305.13626	2.3
319.22366	5.0
375.25070	4.5
377.24753	0.7
432.59561	0.6
574.30524	0.6
583.40753	0.9
601.36981	100.0
602.37311	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	601.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.1
53.03949	5.0
55.01875	11.3
55.05510	23.7
57.03433	13.1
57.07067	7.2
59.04996	2.5
64.81870	1.8
65.03934	4.6
67.05508	42.2
68.05840	3.8
68.26443	1.5
69.03428	4.9
69.07072	16.0
71.04986	4.3
71.08630	54.8
72.22968	1.7
79.05494	49.6
80.05840	3.5
81.03419	18.5
81.07053	40.6
81.65031	1.7
82.07391	3.6
83.01350	7.9
83.04971	16.4
83.08620	12.7
85.02910	3.8
85.06539	5.3
89.06029	4.9
91.05479	62.5
92.05803	6.4
93.07043	53.4
93.07627	3.5
94.07375	7.2
95.04958	18.8
95.08611	26.6
96.05292	1.9
96.08949	3.4
97.06534	10.0
97.10121	3.2
99.08085	44.7
103.05460	6.3
104.61857	1.8
105.03431	2.3
105.04530	2.7
105.07031	49.9
106.07391	8.2
107.04928	11.0
107.08588	36.9
108.08934	4.4
109.06510	11.8
109.10156	19.8
110.10505	7.2
111.04469	2.2
111.08064	3.7
115.05461	8.0
116.06255	2.2
117.07015	39.3
118.07343	2.5
119.08582	67.1
120.08886	8.3
121.06535	15.1
121.09296	3.8
121.10139	39.7
122.10457	11.9
123.08075	17.0
123.11671	4.6
125.05977	2.2
125.09555	2.1
127.22077	1.7
128.06206	10.9
129.07008	20.5
130.07811	3.6
131.08586	30.8
132.08904	7.6
133.06487	5.1
133.10129	24.0
134.10475	6.5
135.08057	12.2
135.11681	18.1
136.12071	4.3
137.09599	6.4
141.07027	12.3
142.07733	6.1
143.08568	27.7
144.08946	6.4
145.06465	6.3
145.10132	39.6
146.10474	11.1
147.08099	10.1
147.11707	10.6
148.08392	2.4
148.12044	3.6
149.09619	6.4
149.13246	2.3
151.11185	36.9
153.12727	3.0
154.07785	2.0
155.08571	8.7
156.09262	4.9
157.10150	23.8
158.10512	5.9
159.08051	6.2
159.11722	15.9
160.08456	3.6
160.12016	5.4
161.09615	8.2
161.13292	3.3
163.07579	2.3
163.11154	26.4
165.07101	2.0
165.09132	5.0
167.08565	3.9
167.10680	9.4
168.10945	2.4
169.10143	22.4
170.10599	4.2
171.07993	2.4
171.11659	9.9
172.12035	4.2
173.09598	5.6
173.13281	10.3
174.09920	1.8
174.13605	6.1
175.11198	2.7
175.14815	5.2
177.09050	2.8
177.12738	1.9
181.10115	5.7
181.12234	7.2
182.10693	2.7
183.11700	7.0
184.12038	2.6
185.09590	3.0
185.13313	19.1
186.13637	2.2
187.07530	2.0
187.11197	20.3
187.14847	3.8
189.12764	3.8
191.10713	3.4
191.14291	3.0
193.09970	1.8
195.11684	7.7
196.12120	2.5
197.13264	7.8
198.13593	2.5
199.11110	2.9
199.14865	8.9
200.15326	3.1
201.12727	5.0
202.13205	2.7
203.14375	13.2
208.12180	3.3
209.11674	7.9
209.13376	4.3
210.13612	2.7
211.14799	5.1
212.15300	3.8
213.16298	1.8
215.14366	2.8
217.15945	14.8
221.15358	5.5
223.14815	2.9
227.12712	3.2
233.15474	3.3
235.16925	6.8
239.18066	2.4
260.32172	2.0
261.14914	2.8
264.90842	1.9
265.19388	2.1
275.20267	2.3
283.15408	100.0
283.20578	7.6
284.15823	3.4
299.76749	1.9
301.21600	5.1
334.63589	1.8
340.29346	4.2
375.25226	7.8
446.87201	2.3
490.33841	3.4
491.34192	6.6
583.36121	13.3
583.40356	10.8
601.35522	11.0
601.42511	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	601.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
54.30899	0.7
55.01869	1.0
55.05513	3.9
55.94689	0.6
57.03441	0.8
57.07061	2.1
67.05505	7.6
69.03426	1.0
69.07065	3.2
69.65020	2.2
71.04971	0.7
71.08629	1.4
79.05486	4.6
81.03392	1.2
81.07057	10.1
83.04962	1.3
83.08613	2.3
86.93226	0.7
89.06033	6.4
90.06354	0.7
91.05479	5.3
93.07045	8.1
95.04949	2.1
95.08610	7.2
96.08907	0.7
97.06519	1.6
97.10168	0.8
105.07040	6.0
107.08572	4.6
108.08907	0.8
109.06520	2.0
109.10166	3.6
113.93565	0.7
117.06997	2.6
119.08579	6.0
120.08950	0.7
121.06491	1.2
121.10126	4.2
122.10442	1.2
123.08050	2.3
123.11654	1.4
125.09624	0.7
128.06226	0.8
131.08598	3.3
133.08603	4.5
133.10164	3.3
134.08971	1.1
135.08041	1.4
135.11658	3.1
137.09613	1.7
141.07024	0.8
142.07709	1.0
143.08530	2.1
145.10141	4.3
146.10555	1.1
147.08070	1.3
147.11678	1.7
149.13229	0.9
151.07559	1.8
155.08543	1.2
157.10121	3.8
159.11699	1.6
161.09615	1.3
161.13231	0.9
163.11221	1.7
165.09125	2.2
167.10791	1.1
169.10124	1.3
171.11678	1.9
173.13228	1.2
175.14850	1.0
177.11215	1.5
177.12643	0.7
181.10222	0.6
181.12257	0.9
183.11713	1.4
185.13252	1.6
187.14807	0.8
195.11606	1.0
197.13303	1.0
203.14288	1.2
207.13686	0.9
209.13226	1.7
213.12936	0.8
217.15678	0.7
221.13490	0.9
221.15382	4.8
222.15686	1.1
228.91209	0.6
233.15413	1.0
234.15929	0.9
235.14687	0.9
236.15002	1.1
249.10953	1.8
265.25204	1.5
266.25662	1.3
273.18555	0.8
283.15378	1.2
287.19839	0.7
301.21539	1.9
305.13666	2.5
319.22455	4.2
340.29382	1.3
375.25034	3.1
481.31760	0.9
565.39661	0.7
583.41199	1.5
601.36945	100.0
602.37140	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	601.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.4
55.01856	2.6
55.05515	12.0
55.99306	1.6
57.03428	2.5
57.07080	13.0
58.37770	1.8
59.05000	4.3
61.41484	1.4
65.03937	3.5
65.76826	1.7
67.05501	26.5
68.05847	2.2
69.03430	10.4
69.07067	11.6
71.08639	1.8
75.06891	1.8
79.05500	20.6
81.03426	2.2
81.07053	29.8
83.04982	8.0
83.08613	6.8
85.06530	6.8
91.05479	33.3
93.07049	53.9
95.04970	10.8
95.08608	34.3
97.06535	8.3
103.05437	1.9
105.04529	1.7
105.07033	52.3
106.07340	3.1
106.23201	1.8
107.05019	3.0
107.08596	26.0
107.60812	1.8
108.08905	2.3
109.06517	14.7
109.10162	16.4
111.08083	2.4
111.11651	1.6
115.05477	2.4
116.06269	2.5
117.07009	15.5
119.08589	59.3
120.08927	7.0
121.06523	7.7
121.10154	29.1
122.10466	3.6
123.08071	20.8
123.11712	2.6
125.06005	7.8
128.06250	5.9
129.07040	9.7
129.42184	1.6
130.07782	3.5
131.08571	27.3
132.08907	1.8
132.98274	1.7
133.06494	4.8
133.10136	35.2
133.11075	3.4
134.10454	3.7
135.08060	17.7
135.11707	9.4
136.08385	1.8
137.09607	18.4
139.07555	2.0
141.07066	4.8
142.07788	9.4
143.08592	20.4
144.09279	4.0
145.10126	45.4
146.10480	6.2
147.08060	34.3
147.11702	9.0
148.08391	3.9
149.09647	8.2
149.13232	1.9
151.07536	20.3
154.07843	1.9
155.08540	11.4
156.09370	8.7
157.10147	26.9
158.10640	5.5
159.08090	3.4
159.11728	22.0
160.08762	2.0
161.09650	6.7
161.13313	9.3
163.11192	11.7
163.52727	1.6
165.07045	3.8
165.07643	3.2
165.09117	66.4
166.09451	6.2
167.08583	2.4
168.09306	2.5
169.10165	12.1
170.10803	3.8
171.11673	18.4
172.12117	3.0
173.09621	3.9
173.13293	10.5
175.11179	6.0
175.14853	5.5
176.11592	2.9
179.08565	4.1
181.10100	7.0
181.12242	10.1
182.10762	3.4
183.11708	12.9
184.12212	2.4
185.09499	1.9
185.13239	9.4
185.47841	1.7
186.13736	2.0
187.11151	2.4
187.14780	9.0
189.12790	7.5
190.13223	2.2
191.10703	2.4
191.14253	3.7
193.10130	3.3
193.12250	4.1
194.10904	4.6
195.11661	9.8
196.12399	3.8
196.44281	1.7
197.09650	2.0
197.13274	10.1
199.11043	4.2
199.14857	2.4
200.11566	2.0
201.12833	3.2
203.14310	22.4
204.14784	2.4
206.10844	2.3
207.11723	6.6
207.13809	6.8
208.12454	3.8
209.09711	2.1
209.13264	8.3
209.15129	2.2
211.14822	5.6
213.12726	3.2
213.16441	4.2
216.14754	1.6
217.15706	2.2
219.13817	3.1
221.13394	5.0
221.15356	100.0
222.13898	2.4
222.15654	9.3
223.11127	2.3
223.14856	6.0
225.16362	3.4
227.14304	2.8
227.17969	2.6
229.36862	3.2
233.13263	2.3
234.13950	2.6
234.16167	2.9
235.14691	4.1
235.16850	2.1
237.16411	3.3
247.16960	5.2
248.17371	2.8
249.16133	2.5
271.16922	2.5
273.18463	2.1
285.18158	2.4
286.19174	3.4
287.19955	7.9
299.20105	4.2
300.20728	7.3
301.21555	4.7
313.21503	3.3
314.21799	2.2
324.20599	2.2
325.21548	2.6
326.22195	2.2
341.24344	3.5
352.23932	5.3
353.24210	3.5
354.25320	1.9
367.26334	7.4
375.26950	2.5
402.74207	1.9
420.29568	2.0
421.30835	2.5
428.28723	3.0
440.29059	2.3
441.29428	7.7
459.95377	2.1
491.35065	8.2
509.35941	2.9
521.35699	5.0
583.41302	9.1
584.41901	2.2
601.42419	29.3
602.42834	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.7
53.18534	3.3
55.01886	5.3
55.05518	35.5
57.03442	9.2
57.07081	30.7
59.05004	5.3
65.03936	4.5
67.05503	72.0
68.05804	4.6
69.03434	6.9
69.07066	36.2
70.32349	3.0
71.04998	3.7
71.08633	13.9
73.25426	3.3
79.05495	41.6
80.05878	5.7
81.03420	11.1
81.07065	71.9
83.04986	13.7
83.08620	20.8
85.02944	3.4
85.06556	6.9
85.10171	6.9
89.06025	4.4
91.05477	54.4
92.05791	3.8
93.07054	66.1
94.07439	4.0
95.04974	17.9
95.08614	59.9
97.06513	10.1
97.10176	13.1
98.22599	9.4
103.05475	5.1
105.07039	56.1
106.07317	5.4
107.04967	15.5
107.08589	33.5
108.08916	4.7
109.06524	16.5
109.10165	31.0
111.04480	6.2
111.08069	7.5
111.11730	4.1
117.07038	17.5
119.08592	63.0
119.09990	3.0
120.08897	4.5
121.06502	10.8
121.10162	34.4
123.08084	19.5
123.11731	9.0
125.05995	6.5
125.09680	4.9
128.06219	6.5
129.07030	8.4
131.08589	29.2
133.06497	4.8
133.10138	32.3
134.10417	6.5
135.08072	17.5
135.11700	15.4
137.05988	5.2
137.09631	10.5
142.07797	11.7
143.08604	17.0
145.06490	4.9
145.10129	37.3
147.08054	28.6
147.11707	11.9
149.09621	12.0
151.07565	12.1
151.11163	4.8
155.08574	8.7
156.09329	6.0
157.10138	19.9
158.10614	4.1
159.08138	5.4
159.11676	28.2
161.09677	9.0
161.13287	8.8
163.11183	15.4
165.09142	38.8
165.12787	3.5
167.08566	4.6
168.09402	5.8
169.10159	13.3
170.10866	5.0
171.11711	11.0
173.09612	5.9
173.13280	8.2
175.11197	10.4
175.14746	7.2
179.08588	4.0
181.10188	6.1
181.12207	9.9
182.10846	6.1
183.11676	6.6
185.13292	11.5
187.14894	8.4
189.12816	7.2
191.10544	3.4
193.12361	4.6
195.11667	6.5
197.13246	10.9
201.16365	7.3
203.14371	12.3
207.11771	6.9
207.13722	8.6
209.13326	8.5
211.14909	3.7
212.02168	3.4
213.16255	3.6
221.13379	5.9
221.15373	100.0
222.15750	12.4
233.15349	5.3
271.17184	4.8
273.18484	6.8
275.19678	4.1
287.20059	7.3
289.17938	10.5
293.21310	17.4
299.19882	4.3
300.20709	4.8
301.21698	6.4
313.27368	12.6
339.29126	10.9
353.24057	4.8
367.26178	6.2
491.35147	7.3
503.37210	5.6
509.36407	4.6
521.36310	6.7
541.23529	6.0
566.41083	4.2
583.41742	16.1
601.25342	9.0
601.43756	53.6
601.52234	11.6
602.42975	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	602.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
53.39765	1.3
54.13158	1.1
55.01875	4.1
55.05512	15.6
57.03441	15.0
57.07077	33.6
59.05000	3.5
61.49841	1.0
65.03933	1.6
67.05507	60.6
68.99441	11.3
69.03427	4.3
69.07061	15.2
71.04992	4.8
71.08636	21.1
79.05490	17.0
81.03424	9.1
81.07057	30.4
83.04991	4.0
83.08625	15.6
85.02915	4.3
85.06535	3.0
85.10184	11.7
87.04476	2.1
89.11780	1.1
91.05487	14.3
93.07041	12.8
93.92540	1.1
95.04974	7.5
95.08610	23.8
97.02881	2.5
97.06546	4.0
97.10174	5.3
105.04501	1.4
105.07024	6.6
107.04962	9.3
107.08617	6.1
109.06511	6.7
109.10162	42.2
110.10484	1.4
111.04475	2.0
111.08089	2.5
113.06020	1.4
117.06997	7.2
119.08603	8.1
121.06498	7.6
121.10156	5.3
123.04414	2.1
123.08085	1.6
123.11691	4.6
123.12493	1.2
131.08572	5.4
133.10130	4.9
135.08040	2.3
135.11699	3.4
137.09618	2.4
143.08563	2.2
145.10132	5.4
149.09579	2.2
149.13319	2.7
155.10767	2.4
157.10168	2.0
159.11679	5.3
161.09660	2.5
169.10162	2.9
173.11757	13.8
177.12737	2.0
179.10669	2.1
181.44551	1.4
187.11185	4.0
193.12239	1.2
205.12308	3.5
221.22678	1.5
223.13287	18.1
229.14349	56.4
230.14755	2.2
237.14813	2.3
237.22176	1.5
239.23882	5.9
273.18527	2.9
279.15979	3.4
291.19543	10.2
292.19894	2.2
297.16959	31.1
298.17267	2.8
313.27362	100.0
314.27771	4.8
338.77667	1.2
453.10593	1.2
467.37323	29.2
468.37747	1.8
517.38947	2.9
520.48810	1.2
533.07166	1.2
535.39954	14.9
536.40698	2.2
567.42212	2.1
602.44965	6.3
603.45978	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	603.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.0
56.16511	0.8
56.96569	12.8
57.90654	0.9
61.02901	1.0
69.03431	18.9
71.28498	0.7
75.91147	0.8
81.03427	14.0
81.91331	0.7
83.04974	3.0
84.96049	4.3
85.02912	9.4
86.03246	1.2
86.87064	0.8
95.04968	2.1
97.02898	10.8
98.03220	1.2
98.97590	50.5
99.04463	7.6
101.00910	1.1
104.06116	0.8
109.02870	1.6
110.97581	12.3
111.04448	11.6
112.04787	2.8
112.99154	2.5
113.06035	1.2
115.03922	3.3
116.98629	17.3
119.01935	1.7
123.04422	1.5
124.99153	1.6
127.03910	5.5
128.98627	12.3
129.02252	1.6
131.00198	1.9
131.01875	2.8
134.99649	4.7
139.00633	1.6
140.98598	1.7
141.02287	2.4
143.00182	4.3
143.01930	1.7
144.98088	1.1
145.03476	0.8
145.04974	3.5
146.99672	4.8
147.03346	1.6
152.98615	1.4
155.01888	2.2
157.01746	5.4
158.99655	21.3
159.03310	16.6
160.00018	0.8
161.01250	4.5
161.02948	2.8
161.06557	1.2
162.99214	1.3
170.99690	4.1
171.03230	1.0
173.02988	1.2
173.06708	1.1
175.02811	3.4
177.00728	18.3
177.04269	6.3
183.03305	1.3
185.06657	3.4
187.02847	1.4
189.00691	3.2
189.04356	0.9
193.04950	0.9
195.01747	1.1
197.06604	4.6
199.08234	1.7
200.02370	1.1
201.00641	4.4
201.04416	10.2
203.07726	1.0
213.04297	2.0
214.95529	1.0
215.05898	2.2
219.01793	38.3
219.05367	2.3
221.05063	3.7
225.04314	2.0
225.07666	1.4
232.96310	1.3
237.02809	48.5
238.03249	1.1
239.07744	0.9
241.07185	2.3
243.05458	5.9
243.08522	4.1
255.03865	2.9
260.04889	1.1
261.06528	1.1
275.09793	1.4
285.06555	0.9
287.09802	10.5
291.07574	1.7
303.07532	67.0
304.07855	2.9
305.10886	4.1
321.08582	61.6
322.08917	2.5
324.04492	1.0
339.05203	100.0
340.05453	4.6
344.10220	2.4
357.06409	0.9
441.12408	2.5
501.04236	1.6
603.15930	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	603.245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49618	1.6
67.05504	10.0
69.03449	1.8
69.29092	12.0
82.23279	1.6
91.05466	1.6
94.06578	10.2
97.06534	4.1
98.23325	3.3
101.62423	1.6
108.08105	2.5
112.87679	1.6
122.06040	28.3
134.09657	1.7
136.07561	19.9
136.08363	1.8
140.07083	7.4
154.08664	4.4
162.09193	2.8
164.07124	3.9
178.08701	3.2
180.10234	6.2
187.08585	3.5
190.08730	5.1
201.06686	2.4
208.09787	2.6
211.08786	2.5
212.09456	2.3
213.10242	8.9
214.10747	1.9
215.08223	6.6
215.11990	2.0
216.09012	2.4
217.09840	5.0
225.06842	1.7
225.10287	2.2
226.11087	1.8
227.08263	2.9
227.11830	7.4
229.09731	2.1
229.13243	2.1
233.09380	2.4
234.10010	3.8
235.10844	6.6
239.08261	3.7
241.06102	7.8
241.09798	7.5
243.07715	2.8
243.11324	2.6
253.09807	5.7
254.10519	3.4
255.11356	15.1
256.11917	2.9
257.09219	2.9
257.12872	13.4
259.07230	6.7
259.09842	4.1
260.07956	3.6
261.08737	9.9
261.12158	1.9
267.07690	7.7
269.09247	9.1
269.12857	2.1
271.10852	3.1
272.11612	2.4
273.12332	11.0
274.13116	4.0
275.13913	18.3
281.09161	17.0
283.10953	2.7
285.08817	5.8
287.10342	8.4
287.13794	3.5
295.07251	3.4
299.10278	23.3
300.10889	3.7
301.11884	21.5
302.12369	1.9
313.08340	4.0
313.11929	3.4
315.09976	1.7
318.16199	2.1
327.09491	2.1
332.14044	1.9
334.11758	2.0
346.15518	2.2
348.13318	2.6
348.17188	3.4
364.16669	2.4
376.16513	8.2
377.14822	2.2
392.16080	3.2
394.17914	12.4
395.15125	3.3
402.14493	5.6
404.16144	6.0
405.14560	4.5
410.17365	2.8
412.18805	6.9
420.15659	13.0
421.15427	4.5
422.17072	49.8
423.16284	7.1
430.14063	3.2
432.15741	2.1
436.18512	2.1
438.16553	13.7
439.17038	2.3
440.18149	48.4
441.18539	6.4
442.19745	9.0
448.15015	40.0
449.15366	4.5
454.20071	3.1
466.16107	100.0
467.16397	9.7
468.17755	29.2
469.17947	2.3
557.23547	2.0
575.25177	3.1
585.23334	31.7
586.23566	7.5
603.24432	92.5
604.24945	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	603.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
62.99330	1.4
67.05508	8.4
69.38995	3.3
69.39382	4.3
79.05540	1.7
85.06595	1.5
91.05477	3.9
93.07050	1.5
94.06568	11.7
95.04995	3.9
108.08116	3.8
108.46939	1.4
113.06006	1.7
115.33927	1.5
122.06032	33.5
122.06876	2.6
132.08118	2.6
134.06018	1.6
136.07573	20.8
140.07045	8.0
154.08659	7.9
156.71991	1.6
162.09131	3.8
164.07117	5.3
175.08615	2.0
178.08714	3.4
180.10150	7.3
183.09198	1.4
185.10793	1.8
187.08693	3.1
190.08719	3.7
201.06581	4.0
202.10799	1.5
208.09727	3.4
211.08630	2.8
212.09497	3.7
213.06439	1.7
213.10205	10.1
214.07402	1.8
214.10870	2.3
215.08163	7.6
216.08966	4.9
217.09776	5.0
225.10246	3.1
227.08276	1.8
227.11757	10.6
228.12231	1.6
229.09982	2.0
229.13489	2.2
231.11107	2.3
234.10001	5.5
235.10739	7.9
237.06621	2.0
239.08171	3.4
240.08748	3.1
241.06091	7.4
241.09714	8.1
242.10439	2.3
243.07541	2.8
243.11394	2.2
245.12962	2.0
253.09793	6.1
254.10460	2.7
255.11327	19.7
257.09299	3.5
257.12808	14.1
259.07217	5.8
259.10748	2.9
260.08078	4.7
261.08670	9.5
261.12442	4.4
267.07660	11.9
269.09247	10.1
269.12863	5.3
271.10800	1.6
272.11533	2.4
273.12289	12.4
274.13242	3.7
275.13922	19.0
281.09235	22.2
282.09741	2.4
283.10571	3.9
285.08804	7.9
287.07483	1.7
287.10172	9.7
295.07199	3.4
299.10239	25.5
300.10916	4.4
301.11789	23.0
302.12488	2.8
303.14645	1.7
313.08377	3.3
313.11755	3.5
320.14041	2.0
334.15689	2.2
338.15018	2.1
348.17331	2.3
350.15164	2.1
360.13583	2.2
364.16946	2.5
366.18365	4.1
376.12674	3.1
376.16702	4.5
376.55545	1.7
377.14359	2.7
378.14502	2.8
390.14264	2.2
392.16168	4.7
394.17706	11.1
396.19595	2.5
402.14679	3.0
404.16296	4.6
405.14627	2.7
410.16888	3.3
412.18454	7.8
420.15720	14.1
421.15619	1.8
422.17078	54.7
423.17276	5.1
430.13904	2.5
438.16452	16.3
440.18164	59.9
441.18607	5.9
442.19727	12.5
448.15024	44.1
449.15662	4.7
453.24472	1.9
454.20056	2.4
466.16101	100.0
467.16370	10.3
468.17654	23.6
469.18002	1.9
509.79584	1.8
575.24963	4.8
585.23407	32.8
586.23712	5.1
603.24524	74.6
604.24445	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	603.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.2
53.03946	4.2
55.01881	5.1
55.05513	24.3
57.03441	3.6
57.07078	38.5
59.04996	1.1
59.86606	0.8
65.03931	2.0
67.05235	2.5
67.05508	42.9
69.03436	8.8
69.07073	34.1
71.05002	2.2
71.08636	26.1
71.09009	1.6
79.05495	24.9
80.05832	1.2
81.03421	4.2
81.07059	36.7
83.04988	4.8
83.08621	18.3
85.06564	1.1
85.09710	1.3
85.10185	10.3
91.05484	18.2
93.07047	19.2
94.07375	0.9
95.04989	6.8
95.08610	32.5
97.02896	13.3
97.06520	4.4
97.10176	14.0
105.07044	13.7
107.04964	8.7
107.08601	13.1
109.06503	4.4
109.10161	16.2
111.08104	2.6
111.11728	1.6
115.05480	1.5
117.07011	7.4
118.79833	0.8
119.04976	1.3
119.08590	12.5
121.06529	3.0
121.10159	5.5
122.82607	0.9
123.04464	1.0
123.08101	3.3
123.11720	3.9
125.09630	7.1
128.06302	1.4
129.07027	3.1
130.07840	1.8
131.08557	6.6
133.06519	2.5
133.10161	6.2
135.08084	3.8
135.11711	3.7
137.09654	2.6
137.13281	1.4
137.32220	0.9
139.07610	1.2
142.07770	1.1
143.08578	2.9
145.06473	0.9
145.10124	5.2
147.08069	5.2
147.11697	3.2
149.09654	1.4
149.13287	3.0
151.11264	1.1
153.09129	1.6
157.10202	2.5
159.08139	1.4
159.11739	3.7
161.09654	3.2
161.13335	1.5
163.11218	2.3
165.09244	1.5
171.11751	2.2
173.13235	1.1
175.11246	1.5
177.12749	2.2
183.11705	1.0
185.13379	0.8
189.11276	1.6
192.25096	0.9
195.13884	1.9
205.12337	2.3
219.87215	0.9
223.13286	20.7
223.15300	1.5
227.12897	1.2
227.17900	0.9
239.23721	3.2
245.19067	2.7
245.60988	0.8
249.15028	1.8
255.17540	1.2
259.54602	0.8
263.20102	1.2
273.18527	13.8
274.18961	1.8
275.20102	1.5
291.19550	100.0
292.19919	4.2
309.20630	0.9
311.25858	0.9
313.27377	4.8
314.27765	1.2
347.22232	3.3
365.23291	1.2
387.86349	1.0
409.59021	1.0
505.38763	1.3
585.44965	1.7
603.46204	63.0
604.46307	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	604.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.7
53.03944	1.8
55.01871	3.9
55.05498	0.9
57.03428	1.4
61.02923	1.6
63.00763	0.6
65.03925	0.7
67.05501	1.5
69.03432	6.9
69.09854	5.0
70.06596	0.7
71.01352	0.9
71.04997	1.1
79.05489	1.7
81.03430	5.4
83.04974	2.6
85.02913	7.6
86.06080	0.6
91.05486	5.4
95.04990	3.6
97.02892	11.7
98.22555	1.3
99.04443	1.5
101.02378	0.9
101.22816	0.6
103.05441	0.9
105.03426	1.1
105.07084	0.8
107.04956	23.9
109.02892	1.9
111.04441	0.8
119.04948	16.2
120.05253	0.9
121.02888	4.0
123.04427	4.4
123.05173	0.7
124.00874	0.6
125.02378	0.9
127.03909	2.5
128.06226	2.3
129.07018	0.8
130.15907	0.9
131.04933	3.5
133.02856	0.9
133.06491	2.3
139.03943	1.2
140.48555	0.6
140.74648	0.7
141.06975	1.5
143.08543	2.4
145.04976	1.6
145.06468	4.7
147.04410	100.0
148.04713	3.6
149.05986	9.1
151.03911	14.9
152.04321	0.8
152.06207	1.2
153.06979	4.4
157.06485	14.0
157.07712	1.0
159.08072	1.1
161.05949	0.7
163.03880	2.0
165.05501	5.7
169.06522	2.8
171.08061	17.3
173.05968	1.3
173.09586	1.2
175.07498	0.8
177.05508	1.6
181.06435	6.9
183.08058	1.4
185.05969	0.8
187.07559	1.5
197.05913	1.6
199.07545	19.9
199.09320	1.4
200.07980	1.1
201.09070	0.8
215.07060	2.7
217.08612	6.6
227.07027	12.2
228.07489	0.8
245.08104	9.2
246.08360	1.0
263.09155	2.7
282.34412	0.8
291.08591	2.2
309.09683	20.8
310.10019	1.7
375.21353	0.7
389.12473	3.1
407.13336	5.2
489.14032	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	14.3
55.05511	31.2
57.03434	17.9
57.07082	18.8
67.05504	54.3
69.07069	23.8
70.43494	6.9
71.04991	4.7
71.08644	13.6
79.05487	50.8
79.05909	3.9
81.03419	17.8
81.07053	69.1
81.07533	4.4
83.01343	9.1
83.04972	15.2
83.08614	25.4
85.06530	5.9
85.10184	7.0
91.05479	81.2
92.05831	4.2
93.07041	58.6
95.04976	13.8
95.08598	42.0
95.09151	2.7
97.06501	13.6
97.10162	6.6
105.07024	48.7
107.04966	13.7
107.08589	31.3
109.06519	11.5
109.10184	16.9
111.04433	4.9
111.08080	3.6
117.07004	27.3
119.08577	44.1
120.08908	2.7
121.06542	4.8
121.10135	20.5
123.08080	7.6
123.11691	5.8
125.09631	6.1
128.06255	4.6
129.05478	5.1
129.06999	12.9
130.86380	2.3
131.08589	23.7
133.10138	35.1
135.08052	4.9
135.11700	17.1
137.09605	4.0
143.03729	2.7
143.08551	11.9
145.10120	26.0
147.08128	3.7
147.11662	14.4
149.09647	8.0
149.13266	3.1
153.12827	2.6
157.10158	10.0
159.11745	7.5
161.09624	4.7
161.13222	5.6
163.11191	29.1
164.11499	3.5
171.11636	14.5
173.09579	2.9
173.13298	6.8
173.65727	2.6
175.14847	3.8
177.12798	3.1
177.16383	4.2
181.12343	6.1
183.11818	3.6
185.13254	7.4
187.14890	4.5
189.12791	4.4
189.16409	6.0
191.10776	3.0
199.14848	4.0
201.16336	3.3
203.17946	24.9
209.11807	7.3
225.79076	3.0
227.12819	4.2
228.88857	2.8
250.63528	2.5
269.22763	18.3
275.20108	17.3
283.15399	100.0
284.15753	7.5
287.23663	14.7
311.25677	5.1
313.27438	18.9
335.25928	3.5
349.23648	3.9
350.24280	2.8
361.27374	26.6
507.40271	3.0
545.25049	4.0
569.38116	6.1
581.59326	3.0
586.45465	4.9
587.46167	4.5
591.69037	3.8
594.57361	3.0
604.46063	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	605.26
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03401	0.6
67.05479	1.6
69.03393	1.9
69.09247	3.7
77.56531	0.5
79.05489	0.6
83.04954	0.5
90.44144	0.5
91.05439	1.8
93.06990	1.4
94.06551	3.3
95.11299	0.5
96.04468	0.5
96.08129	0.8
97.02853	0.7
97.06496	2.2
99.04411	0.9
102.43934	0.4
105.07012	0.8
107.08555	0.7
108.08090	1.7
109.06531	0.6
110.06001	1.8
110.09668	0.9
112.07542	0.6
112.44220	0.5
113.05927	0.5
115.05376	0.4
117.06977	1.5
119.04909	1.3
119.08559	1.8
120.08053	1.3
122.06026	6.8
122.09598	0.5
123.04429	0.5
124.07549	1.2
133.06471	0.6
134.09590	2.1
135.08035	1.3
136.07585	4.0
138.09155	4.7
140.07082	3.1
147.04416	0.8
150.09094	0.9
152.10623	1.3
154.08627	8.8
159.09267	0.6
160.07547	1.0
162.05504	0.8
162.09132	5.3
163.03873	1.4
163.07536	2.3
164.07019	1.6
175.08592	1.8
176.09409	0.6
180.10182	14.7
185.06978	0.5
187.08719	3.9
189.10179	1.7
190.08633	3.9
191.06973	0.7
192.07358	0.6
199.08711	2.7
199.12370	0.5
200.09474	1.0
201.04781	0.7
201.06589	14.0
201.10175	2.1
202.07344	10.1
203.07951	0.8
208.09685	15.8
209.10155	0.8
213.10191	1.8
214.10963	1.7
215.08305	5.6
215.11754	1.7
216.07184	0.5
216.08922	2.1
217.09718	31.8
218.07965	0.8
218.10027	1.6
219.11258	2.5
225.06714	0.6
225.10298	0.6
227.08128	1.7
227.11826	2.6
228.08670	0.8
229.13316	2.2
233.09154	1.9
234.09969	3.1
235.10803	12.7
241.09720	6.2
242.10512	2.2
243.07622	15.9
243.11290	1.4
244.07802	0.8
245.09190	1.5
245.12740	0.7
255.11275	1.4
256.12228	1.1
257.08966	1.0
257.12830	8.4
258.11163	0.8
259.09961	2.0
260.07675	2.2
260.10172	1.0
261.08688	100.0
262.09006	4.6
269.09183	1.5
271.10715	1.3
273.12323	5.0
274.12988	1.1
275.13815	3.0
278.10880	0.6
283.10712	5.5
285.08649	1.1
287.10239	10.6
297.08667	1.0
300.10989	1.8
301.11804	47.4
302.12250	2.8
305.07852	0.5
313.08212	1.5
315.09766	2.1
362.15021	1.2
364.16428	0.7
376.16696	0.7
379.16840	0.8
380.15768	1.1
394.17792	0.7
396.19159	0.6
397.17429	0.7
398.17133	3.9
408.15460	4.1
409.16180	0.6
420.15536	0.6
421.14926	0.7
422.17200	6.6
423.16541	0.7
424.18640	13.7
425.18011	1.7
426.16525	2.0
440.17130	1.0
442.19699	41.3
443.19955	3.8
450.16583	21.2
451.16794	2.2
466.61887	0.5
468.17639	95.8
469.17990	8.9
587.24915	2.3
605.26001	86.6
606.26337	12.6
628.57434	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37225	0.4
55.05503	0.5
69.03415	0.5
69.15828	1.4
69.16237	2.0
70.70829	0.5
71.20978	0.4
81.03372	0.7
97.06512	3.0
98.22594	0.8
106.78029	0.5
109.70216	0.4
112.63695	0.5
136.07561	0.7
140.48076	0.5
147.04402	0.6
159.75659	0.4
169.86467	0.5
173.02374	0.5
184.79317	0.7
187.29790	0.4
212.64575	0.6
217.09688	0.4
225.09981	0.6
257.88171	0.5
259.09695	1.7
260.09970	1.5
261.08737	1.0
275.15417	1.1
277.12054	0.7
285.12393	2.4
288.11374	3.7
289.11990	0.9
290.12756	0.6
292.14194	0.6
301.11768	0.7
302.12848	1.7
303.13614	1.3
304.14319	0.7
305.15170	2.4
317.15225	8.0
318.12299	0.8
322.11859	1.0
332.13840	0.8
332.17532	1.2
336.13458	2.2
347.12589	3.7
348.13361	4.3
348.16916	0.6
349.14044	1.3
350.15024	1.1
360.13379	1.1
361.14142	2.0
362.11182	2.2
362.15250	2.6
363.11844	0.6
363.15833	2.1
364.12329	1.0
364.16513	8.7
365.16760	0.6
376.12711	3.0
376.16608	8.6
377.13272	0.7
378.18134	1.4
390.14407	3.0
391.15216	3.6
392.16211	2.6
394.17612	2.8
396.19223	1.7
404.16074	1.3
406.13638	0.5
407.14877	0.9
422.17084	81.5
423.17459	8.2
424.18808	0.7
435.14182	1.1
442.19797	1.6
450.16830	0.5
468.17645	100.0
469.17957	9.2
605.26007	56.3
606.26312	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	605.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.01871	0.7
55.05503	2.2
57.03427	0.4
57.07076	2.6
67.05501	4.3
69.07064	1.8
71.08633	2.2
71.61238	0.4
79.05493	2.4
81.07050	4.7
83.08630	1.7
85.10190	0.5
91.05478	2.5
93.07053	2.3
95.04944	0.6
95.08602	3.1
97.06548	1.0
97.10144	0.6
105.04543	0.4
105.07024	2.7
107.04970	0.8
107.08575	1.4
109.06562	0.5
109.10166	1.9
117.07027	0.8
119.08582	1.8
121.10165	1.0
123.11729	0.7
131.08571	1.0
133.10159	1.5
135.11673	0.6
145.10091	1.0
147.11658	1.0
149.09613	0.6
156.10963	0.4
159.11717	0.4
163.11206	0.7
171.11751	0.5
173.13226	0.4
177.12767	0.5
186.04330	0.4
189.11261	0.5
227.12794	0.7
257.18997	0.5
275.20090	3.0
293.21191	1.3
313.27417	2.6
315.24002	0.4
337.27255	0.7
349.23706	0.9
374.16455	0.5
379.88116	0.4
388.17957	0.5
398.15817	0.5
399.15656	0.5
400.16882	0.7
401.17792	1.3
402.19592	0.5
412.18015	0.6
413.17828	1.2
414.18475	1.7
415.19177	6.7
415.24271	0.7
416.19769	3.4
417.20679	1.0
427.19275	0.7
428.19943	2.0
429.20789	10.8
430.21478	5.7
431.22308	2.2
441.16251	0.5
442.21533	0.7
443.22678	5.8
444.23630	9.2
445.24268	4.9
446.24292	0.8
448.26093	1.3
456.19232	0.8
457.19540	1.1
457.24127	1.6
458.25620	2.6
459.21365	2.9
459.25790	3.5
460.22076	0.7
470.21005	0.5
471.21902	1.5
472.22522	3.9
473.23535	6.7
474.24350	3.6
476.22198	0.7
485.23438	4.4
486.24042	2.4
487.24933	25.2
488.25827	4.2
489.22928	1.3
501.22916	0.7
503.24380	2.5
504.25061	0.9
513.22815	0.6
517.26300	2.8
518.23560	0.6
531.23938	1.1
532.24219	0.5
545.25482	19.6
546.26050	6.4
573.24493	1.8
574.25940	0.4
587.46625	0.8
588.28668	0.5
590.25195	0.4
605.27557	100.0
606.27826	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	606.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97107	0.2
55.05516	0.2
60.96276	0.1
65.03946	0.5
69.03416	0.5
70.26250	0.4
70.26601	0.2
81.03405	0.3
83.04980	2.1
85.02904	0.7
87.54953	0.2
91.05480	4.6
93.52279	0.2
97.02909	0.3
107.04959	0.2
119.04940	14.2
120.05275	0.4
127.03899	0.3
142.62387	0.2
147.04405	100.0
147.30261	0.2
148.04736	3.0
159.04442	0.2
165.05492	2.3
205.27867	0.2
229.08684	0.4
247.09657	2.3
265.10718	2.8
272.21222	0.2
291.08313	0.2
309.09598	1.0
409.15109	0.4
455.20773	0.2
455.26727	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97107	0.2
55.05516	0.2
60.96276	0.1
65.03946	0.5
69.03416	0.5
70.26250	0.4
70.26601	0.2
81.03405	0.3
83.04980	2.1
85.02904	0.7
87.54953	0.2
91.05480	4.6
93.52279	0.2
97.02909	0.3
107.04959	0.2
119.04940	14.2
120.05275	0.4
127.03899	0.3
142.62387	0.2
147.04405	100.0
147.30261	0.2
148.04736	3.0
159.04442	0.2
165.05492	2.3
205.27867	0.2
229.08684	0.4
247.09657	2.3
265.10718	2.8
272.21222	0.2
291.08313	0.2
309.09598	1.0
409.15109	0.4
455.20773	0.2
455.26727	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.3
55.05509	1.7
57.03430	1.4
59.15086	0.8
69.03432	67.6
69.88931	0.8
70.03767	2.2
71.05003	1.3
71.20482	1.2
79.05492	1.4
81.03422	100.0
81.07077	0.8
82.03754	3.1
83.04993	11.0
85.02911	10.1
85.06573	0.8
91.05489	1.1
95.04977	12.0
97.02907	7.7
98.06036	1.0
99.04463	30.9
100.04784	1.0
101.06021	0.9
105.07030	2.4
107.04959	1.6
109.02862	2.3
109.06532	0.7
111.04458	2.4
113.06025	3.2
115.03972	1.7
119.04949	2.8
121.02876	1.3
121.06522	0.9
123.04437	13.0
123.08099	1.1
127.03902	6.0
131.04955	1.0
131.07065	2.2
133.06512	3.7
135.04453	2.1
145.04977	2.9
147.04433	1.1
149.05994	2.1
151.07538	1.8
161.05997	5.9
177.05408	1.0
179.07048	14.1
179.55914	0.7
195.06543	1.7
197.08104	3.2
207.06531	5.5
225.07562	10.5
243.08647	44.8
244.09019	2.2
246.16809	0.8
253.36296	1.1
261.09763	3.4
323.11206	2.2
341.12283	13.8
359.13275	6.3
373.14871	1.4
405.13730	0.9
525.14886	0.9
561.01221	0.9
607.18182	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.3
55.01874	4.9
55.05518	7.0
57.03432	15.4
59.05001	4.1
61.02932	6.3
65.03927	1.4
67.05505	44.1
68.05854	0.9
69.03439	4.1
69.07073	3.1
71.05006	2.2
71.29697	1.4
73.02925	1.5
74.40273	0.9
79.05065	2.1
79.05495	24.5
80.05023	1.6
81.03439	7.0
81.07056	76.6
82.06579	1.5
82.07390	2.5
83.01350	7.2
83.04986	4.7
83.08632	6.4
83.09060	1.1
85.02891	6.8
85.06552	3.2
87.04463	1.4
91.03934	2.0
91.05483	30.4
93.07048	15.9
95.04980	4.4
95.08617	5.1
97.02887	5.6
97.06535	7.9
97.10171	1.8
98.55659	0.9
99.04462	2.9
99.08093	3.3
102.90871	1.1
105.07033	7.6
107.04958	6.2
107.08591	15.4
109.02895	2.3
109.06537	3.9
109.10153	39.1
111.04441	1.4
111.08089	2.5
115.05434	3.0
117.07024	22.8
119.08583	7.2
121.06525	2.0
121.10149	3.1
123.08074	3.6
124.07593	2.2
125.05920	1.2
125.09589	1.2
127.03929	3.2
127.07545	7.4
131.08580	2.1
133.10136	3.9
135.08054	28.2
135.11699	3.4
137.09613	2.3
139.07574	1.2
145.04980	1.2
145.08630	3.9
145.10081	5.1
147.11731	1.3
152.06026	1.2
152.07053	7.3
153.09113	1.1
155.10696	2.8
163.03833	1.7
163.07562	3.8
163.11166	6.9
166.08667	4.8
167.08995	3.1
168.08997	1.4
173.11752	11.3
181.08571	2.2
181.12227	1.3
186.07649	1.6
191.10538	1.1
199.09596	1.2
201.11226	47.4
202.11562	1.6
209.11635	2.6
213.16374	1.8
217.00665	1.1
227.12883	1.4
229.14346	51.0
230.14680	1.9
231.17480	1.5
231.79916	1.1
255.12274	46.3
256.12610	2.1
283.12244	2.2
283.15399	44.1
284.15900	1.8
297.30298	1.3
391.21014	1.3
409.22198	100.0
409.50101	1.1
410.22675	6.5
588.25146	2.3
607.27301	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	607.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.4
51.57671	0.4
53.03934	0.8
55.01871	1.5
65.03943	0.6
67.04229	0.3
67.05500	2.4
68.05006	0.5
69.00228	3.4
69.03425	0.6
71.02477	0.7
72.08146	1.0
79.05488	2.1
80.05001	1.3
81.03403	0.4
81.05801	0.6
82.06573	1.9
91.05477	4.7
93.05788	1.1
93.07045	7.2
94.06568	10.0
95.04958	1.7
95.07349	8.2
95.08618	0.9
96.04498	1.0
96.08128	12.4
97.06517	1.6
97.08469	0.5
98.06065	0.7
98.23364	0.8
103.05457	1.7
105.05789	0.5
106.06535	1.8
107.07327	1.6
108.04493	0.5
108.08118	11.8
109.08887	1.2
110.06017	1.4
110.09678	23.7
111.10036	0.4
118.06544	1.6
119.04926	1.4
120.08104	23.4
121.06497	1.1
121.08929	1.9
122.06034	11.5
122.09681	2.5
122.46357	0.4
123.06817	2.0
124.03980	0.5
124.07584	3.4
129.07013	0.5
131.07285	0.4
132.08096	0.6
134.06027	1.3
136.06503	0.4
136.07570	11.8
138.09132	100.0
139.09488	2.7
140.07086	0.5
146.05988	1.1
146.09625	1.2
147.04385	1.4
147.05463	0.4
148.07553	2.6
149.07072	0.7
149.08321	0.5
150.05417	0.7
150.09164	1.0
151.12270	0.5
152.07068	0.5
153.10188	0.7
158.05960	0.5
160.07568	2.0
162.05498	3.3
163.08643	0.8
164.07062	27.7
164.10696	1.7
165.07368	0.8
166.08624	11.5
168.06487	0.4
172.07593	0.8
173.07085	0.6
174.09114	4.6
175.08626	0.6
176.07065	0.5
176.10709	0.5
177.06584	2.3
179.08124	2.6
181.09711	11.8
187.08678	0.8
188.07045	4.3
189.06625	1.4
189.10248	1.2
191.08150	6.3
192.10237	0.8
199.08727	1.1
200.07068	1.2
201.06575	2.3
201.10239	0.9
202.08737	5.0
203.04532	0.6
203.08148	9.4
203.11819	0.6
204.06590	4.2
204.08411	0.8
205.06171	0.5
205.09787	0.5
206.08057	0.6
212.09232	0.3
213.06584	0.4
213.10249	1.4
214.10942	0.8
215.08177	1.5
215.11723	1.3
216.06604	3.7
217.09731	6.1
218.08096	0.5
219.11339	0.9
220.09668	0.8
227.08089	1.2
227.11810	0.8
228.08849	0.8
229.06104	4.5
229.13365	0.8
230.08197	2.4
231.07634	2.2
231.11285	0.6
233.09171	1.3
234.09932	0.6
235.10785	1.1
241.09706	1.1
242.10497	0.6
243.07651	2.6
243.11281	1.4
243.15015	0.4
244.05974	1.1
244.09808	0.8
245.09206	9.9
245.12927	1.2
246.07602	1.5
246.09781	0.6
247.10793	1.0
248.09174	1.7
255.11232	0.5
256.12097	0.5
257.09235	1.5
257.12891	1.9
259.07062	0.7
259.10864	2.4
260.10040	0.6
261.08694	8.5
261.12003	0.7
262.07013	3.0
263.10220	10.1
264.10623	0.7
265.11823	0.4
269.09143	1.1
271.07175	2.8
271.10132	0.5
272.09177	1.3
273.08749	0.8
273.12292	1.0
274.13028	0.7
275.13763	2.5
277.08218	1.1
277.11707	0.5
279.09674	2.6
285.08618	1.1
285.11990	0.5
287.07062	0.6
287.10266	8.4
289.08160	1.7
289.11624	0.8
291.09732	3.4
299.13812	0.8
300.11130	0.5
301.11813	14.5
302.12219	0.7
303.09833	1.0
303.13342	0.4
305.07990	0.9
305.11267	22.8
306.11761	0.8
307.12866	3.4
311.79886	0.4
313.08157	1.5
315.09680	1.1
317.14996	0.8
318.15811	0.7
319.12912	1.0
319.16830	0.6
322.15201	0.8
324.13211	0.4
326.14877	0.9
331.09381	0.6
333.10895	1.0
336.17108	0.8
339.16867	0.6
342.14319	0.5
348.17209	0.5
350.14883	0.6
352.12781	0.7
352.16458	0.8
360.16803	0.8
362.15045	0.7
364.16537	0.7
366.18140	3.8
370.13708	0.5
378.18417	1.9
380.15710	0.8
381.18036	0.8
382.17535	0.5
384.19022	0.9
392.16003	0.5
398.16644	1.7
406.17627	2.2
408.14868	0.5
408.19403	1.0
416.17932	1.2
420.19052	2.1
421.19717	0.6
423.15237	0.5
424.13922	2.4
424.19049	1.4
426.20551	11.7
427.20453	1.1
434.16998	1.5
438.20251	3.3
442.15948	9.9
443.16260	0.6
444.21722	6.5
445.21677	0.6
450.16702	1.4
452.18271	21.4
453.18463	1.2
468.17682	1.2
470.19684	4.3
499.24225	0.4
515.22601	0.4
525.25464	0.7
543.26160	1.0
561.23187	3.5
571.25720	2.7
572.25220	0.4
575.16553	1.0
579.24719	0.9
589.26685	20.9
590.27411	2.5
607.19006	1.7
607.28125	4.6
608.27197	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2549
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
55.01874	0.4
55.05502	0.8
56.74011	0.3
57.03430	0.3
57.07074	0.8
67.05503	2.1
69.02470	2.6
69.07072	0.6
71.08635	0.6
79.05486	1.3
81.07052	1.4
82.07396	0.3
83.04946	0.3
83.08637	0.5
85.10175	0.3
87.34225	0.3
91.05487	1.2
93.07059	0.9
95.04976	0.4
95.08614	1.1
97.06520	0.3
97.10172	0.4
105.07043	1.1
107.04928	0.3
107.08606	0.7
109.06536	0.5
109.10151	0.7
117.07045	0.4
119.08579	0.6
121.10181	0.3
129.07091	0.3
131.08604	0.6
133.10178	0.6
134.10486	0.4
143.48920	0.3
145.10187	0.3
147.11780	0.3
169.63565	0.3
208.09998	0.3
223.12436	0.3
275.19968	0.5
276.20508	0.5
309.32047	0.3
312.15018	0.4
313.27341	0.6
314.27783	0.8
338.16623	0.4
352.14630	0.5
373.15021	0.5
375.16116	1.1
376.16965	0.4
377.17496	0.4
387.16422	0.8
388.16730	1.3
389.17487	2.4
390.18283	1.6
391.19214	1.4
401.17743	1.1
402.14090	0.4
402.18628	1.1
403.15121	0.7
403.19452	4.4
404.19830	2.5
405.20837	3.4
406.21268	0.7
415.19617	0.6
416.16187	0.9
416.20728	0.5
417.16214	4.5
417.21249	2.0
418.16943	1.5
418.22339	0.7
419.22513	6.6
420.22977	1.6
430.17789	1.0
431.18323	7.7
432.18945	3.7
433.19907	4.2
435.22058	0.6
443.18839	0.4
444.19275	0.6
445.20248	5.8
446.20944	8.6
447.21716	9.4
448.22650	1.6
459.17493	0.9
459.22104	1.6
460.18045	0.5
460.23477	0.6
461.19659	1.9
462.24533	0.8
463.25500	0.6
473.18817	0.6
473.23795	1.0
474.20377	5.3
475.20966	5.1
476.21603	0.8
477.23068	0.5
478.23517	0.7
487.21457	1.7
488.22034	0.5
490.23550	0.6
491.19870	2.8
501.22818	0.9
503.20108	0.4
504.21796	0.3
505.22336	1.0
519.24084	15.7
520.24487	2.5
532.21405	0.5
547.23334	11.3
548.23700	2.1
551.26874	0.5
579.26093	5.4
580.26398	0.9
589.23932	0.4
589.48230	0.3
607.25458	100.0
608.25806	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	607.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	1.8
55.06275	1.1
57.07076	1.4
67.05502	2.9
69.03439	1.2
69.07061	1.3
74.14929	1.1
81.07050	2.8
91.05481	2.8
93.07054	2.8
95.08613	2.2
105.07092	1.4
107.08592	2.7
107.23199	1.0
109.10158	2.0
119.08587	1.3
121.10163	1.1
131.08591	1.6
133.10123	8.1
137.09659	4.5
149.13307	1.3
191.04289	1.2
191.14360	3.5
215.71886	1.3
343.08310	1.2
344.63882	1.3
357.67804	1.3
401.17780	1.6
402.18387	2.3
403.19568	2.9
404.20090	3.3
416.20206	2.7
417.20786	3.6
418.21832	1.4
419.22452	2.4
431.22617	7.3
432.22903	1.7
433.24042	2.6
445.19986	2.6
446.25061	2.6
447.21747	2.2
458.25107	1.4
459.21909	3.4
460.22678	2.0
461.23633	1.6
462.81821	1.1
463.21753	1.5
473.19464	1.2
474.24524	1.6
475.20892	15.1
477.23404	1.2
478.23685	2.3
487.21115	7.7
501.22845	5.8
502.23477	7.8
503.24118	1.3
534.22296	1.5
544.65308	1.3
547.23450	25.2
548.24207	7.7
607.25482	100.0
608.25787	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	607.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
53.08218	0.2
53.58934	0.1
55.01875	0.4
55.37059	0.2
61.02923	0.4
65.03928	0.3
67.05508	1.3
69.03420	0.4
69.07071	0.4
69.16190	0.2
69.16405	0.7
69.16823	0.7
69.18548	0.2
71.02470	0.3
73.02922	0.2
79.05502	1.7
80.05019	1.2
81.03410	0.8
81.05798	0.8
81.07051	0.4
82.06583	1.7
83.04984	0.3
85.02911	0.4
91.05490	2.6
93.05792	0.5
93.07048	4.8
94.06574	7.3
95.04968	1.0
95.07358	7.3
95.08613	0.8
96.04502	0.4
96.08131	11.0
97.02892	0.6
97.06528	1.5
97.08497	0.3
98.06056	0.3
99.04469	0.4
103.05426	0.9
105.04523	0.4
105.05766	0.3
105.07011	0.2
106.06546	1.6
107.07347	2.6
108.08120	8.8
109.02891	0.2
109.08953	1.2
110.06081	0.2
110.09686	22.7
111.10018	0.5
118.06535	0.5
119.04950	0.5
119.08607	0.2
120.08109	19.9
121.06509	0.7
121.08960	1.7
122.06038	2.5
122.09671	5.2
123.06839	1.1
127.03948	0.4
129.07031	0.3
131.06346	0.2
131.07320	1.6
134.09660	0.4
135.04341	0.2
136.07596	1.9
138.09142	100.0
139.09488	2.6
140.07054	0.5
145.10120	0.3
146.09673	1.9
147.04396	0.7
148.07605	0.3
149.07179	0.3
149.87120	0.2
159.06761	0.2
160.07605	0.4
163.03958	0.4
164.07060	3.6
174.09149	6.3
175.09612	0.3
176.07100	0.2
177.06651	1.0
178.08664	0.2
181.09723	4.1
182.08310	0.2
188.07040	0.7
191.08180	3.2
192.08508	0.2
192.10170	2.2
201.06641	0.3
202.07309	1.0
202.08957	1.6
203.08144	1.0
204.06639	0.4
209.11838	0.2
216.10307	0.2
217.09746	2.1
219.11342	0.4
220.09717	0.2
227.12550	0.2
228.08910	0.2
229.06197	0.4
230.08174	1.8
233.09210	0.6
235.10791	0.3
243.07692	0.3
244.09805	0.4
245.09207	1.0
247.10768	0.2
248.09245	1.0
257.09195	0.6
259.10669	0.7
261.08701	13.4
262.09161	0.6
263.10327	1.2
265.11838	0.3
269.09348	0.2
271.07217	0.3
272.09155	1.2
283.15137	0.8
285.08752	0.7
287.10208	2.2
289.11795	0.3
290.10156	0.3
291.09586	0.2
301.11856	0.4
302.55179	0.2
305.07910	0.2
305.11398	0.5
307.12808	1.4
313.08066	0.6
315.09906	0.3
333.10721	0.6
340.12869	0.4
361.14182	0.2
380.33450	0.2
398.17154	3.0
406.17593	0.8
424.18640	0.4
426.20386	1.1
434.16846	0.3
445.20926	0.2
450.16345	0.4
452.18140	7.2
453.18283	0.6
468.17856	0.9
470.19208	7.6
470.25967	0.4
471.19638	0.4
494.11740	0.2
543.26251	0.2
571.25806	0.9
572.37415	0.2
575.14789	0.4
589.26617	9.5
590.27026	1.2
607.19611	0.2
607.27570	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.01878	2.2
57.03436	1.0
65.03958	1.1
67.05501	4.4
69.03449	1.6
69.07074	1.6
69.20287	6.9
70.06596	1.2
72.08163	2.2
73.05089	1.0
79.05487	1.9
81.07043	1.2
83.79259	1.0
91.05479	11.2
93.05785	3.7
93.07036	9.4
94.06571	13.1
95.04989	1.6
95.08609	1.3
96.04523	1.2
97.06524	3.5
105.07035	1.6
108.08116	17.3
110.06050	1.6
118.06541	2.5
119.04945	6.9
120.08116	1.6
121.06510	2.8
121.10139	1.7
122.06024	12.2
122.09672	6.2
123.05540	2.2
123.06867	2.5
124.06278	1.2
124.07593	7.3
134.06093	1.3
136.07567	29.2
136.11224	1.4
137.10762	1.7
138.09137	30.5
138.46814	1.1
146.06039	4.8
147.04414	4.3
149.07155	3.5
160.07585	2.3
162.05536	1.2
163.08702	4.4
164.07062	100.0
164.10701	8.8
165.07419	4.2
170.09689	2.0
172.07625	2.1
174.09207	3.9
175.05060	1.9
176.10715	4.3
177.06528	6.2
181.09763	8.5
186.05571	2.4
188.07199	1.5
188.10770	2.2
189.10286	1.3
190.08662	1.5
191.08195	3.8
192.10124	6.9
198.09160	1.7
199.10106	1.2
200.07169	2.1
202.08710	4.6
203.08202	3.9
204.06700	1.3
205.09731	1.3
208.71635	1.1
215.11819	2.5
216.10312	3.8
217.09790	2.4
218.08183	3.2
219.08981	2.7
219.11395	1.3
220.09700	1.8
226.08701	2.9
227.11832	1.3
228.06593	5.3
228.10240	2.8
229.09575	1.2
229.13441	1.5
230.08176	1.4
230.11746	2.4
231.11176	1.2
234.10052	2.4
235.10855	2.2
240.10246	1.5
241.13408	1.9
242.08183	1.5
243.11407	2.3
244.09680	5.3
245.09276	4.0
245.13014	1.6
246.07637	1.5
247.10736	1.5
248.09109	1.6
257.12903	2.9
258.11172	18.9
259.11353	1.1
260.12878	1.8
261.08801	7.8
261.12314	1.4
263.10355	4.0
264.08817	1.5
269.08990	1.3
269.12943	7.6
271.10757	1.9
272.09207	2.9
273.12405	1.3
274.13120	2.0
275.13928	3.5
280.13489	1.2
286.10779	2.1
286.15515	8.2
286.47925	1.1
287.10300	11.9
293.16599	1.9
296.13812	1.7
301.11786	21.4
305.06967	1.0
305.11209	6.4
310.18021	1.1
311.17389	1.2
314.14957	19.0
315.09924	1.9
321.15988	2.9
322.14343	1.2
325.15506	1.4
325.19040	1.4
335.17654	2.2
336.16418	1.6
337.19327	1.1
338.17673	1.6
339.16922	4.0
353.18597	8.6
363.17026	9.7
364.16745	1.3
365.18387	3.1
366.17606	2.4
367.16684	1.5
380.19904	2.0
381.18094	31.0
382.17642	3.2
391.16565	12.0
394.15210	2.0
406.17780	3.2
406.23587	1.2
408.19333	6.2
409.17563	92.4
410.17960	5.8
420.19305	1.5
426.20273	25.2
427.19437	4.5
434.17316	2.6
435.41742	1.3
444.21268	16.8
452.18121	39.2
453.18640	4.8
470.19495	1.3
477.21579	1.3
543.26379	2.4
553.25220	1.2
571.25537	5.0
575.16565	5.2
589.26593	46.8
590.26794	6.6
607.19250	9.1
607.27740	65.4
608.27979	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	607.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61226	0.9
53.03934	1.0
54.34985	0.9
55.01870	1.1
55.05504	1.1
63.97017	1.1
65.03929	1.7
67.05503	2.4
68.87730	1.0
69.03436	1.2
69.07051	1.5
70.56059	2.7
79.05503	1.5
81.07014	1.4
85.02926	1.6
88.29778	1.0
91.05495	8.1
93.05785	3.0
93.07047	5.3
94.06559	3.5
96.08139	1.2
97.06534	3.8
105.07073	1.3
106.06545	1.2
108.08119	14.2
109.06504	1.0
110.06043	2.7
113.72845	0.9
118.06563	1.4
119.04948	5.1
119.08583	2.2
120.08069	1.1
120.85968	1.0
121.06503	1.8
121.10146	2.4
122.06021	9.3
122.09654	2.9
123.06831	2.1
124.03781	1.5
124.06274	1.3
124.07591	11.9
133.10126	1.1
135.04366	1.0
135.09157	1.0
136.07574	17.4
138.09134	25.3
145.09003	1.0
146.06036	2.6
147.04408	3.7
149.07089	3.1
152.07018	1.0
160.07564	2.3
162.05534	3.2
163.08640	3.5
164.07066	54.8
164.10664	7.4
168.06583	2.8
170.09639	1.3
174.09145	3.0
175.05025	1.6
175.08653	1.6
176.07195	1.3
176.10733	1.8
177.06575	4.6
181.09735	7.0
184.07571	1.4
186.09190	1.6
188.07031	1.1
190.08626	2.1
191.08182	2.5
192.10208	5.3
198.09128	1.7
200.07147	1.9
202.08627	3.9
203.08131	3.3
212.10733	2.4
216.10208	3.6
217.09651	4.8
218.08058	3.5
219.08844	1.7
220.09702	1.6
227.08260	2.1
228.06624	1.5
228.10133	3.1
229.09637	1.2
229.13148	1.5
230.08069	2.8
230.11737	2.0
233.09326	1.5
234.09911	2.4
235.10808	3.8
240.10217	2.8
241.13362	1.2
243.11324	2.7
243.14793	1.4
244.09740	5.2
245.09224	4.0
245.12663	1.3
246.07452	2.3
257.12839	2.9
258.11255	26.3
259.11420	2.0
260.12714	2.1
261.08713	9.2
261.12234	2.4
263.10300	5.5
263.12769	1.0
268.14462	2.1
269.09244	1.0
269.12857	5.9
271.10724	1.4
271.14566	1.8
272.09103	2.7
273.12292	1.4
274.12930	1.3
275.13821	4.9
283.10825	1.1
286.10837	1.1
286.15546	5.8
287.10257	12.1
289.11655	1.3
293.16397	2.6
295.74365	1.1
299.08917	1.3
299.13968	1.2
301.11832	20.3
305.11243	7.9
310.17661	1.2
313.08228	1.5
314.14975	12.6
315.09750	2.2
321.15891	1.8
335.17560	1.9
336.16171	1.2
337.19305	1.2
339.17001	2.7
345.16135	1.4
349.15546	1.3
353.18564	9.7
355.60623	1.2
363.16980	11.8
365.18613	3.2
366.17892	3.4
367.15958	1.2
378.18143	2.1
380.19650	1.2
381.18085	36.6
382.18271	3.4
391.16660	12.0
392.16342	1.4
406.17413	3.2
408.19156	6.2
409.17557	100.0
410.17969	8.8
424.18512	2.4
426.20215	20.8
427.19537	2.4
434.17108	2.9
438.19928	2.0
443.13016	2.6
444.21210	13.3
452.18158	36.6
453.18445	2.3
470.18967	1.4
529.24463	1.4
543.25867	1.2
571.25372	5.7
575.17004	34.7
576.17078	4.1
589.26611	39.9
590.26453	4.6
607.18378	40.2
607.27441	61.2
608.19012	5.4
608.27600	7.3
608.35223	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	607.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.01878	2.2
57.03436	1.0
65.03958	1.1
67.05501	4.4
69.03449	1.6
69.07074	1.6
69.20287	6.9
70.06596	1.2
72.08163	2.2
73.05089	1.0
79.05487	1.9
81.07043	1.2
83.79259	1.0
91.05479	11.2
93.05785	3.7
93.07036	9.4
94.06571	13.1
95.04989	1.6
95.08609	1.3
96.04523	1.2
97.06524	3.5
105.07035	1.6
108.08116	17.3
110.06050	1.6
118.06541	2.5
119.04945	6.9
120.08116	1.6
121.06510	2.8
121.10139	1.7
122.06024	12.2
122.09672	6.2
123.05540	2.2
123.06867	2.5
124.06278	1.2
124.07593	7.3
134.06093	1.3
136.07567	29.2
136.11224	1.4
137.10762	1.7
138.09137	30.5
138.46814	1.1
146.06039	4.8
147.04414	4.3
149.07155	3.5
160.07585	2.3
162.05536	1.2
163.08702	4.4
164.07062	100.0
164.10701	8.8
165.07419	4.2
170.09689	2.0
172.07625	2.1
174.09207	3.9
175.05060	1.9
176.10715	4.3
177.06528	6.2
181.09763	8.5
186.05571	2.4
188.07199	1.5
188.10770	2.2
189.10286	1.3
190.08662	1.5
191.08195	3.8
192.10124	6.9
198.09160	1.7
199.10106	1.2
200.07169	2.1
202.08710	4.6
203.08202	3.9
204.06700	1.3
205.09731	1.3
208.71635	1.1
215.11819	2.5
216.10312	3.8
217.09790	2.4
218.08183	3.2
219.08981	2.7
219.11395	1.3
220.09700	1.8
226.08701	2.9
227.11832	1.3
228.06593	5.3
228.10240	2.8
229.09575	1.2
229.13441	1.5
230.08176	1.4
230.11746	2.4
231.11176	1.2
234.10052	2.4
235.10855	2.2
240.10246	1.5
241.13408	1.9
242.08183	1.5
243.11407	2.3
244.09680	5.3
245.09276	4.0
245.13014	1.6
246.07637	1.5
247.10736	1.5
248.09109	1.6
257.12903	2.9
258.11172	18.9
259.11353	1.1
260.12878	1.8
261.08801	7.8
261.12314	1.4
263.10355	4.0
264.08817	1.5
269.08990	1.3
269.12943	7.6
271.10757	1.9
272.09207	2.9
273.12405	1.3
274.13120	2.0
275.13928	3.5
280.13489	1.2
286.10779	2.1
286.15515	8.2
286.47925	1.1
287.10300	11.9
293.16599	1.9
296.13812	1.7
301.11786	21.4
305.06967	1.0
305.11209	6.4
310.18021	1.1
311.17389	1.2
314.14957	19.0
315.09924	1.9
321.15988	2.9
322.14343	1.2
325.15506	1.4
325.19040	1.4
335.17654	2.2
336.16418	1.6
337.19327	1.1
338.17673	1.6
339.16922	4.0
353.18597	8.6
363.17026	9.7
364.16745	1.3
365.18387	3.1
366.17606	2.4
367.16684	1.5
380.19904	2.0
381.18094	31.0
382.17642	3.2
391.16565	12.0
394.15210	2.0
406.17780	3.2
406.23587	1.2
408.19333	6.2
409.17563	92.4
410.17960	5.8
420.19305	1.5
426.20273	25.2
427.19437	4.5
434.17316	2.6
435.41742	1.3
444.21268	16.8
452.18121	39.2
453.18640	4.8
470.19495	1.3
477.21579	1.3
543.26379	2.4
553.25220	1.2
571.25537	5.0
575.16565	5.2
589.26593	46.8
590.26794	6.6
607.19250	9.1
607.27740	65.4
608.27979	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	607.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49101	0.2
53.03944	0.7
53.46831	0.2
57.42796	0.2
61.02925	0.4
65.03951	0.2
67.05514	0.9
69.03423	0.3
69.07066	0.3
69.28519	1.3
71.02469	0.2
79.05491	1.9
80.05013	1.2
81.03407	0.7
81.05785	1.0
82.06577	1.3
83.04985	0.2
85.02900	0.7
89.57894	0.2
91.05480	2.2
92.04949	0.2
93.05783	0.5
93.07045	5.5
94.06561	6.7
95.04950	0.7
95.06742	0.3
95.07348	7.2
95.08614	0.6
96.08128	12.3
97.02899	0.5
97.06500	1.4
97.08497	0.4
98.06076	0.3
103.05488	1.2
105.04514	0.2
105.05756	0.4
106.06551	1.2
107.07325	2.5
107.08549	0.2
108.08113	9.7
109.08916	1.0
110.09677	21.7
111.10014	0.4
118.06544	0.4
119.04916	0.2
120.08101	17.9
121.06501	0.7
121.08862	0.8
122.06028	2.0
122.09668	1.6
123.06821	1.2
127.03951	0.4
131.07263	0.5
135.11693	0.3
136.07571	1.8
138.09131	100.0
139.09474	2.2
140.07068	0.5
141.43428	0.2
141.44566	0.2
146.09666	0.7
160.07512	0.3
162.05504	0.3
163.11191	0.3
164.07065	2.9
174.09138	2.2
177.06602	0.8
181.09694	3.1
188.07086	0.7
191.08134	3.0
192.10127	0.3
201.10207	0.3
202.08725	1.9
203.04607	0.2
203.08221	0.6
204.06505	0.3
217.09657	0.6
220.09683	0.3
227.12787	0.3
229.06111	0.3
230.08051	1.0
233.09206	0.4
236.08917	0.2
244.09735	0.4
245.09175	0.6
248.09227	0.9
259.10538	0.3
261.08731	2.1
263.10190	0.4
265.11908	0.3
272.09140	1.5
283.15106	0.6
287.10239	0.9
289.11899	0.3
301.11826	0.3
305.11261	0.3
307.12918	1.8
315.09644	0.2
333.10876	0.7
340.12988	0.4
352.16296	0.2
375.57404	0.2
398.17035	0.7
406.17401	0.3
424.18564	0.5
426.20163	0.6
427.19614	0.3
452.18161	2.0
453.18689	0.2
470.19156	5.6
471.19556	0.3
543.25964	0.2
552.90076	0.2
571.25177	0.2
589.26569	3.6
590.26398	0.4
607.27856	1.0
620.80664	0.2
638.79962	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04424	0.1
50.70563	0.2
51.02383	0.2
53.03941	0.6
55.01865	0.3
55.05497	0.4
59.04280	0.2
61.02928	0.6
63.07718	0.2
65.03963	0.2
67.05502	0.9
69.03423	0.6
69.07062	0.3
69.36649	0.7
69.37078	0.4
70.06579	0.4
71.02479	0.4
71.47388	0.2
72.08136	0.3
77.03894	0.2
79.05489	1.9
80.05012	1.0
81.03410	0.7
81.05796	0.7
81.07050	0.5
82.06576	1.4
83.01308	0.2
83.04971	0.4
85.02909	1.0
85.03352	0.2
91.03944	0.4
91.05473	2.2
93.05790	0.6
93.07044	5.0
94.06568	6.8
95.04968	0.8
95.07354	6.4
95.08592	0.8
96.04482	0.3
96.08132	10.9
97.02882	0.7
97.06516	1.7
98.06097	0.2
99.04448	0.3
103.05475	0.8
105.04478	0.2
105.05791	0.3
106.06534	1.2
107.04963	0.2
107.07350	2.0
107.08591	0.3
108.08116	8.8
109.02827	0.3
109.08940	0.9
110.06054	0.3
110.09679	20.7
111.10005	0.5
118.06557	0.3
119.04972	0.3
119.08530	0.3
120.08105	16.9
121.06485	0.7
121.08865	0.7
122.06036	2.1
122.09670	2.6
123.06824	1.0
124.07567	0.5
127.03905	0.6
131.07347	0.5
136.07574	1.9
137.06000	0.5
138.09135	100.0
139.09494	2.7
140.07043	0.4
145.10117	0.3
146.09666	0.5
147.04410	0.3
151.12224	0.2
153.10197	0.2
153.12762	0.3
160.07506	0.3
162.05476	0.2
163.03949	0.2
163.05806	0.1
163.07466	0.2
163.08722	0.2
163.11130	0.2
164.07065	3.0
174.09157	1.4
177.06570	1.2
178.08699	0.2
180.10147	0.3
181.09723	3.1
188.07034	0.5
191.08159	2.7
192.08559	0.2
192.10107	0.3
202.08771	1.5
203.08232	0.5
208.09659	0.2
209.11696	0.3
216.10339	0.2
217.09789	1.1
219.11284	0.4
220.09718	0.3
227.12886	0.3
230.08061	1.4
231.07907	0.2
231.11301	0.3
235.10773	0.4
241.09830	0.2
242.10516	0.2
243.11285	0.3
244.09715	0.4
245.09215	0.5
248.09183	1.2
257.12814	0.4
259.09796	0.3
260.09952	0.3
261.08682	1.9
261.12219	0.2
263.10300	0.8
265.11868	0.3
272.09219	1.1
275.13889	0.2
277.43454	0.2
279.13333	0.3
283.15341	1.2
287.10312	1.0
288.08493	0.2
289.08386	0.2
289.11774	0.4
290.10162	0.3
291.09943	0.4
301.11707	0.7
302.12204	0.3
305.11450	0.5
307.12878	1.8
323.12918	0.8
326.15164	0.2
333.10791	0.7
340.13010	0.6
378.18048	0.2
394.18173	0.2
398.17151	0.6
400.18732	0.4
406.17535	0.2
422.16660	0.2
424.18338	0.6
426.20187	0.6
427.19669	0.5
440.15823	0.2
442.19623	0.4
446.03735	0.2
450.16821	0.2
452.18207	2.0
468.17563	0.6
469.17664	0.4
470.19147	6.6
471.19498	0.6
571.25092	0.5
575.16730	0.4
589.26581	4.9
590.26691	0.7
607.18909	0.5
607.27386	4.6
608.27399	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.3
52.46117	0.2
53.03941	0.7
55.01864	0.3
57.03427	0.2
61.02899	0.3
65.03938	0.3
67.05501	0.9
69.03413	0.7
69.07052	0.4
71.02480	0.3
71.04974	0.2
71.06030	0.3
73.02912	0.2
77.03904	0.2
79.05488	1.9
80.05004	1.3
81.03407	0.5
81.05789	0.7
81.07038	0.3
82.06587	1.4
83.04965	0.3
85.02894	0.6
91.03960	0.4
91.05468	2.8
93.05769	0.4
93.07041	5.6
94.06560	7.2
95.04973	1.2
95.07343	7.2
95.08604	0.6
96.04496	0.3
96.08127	11.1
97.02890	1.0
97.06513	1.6
97.08456	0.3
98.06037	0.2
99.04469	0.3
103.05479	1.1
105.04478	0.2
105.05750	0.4
105.07047	0.2
106.06551	1.5
106.83498	0.2
107.07325	2.6
108.08112	8.8
109.08913	1.2
110.09673	22.3
110.99367	0.2
111.10014	0.8
113.91869	0.2
116.74437	0.2
118.06517	0.6
119.04926	0.3
120.08097	20.5
121.06498	0.5
121.08958	1.7
122.06004	2.5
122.09658	5.1
123.06802	1.2
124.07637	0.2
127.03896	0.4
129.07013	0.4
131.07315	1.4
132.08063	0.3
134.09645	0.4
136.07581	2.3
138.09126	100.0
139.09482	2.8
140.07059	0.5
144.08115	0.2
145.04958	0.2
146.09631	2.0
147.04385	0.6
149.07143	0.3
159.06807	0.3
160.07541	0.5
161.34636	0.2
162.05531	0.4
163.03891	0.4
163.08725	0.2
163.11234	0.3
164.04134	0.3
164.07054	4.1
174.09129	6.3
176.06944	0.2
177.06604	1.1
181.09705	3.7
181.12189	0.2
188.07076	0.7
189.10318	0.2
191.08160	2.7
192.10173	1.9
199.08646	0.3
200.09413	0.3
201.06575	0.3
202.07280	0.7
202.08878	1.8
203.08167	1.1
204.06548	0.5
205.09785	0.3
217.09724	1.9
219.11160	0.5
220.09615	0.3
229.06114	0.3
230.08121	1.5
231.07590	0.2
233.09262	0.5
235.10760	0.3
237.12332	0.3
243.07640	0.3
243.11285	0.4
244.09729	0.4
245.09245	1.4
248.09149	1.1
257.09192	0.7
259.10754	0.5
261.08676	13.6
262.08850	1.0
263.10196	0.7
265.11850	0.2
269.09186	0.2
271.07245	0.2
272.09171	1.0
273.08807	0.3
279.13266	0.2
283.14960	0.6
285.08661	0.5
285.15933	0.3
287.10242	2.2
288.08514	0.3
289.11829	0.2
290.10257	0.3
305.07794	0.2
305.11273	0.7
307.12872	1.5
313.08087	0.9
315.09399	0.4
321.14771	0.2
333.10803	0.7
340.12833	0.3
398.17014	2.8
406.17667	0.6
424.18668	0.5
426.19989	1.2
427.19846	0.5
434.17078	0.3
443.20367	0.2
450.16531	0.4
452.18130	7.6
453.18329	0.7
468.17242	0.6
469.17892	0.3
470.19141	6.9
471.19449	0.8
543.25928	0.5
571.25159	0.7
589.26508	9.6
590.26746	1.2
607.27338	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2909
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
64.06233	0.3
66.46329	0.3
82.27222	0.3
82.42780	0.3
83.64021	0.3
84.34694	0.3
103.18188	0.4
113.46058	0.4
114.51324	0.3
161.16769	0.3
314.98535	0.3
389.17569	1.0
390.18326	0.4
402.18616	0.4
403.19254	2.3
404.20074	1.1
405.20819	1.2
415.19394	0.5
416.20026	0.8
417.16006	0.5
417.21365	2.1
418.21466	1.3
419.22348	2.9
430.17499	0.5
431.18243	5.3
431.23798	0.4
432.18857	1.6
433.24243	4.4
434.24579	1.3
444.19434	0.6
445.19800	6.0
446.20807	3.3
447.21848	2.9
448.22327	0.5
459.21289	2.7
460.22458	7.8
461.23370	7.8
462.23981	0.6
473.23584	1.4
474.24393	0.8
476.21756	0.4
477.22894	0.5
487.24927	1.2
488.25894	0.5
491.24646	0.4
505.21625	1.6
518.23315	0.5
519.24323	1.3
532.25037	0.6
547.27032	19.0
548.27344	2.3
563.26709	0.5
575.26538	0.7
579.29614	0.5
607.29120	100.0
608.29407	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	607.2907
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
61.80275	0.4
69.59862	0.8
69.60254	1.3
104.47198	0.4
106.93887	0.4
118.72487	0.4
120.56247	0.5
174.77373	0.5
293.77390	0.5
387.16611	0.5
388.16693	0.8
389.17639	1.9
394.74356	0.6
401.17761	1.4
402.18393	1.4
403.19302	5.3
404.19971	1.7
405.20630	2.2
415.18970	1.2
416.20142	1.4
417.21362	5.5
418.21701	3.7
419.22360	4.2
429.21246	0.7
430.16843	0.8
430.22217	0.9
431.18130	11.2
432.19250	2.7
432.23758	1.4
433.24051	12.0
434.24396	2.8
444.23602	0.7
445.19727	11.7
446.20642	7.0
447.21469	4.6
454.79663	0.5
458.20731	0.5
459.21347	6.9
460.22534	18.6
461.23285	22.1
462.24182	2.1
473.23572	4.6
474.24277	2.3
477.23010	0.8
487.25073	2.1
488.25873	1.2
489.22610	0.6
491.24908	0.6
492.25040	0.8
504.25238	0.8
505.21518	3.6
515.24524	0.8
518.23492	0.5
519.27478	2.7
532.24249	1.4
547.27039	59.7
548.27460	7.7
575.26532	1.5
579.29468	1.5
607.29132	100.0
608.29456	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	607.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	7.5
57.07077	6.8
63.52894	3.8
67.05506	22.6
69.07077	5.5
71.08636	11.1
71.28986	4.7
74.53986	3.8
79.05494	12.7
81.03432	5.3
81.07075	20.7
81.07473	4.2
83.08643	5.0
85.10190	4.9
88.38827	3.6
91.05488	8.9
93.07066	13.6
95.08621	11.6
99.08074	4.4
105.07032	6.3
107.08566	8.1
109.10184	4.9
119.08616	6.2
121.10149	5.8
133.10060	4.5
134.10774	4.0
135.11641	3.6
149.48750	4.1
151.11238	4.2
163.11293	3.5
277.21704	5.7
283.15405	6.4
313.27429	9.3
572.40240	5.7
607.36157	100.0
608.36029	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	608.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.2
53.03933	3.4
55.01875	10.1
55.05512	25.2
55.13295	1.0
57.03439	8.2
57.07063	1.8
59.04995	2.6
61.31414	1.0
65.03940	1.6
67.05504	24.4
69.03429	6.3
69.07069	21.8
71.04990	3.8
71.08627	1.0
79.05492	27.6
81.03418	9.4
81.07056	25.4
81.07749	0.9
83.01353	5.2
83.04977	8.1
83.08624	14.7
85.02924	2.1
85.06537	1.3
85.70322	0.8
91.05484	20.6
93.07045	26.1
94.04173	1.1
95.04538	0.8
95.04976	8.8
95.08603	12.9
97.02885	7.9
97.06534	5.2
97.10169	8.0
99.04476	2.2
99.08050	1.3
103.05438	1.3
105.03395	0.9
105.07029	15.2
107.04955	10.8
107.08595	14.1
109.06525	4.5
109.10149	5.8
111.04423	1.9
111.08064	2.4
115.05472	1.6
116.06282	0.9
117.07007	10.3
119.08580	14.3
121.06539	6.1
121.10133	7.8
123.04432	0.9
123.08070	6.8
125.09645	7.8
129.06989	4.5
130.07806	2.2
131.08559	9.3
133.06465	3.3
133.10139	4.5
135.08018	4.6
135.11717	7.0
137.09578	2.0
141.06969	1.1
143.08542	4.9
145.10114	11.8
147.08043	6.0
147.11708	1.8
149.09627	2.0
153.12759	2.3
155.08513	1.5
157.10124	2.5
159.11658	2.2
161.09616	2.7
161.13260	0.9
163.11171	16.1
165.09074	1.7
171.10191	1.1
171.11676	1.6
173.09669	2.9
175.11218	1.9
177.12772	1.3
181.12164	1.7
189.11185	3.1
191.10649	1.6
195.13794	1.9
209.11723	6.0
210.89682	0.9
223.13272	15.5
224.13457	1.1
227.12746	5.2
245.18855	1.3
249.14906	2.9
273.18518	13.8
283.15390	59.8
284.15805	3.5
291.19525	100.0
292.19849	5.1
347.22043	2.2
365.23175	31.0
366.23529	3.6
489.84509	0.9
573.34155	43.6
573.43213	2.2
574.34216	3.6
608.43860	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.4
55.01875	13.3
55.05510	21.1
57.03442	7.4
57.07052	1.9
59.04995	4.3
60.77864	1.4
65.03934	3.6
67.05505	50.0
69.03443	3.4
69.07064	13.1
71.04980	5.6
71.28580	1.6
74.13857	1.5
79.05493	35.4
81.03422	9.0
81.07053	49.7
82.07390	2.7
83.01346	5.5
83.04975	15.0
83.08625	8.5
85.02899	2.4
85.06546	3.7
86.09702	2.4
91.05482	51.1
92.05860	1.7
93.07037	39.0
95.04948	10.3
95.08605	17.1
97.02910	2.0
97.06528	8.2
97.10202	2.6
99.04472	2.5
102.26423	1.7
103.05488	2.1
105.04563	1.6
105.07031	43.2
106.07371	2.2
107.04970	8.7
107.07864	2.5
107.08595	35.6
109.06525	9.9
109.09447	3.1
109.10152	41.2
109.26324	1.5
110.10537	2.1
111.04469	2.8
111.08090	4.5
113.05971	2.6
117.07014	8.7
119.08567	12.6
121.06508	7.2
121.10148	6.9
123.04424	1.7
123.08070	6.3
123.11674	7.5
125.05953	1.5
125.09589	1.8
129.07004	5.0
131.08542	11.0
133.06532	2.0
133.10130	52.4
135.08054	6.2
135.11687	6.7
137.09552	1.9
143.08546	3.6
145.10109	16.3
147.08032	2.7
147.11656	3.3
149.09625	5.3
151.11174	26.2
157.10132	2.5
159.11710	2.9
161.09642	5.1
163.11185	15.4
169.10164	1.9
169.12245	7.0
171.11659	2.7
173.09598	3.3
175.11151	2.0
177.09087	1.5
181.10358	1.7
181.12077	3.5
184.07372	3.3
185.13304	3.0
191.10677	2.2
209.11761	6.1
215.12823	3.5
227.12738	2.6
239.17938	2.1
245.18974	2.3
251.12643	1.9
253.14346	100.0
254.14749	4.7
263.20084	2.0
273.18457	17.4
283.15433	41.4
284.15692	2.1
291.19595	13.2
347.22211	3.5
365.23245	11.6
477.24844	2.4
479.26346	25.1
480.25998	2.5
555.33710	2.0
560.70819	1.9
573.34277	14.5
574.34869	2.7
608.44043	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2705
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03952	0.5
55.01878	0.5
55.05510	1.2
57.03425	0.5
67.05504	4.9
69.07069	1.4
71.05006	0.4
79.05487	3.9
81.07053	4.1
83.08622	0.8
86.55648	0.3
91.05459	3.7
93.07055	3.4
95.08607	2.7
97.06537	0.5
97.10182	0.4
105.07033	3.4
107.08597	2.7
108.84093	0.3
109.06506	0.6
109.10175	1.1
114.50225	0.3
117.07006	1.8
119.08580	1.9
121.10155	1.2
129.07007	0.4
131.08554	1.9
133.10107	1.7
135.11722	0.8
143.08502	0.8
145.10114	2.5
147.11707	0.9
149.09679	0.4
149.13205	0.5
155.08528	0.5
157.10121	0.6
159.11717	0.8
161.13272	0.6
163.11214	0.6
169.10149	0.8
171.11746	0.8
172.04002	0.6
177.12767	0.4
183.09201	0.4
183.11707	0.6
208.99323	0.3
209.13301	0.4
226.84308	0.3
235.61053	0.4
239.17923	0.6
257.19012	1.3
275.20169	2.5
298.13416	0.3
335.25812	0.5
361.14957	0.3
362.15332	0.3
363.16263	0.5
371.94797	0.3
374.15033	0.4
375.16168	0.5
376.16922	0.9
377.17734	2.8
378.18787	1.0
379.19305	1.2
389.17764	0.9
390.18469	1.3
391.19379	3.5
392.20251	1.8
393.20837	2.1
394.21262	0.3
395.22427	0.3
403.14957	0.4
403.19666	0.8
404.16156	1.0
404.20090	1.1
405.16434	4.9
405.21136	1.8
406.17218	1.7
407.18094	0.6
407.22491	6.5
408.22946	0.9
417.16656	0.6
418.18048	1.2
419.18237	5.9
420.19055	3.3
421.20044	3.4
422.21213	0.4
431.18680	0.7
432.19571	0.7
433.16013	2.2
433.21069	5.2
434.21133	5.2
435.21814	12.0
436.22491	1.7
446.21460	0.4
447.18256	4.0
447.22968	1.1
448.18112	1.9
449.19482	2.5
450.21283	0.3
451.21277	0.4
461.19675	1.9
461.24454	0.8
462.20276	8.7
463.21191	7.6
464.21677	0.4
474.20651	0.4
475.21426	3.4
476.22018	1.5
478.23416	0.4
479.20358	0.6
489.22784	2.1
490.33823	0.4
493.26480	0.6
494.22800	0.5
506.23196	0.8
507.20432	1.4
517.22345	0.5
521.25775	9.3
522.25647	1.3
534.22791	0.8
549.24957	29.7
550.25220	3.6
577.24481	0.4
581.27716	2.1
609.27032	100.0
609.44794	5.6
610.27338	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	609.2706
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
50.04770	0.3
55.01859	0.6
55.05510	1.0
56.28930	0.4
57.03435	0.4
67.05503	3.7
67.13753	0.4
69.07082	1.4
71.08636	0.5
79.05487	3.0
81.07057	2.7
83.08643	0.6
84.03264	0.4
85.06516	0.3
85.33345	0.3
89.06030	0.6
91.05456	2.5
93.07034	2.9
93.53099	0.3
95.04979	0.9
95.08603	2.5
105.07032	2.0
107.08600	2.0
109.10177	0.3
117.07034	1.2
118.01270	0.3
119.08568	1.9
121.10165	0.9
123.07968	0.3
129.06985	0.8
131.08551	1.6
133.10168	1.4
135.11667	0.7
142.07814	0.4
143.08604	0.8
145.10155	1.3
147.11746	0.8
155.08614	0.5
157.10098	0.6
159.11746	1.5
161.13315	0.5
163.11229	0.5
169.10133	0.6
171.11687	0.6
173.13239	0.7
183.11711	0.4
185.13300	0.8
197.13280	0.5
199.14973	0.4
209.10768	0.4
211.12424	0.6
211.14626	0.3
223.12352	0.7
237.13948	0.4
239.15448	0.5
257.19067	0.7
275.20084	1.9
339.08624	0.4
355.07254	0.5
375.16699	0.6
376.17361	0.8
377.17725	0.9
378.18927	0.4
389.18442	1.2
390.18671	1.6
391.19180	2.3
392.20023	1.4
399.16544	0.4
401.17746	0.5
402.18762	0.5
403.19363	0.9
404.15842	0.6
404.20609	0.8
405.20871	2.9
406.21475	2.4
407.22284	3.5
408.22552	0.4
413.17868	0.6
414.18298	0.6
415.19058	1.7
416.19458	0.8
417.21387	0.7
419.18353	1.1
419.22549	1.2
420.23087	0.8
421.23877	3.9
422.24606	0.7
427.19238	0.7
428.20071	0.7
429.21124	1.7
430.16583	0.4
430.21722	1.3
431.18857	1.3
432.19238	1.0
433.20316	1.9
434.20850	0.6
435.21689	0.5
443.22455	0.8
444.23434	0.8
445.20453	1.7
446.21027	0.7
447.17264	2.2
448.18417	0.7
449.23676	0.7
451.21741	0.5
452.22101	0.6
457.23831	1.5
458.24905	0.5
459.21738	2.1
460.23218	1.8
461.19058	5.7
462.20181	3.5
463.21219	2.0
464.21603	0.6
471.17798	0.7
472.22583	1.1
473.19479	1.1
474.20493	1.4
475.21082	8.6
476.21829	8.2
477.22458	6.2
478.23544	1.3
479.24536	0.5
485.23856	6.0
486.19870	2.8
487.21207	1.6
488.22006	1.1
489.22910	6.9
490.23367	0.7
493.22601	1.2
494.26804	1.2
497.23471	1.0
499.21249	3.9
500.21912	2.4
503.24451	7.8
504.24875	1.6
505.22260	0.7
507.23901	1.1
513.23102	1.4
515.24365	5.3
516.25104	0.9
517.22150	2.4
517.40955	0.4
518.23285	1.0
521.26031	3.1
522.25775	0.6
531.23853	10.7
532.24274	1.5
535.23090	0.9
541.22565	0.9
548.23792	0.5
549.24982	2.1
550.25739	4.1
551.26111	0.8
559.23334	5.6
560.23853	0.7
563.26379	1.3
564.26587	0.5
577.24408	2.3
591.26019	14.8
592.26477	1.9
609.27039	100.0
609.44391	3.7
610.27295	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	609.2705
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
50.07903	0.5
56.01883	0.4
67.05500	0.9
69.20544	1.6
69.20969	1.5
75.35940	0.5
79.05487	0.7
81.07042	0.7
84.03026	0.5
91.05490	1.0
93.07033	0.6
97.75457	0.5
98.23412	0.9
105.00765	0.4
105.07005	0.8
121.10126	0.7
145.10223	0.6
198.97878	0.5
223.12190	0.7
239.11595	0.5
251.15517	0.8
275.19986	0.7
375.16547	0.6
376.17047	0.7
377.17612	1.1
378.19263	0.7
389.18073	0.8
390.18579	1.5
391.19327	2.6
392.19852	2.6
393.20557	0.5
400.17062	0.8
401.17770	0.8
402.18729	0.7
404.16138	0.8
404.20767	0.9
405.21021	3.9
406.21527	2.3
407.22269	3.4
408.22653	0.7
413.17981	0.7
414.18600	1.2
415.19196	2.5
416.20306	1.0
417.21036	0.7
418.21930	0.7
419.18100	1.0
419.22537	1.7
420.23294	1.8
421.24069	4.9
422.24350	0.7
427.19272	1.1
429.20752	3.7
430.21909	1.4
431.18146	1.2
431.23163	0.7
432.19159	1.0
433.20462	2.3
434.20200	0.6
435.21826	1.3
442.21585	1.0
444.23404	2.2
447.17618	1.2
447.22650	0.7
448.18597	0.9
449.23502	1.4
457.24243	2.2
458.25104	0.8
459.21918	3.1
460.22787	1.7
461.19125	5.2
462.20114	3.1
463.21402	1.9
472.22586	1.0
474.20135	1.3
475.20987	8.7
476.21933	8.7
477.22357	5.6
478.23547	1.6
479.24234	1.3
485.23541	10.0
486.20813	4.5
487.25378	0.8
488.21890	1.5
489.22910	6.5
490.23853	0.6
493.22202	0.9
494.26605	1.2
499.21234	2.5
500.22101	2.2
501.22791	1.1
502.23895	0.8
503.24600	6.8
504.24536	2.0
507.23782	1.0
513.22650	1.7
515.24542	9.6
516.24402	1.3
517.22388	1.3
521.26300	3.1
522.24994	0.7
531.23907	19.5
532.23694	2.5
534.22559	0.5
535.23724	1.0
541.22614	0.8
548.24133	0.7
549.25049	3.8
550.25671	4.6
559.23383	9.3
560.23792	1.1
577.24445	1.9
591.25989	37.1
592.26337	4.5
609.27045	100.0
610.27283	14.0
631.82007	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00741	0.5
52.41549	0.5
55.05520	0.7
57.07088	1.0
58.14829	0.5
67.05510	3.5
68.88187	0.7
69.07082	1.4
75.36990	0.5
77.70377	0.5
79.05502	2.6
81.07070	3.3
81.44907	0.5
83.08626	0.7
91.05494	1.8
93.07043	2.4
95.08620	1.9
105.07031	2.6
107.08614	2.0
109.10135	1.2
117.07053	0.6
117.27493	0.6
119.08577	1.3
121.10194	0.6
129.07033	0.9
131.08578	1.5
133.10135	0.7
135.11740	0.7
135.30016	0.6
140.94774	0.5
143.08586	0.6
145.10121	0.9
149.13420	0.8
151.29289	0.7
155.08498	0.7
171.11714	0.9
257.18790	0.6
275.20111	1.0
377.17731	2.4
378.18744	0.8
391.19064	3.9
392.19727	3.7
393.20642	0.9
405.20920	2.2
406.21603	4.4
407.22287	9.2
408.22720	1.0
419.22601	2.7
420.23383	1.3
421.24084	7.1
422.24493	1.7
434.20270	0.9
434.25369	0.9
435.21790	17.7
436.22327	1.8
438.20660	1.7
448.18478	1.1
449.23529	7.7
450.24182	3.0
452.21957	1.1
452.49771	0.7
460.22324	0.7
462.20590	4.7
463.21213	16.0
464.21884	1.4
475.21490	1.0
476.21823	0.7
477.22787	14.3
478.23279	4.4
492.25223	0.8
521.21338	4.1
533.25702	1.3
535.23615	4.9
536.24121	0.9
549.25793	0.9
550.25745	21.2
551.26129	2.2
591.26440	1.0
607.47046	0.6
609.27106	100.0
609.37061	6.0
610.27338	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	609.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.01863	1.6
55.05507	2.6
57.03436	5.6
61.02920	3.4
65.03960	1.0
67.05503	5.6
69.03430	2.9
69.07075	1.2
71.04949	0.9
71.30726	1.1
73.02907	2.3
73.04760	1.7
79.05492	7.4
81.03418	5.9
81.07040	4.1
82.37008	0.8
83.04999	1.7
83.08650	0.9
85.02905	3.9
91.03966	1.9
91.05479	4.9
93.07055	5.9
95.04962	3.0
95.08620	2.3
97.02898	4.0
97.06525	2.9
97.10170	1.2
101.02391	1.2
105.07028	3.3
107.04955	1.4
107.08583	4.4
109.02915	2.7
109.06541	1.5
111.03226	0.8
117.07054	2.1
118.14026	1.1
119.08593	1.6
121.10113	1.4
124.30403	0.8
125.09638	1.5
127.03918	2.8
129.06943	0.8
131.08585	1.6
133.10136	2.8
135.08057	3.6
135.11673	3.8
145.10114	1.2
147.11696	1.2
153.09126	2.4
167.05678	1.0
193.12277	0.9
225.04391	1.1
227.12759	1.1
239.09503	1.9
243.08487	1.6
255.12402	0.9
255.15912	1.0
256.69870	0.8
267.15973	1.4
268.97833	1.0
273.31808	0.9
285.00998	1.5
299.06485	1.0
355.07104	4.1
373.07779	1.1
411.16299	6.9
439.19522	4.8
609.28735	100.0
610.29102	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	609.3773
Annotation	Unknow
Peak:m/z	Relative Intensity
63.52365	0.7
67.05500	2.7
68.98461	1.3
68.98859	7.0
69.07063	0.9
72.58962	0.7
73.04753	3.7
79.05492	1.9
81.07054	2.4
83.04919	0.8
91.05878	6.2
93.07050	3.0
95.08637	1.7
105.07024	1.1
119.08589	1.3
131.08595	0.8
164.00165	0.8
167.05568	2.5
219.17555	1.1
239.09474	2.9
268.97711	1.1
275.20126	1.4
285.01004	3.0
299.06180	2.8
355.07001	6.9
373.08038	0.9
389.17520	2.0
390.17755	0.8
403.18915	2.3
404.19357	2.2
405.20020	4.2
406.20779	2.3
407.21512	1.2
417.20624	1.7
418.21152	2.8
418.99411	1.2
419.16968	1.1
419.21777	5.3
420.22189	3.5
421.22928	2.4
431.18201	2.0
432.18115	4.6
433.18500	6.7
433.23831	3.4
434.19305	1.0
434.24573	4.3
435.24774	5.4
440.39288	1.0
445.19788	2.4
446.20328	6.4
447.20450	9.1
448.21826	5.9
449.22449	3.5
459.21112	1.5
460.22333	3.6
461.22754	10.1
462.23279	16.2
463.23981	13.7
475.24039	3.6
476.24762	1.8
479.23425	1.2
489.25500	2.4
507.22858	2.9
517.25012	1.3
519.81641	0.9
521.24542	1.5
534.25830	1.8
547.27014	2.6
548.27478	5.4
549.27673	50.4
550.27972	3.1
577.27173	1.2
609.29419	100.0
609.37744	55.6
610.29620	7.8
610.37964	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	609.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01862	1.9
55.05507	3.8
57.07069	3.8
62.89104	1.0
66.64693	0.9
67.05504	10.4
69.03419	5.6
69.07070	3.7
69.92412	1.0
69.92751	4.6
71.05006	1.5
71.08627	3.0
71.81417	1.0
79.05492	11.7
79.09450	1.0
81.03416	2.6
81.07061	12.7
83.04990	3.2
83.08617	2.7
89.94662	1.1
90.35336	1.0
91.05431	10.6
93.07039	8.0
95.04989	1.7
95.08588	6.2
97.02879	2.1
97.06561	1.5
99.08099	1.7
105.07024	11.9
107.04971	3.4
107.08591	22.1
109.02831	2.0
109.06522	4.5
109.10158	9.8
110.06911	1.5
111.08066	1.4
111.76492	1.2
115.05400	1.7
117.07029	4.9
119.08603	4.0
121.06548	2.1
121.10137	13.0
122.07282	4.5
131.08530	5.4
133.10127	100.0
134.10457	3.1
135.08040	8.2
135.11697	3.3
137.09615	50.8
143.08632	1.4
145.10129	4.1
147.11707	3.1
149.09660	2.4
149.13277	11.8
151.11165	3.7
158.10931	1.4
159.11674	1.5
163.14832	3.0
169.12355	1.3
173.13268	6.0
177.12721	1.7
179.14307	2.4
183.11786	1.1
191.14302	47.7
192.14723	2.2
196.60466	1.4
209.15379	8.0
239.23781	1.7
275.20120	3.0
277.21576	1.6
355.06628	1.3
401.28976	1.4
443.00833	1.2
474.79227	1.2
609.26923	3.1
609.37695	10.4
609.45148	5.1
610.45239	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11874	0.5
51.96005	0.5
53.03931	2.5
55.01870	2.1
55.05514	18.2
57.03436	5.2
57.07070	2.0
57.61389	0.5
60.72460	0.5
61.11196	0.5
65.03932	1.4
67.05506	28.0
68.05847	0.8
69.07069	14.3
71.04994	1.3
71.08611	0.6
73.04783	0.8
74.34834	0.6
79.05495	21.6
80.05853	0.6
81.07059	28.5
83.04969	1.2
83.08621	7.1
85.06542	1.7
91.05472	19.2
93.07047	21.0
95.04981	2.2
95.08608	23.1
96.08991	0.5
97.06549	2.7
97.10181	3.2
99.08121	0.6
103.05469	0.6
105.04536	0.7
105.07034	18.8
107.04959	0.6
107.08592	13.5
109.06552	1.4
109.10166	9.5
111.08021	1.2
111.11742	0.7
112.90852	0.5
115.05479	2.1
116.06224	0.6
116.63539	0.4
117.07023	10.5
118.75753	0.5
119.08584	16.7
120.08954	0.5
121.10146	8.0
123.08099	1.5
123.11707	3.1
125.09644	1.9
128.06224	4.2
129.07010	14.3
130.07825	1.2
131.08571	18.8
132.08929	0.8
133.10127	12.2
133.11060	0.9
134.10497	0.6
135.11697	5.8
137.09634	0.8
137.13251	1.0
137.50359	0.5
141.06984	6.5
142.07780	3.3
143.08569	19.0
144.09177	0.7
145.06445	0.5
145.10123	15.4
146.10474	0.8
147.11688	6.4
149.09618	0.9
149.13240	3.1
152.99060	0.5
153.06985	2.4
154.07825	1.9
155.08560	14.4
155.09814	0.7
156.09306	2.0
157.10130	15.3
159.11682	11.1
160.12291	0.6
161.13242	3.4
163.14859	0.9
165.07065	1.8
166.07777	1.3
167.08563	7.8
168.09381	2.1
169.10130	17.8
169.11511	1.0
170.10806	1.7
171.11703	13.9
172.12257	0.8
173.13252	7.0
175.14886	2.2
177.12750	0.5
177.16261	0.6
179.08578	3.2
180.09364	1.0
181.10123	10.0
182.10921	2.0
183.11696	17.5
184.12215	1.1
185.13252	10.0
185.14760	0.7
187.14822	3.5
189.16420	1.5
191.08553	0.6
192.09393	0.7
193.10220	2.6
194.10928	0.8
195.11711	10.5
196.12331	1.4
197.13257	13.5
198.13707	1.2
199.13234	0.8
199.14804	6.2
201.16420	2.7
203.17970	1.0
205.10205	0.9
206.10847	0.7
207.11670	4.3
208.12517	0.6
209.13268	8.4
210.13881	1.1
211.11288	0.6
211.14827	8.5
213.16389	4.3
215.17976	0.8
219.11710	0.7
221.13329	2.9
223.14813	6.2
225.12767	0.6
225.16415	6.0
227.16196	0.6
227.18126	3.1
228.18265	0.6
229.19406	0.8
233.13290	1.2
233.19054	0.7
235.14862	2.5
237.16383	4.5
239.17957	3.6
241.19635	1.7
249.16435	1.3
251.18019	2.2
253.19650	1.2
255.21361	0.7
257.18997	1.0
261.16476	0.7
263.18115	1.4
265.19580	1.6
267.21048	0.9
269.18817	0.7
271.20724	0.6
275.20291	0.7
277.19543	0.7
279.17572	0.6
279.21097	1.5
281.19012	0.8
281.22366	0.7
283.20438	1.0
285.22208	0.6
291.21097	0.9
293.19110	0.8
293.22467	1.0
295.20535	0.9
297.22134	1.1
299.20068	0.7
307.20291	0.7
309.21991	1.0
311.20261	1.0
311.23804	1.5
313.21765	1.0
321.22025	1.2
323.23877	1.6
325.21597	0.8
325.25336	1.4
335.23734	1.6
337.21716	0.6
337.25421	1.3
339.23099	1.0
341.25034	0.8
347.23538	0.7
349.25403	1.1
351.23053	0.6
351.26782	2.4
353.24597	0.7
355.07019	0.8
355.26306	0.9
361.24728	0.7
363.26871	1.9
365.24591	0.9
365.28583	1.9
367.26288	0.8
369.27899	1.1
377.28366	1.4
379.30185	1.3
383.29572	0.6
391.30014	1.3
393.31583	1.5
395.29578	0.6
407.29245	0.9
409.31488	0.7
417.31393	0.8
429.31250	0.9
447.32578	2.0
461.33856	0.8
487.34369	0.8
499.39529	2.8
517.40399	13.7
518.40955	2.2
521.36316	1.0
525.35950	0.8
527.37299	0.9
535.41650	7.1
536.41638	1.0
539.37354	1.5
540.38025	0.7
541.39038	0.7
553.41302	0.7
567.40002	0.7
573.42871	1.4
591.43988	15.8
592.44611	2.9
609.26862	2.9
609.45135	100.0
610.45557	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	609.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92591	1.1
53.03945	3.2
55.01867	2.3
55.05510	20.4
57.03436	4.9
57.07073	3.6
58.36979	1.0
64.75361	1.1
65.03951	2.9
67.05504	33.7
69.07072	16.2
71.04995	1.8
71.08627	1.6
71.28510	1.1
73.04757	1.7
79.05492	25.0
80.05840	1.2
81.03429	2.6
81.07054	33.0
82.07384	1.5
83.04984	2.8
83.08612	9.0
85.06544	2.0
91.05448	21.8
93.07038	24.2
95.04974	4.0
95.08604	27.0
97.06543	4.0
97.10190	5.5
99.08105	3.1
105.07028	17.6
107.05006	1.2
107.08597	15.5
109.06548	2.1
109.10159	11.2
110.10497	1.4
111.08089	2.6
117.07010	12.1
119.08582	19.0
119.10332	1.1
121.06528	1.8
121.10134	11.4
123.08020	1.2
123.11693	3.4
125.09656	2.3
128.06233	3.9
129.07014	15.5
130.07780	1.1
131.08557	19.4
133.10129	14.3
135.11674	7.3
141.07031	8.1
142.07823	3.8
143.08565	17.2
145.10117	20.1
147.11697	8.1
149.09686	1.4
149.13272	3.1
153.07018	1.6
154.07787	2.4
155.08568	14.9
156.09341	3.3
157.10129	17.3
159.11705	13.6
161.13293	3.3
163.11241	1.9
163.14867	1.6
165.06999	1.7
166.07742	2.0
167.08568	8.8
168.09337	1.5
169.10110	20.2
171.11655	14.5
173.13266	7.1
175.14894	2.9
177.16354	1.5
179.08591	2.8
181.10094	10.6
182.10881	2.6
183.11678	17.0
184.12093	1.4
185.13280	12.9
187.14894	3.5
189.16367	1.6
193.10184	3.7
194.10817	1.8
195.11703	11.2
196.12277	1.8
197.13249	14.8
198.13890	2.4
199.14839	9.5
201.16478	3.0
205.10133	1.8
207.11713	4.3
209.13226	9.6
211.14824	10.5
213.16432	5.4
215.18060	1.4
219.11644	2.0
221.13315	3.9
223.14839	7.4
224.15419	1.4
225.16373	6.8
227.18010	3.5
233.13298	1.6
235.14833	3.0
237.16434	5.7
239.09479	1.7
239.18015	5.1
241.19725	1.7
249.16438	2.9
251.18015	3.5
253.19675	1.6
257.19089	1.9
261.18661	1.4
263.17844	1.4
265.19528	1.9
267.21075	1.4
275.20081	2.2
279.21133	1.8
283.15421	3.9
285.01147	1.4
293.21024	8.5
295.20587	1.7
297.21982	1.3
299.19888	1.3
303.69879	1.1
309.22208	2.1
337.25330	1.9
341.24475	1.2
351.26828	3.1
355.07156	3.7
363.26868	2.0
365.28461	2.8
367.25394	1.3
379.30020	2.6
405.31720	1.8
425.01590	1.2
499.39294	2.7
517.40454	14.7
518.41187	1.7
535.41681	6.3
573.43164	1.9
575.35956	2.3
591.44098	12.5
592.44189	1.7
609.45099	100.0
610.36304	2.3
610.45349	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	610.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.6
55.09040	1.5
57.77316	1.4
67.05507	6.1
69.07053	1.6
70.93907	2.5
73.04756	47.6
73.05152	3.2
75.02690	2.9
76.75613	1.5
79.05482	6.4
79.64175	1.3
81.07052	4.6
83.04963	1.4
83.42983	1.5
84.66120	1.4
91.05801	100.0
93.07034	4.0
95.04945	1.8
95.08601	3.8
105.07040	3.3
107.08603	3.1
114.07382	9.7
117.52838	1.5
121.10138	1.7
131.08583	2.5
135.11685	2.4
149.04524	7.2
167.05569	31.7
171.11491	1.7
196.10469	1.4
221.08453	6.1
225.04280	7.3
239.09499	43.0
240.09424	2.1
266.99890	7.1
268.97842	17.6
275.20053	1.9
281.05225	2.2
283.03033	8.9
285.00943	34.8
286.01053	2.3
299.06192	37.1
300.06122	2.2
303.02032	4.0
344.97452	11.4
355.06976	94.0
356.07095	10.3
371.10120	4.1
373.08057	9.5
377.16461	1.5
400.98874	3.0
402.96429	6.0
415.03488	6.8
418.99551	10.8
429.35516	1.5
462.22949	2.4
467.37277	2.0
489.05429	4.5
493.04636	2.0
524.44568	1.7
535.15100	1.5
550.28015	3.2
609.29492	3.4
609.45129	2.4
610.20032	2.1
610.29559	12.5
610.38129	3.0
638.02679	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
53.42048	0.9
55.01873	23.8
55.05521	3.0
57.03439	9.1
59.05002	1.4
60.04525	2.4
61.02918	1.2
61.12561	0.8
66.71898	0.9
67.05502	6.0
68.99796	3.5
69.03431	34.0
69.07059	1.8
69.21889	2.6
69.22301	2.5
71.01357	6.2
71.04979	1.1
73.02918	5.7
73.04758	5.3
79.05495	4.8
81.03410	6.5
81.07047	4.5
83.04995	2.3
83.08630	1.4
84.04496	0.9
85.02905	47.6
86.06078	1.7
87.00831	49.2
87.04465	7.4
87.40991	0.9
91.05797	6.6
92.05820	1.1
93.07033	5.4
94.07375	0.9
95.04971	2.2
95.08618	3.1
97.02891	68.8
97.06532	3.3
97.10195	1.2
100.11281	2.8
105.01872	23.6
105.07030	2.4
107.04960	1.7
107.08620	3.1
109.02871	2.5
109.06528	1.3
109.10176	3.0
113.02388	1.5
114.05548	1.7
115.03931	100.0
116.04245	1.6
117.07011	2.3
119.08549	2.5
121.10184	2.0
123.08070	1.1
125.01553	1.7
127.03947	3.3
129.07021	1.1
131.08595	1.5
133.04962	1.3
135.08060	1.8
135.11719	1.1
137.09630	1.8
143.03442	1.5
144.06583	2.2
145.04955	1.4
145.10110	1.8
147.04453	1.1
147.08035	1.1
147.11707	0.9
151.11179	1.8
156.13890	0.8
159.04416	1.0
162.07657	2.5
163.03941	1.9
163.11197	1.3
167.06136	1.0
168.02638	0.9
171.02893	2.4
173.02261	1.2
173.05988	1.1
180.08659	2.3
181.05135	0.8
183.02934	2.9
187.04083	0.9
201.03943	56.9
202.04355	2.2
210.14925	1.0
217.04866	0.9
218.06706	3.4
219.04997	58.7
220.05313	1.2
223.06042	1.2
233.09111	1.1
236.07683	1.9
239.09547	3.1
241.06902	1.4
259.07797	1.0
266.99872	1.0
277.08200	9.9
278.08493	7.3
285.00919	2.6
299.06143	4.1
339.28067	0.9
355.07083	6.4
362.10800	1.2
363.21594	1.5
380.11731	1.7
381.22723	2.5
398.12579	1.4
398.17197	2.8
402.84213	0.9
414.16501	5.0
415.16934	5.4
418.99457	1.3
461.08585	0.9
578.17346	0.9
593.29211	1.3
610.18591	1.2
610.28485	2.6
610.48889	2.8
611.26733	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	610.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59309	2.6
55.01866	16.7
55.05512	37.5
57.03439	19.5
57.07071	4.6
58.22023	2.8
59.05004	5.3
61.45472	2.8
65.03942	6.4
67.05508	77.9
69.03426	4.1
69.07068	31.2
71.04987	4.8
71.29830	4.0
73.04756	16.6
74.78397	2.7
78.34634	2.6
79.05494	82.0
81.03420	22.3
81.07056	95.6
83.01338	10.1
83.04988	28.1
83.08624	25.3
85.02885	5.5
85.06526	4.3
91.05386	44.1
91.05877	10.3
93.07044	91.3
94.07365	2.9
95.04974	27.0
95.08605	37.5
97.02872	4.3
97.06531	17.2
97.10168	8.7
99.04452	5.6
99.08091	5.6
105.07029	44.5
106.07349	3.2
107.04954	16.4
107.08597	45.7
107.13834	2.7
108.76788	2.8
109.06516	15.3
109.10144	14.1
111.04460	5.4
111.08093	8.4
114.07385	5.2
115.05477	5.1
117.07022	27.3
119.08584	38.6
121.06499	9.8
121.10135	29.8
123.08093	13.2
123.11698	3.9
125.06039	2.7
125.09643	7.0
129.07011	6.8
131.08565	24.7
133.10123	24.8
135.08046	10.5
135.11690	34.0
137.09634	6.9
143.08563	3.4
145.10138	33.4
147.08064	6.1
147.11690	15.8
149.09622	11.1
149.13263	12.6
151.11115	4.3
153.12741	3.6
153.24182	3.8
157.10114	8.6
159.11740	16.8
161.13258	5.0
163.11192	38.4
167.05646	4.4
169.10161	3.4
171.11691	3.4
173.09596	5.9
173.13223	6.0
177.12672	4.4
181.12210	7.4
183.11662	4.8
191.10719	3.7
195.13785	7.8
209.11742	11.5
225.04323	3.7
227.12790	11.6
239.09518	9.0
253.14215	3.7
255.15854	14.2
257.19031	9.1
267.15994	3.4
268.97980	4.8
269.17447	25.8
275.20078	29.6
283.15414	100.0
285.00970	7.2
299.06168	7.0
303.01889	3.0
324.76309	3.1
330.09729	3.0
344.97491	4.4
349.23779	15.3
355.07031	27.1
356.06946	6.9
367.24924	3.3
373.08170	5.3
418.99274	3.3
463.27087	28.9
464.27237	4.1
477.28522	86.2
478.28772	9.2
557.34216	10.5
575.35541	4.4
610.46143	4.8
611.24658	4.5
623.08380	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	610.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	14.2
55.05510	34.5
57.03437	16.7
57.07064	3.3
59.04993	4.0
65.03929	4.9
67.05502	58.7
68.05839	3.3
69.03428	2.6
69.07066	26.5
69.08856	16.6
70.23135	1.7
71.01369	2.9
71.04990	8.4
73.04753	5.9
79.05489	65.9
80.05850	2.3
80.53095	2.2
81.03411	15.9
81.07053	72.4
82.32218	1.9
83.01344	8.9
83.04976	26.0
83.08611	21.3
85.02896	6.6
85.06533	5.2
91.05459	58.5
93.07040	72.0
93.07640	4.2
95.04963	18.9
95.08603	30.9
97.02924	3.8
97.06524	16.1
97.10188	6.5
98.23391	4.5
99.08123	4.2
105.07026	39.1
107.04961	12.8
107.08588	34.3
109.06503	13.1
109.10159	8.3
111.04477	2.4
111.08070	8.0
115.05452	4.2
117.07014	21.6
119.08581	33.3
121.06529	6.6
121.10143	20.8
123.08070	12.0
123.11674	3.9
123.26744	1.7
125.05986	2.2
125.09602	3.1
129.07007	6.6
130.07764	3.2
131.08565	22.4
133.10121	15.6
135.08040	6.5
135.11699	26.8
137.09637	5.9
141.07018	1.9
143.08569	4.3
145.10109	28.8
146.10558	2.3
147.08081	4.3
147.11722	6.9
149.09605	10.9
149.13278	7.7
153.12802	3.5
155.08600	2.2
157.10196	3.5
159.11650	8.9
163.11165	34.4
165.12794	2.1
169.10175	2.2
171.11687	3.3
173.09702	5.1
173.13303	3.4
175.11259	2.3
177.12701	4.3
181.12241	4.6
183.11740	2.7
185.13261	2.9
191.10738	4.5
195.13834	7.3
209.11700	9.6
227.12808	6.9
239.17969	2.7
251.16696	2.0
255.16013	11.0
257.19019	8.5
267.15717	2.2
269.17459	11.3
275.20044	26.9
280.94653	2.3
283.15384	75.5
284.15717	3.0
284.23514	2.3
285.01004	2.9
288.87396	2.3
331.22836	2.4
349.23672	15.5
355.07132	6.4
463.26904	21.1
475.26706	2.5
477.28439	100.0
478.28738	8.1
486.76477	2.1
517.31573	2.4
557.34412	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	610.395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
53.20548	0.6
55.01881	5.8
55.05513	11.4
57.00047	0.5
57.03434	5.1
57.07084	1.1
59.04984	0.9
60.09304	0.5
63.83542	0.5
65.03950	1.1
67.05504	13.6
69.03430	2.2
69.07067	10.2
70.06578	0.8
71.04986	2.3
71.08630	11.9
73.04753	2.1
79.05493	15.8
81.03416	5.7
81.07057	14.8
81.75224	0.5
83.01344	3.8
83.04983	6.4
83.08620	7.1
85.02870	1.3
85.06549	1.6
91.05409	8.9
93.07045	15.4
95.04961	8.5
95.08613	7.4
97.02875	1.2
97.06539	2.8
97.10158	3.3
99.04414	0.9
99.08094	7.8
103.05463	0.7
104.75573	0.6
105.07030	8.1
107.04940	5.5
107.08595	8.8
108.05733	1.8
109.06515	4.4
109.10169	3.1
111.04429	0.7
111.08073	1.6
111.11743	1.0
117.07005	4.7
119.08566	6.2
121.06505	8.1
121.10138	5.1
123.04404	0.6
123.08073	4.1
123.11713	0.7
125.09615	3.2
129.07001	1.6
131.08560	3.3
133.10124	3.8
135.08063	2.0
135.11707	5.9
135.17636	0.5
137.09567	0.6
143.08592	1.1
145.10115	6.8
147.08025	1.3
147.11678	1.9
149.09583	1.1
149.13255	1.0
151.11172	1.8
153.12697	1.3
157.10115	1.1
159.11699	1.2
161.13235	0.7
163.11188	9.7
164.11945	1.6
165.12753	1.1
167.05554	1.5
167.10635	0.8
171.11763	0.7
173.09584	1.4
177.12755	1.9
181.12251	1.4
189.11140	1.4
191.10699	1.2
209.11659	3.7
227.12799	2.3
237.14603	0.7
239.09485	1.4
265.21640	0.7
266.62186	0.6
268.97815	0.9
275.19974	4.6
283.15402	34.5
284.15622	1.9
285.00912	1.1
293.21100	100.0
294.21494	6.2
299.06116	1.1
349.23941	0.8
355.06870	3.6
365.87137	0.6
367.24768	16.0
368.25046	1.1
433.52554	0.6
493.27603	1.3
575.35748	22.2
576.35931	2.0
610.45740	1.2
611.40002	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.5
55.01670	2.1
55.01875	21.7
55.05510	40.4
57.03431	12.1
57.07061	5.5
59.04985	3.1
65.03954	2.6
67.05505	72.3
69.03440	5.0
69.07067	20.7
71.04981	7.2
71.08633	4.1
71.28610	2.0
73.04758	6.3
79.05068	4.1
79.05492	51.6
81.03427	21.2
81.07055	69.8
82.07401	2.6
83.01332	9.4
83.04984	18.8
83.08626	17.2
85.02888	3.6
85.06535	10.2
91.05421	51.4
93.07046	57.5
95.04977	18.6
95.08604	41.2
96.08942	2.4
97.02905	2.3
97.06535	11.6
97.10172	6.6
99.04484	3.5
103.05429	2.9
105.07034	47.2
107.04946	20.8
107.08585	35.8
109.06529	13.2
109.10155	32.7
111.08070	4.8
113.09616	2.5
115.05434	5.2
117.07020	16.2
119.08577	25.1
121.06492	7.9
121.10153	21.1
123.04445	3.8
123.08066	16.3
123.11710	5.8
125.09626	6.6
129.07024	5.3
131.08574	15.1
133.06491	3.7
133.10127	35.3
135.08038	6.4
135.11690	16.1
137.09613	8.4
141.08992	2.7
143.08562	8.3
145.10144	19.6
146.10498	3.1
147.11661	8.4
149.09599	8.2
151.11224	21.2
158.26004	2.4
159.11707	7.8
163.11180	34.3
163.14771	2.9
165.09055	5.9
165.12769	4.0
167.05600	6.3
167.25523	2.5
169.12247	3.6
171.11728	5.8
173.09601	4.3
173.13205	2.9
175.11153	3.9
177.12686	3.8
181.12318	4.6
191.10622	3.9
209.11705	6.6
227.12759	5.4
229.19514	3.2
236.14960	2.8
237.04012	2.3
239.09471	5.2
247.20563	5.6
253.14330	43.5
257.17188	3.6
257.19394	3.2
265.21640	2.8
268.97729	2.7
275.20078	50.8
276.20361	3.1
283.15381	100.0
284.15823	3.9
285.00998	4.7
293.21082	16.0
299.06137	8.9
349.23767	11.2
355.07101	12.1
367.24759	25.0
392.19623	3.2
405.20770	3.3
406.21866	2.9
407.21970	2.9
421.23718	8.4
451.21280	3.7
465.22592	8.7
479.26273	14.8
538.25317	3.5
557.34839	12.6
565.27557	3.7
567.29181	3.3
575.35687	28.3
576.36133	5.9
610.26904	20.9
610.37628	35.6
610.45447	7.3
611.28400	38.2
611.37433	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87529	1.8
51.02375	3.8
53.03946	7.7
55.01870	5.3
55.05511	34.0
55.47623	2.1
57.03432	12.5
65.03958	5.3
67.05503	93.9
68.05824	3.6
69.03446	2.6
69.07067	26.8
71.01329	2.8
71.05003	6.2
73.02914	2.2
73.04781	4.1
77.63312	2.1
79.05490	79.2
80.05827	3.3
81.03408	21.2
81.07053	83.5
82.07396	6.2
83.04980	15.1
83.08616	14.9
85.02896	4.4
85.06538	5.7
91.05444	47.4
92.05824	3.9
93.07041	76.6
94.07368	4.6
95.04970	12.0
95.08602	61.9
96.08929	3.7
97.02911	8.6
97.06515	10.6
97.10165	8.3
99.08144	2.8
101.34417	2.4
105.07032	39.6
105.07684	3.5
106.07349	3.8
107.04988	13.3
107.08584	44.0
108.08917	2.5
109.06528	10.6
109.10159	22.0
111.04422	16.5
111.08082	5.1
115.05447	3.9
117.07012	22.9
119.08582	38.3
120.08961	3.1
121.06525	10.4
121.10139	33.2
122.10466	2.5
123.08075	5.9
123.11719	4.2
125.05949	5.1
125.09636	3.5
128.06190	3.2
129.06995	13.0
131.08563	27.6
132.08920	3.1
133.10138	18.6
135.08035	3.3
135.11687	22.9
141.06969	2.9
143.08559	12.4
145.10118	33.6
146.10513	3.4
147.08023	4.1
147.11694	15.7
149.09628	4.7
149.13286	8.2
153.06953	2.8
153.12770	6.7
155.08574	11.7
157.10110	11.0
159.11714	15.1
160.12015	4.2
161.09558	3.0
161.13277	8.1
163.11157	28.5
163.14851	2.8
167.08620	2.4
169.10129	6.1
171.11705	8.9
173.09616	5.6
173.13295	7.2
175.14847	3.6
181.10127	4.8
181.12239	3.6
183.11716	8.1
185.13287	5.5
187.14815	5.5
191.10709	6.6
197.13222	4.2
199.14943	2.3
201.16348	3.6
209.11728	7.8
211.14781	4.4
213.16394	3.6
223.13272	14.4
223.15182	2.5
227.12831	6.1
241.14357	34.9
241.19501	4.3
259.20554	6.7
261.22165	6.0
265.14362	5.9
275.19946	4.3
276.20413	3.4
283.15295	12.1
285.00891	2.8
315.17993	33.0
335.21735	5.0
335.25778	100.0
336.26105	7.0
355.06949	4.8
463.20456	2.9
519.41821	3.6
525.35938	4.9
532.24371	3.2
543.36896	26.9
550.25299	3.9
575.39520	41.3
576.39496	6.2
592.26105	4.5
592.44769	5.4
593.44800	4.3
610.27454	22.7
610.45605	43.5
611.46820	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	611.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	60.3
69.03447	1.2
70.54856	2.3
84.96039	8.6
98.68130	1.2
98.97587	100.0
102.96917	2.2
110.97578	20.7
112.99137	7.0
116.98615	28.3
119.01915	2.7
124.99115	12.5
128.98630	15.7
131.00179	4.1
131.01912	2.1
134.99696	3.6
136.99144	1.6
139.00687	9.2
140.98621	7.5
143.00159	19.5
143.01901	2.0
144.98119	2.2
145.01744	1.9
145.03488	2.6
146.99648	4.7
147.03172	1.5
152.98587	14.6
155.00171	3.3
155.01868	2.6
157.01727	34.2
158.99655	33.1
161.01247	6.6
161.02939	2.4
167.00221	2.7
169.01851	2.0
170.99664	49.2
171.05035	4.8
172.00095	1.9
173.01231	5.3
173.02852	2.5
175.02792	50.3
175.04344	2.8
177.00732	16.6
181.01830	1.8
183.05104	1.7
185.01250	9.0
185.02914	2.3
187.02780	2.9
189.00702	25.3
189.02299	2.1
193.03778	9.5
195.01740	1.4
197.01193	4.9
197.03011	7.6
199.02780	17.3
201.00710	8.9
203.02242	4.6
203.04048	4.2
205.03830	1.7
207.01865	1.7
209.01271	2.1
211.02795	1.5
213.00722	37.8
214.01082	2.2
215.02393	2.0
215.04088	8.8
217.03856	16.7
219.01773	50.7
221.01097	2.2
221.03204	1.3
221.05106	5.3
223.04842	1.8
227.02280	2.5
229.03830	2.7
231.01797	13.1
237.02814	50.6
241.03963	2.1
245.03285	2.2
255.03879	2.7
257.03217	1.6
259.04941	4.7
269.05066	2.4
273.02811	3.9
275.04263	1.8
277.05994	3.5
287.06451	9.8
289.05905	2.8
293.05457	8.8
303.09171	1.4
305.07178	4.8
307.07379	1.6
317.07281	38.1
318.07370	3.9
319.06992	91.8
320.07330	3.8
331.03427	3.1
333.04913	52.7
334.05267	4.7
335.06235	5.2
337.08032	36.1
338.08301	1.8
343.06723	1.7
349.04343	7.6
351.05960	42.8
352.06473	3.0
367.05338	2.0
371.05057	1.4
377.07056	1.6
387.05414	2.5
389.07513	2.4
391.05408	13.6
392.05975	1.7
409.06552	2.0
413.07632	1.6
431.08569	24.3
432.09180	2.0
433.10422	8.4
451.07971	1.8
567.11975	10.0
611.15070	39.3
612.14856	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1601
Annotation	Rutine
Peak:m/z	Relative Intensity
50.08395	0.1
53.03936	0.5
55.01879	0.3
55.05517	0.2
57.03437	1.9
61.02914	0.6
68.99783	0.5
69.03434	1.4
69.43904	0.2
70.26657	0.5
71.04994	12.1
73.02893	0.3
75.04466	0.3
81.03407	0.7
83.04974	0.7
85.02904	15.2
86.03185	0.2
87.04508	0.4
91.03938	0.2
93.03375	0.2
95.04967	0.2
97.02904	1.7
97.64544	0.2
99.04424	0.3
109.02876	0.7
111.00804	0.8
111.04431	0.5
121.02896	0.9
127.03920	1.0
129.05472	3.5
137.02342	2.4
145.04953	0.8
147.04385	0.2
147.06499	1.0
149.02440	0.3
153.00670	0.3
153.01823	3.4
155.04852	0.3
161.06047	0.2
163.03922	0.6
165.01823	1.9
166.02620	0.3
173.05962	0.4
183.02896	0.7
183.04295	0.2
187.03862	0.3
190.18216	0.2
201.05469	1.4
219.06543	0.3
219.99362	0.2
228.04195	0.3
229.04950	4.3
247.06010	0.8
257.04413	2.5
274.04742	0.6
275.05386	0.2
285.03952	1.4
287.05490	0.7
303.04974	100.0
304.05310	7.1
345.05899	0.3
465.10199	0.5
579.21698	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1601
Annotation	Cyanin
Peak:m/z	Relative Intensity
50.59041	0.3
53.03926	0.6
55.01878	0.5
57.03425	0.8
61.02910	1.1
66.95720	0.3
68.99783	0.6
69.03429	3.2
69.28521	0.9
69.28924	0.5
71.04974	0.3
73.02898	0.6
73.04768	0.3
80.05054	0.3
81.03416	1.5
81.24927	0.3
85.02901	12.8
91.03939	0.6
91.05798	0.4
97.02885	4.0
98.22669	0.3
99.04446	0.4
105.03369	0.4
107.04946	0.4
108.15291	0.2
109.02882	1.4
111.00826	0.5
121.02863	3.3
127.03905	2.2
133.02832	0.4
136.55820	0.3
137.02322	0.8
145.04944	2.9
145.06084	0.4
145.06485	0.4
147.04375	0.9
153.01805	4.3
157.06471	0.5
161.02315	0.3
162.11292	0.3
163.05914	0.3
165.01842	1.6
167.03238	0.4
183.02855	1.0
185.05971	0.5
204.35289	0.3
213.05493	1.3
231.06625	0.9
238.09206	0.3
241.04932	0.9
258.05176	1.5
259.05966	0.6
269.04620	0.3
277.08429	0.3
287.05478	100.0
288.05829	5.3
299.05637	1.2
300.06354	0.6
303.05048	1.0
325.07077	0.4
329.06723	1.7
344.68225	0.3
353.06421	0.8
355.06824	0.4
395.07556	0.3
449.10474	0.9
582.15436	0.3
592.38098	0.3
593.25769	0.5
611.20227	0.4
611.48151	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1604
Annotation	Cyanin
Peak:m/z	Relative Intensity
53.03935	0.2
55.01876	0.3
57.03424	0.6
61.02926	1.0
68.38422	0.1
68.99801	0.4
69.03425	2.1
69.93845	0.2
69.94191	0.5
71.04996	1.4
73.02916	0.2
75.04550	0.1
75.06985	0.1
81.03419	1.2
84.04501	0.4
85.02902	6.3
87.04442	0.3
91.03944	0.3
91.05831	0.2
97.02882	1.9
98.23330	0.2
99.04454	0.4
105.03371	0.2
107.04928	0.2
109.02882	0.7
111.00785	0.6
120.62822	0.2
121.02867	2.0
127.03905	1.2
129.05464	0.3
130.05009	0.2
133.02831	0.3
135.04366	0.2
137.02303	1.1
145.04970	0.7
145.06442	0.2
147.04399	0.7
147.07652	0.3
153.01810	3.0
157.06432	0.4
161.06001	0.3
163.03969	0.2
165.01813	1.4
167.79704	0.1
175.50211	0.2
183.02948	0.7
185.06004	0.3
197.06102	0.3
213.05446	1.3
229.04895	0.3
231.06453	0.5
241.04922	0.8
257.04407	0.2
258.05173	0.9
259.05963	0.3
287.05469	100.0
288.05798	5.8
299.05707	0.2
303.04956	5.8
304.05240	0.3
322.28214	0.2
355.06973	0.3
356.07114	0.2
449.10498	5.2
450.11014	0.5
465.10281	0.7
473.09714	0.2
511.08426	0.2
548.15723	0.2
611.19275	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	611.286
Annotation	Unknow
Peak:m/z	Relative Intensity
60.68524	0.4
60.71972	0.4
69.72617	2.1
84.33937	0.5
103.80484	0.4
137.52542	0.5
147.03142	0.4
164.16542	0.5
197.15956	0.5
272.48318	0.5
346.82568	0.5
377.17792	1.8
378.18420	0.6
391.19186	5.1
392.19925	4.4
393.20547	2.0
405.20618	5.2
406.21411	6.0
407.22171	5.0
408.22726	0.6
419.22501	3.1
420.23019	3.6
421.23853	20.5
422.19089	0.7
422.23962	2.8
433.23969	2.1
434.24625	1.9
435.18268	1.9
435.25357	2.8
436.19101	2.1
449.19836	1.5
450.20581	2.7
451.21307	7.7
452.21832	1.4
461.23492	0.8
462.72757	0.5
463.21152	0.7
464.22266	1.0
465.22852	22.0
466.23273	5.2
477.22543	0.8
478.23740	0.6
479.24377	9.6
479.31226	0.5
480.25012	0.9
491.24640	0.8
492.25690	0.8
493.26025	3.1
494.20203	0.7
494.26816	4.3
505.21710	0.6
507.27805	1.6
523.23297	5.1
524.24005	0.8
533.25916	0.9
537.24786	3.5
538.25641	11.1
539.26178	2.1
551.26575	2.4
552.27966	0.5
564.23444	0.6
565.27820	4.0
567.29584	12.1
568.30066	1.5
611.28607	100.0
612.29034	13.0
612.38812	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18121	0.6
63.39075	0.7
67.05473	0.8
69.26298	0.6
70.57195	1.4
72.54454	0.6
73.04713	0.7
81.03381	0.6
81.07011	0.9
83.04942	0.9
90.94186	0.5
93.06991	0.6
94.06498	0.5
97.06493	0.6
105.06948	0.6
107.08552	0.6
107.26783	0.4
122.05966	1.7
124.95731	0.5
125.08719	0.5
125.09566	1.2
134.05664	0.5
151.11165	1.1
161.12888	0.5
164.06920	0.7
166.12177	1.1
172.36136	0.6
196.13255	0.5
200.09492	1.0
201.06573	0.5
202.07411	3.1
215.11696	1.5
217.09683	3.9
227.08130	0.9
228.08940	2.5
233.09145	1.9
235.10846	0.9
243.11198	1.9
259.10751	2.1
261.08685	34.5
262.08951	1.6
271.10721	2.4
286.11887	1.5
287.10239	27.1
288.10507	1.5
320.13812	1.4
336.13330	1.0
338.15005	1.7
349.18048	2.4
350.14841	1.7
363.11917	0.9
364.12851	32.6
364.16541	2.2
364.20355	2.0
365.13269	3.3
366.14499	3.3
378.14346	1.8
378.18671	2.4
379.14957	1.0
380.19690	4.3
382.21429	0.7
392.16000	1.3
393.16837	1.5
394.21262	1.6
398.17038	10.3
399.17282	0.6
408.19128	45.7
409.19424	3.5
412.22131	0.8
424.18570	7.9
426.20081	1.0
438.20218	100.0
439.20483	10.7
456.21509	3.2
457.21985	0.6
474.16309	2.7
474.22357	0.8
575.28589	84.6
576.28967	11.0
579.19623	1.3
593.29523	3.2
611.23724	5.3
638.42670	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73871	1.1
53.03946	5.2
55.01868	2.4
55.05510	23.1
57.03440	7.9
57.07078	4.7
65.03934	2.9
67.05502	63.1
69.07066	23.3
71.04980	2.9
78.92727	0.9
79.05492	46.6
80.06279	1.4
81.07055	64.3
83.04980	2.5
83.08618	9.1
85.06562	2.7
91.05474	38.5
91.06006	2.3
92.05836	1.8
93.07041	49.9
95.04968	5.0
95.08604	46.5
97.06522	4.5
97.10176	5.9
98.23362	3.0
103.05471	2.1
105.04482	2.0
105.07026	39.6
107.08588	30.6
109.10150	19.9
111.08115	2.0
113.09690	1.4
115.05449	2.2
116.06207	1.4
117.07013	18.7
119.08578	39.8
121.06512	1.2
121.10139	23.9
123.08100	1.6
123.11719	4.8
128.06229	3.3
129.06996	17.1
130.07788	1.5
131.08566	31.2
131.09499	2.4
133.10124	28.4
133.11055	1.9
135.11694	13.9
137.09651	1.3
137.13301	1.2
141.07028	3.2
142.07790	3.7
143.08568	16.0
144.09315	1.8
145.10118	26.9
147.11687	25.9
149.13240	6.9
151.11302	1.8
155.08539	8.0
157.10123	15.9
159.11691	24.1
161.13266	18.4
163.11220	2.3
163.14830	4.0
167.08629	1.8
169.10135	10.5
171.11702	14.1
173.13277	14.0
175.14818	9.2
181.10168	3.7
183.11697	9.7
185.13257	11.5
187.14848	8.9
189.16396	3.1
191.18033	1.4
195.11716	2.8
197.13292	9.2
199.14767	8.0
201.16516	3.8
203.17943	1.5
209.13353	2.5
211.14828	4.2
211.28984	1.2
213.16451	4.0
215.18005	3.3
223.14859	2.3
225.16458	3.1
227.18015	1.7
229.19664	1.4
231.21176	2.0
235.14806	1.5
237.16380	2.3
239.18005	4.4
241.19551	9.9
243.21060	1.5
255.21327	1.4
257.19086	5.4
259.20560	19.9
260.20792	1.6
261.22272	4.9
269.18976	1.7
269.22559	1.3
271.20505	1.2
275.20129	2.5
285.22272	1.8
297.22031	2.2
315.23257	3.2
325.25000	1.6
333.24240	13.0
333.27972	1.5
334.24814	1.3
335.25800	19.6
336.26309	1.7
337.27423	2.2
339.26938	1.4
353.28317	1.4
381.31793	1.3
398.24136	1.3
413.30344	1.7
435.32251	1.7
449.34177	1.5
460.96603	1.3
467.34991	1.6
487.33765	1.3
501.41309	1.7
519.42047	7.4
529.39142	1.5
537.43243	5.2
541.38776	1.9
544.47705	1.2
593.45880	7.8
611.46692	100.0
612.47144	12.7
622.46924	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
54.01558	1.3
55.01865	2.9
55.05505	18.5
57.03429	4.6
57.07076	6.3
65.03938	3.1
66.65306	1.3
67.05501	35.0
69.07067	15.5
70.43206	2.1
70.43547	3.2
70.46031	1.4
71.05009	1.6
71.08630	6.3
77.03977	1.5
79.05495	25.7
81.03410	2.0
81.07053	34.9
83.04983	2.6
83.08607	8.8
85.06538	1.8
85.10172	2.2
86.07718	1.5
91.05460	21.0
93.07043	25.8
93.69936	1.2
94.63085	1.2
95.04981	3.0
95.08608	25.9
95.09181	2.7
97.06551	4.6
97.10168	4.4
99.08089	4.1
103.05506	2.0
105.07026	24.8
107.04981	1.7
107.08591	15.6
108.95505	1.3
109.10169	8.7
111.08085	2.0
112.52281	1.5
115.05476	1.3
117.07007	12.6
119.08576	18.4
121.10141	11.2
121.72840	1.4
123.08033	1.9
123.11714	3.6
125.09609	3.0
128.06210	1.4
129.06981	12.3
131.08566	22.1
133.10123	12.8
135.11685	7.3
137.13264	2.4
141.07034	2.9
142.07771	2.2
143.08553	12.4
145.10115	17.4
147.08067	1.5
147.11679	9.5
149.13211	4.0
151.11166	2.4
155.08556	8.2
157.10127	13.4
159.11694	10.6
161.13263	5.4
163.11192	2.2
163.14810	2.3
167.08690	2.7
169.10065	10.2
171.11664	11.7
173.13277	9.5
175.14873	3.5
181.10136	5.1
183.11707	9.8
185.13246	9.6
187.14883	4.6
189.16470	1.6
193.10210	1.9
195.11682	3.3
197.13280	7.4
199.14859	5.4
201.16412	3.7
203.18068	2.1
207.11880	2.0
209.13330	3.9
211.14735	3.0
213.16441	3.3
215.17918	1.9
221.13144	1.5
222.90787	1.3
223.14894	3.2
225.16386	2.5
227.18033	3.4
237.16400	2.0
239.18135	2.1
241.19566	4.1
243.21082	2.5
253.19698	1.9
257.19055	1.9
275.20178	4.0
277.21783	1.8
281.13675	1.7
281.22781	1.7
283.20459	2.3
295.93674	1.5
313.27298	1.6
337.27499	1.5
355.06982	1.9
356.07266	2.4
367.29904	1.7
381.12048	1.4
427.32040	1.6
449.34000	2.6
499.34280	1.9
501.41235	2.1
519.41766	9.7
519.48798	1.8
537.43097	6.8
579.25452	2.9
593.46246	9.5
611.47467	100.0
612.47778	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	611.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48184	1.4
53.03942	5.8
54.00311	1.3
54.81260	1.5
55.01871	3.5
55.05515	23.2
57.03435	6.4
57.07079	5.4
60.48677	1.3
65.03947	4.9
67.05508	61.2
69.07074	18.3
70.18988	1.8
71.08632	3.4
71.99549	1.8
72.32985	1.7
75.04490	2.7
77.34001	1.4
79.05497	44.6
80.96046	1.6
81.03428	3.1
81.07059	60.1
81.07523	3.3
83.05009	2.9
83.08614	10.6
85.06569	1.8
89.06042	3.5
91.05471	43.8
92.05791	1.6
93.07047	49.2
93.07625	3.3
94.07404	1.7
94.27753	1.5
95.04990	6.8
95.08607	49.5
97.06562	4.2
97.10197	4.1
98.23442	3.4
99.08113	1.5
105.07028	38.5
105.07665	2.5
106.07378	2.7
107.05050	2.2
107.08595	27.7
107.69596	1.5
109.06558	2.2
109.10161	17.5
111.08060	2.5
115.05510	2.6
115.25240	1.6
116.06138	1.6
117.07020	16.9
118.62395	1.5
119.08582	34.8
121.10143	22.0
123.08105	2.4
123.11753	5.6
128.06223	3.2
129.07027	14.9
131.08569	29.4
133.08618	1.6
133.10133	28.5
133.11064	2.5
135.11684	14.4
137.09715	2.3
141.07059	4.5
142.07838	2.7
143.08580	18.6
145.10133	27.7
145.16927	1.7
147.11696	18.3
147.12735	1.5
149.13257	10.4
151.59125	1.5
155.08601	7.0
157.10149	18.2
159.11679	20.6
159.12794	1.7
161.13261	13.6
163.14885	3.9
167.08609	2.6
169.10159	8.7
171.11703	15.6
173.13271	12.5
175.11368	1.8
175.14873	6.4
181.10168	2.2
183.11682	7.2
185.13235	13.0
187.14859	8.9
189.16451	2.7
195.11806	3.0
197.13364	6.5
199.14896	8.4
201.16393	2.2
203.18192	2.1
211.14890	3.4
213.16475	5.1
215.18027	1.6
223.15004	2.3
227.18039	3.5
231.21104	1.7
237.16747	1.8
239.17998	3.4
240.77989	1.7
241.19614	5.7
243.21165	2.1
247.40466	1.6
257.19162	5.6
259.20566	20.8
260.20987	2.2
261.22195	3.1
263.23724	1.8
283.20624	2.5
313.27765	2.0
333.24350	9.6
335.25763	18.3
336.26306	2.7
337.27606	2.8
355.07083	2.2
519.41864	6.0
537.43256	5.2
593.26849	2.1
593.45581	9.2
611.28235	8.4
611.46783	100.0
612.46906	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	612.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.9
54.78999	1.2
55.01873	9.4
55.05270	2.1
55.05513	21.1
57.03440	9.3
57.07086	2.1
57.08239	1.2
57.19636	1.2
59.05009	2.1
65.03944	2.0
67.05508	36.6
69.03439	1.6
69.07076	10.5
70.35573	3.8
71.05000	5.0
71.08633	6.0
79.05499	34.4
80.33685	1.2
81.03419	10.0
81.07058	43.8
83.01343	5.9
83.04986	17.5
83.08614	12.0
85.02926	2.8
85.06554	2.0
90.84147	1.2
91.05483	27.3
93.07046	44.2
94.07372	1.6
95.04975	10.6
95.08613	20.2
97.02898	3.2
97.06536	10.0
97.10172	3.9
99.04478	1.4
99.08102	5.3
105.04501	1.5
105.07037	17.5
107.04966	7.5
107.08588	23.8
109.06511	6.9
109.10165	3.5
111.04469	3.0
111.08080	5.0
115.05466	1.3
117.07013	12.0
119.08572	13.5
121.06520	4.6
121.10146	11.5
123.08073	6.9
123.11761	1.9
125.05914	2.1
125.09629	3.5
129.07071	3.1
130.07838	1.8
131.08574	9.7
133.10141	10.0
135.08070	2.9
135.11707	12.8
139.07553	1.4
139.11176	2.5
142.17563	1.4
143.00266	1.3
143.08589	2.9
145.10147	13.6
147.11685	2.4
149.09628	2.7
149.13261	11.2
151.11205	7.5
153.12729	1.6
155.08577	1.9
157.10191	2.5
159.11708	5.1
161.13264	3.0
163.11185	19.3
165.12894	1.3
169.42044	1.3
171.11697	2.6
173.09645	3.7
175.14883	1.4
177.12729	4.0
179.14371	2.8
181.12213	1.6
185.13400	1.3
191.10709	2.5
195.13817	6.2
209.11653	6.8
213.14748	1.5
227.12802	6.8
233.15495	2.6
241.19490	2.9
251.16399	2.3
259.20651	3.8
269.17523	11.0
277.21606	8.7
282.69675	1.2
283.15405	44.0
284.15662	2.7
291.19272	1.4
351.25360	13.4
381.22577	1.8
438.69009	1.3
453.24786	1.6
459.28070	1.4
461.29022	2.3
477.28491	100.0
478.28845	12.8
553.24280	2.9
559.36493	7.2
613.26233	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	612.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24717	1.0
53.03944	4.6
55.01876	9.7
55.05514	25.9
57.03436	11.8
57.07071	4.1
59.04995	2.5
61.35367	1.3
62.29922	1.1
65.03940	2.7
67.05506	50.9
69.03451	2.7
69.07074	17.1
70.56287	3.2
71.05002	7.2
71.08649	6.9
73.04769	1.2
77.03919	1.4
79.05492	48.9
80.05831	1.2
81.03419	14.2
81.07058	57.2
82.07407	1.5
83.01334	9.4
83.04987	18.9
83.08614	17.3
85.02905	2.9
85.06542	4.2
91.05466	34.5
93.07044	58.8
94.07378	1.1
95.04970	16.9
95.08604	23.6
96.00941	1.2
97.02888	2.1
97.06541	10.8
97.10171	4.3
99.04445	1.6
99.08090	6.2
103.05463	1.1
105.04547	1.9
105.07032	23.1
107.04948	8.4
107.08599	32.5
109.06538	11.0
109.10162	8.4
111.04444	1.4
111.08065	6.2
115.05515	1.6
117.07018	14.3
118.07352	1.2
119.08593	18.4
121.06475	6.3
121.10140	20.8
123.08042	9.7
123.11713	2.6
125.06010	1.8
125.09633	3.7
128.06184	1.4
129.07013	4.4
130.07854	2.2
131.08571	14.0
133.06544	1.3
133.10129	13.7
135.08055	4.6
135.11707	15.4
137.09645	2.1
139.11195	2.5
143.08604	1.9
145.06467	1.6
145.10133	17.2
147.08067	4.1
147.11702	4.0
149.09628	3.1
149.13272	14.3
151.11119	8.3
153.12755	3.6
155.08595	2.7
157.10158	4.7
159.11664	7.9
161.13213	2.6
163.11185	27.1
165.12724	1.1
167.10735	2.1
169.10141	1.4
171.11661	1.5
173.09676	3.3
173.13216	3.1
175.11220	1.4
175.14873	2.1
177.12743	4.7
179.14391	1.7
181.12228	5.0
183.11655	2.4
185.13354	1.6
187.14833	1.8
191.10739	2.3
195.12225	1.7
195.13744	7.5
197.13354	1.4
199.14813	2.3
209.11693	7.9
211.13197	1.3
227.12743	6.6
229.14345	1.8
241.19524	1.8
259.20670	1.5
269.17468	24.4
269.76398	1.1
277.21667	10.2
283.15421	54.0
284.15793	2.3
333.24191	1.2
351.25409	7.9
355.06766	1.8
369.26373	1.2
437.25424	4.1
477.28467	100.0
478.28781	8.9
559.36310	4.7
613.33307	3.8
613.41730	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	612.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.5
55.01872	8.1
55.05511	23.6
57.03435	11.8
57.07081	7.4
67.05506	63.5
69.07074	27.4
69.25074	23.6
71.05005	3.9
71.08633	4.7
73.04759	3.3
75.04478	11.3
78.43713	2.8
78.56111	2.7
79.05496	41.1
81.03414	19.7
81.07053	70.1
83.04975	12.9
83.08611	14.6
85.06530	3.1
85.10191	3.4
89.06027	3.7
91.05460	28.0
93.07048	37.7
95.04970	13.9
95.08610	48.8
97.02885	8.0
97.06542	9.0
97.10198	10.4
105.07041	24.9
107.04975	9.2
107.08586	25.1
109.06464	4.8
109.10137	20.2
111.04478	15.5
111.08048	3.6
117.07007	14.4
119.08591	23.5
121.06493	5.0
121.10165	17.4
123.08076	6.4
123.11741	7.9
125.06028	5.4
125.09618	4.6
129.06970	6.9
131.08563	14.7
133.10138	12.2
135.11736	15.8
135.43047	3.1
137.13223	4.4
143.08586	5.3
145.10127	19.6
147.11742	5.6
149.09685	3.5
153.12724	6.2
155.08482	5.4
157.10172	4.2
161.13281	6.9
163.11163	21.7
163.12263	2.7
171.11731	4.8
171.99858	2.8
173.09647	6.1
173.13301	6.1
175.14911	3.3
181.12230	5.1
191.10732	8.7
209.11787	11.2
210.14514	3.9
216.00314	2.9
223.13316	13.0
227.12840	9.8
241.14313	27.3
263.23642	3.1
265.14423	5.7
283.15399	12.2
313.27191	4.2
315.17978	36.5
337.27374	100.0
338.27820	9.2
538.25317	4.5
545.38239	41.6
546.38806	5.1
577.40948	52.7
578.41107	4.0
612.28577	14.5
612.40173	5.7
612.47302	9.3
613.47968	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	612.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.6
55.01869	11.8
55.05513	38.0
57.03438	21.7
57.07069	5.7
59.05011	4.6
64.13984	1.5
65.03929	2.1
67.05504	92.1
68.05840	3.1
68.98796	8.0
68.99231	6.6
69.07066	38.0
71.01357	3.7
71.04985	9.1
71.08637	2.6
77.03962	1.8
78.49663	1.8
79.05494	58.7
80.05833	2.5
81.03419	32.1
81.07059	95.8
82.07365	3.7
83.01350	3.2
83.04979	19.0
83.08611	20.9
85.02911	9.0
85.06557	5.5
87.04437	2.4
91.05478	45.5
91.06011	2.9
93.07040	56.2
94.07401	4.4
95.04972	15.3
95.08607	64.3
96.08916	2.4
97.02885	12.0
97.06540	19.7
97.10162	9.6
99.04454	3.4
99.08123	3.7
105.04537	1.9
105.07037	28.6
105.40768	1.5
107.04942	18.5
107.05511	1.7
107.08590	32.0
108.08920	2.6
108.53130	1.6
109.06519	12.6
109.10143	23.5
111.04444	36.5
111.08088	6.1
111.11710	1.8
113.06013	2.5
115.05533	2.6
117.07037	18.1
119.08582	30.6
121.06498	11.3
121.10147	24.3
123.08029	10.2
123.11691	9.4
125.06004	10.4
125.09624	4.0
126.12051	1.7
129.07005	9.5
131.08566	16.3
133.10150	12.4
134.10480	2.5
135.08084	4.9
135.11678	19.7
137.05984	2.2
137.09615	3.7
143.08588	6.1
145.06493	2.8
145.10123	34.3
146.10448	2.1
147.08063	5.5
147.11691	9.7
149.09657	2.9
149.13257	2.7
153.12743	8.8
155.08589	5.9
157.10191	4.2
159.11710	4.4
161.09636	2.5
161.13281	5.0
162.13593	1.8
163.11182	38.1
163.12502	3.2
163.14885	3.1
169.10152	2.2
173.09601	11.9
173.13249	2.4
177.12718	1.8
181.12270	5.8
185.13341	1.8
191.10626	10.0
194.13206	1.7
199.14835	1.8
200.15071	2.1
200.17403	1.6
209.11702	17.5
223.13284	32.8
227.12764	13.6
241.14334	59.0
242.14760	3.0
245.22740	1.9
263.23828	4.8
265.14404	6.7
283.15384	27.4
284.15787	3.3
307.06430	1.7
313.27515	1.8
315.18002	58.8
316.18405	5.4
334.24039	1.8
337.27356	100.0
338.27670	8.7
453.33701	2.5
527.37140	6.0
545.38373	44.6
546.38599	5.5
577.32416	2.9
577.40967	35.0
578.41296	5.8
594.39185	3.1
612.47473	14.7
613.48151	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	612.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.9
55.01868	1.9
55.05509	1.7
57.03442	4.3
57.07075	5.8
58.06600	34.0
59.07383	8.7
60.08165	8.7
67.05505	4.7
69.07070	2.4
69.79984	0.8
71.08631	3.2
75.04489	2.8
79.05496	4.2
81.03435	1.1
81.07056	4.4
83.04989	1.0
83.08633	2.3
85.02916	1.7
85.10199	2.2
87.04485	4.4
91.05495	3.4
92.05819	0.8
93.07047	13.0
95.04974	1.9
95.08605	6.1
98.22538	1.8
99.08139	1.1
102.05577	1.3
105.07072	2.3
109.06505	1.1
109.10164	2.0
111.08099	2.1
113.06046	1.5
117.07075	1.3
119.08527	1.8
121.10151	2.2
129.06978	1.1
131.07074	1.2
131.08618	1.0
133.10138	1.4
143.08539	0.9
144.10199	13.6
144.91425	1.0
149.09648	0.9
157.10124	0.9
162.11269	4.3
202.15965	1.6
218.13899	0.9
220.17081	1.6
236.14917	73.3
237.15326	2.0
287.64304	0.8
300.13724	1.0
313.27383	0.8
319.68091	0.8
356.20825	2.8
374.21664	10.7
375.22073	1.4
414.10831	0.9
433.64017	0.9
439.70233	0.9
456.36923	4.3
474.37943	10.7
491.70517	0.9
612.44727	100.0
613.45221	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	613.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07006	0.9
56.57222	0.8
56.96567	45.1
58.94051	0.7
58.96165	0.7
60.95832	0.9
70.32608	1.5
70.32947	1.3
71.95248	1.5
84.96040	6.9
85.02911	1.2
90.12897	0.7
97.02917	1.2
98.97585	74.6
99.97926	1.7
101.00896	2.0
102.96902	2.4
108.99681	1.4
110.97565	9.6
112.99130	4.5
113.00850	1.3
115.02412	2.2
116.98619	20.5
119.01910	2.0
120.97961	0.9
124.99130	3.6
127.00667	1.8
128.98610	6.2
129.02284	3.8
129.03972	0.9
131.00177	3.3
131.01938	1.9
133.03448	4.3
134.99667	2.7
139.00655	2.8
140.98578	12.5
141.03952	0.9
143.00156	6.0
143.01959	2.4
145.01668	0.9
145.03491	1.7
146.99673	1.8
147.03267	3.4
147.05016	0.8
149.01273	1.3
152.98595	31.2
155.00244	1.3
155.01900	2.5
157.01718	7.6
157.03493	2.1
158.99657	40.9
159.03244	4.7
159.05075	1.9
161.01253	3.2
161.02931	1.7
162.98990	1.7
169.01938	0.9
169.03505	1.1
170.99657	100.0
171.05048	2.8
172.00009	3.3
173.01363	1.6
173.02997	2.7
173.04713	1.3
174.99007	2.7
175.02797	12.7
175.04390	1.5
177.00725	22.7
177.04375	8.7
177.05939	1.3
179.02029	1.2
183.05003	1.6
185.01376	1.2
185.02876	1.5
187.02821	1.8
187.04468	1.4
189.00710	51.7
190.01033	1.5
193.03864	2.7
194.01326	1.0
195.01836	1.3
195.05351	2.2
197.01286	1.0
197.02991	2.0
199.02765	5.5
199.04419	1.2
201.00655	6.5
201.04401	1.4
203.02287	1.7
203.04030	2.6
207.01801	2.3
212.02090	1.0
213.00710	85.8
214.01100	3.0
215.04085	2.0
217.00085	1.9
217.03824	4.0
219.01768	24.9
219.05203	1.6
219.07147	4.3
220.02097	1.0
221.05087	4.2
223.04807	1.4
229.03775	1.0
231.01775	39.2
231.07077	4.6
232.02255	1.6
233.08820	1.2
235.28917	0.9
236.85736	0.8
237.00726	1.5
237.02824	27.3
238.02991	1.1
239.02762	0.9
245.05174	4.2
254.03288	0.9
255.07095	1.8
259.04898	2.5
271.05246	0.9
273.02859	6.9
273.08234	1.7
277.05826	1.9
285.03104	1.3
289.06076	3.5
293.05539	1.7
303.04007	3.1
303.09338	1.2
307.07025	2.6
317.07199	3.4
318.07138	1.9
319.06943	37.2
320.07260	2.6
321.10254	16.7
322.10461	1.3
333.04898	95.4
334.05167	4.6
335.06119	2.5
337.04285	3.9
337.08124	14.4
338.08557	1.0
339.09338	6.0
351.05984	92.3
352.06500	5.1
353.07175	2.3
355.05270	2.1
374.07654	1.5
379.09128	2.0
385.06058	1.8
389.07529	3.7
393.06271	1.0
433.10202	65.5
434.10464	5.7
435.11475	2.2
437.17148	0.9
453.09610	1.0
569.13745	2.9
613.16614	27.9
614.16833	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	613.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10984	0.2
53.03937	0.7
55.01878	1.3
55.05511	3.3
56.05837	0.3
57.03430	0.8
57.07077	0.4
59.04998	0.7
65.03932	0.4
65.59231	0.2
67.05506	4.8
68.05840	0.3
69.03436	0.5
69.07066	2.0
69.18176	1.6
69.20543	0.2
71.04985	0.7
71.08627	1.0
77.03902	0.2
79.05495	4.8
81.03414	1.3
81.07063	5.0
82.07397	0.4
83.01341	0.6
83.04994	1.5
83.08618	1.8
85.02909	0.3
85.06554	0.6
90.99012	0.2
91.05479	3.9
93.07044	4.9
93.14976	0.2
94.07394	0.4
95.04973	2.2
95.07603	0.2
95.08618	3.1
96.08945	0.5
97.06537	1.2
97.10178	1.0
99.08125	0.9
99.54778	0.2
103.05473	0.4
104.72349	0.2
105.04547	0.4
105.07028	3.8
106.07387	0.4
107.04951	0.9
107.08591	3.1
108.08931	0.3
109.06522	2.8
109.10172	1.4
111.08074	0.6
113.06068	0.2
115.05486	0.3
117.07030	1.6
119.08587	3.5
120.08955	0.4
121.06492	0.7
121.10145	2.7
123.08072	1.2
123.11721	0.3
125.05990	0.4
125.09652	1.1
128.06239	0.4
129.07030	0.9
131.08583	1.6
132.08076	0.3
133.06468	0.3
133.10123	2.2
135.08060	1.0
135.11694	1.2
137.09596	0.6
139.11179	0.4
141.07051	0.4
142.07831	0.2
143.08565	1.3
145.06537	0.4
145.10112	2.5
147.08095	0.7
147.11714	0.6
149.09619	1.2
149.13257	0.5
151.07552	0.4
151.11197	0.7
155.08585	0.6
156.09367	0.5
156.25221	0.2
157.10095	1.4
159.08031	0.4
159.11720	1.0
161.09608	0.5
161.13303	0.5
162.09119	0.2
162.13608	0.2
163.11165	1.9
164.11552	0.4
165.09172	0.6
167.10606	1.1
169.10190	0.6
171.11765	0.8
172.03915	0.4
173.09650	0.8
173.13333	0.7
175.11243	0.3
175.14828	0.4
177.09337	0.2
177.12747	0.5
179.08528	0.2
179.14465	0.3
181.10167	0.4
181.12274	0.5
183.11746	0.4
185.13237	0.4
187.11183	0.3
187.14824	0.5
189.11304	0.3
189.12790	0.3
191.14282	0.4
193.12325	0.2
195.11702	0.3
197.13261	0.4
198.31874	0.2
199.14851	0.4
201.12762	0.4
203.14381	0.4
204.06569	0.3
207.11737	0.6
207.13783	0.4
209.11676	0.4
211.08646	0.5
213.12933	0.3
213.16399	0.3
215.14386	0.3
221.10944	0.3
221.13405	0.4
221.15404	1.1
225.10364	0.3
225.12643	0.3
227.12825	1.8
228.13136	0.4
233.13359	0.3
233.15550	0.5
237.10251	0.5
237.12753	0.3
239.14301	0.4
247.14731	0.3
247.17073	0.4
249.10304	0.7
251.11931	0.3
261.10211	0.3
263.11841	0.3
263.14359	0.3
265.09659	0.3
265.13297	0.3
274.13507	0.3
275.20178	0.4
277.21747	0.9
283.15311	2.0
284.15729	0.4
288.11331	0.3
290.12863	0.4
293.21143	0.6
294.21368	0.3
312.14709	0.4
314.13004	0.3
323.14063	0.4
326.16687	0.2
337.15088	0.4
338.15329	0.4
339.16376	0.3
340.13965	0.5
340.18103	0.3
341.14993	0.3
350.16327	0.3
351.16129	0.4
351.25427	0.8
352.13547	0.3
352.17639	0.3
352.25644	0.5
353.17670	0.9
354.16226	0.4
365.13962	0.5
366.14694	1.2
367.15863	1.1
367.19452	1.3
378.15222	0.3
379.15601	1.0
380.16470	0.8
381.16992	3.0
381.21182	0.3
382.17831	1.0
382.22720	0.4
383.18839	0.4
390.18326	0.3
391.19571	0.3
393.17102	0.9
394.13553	0.3
394.17981	0.7
395.14929	0.6
395.18909	4.1
396.14453	0.2
396.19458	4.9
397.16016	0.2
397.20154	1.4
407.14572	0.4
407.19299	0.3
408.15253	0.5
408.19617	0.8
409.15707	2.4
409.20474	1.6
410.21600	1.6
411.22009	2.7
421.16296	0.5
421.21072	0.4
422.13260	0.5
422.21979	0.3
423.17596	3.8
423.22574	1.1
424.18655	4.4
425.19553	1.3
433.20419	0.4
435.18170	0.5
436.15237	0.7
436.19843	0.4
437.16052	2.3
437.20352	1.2
437.25217	0.5
438.20874	2.6
438.25696	0.4
439.21268	5.8
440.21945	0.9
441.23047	0.3
448.19073	0.4
449.19781	1.3
450.15955	0.3
450.21100	0.4
451.16721	3.8
452.17825	2.4
453.18671	1.2
454.24557	0.5
454.65665	0.3
455.20547	0.5
462.29105	0.3
464.17889	0.4
465.18979	1.2
465.23648	0.8
466.19690	4.8
467.20615	3.5
469.22305	0.4
477.28445	2.4
478.20447	0.3
478.28860	1.7
479.20996	2.9
480.21268	0.7
481.22263	0.3
482.23138	2.0
483.24127	1.3
493.22528	1.8
495.20267	0.6
497.18179	0.5
497.25357	1.6
507.24039	0.4
508.23901	0.3
509.26151	0.3
510.22583	2.2
511.19806	1.1
512.24469	0.5
521.21655	1.0
523.19226	0.4
524.20752	0.5
525.25061	10.7
526.25391	1.2
535.23236	0.9
536.23560	0.6
538.22150	2.8
539.22552	1.5
549.21533	0.3
553.24457	19.5
554.24432	2.2
559.36603	0.3
560.36859	0.6
566.21576	0.4
581.24005	1.1
581.39148	0.3
584.22864	0.5
585.26862	0.4
595.25531	0.3
595.40430	0.3
598.23566	0.5
613.26514	100.0
613.42395	2.5
614.26849	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.1
55.01865	5.4
55.05515	26.3
55.74073	3.6
57.03429	6.5
57.07075	17.3
59.04999	28.6
59.30472	3.6
65.03948	4.7
67.05499	44.8
67.84900	3.8
69.03431	11.8
69.07053	17.6
71.05000	7.0
71.28987	5.0
79.05496	47.5
80.05825	4.5
81.03411	8.0
81.07045	59.7
83.04991	24.4
83.08604	7.3
85.02859	3.7
85.06553	14.8
91.05448	57.4
92.05793	5.8
93.07041	60.8
95.04971	44.8
95.08611	55.4
97.02878	4.3
97.06525	21.5
99.08101	6.8
103.05437	8.2
105.04491	4.5
105.07030	100.0
107.04968	7.1
107.08600	52.7
109.06506	20.4
109.10163	23.7
111.08089	9.0
115.05458	8.7
117.07011	30.7
119.08570	62.1
121.06501	16.4
121.10135	56.2
123.08060	29.6
123.11670	7.5
125.06003	19.7
125.09621	10.9
128.06221	11.2
129.06998	16.4
130.07758	9.4
131.08580	33.0
133.06508	8.5
133.10133	54.3
135.08046	19.7
135.11703	25.3
137.05957	5.7
137.09624	17.4
141.06946	8.4
142.07784	14.6
143.08553	31.7
144.09377	9.1
145.06453	5.3
145.10121	61.6
147.08020	15.5
147.11697	13.7
149.05965	11.0
149.09616	24.5
151.07515	24.1
151.11205	6.9
153.07019	8.0
153.09155	6.0
155.08580	15.8
156.09309	12.8
157.10133	36.1
158.10730	4.0
159.08043	12.2
159.11696	20.0
161.09685	19.6
161.13286	8.3
161.42746	4.0
163.11157	55.1
165.06992	4.7
165.09155	18.7
167.08524	10.5
167.10696	15.9
168.09320	6.4
169.10138	23.7
170.10857	5.4
171.11693	23.8
172.12291	6.5
173.09624	7.9
173.13266	20.8
175.11244	8.8
175.14877	8.7
177.09093	4.1
177.12708	5.2
179.08540	11.1
180.09375	6.5
181.10155	15.1
181.12201	42.5
182.10892	12.5
183.11716	20.0
185.09613	7.5
185.13223	12.5
187.11176	7.7
187.14848	6.5
189.12741	12.7
191.14285	10.8
193.10159	10.0
193.12148	4.2
194.10893	5.8
195.11726	22.7
196.12450	5.4
197.13252	22.7
199.11273	4.4
199.14804	8.8
201.12766	5.3
201.16324	5.3
203.14206	9.7
207.11674	14.2
207.13695	5.4
209.13226	13.7
209.15254	8.0
211.11209	8.1
211.13109	6.6
211.14914	9.2
213.12828	5.5
213.16447	7.9
215.14314	14.3
221.13315	7.6
221.15234	34.1
223.14832	6.3
225.16309	7.3
227.14363	4.9
229.15919	5.2
231.13916	5.6
233.13307	7.3
233.15399	9.1
234.16167	5.0
235.14824	4.4
237.12657	4.8
237.16328	8.1
239.17950	17.0
241.15819	5.7
247.16930	11.7
257.13379	4.5
261.16260	4.2
263.16443	5.8
267.17715	4.6
269.19171	5.1
271.20575	37.7
279.17285	4.1
325.21606	4.5
341.10202	5.5
343.22668	43.9
344.23218	5.7
405.27930	4.9
489.09753	5.5
525.37384	5.4
557.36578	4.6
563.38531	7.1
581.39777	26.4
595.41150	6.4
613.42523	61.3
614.36261	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	613.4822
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.02387	0.7
51.06266	0.7
53.03948	3.2
53.16925	0.7
55.01874	1.7
55.05243	1.0
55.05514	26.9
57.03447	7.5
57.07074	5.9
65.03942	2.7
67.05507	69.6
68.05835	0.8
69.03416	1.2
69.07070	21.3
70.94476	1.5
71.05016	1.8
71.08649	2.1
79.05493	41.4
79.15961	0.8
80.05854	1.5
81.07058	74.6
83.04983	2.3
83.08624	12.4
85.06545	2.4
91.05482	33.6
92.05804	1.6
93.07046	48.9
95.04977	3.0
95.08609	61.8
97.06521	5.1
97.10161	6.6
99.08097	1.9
103.05478	0.9
105.04550	1.2
105.07031	34.7
107.07863	1.7
107.08594	33.4
109.06522	2.0
109.10156	29.5
111.08094	0.9
111.11744	1.8
115.05473	1.6
117.07018	12.2
119.08587	32.4
121.10147	25.3
123.08103	2.1
123.11717	11.5
125.09619	1.2
127.07626	0.8
128.06252	1.9
129.06998	5.9
130.07750	1.1
131.08565	23.1
131.09483	1.2
133.10139	27.2
134.10471	1.4
135.08110	1.2
135.11691	19.4
136.12128	0.9
137.13234	4.2
139.11198	1.1
141.07056	1.6
143.08583	6.4
144.09291	1.4
145.10112	22.4
147.11685	20.4
148.12007	0.9
149.09573	1.0
149.13260	12.2
151.14861	2.0
155.08545	2.1
157.10162	7.1
157.22728	0.8
159.11697	18.5
159.12997	1.4
160.12204	0.8
161.13264	15.3
163.11176	1.0
163.14809	5.5
169.10159	3.4
171.11682	7.4
173.13269	14.9
173.14618	1.1
175.14824	8.2
177.16490	2.7
181.10147	1.4
183.11739	2.6
185.13263	7.4
187.14804	9.3
189.16397	3.9
191.17976	1.4
197.13312	3.0
199.14914	4.3
201.16425	3.5
203.18028	2.1
211.14841	1.4
213.16454	2.7
215.18022	1.9
217.19550	2.2
219.17514	0.9
219.21107	0.9
225.16484	1.5
227.18071	1.6
229.19499	0.9
231.21188	1.6
233.18918	1.2
237.16304	1.3
239.18170	1.0
241.19765	4.5
243.21144	2.6
245.22627	0.9
247.20728	1.2
259.20590	11.6
260.21054	0.9
261.22147	15.0
262.22534	1.3
263.23788	1.9
271.20624	1.3
273.22089	1.5
275.20279	1.3
275.23758	1.0
277.21811	1.3
279.23563	1.0
285.22006	1.8
287.23721	1.2
288.24078	0.9
299.23846	2.8
301.25452	1.0
303.23688	0.9
313.25143	1.3
315.23172	1.9
315.26651	1.0
317.24811	1.8
323.25873	1.0
333.24265	7.1
335.25787	21.8
335.37546	0.9
336.26184	1.4
337.27438	9.0
342.58084	0.8
349.27335	0.8
353.27551	1.0
355.30084	1.4
361.27469	1.2
437.33951	1.0
449.32742	0.8
475.34320	0.9
485.36597	0.8
489.35974	1.6
503.36505	1.4
503.43222	1.5
517.39020	1.7
521.43494	5.3
522.43628	1.2
531.41156	0.9
539.44806	4.0
543.40753	2.2
577.46136	1.1
595.47302	11.2
596.47632	1.7
613.48260	100.0
614.48651	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	614.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.6
55.01857	9.6
55.05503	15.5
57.03423	7.5
57.07064	14.6
59.04996	4.5
65.03952	4.1
67.05511	43.8
69.03423	7.4
69.07081	24.5
71.08630	7.5
75.04469	17.4
75.44147	3.5
79.05492	39.0
81.03424	23.9
81.07059	57.1
82.01161	3.9
82.07390	4.2
83.04977	22.7
83.08618	24.6
85.06535	8.4
87.04427	4.5
89.06028	12.1
91.05486	44.5
93.07050	49.2
95.04969	57.4
95.08612	47.4
97.06532	10.5
97.10152	6.0
98.23421	5.8
105.07030	58.2
107.04935	6.5
107.08586	51.8
109.06505	15.7
109.10150	27.2
111.04383	6.0
111.08054	8.0
115.05454	9.5
117.07012	17.9
119.04941	6.9
119.08585	57.5
121.06498	14.5
121.10147	33.7
123.04450	5.5
123.08079	29.8
123.11710	8.4
125.05979	26.6
125.09624	9.1
128.06219	17.4
129.06981	22.9
130.07797	7.2
131.08556	24.1
132.09373	5.6
133.06506	8.7
133.08621	12.9
133.10158	24.6
135.08044	18.1
135.11682	17.2
137.05966	13.7
137.09619	7.6
141.06935	9.8
142.07741	16.7
143.08556	48.7
144.09271	8.4
145.06517	10.8
145.10124	62.8
147.08080	8.5
147.11696	9.9
148.08821	5.5
149.09619	9.8
151.11131	4.7
153.07010	5.6
155.08559	23.6
156.09343	14.3
157.10139	37.7
158.10892	15.7
159.07961	8.3
159.11659	21.9
161.09586	15.7
161.13290	4.4
163.07524	6.6
163.11200	33.0
165.09137	7.6
167.08591	11.9
167.10719	7.7
169.10147	21.4
170.10892	4.3
171.08047	5.9
171.11674	27.2
173.09676	13.0
173.13222	10.1
175.11182	7.1
177.11266	5.4
179.08600	11.7
180.09349	6.9
180.21054	4.0
181.10144	19.1
181.12228	19.4
182.10944	3.9
183.11618	21.7
185.09618	7.2
185.13194	12.6
187.11174	9.2
187.14847	7.3
188.11850	5.3
189.09129	6.0
189.12668	8.1
191.14281	9.9
192.09312	5.3
193.10103	14.8
193.12256	7.7
194.10892	7.2
195.08252	4.2
195.11728	14.6
196.12137	5.8
197.09642	6.0
197.13239	10.6
198.10352	4.6
199.11191	21.1
199.14668	5.9
201.09146	7.8
201.12787	5.1
203.10661	5.3
205.10072	7.0
206.10931	11.9
207.11684	16.1
207.13692	6.2
208.12212	4.9
209.09666	6.2
209.13264	17.8
211.11150	10.1
211.14679	5.6
213.12840	6.9
215.10645	5.7
216.11383	8.5
218.10814	4.6
220.12376	5.4
221.13315	16.2
221.15401	9.5
225.12744	5.0
227.10829	6.2
227.14313	13.1
229.12207	5.4
231.11732	5.9
233.13252	7.9
235.11049	5.9
235.14827	10.4
237.12703	6.3
241.14436	7.2
245.13182	6.1
245.15475	7.2
246.13994	4.3
251.14287	5.6
253.15924	7.3
263.14285	4.9
267.15860	15.4
273.18625	27.3
275.14166	6.3
279.17282	4.7
286.19263	7.7
291.17572	4.6
299.20114	5.1
305.17480	19.0
313.27383	12.8
315.18112	6.9
331.19049	28.9
337.21603	5.2
337.27271	17.8
339.28830	22.8
352.23972	92.4
353.24472	7.9
384.22986	48.4
385.23517	5.9
397.23401	9.3
415.25146	7.2
419.98154	5.3
444.30075	9.3
465.22440	4.5
476.29233	41.8
477.29770	6.3
529.38806	9.9
547.39795	14.3
579.42108	9.4
593.67145	4.5
614.30383	8.2
614.39496	100.0
614.47968	12.3
615.40112	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	614.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69614	6.8
55.01855	10.7
55.05502	28.0
57.03431	15.6
57.07080	53.1
67.05500	53.8
68.99152	60.5
69.07082	32.2
71.08631	40.5
79.05502	44.7
80.61244	6.7
81.03412	19.0
81.07074	58.1
83.04975	11.2
83.08628	26.0
85.02931	6.2
85.10190	18.1
88.41711	6.8
89.06026	43.0
91.05457	46.7
93.07028	34.1
95.04944	9.6
95.08618	53.5
97.06544	13.3
97.10168	8.3
98.23351	17.8
105.07045	63.3
107.04984	27.3
107.08627	15.1
109.06498	9.9
109.10168	21.3
115.05453	11.2
117.07019	17.4
119.04949	6.1
119.08585	30.4
121.06532	12.8
121.10157	24.7
123.08109	14.9
123.11640	8.8
124.12093	7.3
125.36628	6.6
129.07004	27.6
131.08601	25.5
133.06488	33.8
133.08606	26.7
133.10159	19.1
135.08043	10.6
135.11685	7.5
143.08601	12.1
145.10150	18.2
147.08002	8.3
147.11711	13.2
149.09598	14.2
157.10201	11.6
159.11705	7.2
163.11203	8.1
171.11722	30.3
173.09660	8.4
189.12807	17.9
199.11215	16.5
217.12268	23.1
228.82333	6.2
235.13306	13.9
309.17023	7.9
313.27350	100.0
314.27890	8.4
339.29102	7.0
341.19510	26.6
415.25269	8.9
547.39734	39.0
579.42560	18.9
614.49078	31.6
614.57648	7.0
625.13062	8.2
637.59454	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	614.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.1
55.01874	6.9
55.05514	30.6
57.03437	11.4
57.07081	7.5
59.04993	3.1
65.03949	2.2
67.05502	40.8
69.07069	35.3
69.75202	5.0
69.75531	1.3
71.01344	3.6
71.04994	7.2
71.08623	5.6
73.75081	1.4
76.49535	1.3
77.03963	1.4
79.05494	32.3
81.03414	25.6
81.06585	2.5
81.07056	42.0
83.01341	3.2
83.04977	10.5
83.08617	23.9
85.02895	6.6
85.06551	4.8
89.06030	5.4
91.05454	17.5
93.07037	39.9
95.04961	11.1
95.08607	31.3
95.09229	1.4
97.02882	9.4
97.06538	10.4
97.10172	13.7
99.04459	2.9
105.07038	9.9
107.04946	14.3
107.08598	19.1
109.06533	9.6
109.10149	11.1
111.04436	25.3
111.08080	4.3
111.11702	3.1
113.06026	2.1
117.07026	8.8
119.08596	12.9
121.06507	8.7
121.10140	17.7
123.08067	6.7
123.11749	3.0
125.05972	4.7
125.09628	4.6
129.07047	3.8
130.07768	1.9
131.08562	8.1
133.08604	3.5
133.10164	4.0
135.08070	3.5
135.11662	18.7
137.09689	1.2
145.10117	22.3
146.10617	1.4
147.08031	4.3
147.11662	1.8
149.13255	2.3
153.12759	8.0
155.08583	4.1
163.11174	24.8
163.14888	1.6
169.06755	1.3
173.09589	7.8
177.11224	1.6
181.12242	5.1
189.11143	1.3
191.10670	9.5
209.11711	14.4
217.34790	1.6
223.13287	21.8
227.12773	12.7
241.14351	49.0
242.14719	1.7
253.43399	1.5
254.18335	1.4
262.25406	2.3
265.14304	9.1
265.25262	4.5
283.15396	23.8
284.15686	1.6
293.71777	1.3
297.16840	2.6
315.18002	52.8
316.18362	2.7
337.27609	1.6
339.28918	100.0
340.29480	6.7
347.69406	1.4
359.06821	1.3
426.93359	1.4
529.38574	7.9
537.20990	1.3
547.39880	49.5
548.40509	6.5
579.42487	42.7
580.42883	4.3
614.48059	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	614.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	14.8
55.05511	44.0
57.03427	14.1
57.07074	48.4
67.05511	89.4
68.05840	12.4
69.07068	52.4
70.44395	30.1
71.04997	14.1
71.08624	61.3
79.05508	50.5
81.03409	27.2
81.07066	93.1
83.04998	18.9
83.08646	38.4
85.10207	16.0
89.06023	100.0
91.05479	76.8
93.07032	60.9
95.05030	29.3
95.08085	18.1
95.08596	74.8
96.08955	15.1
97.02901	13.9
97.10161	14.1
99.08117	29.3
101.24159	11.8
105.07053	70.2
107.04971	28.6
107.08617	54.4
109.06532	16.8
109.10159	34.0
111.04470	18.5
115.05502	14.9
117.07048	45.5
119.08579	66.8
121.06506	22.4
121.10162	71.4
123.08075	17.1
123.11740	17.6
129.06981	15.4
131.08582	56.7
133.08626	53.4
133.10141	33.6
135.08113	17.7
135.11702	29.5
140.91316	12.6
143.08632	21.0
145.10152	63.9
147.08119	21.5
147.11659	26.8
151.11174	25.4
155.08453	16.2
157.10143	25.1
159.11656	23.0
163.11171	16.9
169.10085	14.1
171.11719	17.9
177.11278	21.3
195.11684	18.0
196.78008	12.9
199.11317	16.1
238.17892	14.1
241.14369	17.7
311.25711	27.1
313.27319	22.1
315.18094	22.6
339.29028	79.3
415.25430	35.3
547.40021	29.5
579.42065	39.9
586.18146	14.9
597.39374	29.1
614.48694	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	614.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	1.2
53.13468	0.5
55.01830	1.4
55.05503	3.7
57.03390	3.8
57.07078	5.3
58.06601	32.0
58.06872	1.8
59.04980	0.9
59.07379	8.5
60.08167	7.9
61.30631	0.5
67.05501	7.9
69.03371	1.8
69.07069	3.8
71.04962	0.6
71.08630	3.7
73.02891	0.6
75.04465	2.5
79.05493	6.3
81.03384	0.9
81.07063	10.5
83.04917	2.3
83.08604	3.1
84.08088	0.6
84.54254	0.8
85.02853	2.2
85.06502	0.9
85.10131	1.9
86.09673	0.5
87.04465	5.7
89.06029	33.3
89.98691	0.6
91.05467	5.7
92.28786	0.5
93.07044	6.9
95.04966	3.0
95.08608	10.9
97.06474	1.9
97.10153	1.3
99.08035	0.7
102.05536	1.1
105.07027	7.7
107.07053	0.7
107.07990	0.6
107.08595	7.2
109.06535	2.5
109.10164	3.7
111.08023	1.0
111.11653	0.6
113.05951	1.8
113.07919	0.5
113.35277	0.6
115.05426	1.1
117.07010	2.5
119.08569	7.3
121.06440	2.1
121.10152	5.7
123.08076	4.2
123.11669	0.9
125.05976	0.7
125.09579	1.1
128.06209	1.2
129.06952	2.1
130.07729	0.8
130.08580	1.1
131.07001	2.0
131.08562	3.5
133.06458	1.4
133.08597	21.8
133.10098	3.9
135.08064	3.5
135.11667	1.7
137.09579	1.2
139.11121	0.9
141.07011	0.8
142.07681	1.6
143.08563	3.6
144.10197	16.8
145.06448	1.2
145.10118	4.1
147.08028	3.1
147.11639	1.9
149.09572	2.2
150.09125	0.6
151.07576	2.6
155.08502	1.9
156.09328	1.0
157.10120	4.4
158.10751	0.5
159.08000	2.3
159.11736	2.9
160.08745	0.6
161.09586	2.0
161.13240	0.8
162.10057	0.7
162.11261	5.4
163.11150	2.2
165.06944	1.0
165.09123	3.2
167.08493	1.2
167.10661	2.6
169.10088	2.4
169.11450	0.5
170.10837	0.5
171.08058	0.9
171.11635	2.1
173.09593	2.7
173.13280	1.8
175.11148	2.0
175.14859	0.6
176.10667	0.8
177.09052	0.7
177.09688	0.7
177.11229	7.6
177.12665	1.0
179.08499	0.9
181.10100	2.0
181.12257	1.6
182.10887	0.7
183.07944	0.7
183.11688	2.5
185.09587	1.5
185.13223	1.7
187.11182	1.3
189.09090	0.7
189.12784	1.5
193.10048	0.7
193.12267	1.1
194.11868	3.1
195.11685	2.3
197.09598	0.8
197.13229	1.5
199.11131	2.3
200.12759	0.8
201.12767	0.7
201.16608	0.6
203.14262	1.2
207.11681	1.7
207.13667	1.3
209.09547	0.8
209.13200	1.4
209.15143	0.6
211.11250	0.8
211.14841	1.1
212.12009	0.6
213.12750	1.8
215.10632	0.7
215.14238	0.7
217.12210	1.1
217.15698	0.5
218.13925	1.1
219.11748	0.8
221.09453	0.5
221.13538	1.8
221.15361	5.1
222.14044	0.8
223.11215	1.3
223.14839	0.8
225.12718	0.8
231.13737	0.8
233.15344	2.6
235.11104	0.6
235.14906	0.9
236.14917	100.0
237.12852	1.3
237.15251	3.2
239.14438	1.1
243.11732	0.6
247.14713	0.7
247.16991	1.5
249.16199	0.6
265.15994	0.7
274.08337	0.7
283.17245	1.2
287.19977	0.8
299.14059	0.6
299.20068	0.7
313.27374	1.0
322.50571	0.5
325.21909	0.6
327.19946	1.3
335.25644	0.6
340.21350	2.0
358.22198	7.2
361.21838	0.7
371.22971	1.6
376.23285	6.8
379.22888	1.0
381.24249	1.9
397.23950	1.2
407.25775	0.7
412.37994	1.1
415.25293	6.3
434.27966	0.7
456.36856	8.9
460.41394	4.2
474.37900	17.6
475.38324	1.7
521.32959	0.7
532.12781	0.6
534.33429	7.1
535.33539	1.0
596.45599	5.4
597.38824	1.1
597.47070	0.7
614.46423	98.0
615.47485	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01849	0.7
55.05508	1.7
57.03439	4.1
57.07077	4.4
57.46925	0.4
58.06601	31.0
59.04976	0.9
59.07383	9.5
60.08163	7.4
67.05504	5.3
68.99805	0.8
69.00208	2.8
69.03372	0.4
69.07068	2.4
71.04971	0.8
71.08620	2.7
75.04474	2.2
79.05502	2.2
81.07050	3.4
83.04942	0.7
83.08584	1.4
84.08132	0.4
85.02909	2.1
85.06519	0.5
85.10183	1.9
87.04474	2.8
89.05988	1.5
89.98705	0.4
91.05479	2.7
93.05483	0.5
93.07037	3.1
95.04926	1.5
95.08606	12.9
96.08900	0.4
97.06496	1.1
97.10135	0.6
100.11222	0.4
102.05487	0.7
105.05505	0.7
105.07029	3.1
107.08583	2.3
109.06471	1.0
109.10171	2.4
111.08060	0.8
113.05984	1.2
117.06992	1.0
119.08577	2.9
121.06478	1.0
121.10130	1.8
123.08067	1.7
123.11684	1.0
125.09600	0.6
128.06204	0.4
129.06943	0.8
130.08588	0.5
131.07019	1.5
131.08546	1.8
133.08565	0.9
133.10129	2.2
135.07985	0.8
135.11644	0.6
143.08549	1.2
144.10196	14.2
145.06467	0.5
145.10143	1.9
147.07993	1.0
147.11630	0.7
149.09610	0.7
151.07536	0.5
156.09305	0.6
157.10101	1.3
159.08047	0.7
159.11601	0.8
161.09541	0.6
161.13239	0.5
162.11279	4.0
163.11171	0.9
165.09071	0.7
167.10529	0.4
169.10098	1.3
171.11629	1.1
173.09575	0.5
173.13228	0.6
175.14780	0.7
177.11200	0.6
181.10054	0.7
181.12352	0.4
183.11688	0.7
185.13182	0.7
187.14821	0.6
189.12619	0.6
193.10037	0.4
195.11690	0.8
197.09583	0.5
197.13225	0.7
200.12839	0.5
201.12720	0.5
203.14220	0.7
206.10825	0.5
209.13245	0.9
211.11024	0.5
217.10269	0.5
218.13850	1.0
221.13449	0.5
221.15385	2.5
223.14786	0.5
233.15364	0.9
236.14914	85.3
237.15193	3.1
247.16985	0.6
256.88284	0.4
293.97604	0.4
299.14883	0.5
313.27441	0.5
337.27481	0.6
358.22232	5.2
369.30020	0.4
376.23300	11.2
377.23654	0.7
379.22455	0.7
412.37894	0.8
416.26385	0.4
456.36749	5.4
457.37256	0.6
474.37891	13.3
475.38257	1.9
555.25610	0.5
561.37109	0.4
594.97626	0.5
614.46246	100.0
615.46637	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	614.4837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.6
55.01873	2.0
55.05511	6.5
55.18847	0.8
57.03440	0.8
57.07078	50.6
58.06603	1.2
58.07418	1.2
59.05001	1.9
67.05508	7.3
69.03442	1.5
69.07064	12.8
71.08237	2.1
71.08632	42.0
73.02919	1.0
73.06561	7.1
79.05502	8.2
81.07059	7.9
83.04990	3.1
83.08624	5.3
85.06542	1.4
85.10184	27.5
85.91560	1.0
87.04474	7.4
89.06032	100.0
90.06360	1.7
91.05461	7.8
91.07585	1.1
93.07046	9.6
93.91540	1.0
93.96481	0.9
95.04977	2.8
95.08613	7.1
95.92653	0.9
97.06542	4.2
97.10171	2.9
97.80457	1.0
99.11736	6.6
103.06842	0.9
103.70059	0.9
105.07025	11.8
107.04945	1.6
107.07082	3.3
107.08586	9.3
109.06504	2.7
109.10146	5.0
110.10504	0.9
111.08075	1.8
111.11739	3.9
113.13297	7.1
117.07014	3.5
117.09115	6.1
119.08579	11.4
121.06541	1.4
121.10155	7.5
123.08098	3.2
123.11699	1.0
125.09626	2.3
125.13299	2.4
127.14823	4.2
128.06253	1.5
129.07001	3.3
130.08670	1.3
131.07072	3.2
131.08559	5.0
133.08601	64.8
133.10072	7.7
135.08058	3.0
135.11693	3.5
137.09607	2.8
141.07019	2.0
142.07834	1.8
143.08575	5.5
144.09346	1.1
145.10126	6.7
147.08040	3.2
147.11745	2.2
149.09598	3.1
151.07571	1.8
151.11160	1.1
153.06984	1.0
155.08568	1.9
156.09326	2.7
157.10147	6.0
159.08092	2.1
159.11713	4.1
161.09651	1.7
161.11766	2.0
161.13330	1.6
163.11179	3.0
165.09087	1.7
167.08592	1.3
167.10693	4.3
169.10136	3.3
171.11742	4.7
173.13252	3.9
175.09715	1.1
175.11179	1.1
175.14949	1.2
177.11227	29.7
178.11591	1.4
181.10164	1.7
181.12251	1.5
183.11678	3.0
183.21007	1.5
185.13298	2.0
187.11148	1.2
187.14801	2.3
189.12749	1.9
191.14340	1.5
193.09988	1.1
194.10701	1.0
195.11720	2.0
197.13316	3.1
199.11246	1.1
199.14894	1.6
207.11591	1.2
213.12929	1.1
221.13528	5.3
221.15434	3.8
226.16901	1.0
227.23714	1.6
229.15553	1.5
233.13356	1.2
233.15472	2.4
235.14732	1.9
239.14650	2.3
271.26395	3.3
283.17557	2.0
315.28854	5.1
327.20096	2.5
328.34152	1.2
335.09406	1.0
380.97275	1.0
415.25223	8.0
582.58301	1.1
597.46289	7.5
598.45386	1.1
614.29401	1.6
614.42059	5.6
615.40570	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	615.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
54.12175	0.6
55.01884	2.7
55.05512	3.6
57.03430	2.1
61.54699	0.5
67.05506	5.7
69.03430	32.4
69.07072	4.7
71.01340	0.9
71.04980	1.0
71.29055	0.7
73.02912	0.6
79.05495	8.0
80.26664	0.5
81.03426	7.0
81.07048	1.5
83.04981	15.4
85.02912	2.4
85.06526	0.7
91.05476	2.7
93.07043	2.1
95.04978	4.9
95.08630	1.1
97.02891	5.0
97.06532	53.0
98.06886	1.6
99.04456	4.8
101.06012	1.0
105.07044	1.7
107.08611	1.5
109.02904	1.8
109.06512	0.8
111.04435	1.1
115.05455	0.5
117.07038	1.1
119.08573	1.4
121.10139	1.0
123.04444	1.3
123.08073	0.7
127.03883	1.2
128.06216	1.1
129.07037	1.1
131.04942	0.6
131.08636	1.2
133.02892	0.7
133.10109	0.7
135.04483	0.8
141.05492	1.3
141.06992	1.4
145.06529	1.2
145.10117	0.7
147.04454	1.7
149.06071	0.7
155.08504	1.1
157.06490	1.1
157.10088	0.9
159.08122	0.7
160.05180	0.7
161.02373	0.5
161.05997	2.9
163.03925	6.8
163.11203	1.0
165.07118	0.7
167.08591	1.3
167.10725	1.4
169.06468	1.3
171.08060	1.3
173.02353	0.8
173.06023	2.4
173.09714	0.7
174.06676	1.3
175.07552	1.1
176.04639	0.6
177.05557	0.7
181.06534	1.0
183.08037	0.6
185.09653	1.5
187.07509	1.7
189.05415	0.7
189.09116	3.4
191.07013	0.8
194.07289	0.6
195.08119	2.1
197.05994	1.0
199.07526	2.6
201.05463	0.8
201.09068	1.1
203.06938	0.8
203.10684	0.9
209.09700	1.2
211.07596	1.8
212.08296	0.6
213.09088	3.9
214.06294	1.0
215.07080	3.2
215.10725	1.0
216.07568	0.6
217.08636	2.0
223.07593	1.2
227.10696	0.9
229.08681	1.1
231.10088	1.3
233.15331	0.9
239.10669	1.0
240.07841	0.7
241.08533	4.0
241.12292	2.2
251.10669	0.8
253.08600	0.7
253.12196	0.6
255.10243	0.6
257.08060	0.7
257.11740	0.6
258.09012	0.8
259.09677	9.4
260.10049	0.9
265.08499	0.6
265.12228	0.9
267.10229	0.7
267.13736	1.4
283.13361	1.6
285.11136	1.2
285.14819	0.8
287.12958	0.7
293.11758	1.1
307.22687	1.0
309.14871	1.4
311.12860	9.9
311.16391	1.1
312.13141	0.7
313.14206	5.4
327.15762	4.5
328.16260	0.7
329.13889	0.8
331.15359	1.0
337.14334	4.6
355.15411	22.2
356.15765	2.1
367.28284	4.7
373.16333	1.9
395.27740	1.6
407.18375	0.9
411.18140	1.0
435.17816	1.4
443.36887	0.6
453.19180	1.2
481.31134	0.8
499.19644	1.6
511.32410	2.5
517.21167	1.5
523.32336	3.3
529.33502	6.2
553.33447	5.2
567.31647	1.0
571.34540	29.6
572.34949	2.9
579.30859	1.0
597.23236	0.8
597.32202	5.8
602.08441	0.7
615.24634	7.6
615.33447	100.0
616.24762	0.8
616.33795	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	615.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70261	0.5
51.02393	0.6
53.03940	0.5
55.01865	1.0
55.05521	3.9
57.03421	1.1
57.07076	1.2
59.04987	1.1
65.66373	0.4
67.05241	0.4
67.05508	4.9
68.78675	0.4
69.03421	2.0
69.07066	3.9
71.01342	0.5
71.04974	1.3
72.65407	0.5
79.05502	4.9
81.03403	1.1
81.07059	7.7
83.04997	2.4
83.08603	2.4
85.06532	1.3
91.05477	7.4
93.07048	9.7
95.04977	5.1
95.08617	5.2
97.06557	2.4
97.10127	0.5
98.23544	0.8
103.05433	0.5
105.07035	10.3
105.17995	0.4
106.07317	0.6
107.04958	1.1
107.08601	7.5
109.06504	2.8
109.10164	2.9
111.04462	0.7
111.08055	1.3
115.05447	0.9
117.07013	3.3
119.08573	8.4
121.06492	2.6
121.10139	9.7
121.96959	0.5
123.08080	5.0
123.11691	1.1
125.05988	1.3
125.09637	1.1
128.06190	1.2
129.06981	1.9
130.07770	0.8
131.08577	4.8
133.06497	1.0
133.10124	5.8
135.08025	2.7
135.11665	2.1
137.05965	0.6
137.09598	1.9
138.63078	0.7
139.11148	0.6
141.06978	0.9
141.56929	0.5
142.07782	1.9
143.08583	3.3
144.09349	0.7
145.06436	0.9
145.10141	6.3
147.08046	2.9
147.11732	2.3
149.09595	3.1
151.07558	3.4
151.11209	1.3
155.08531	1.5
156.09311	1.5
157.06483	0.5
157.10138	3.9
158.10851	0.6
159.08012	1.9
159.11725	2.5
161.09610	2.3
161.13289	0.7
163.11206	3.4
165.09097	3.1
167.08566	1.0
167.10681	9.1
168.09286	0.7
168.11052	0.6
169.10150	2.5
170.10898	0.6
171.11739	2.2
173.09647	2.5
173.13271	2.3
174.70335	0.5
175.11133	0.9
175.14793	1.1
177.09035	0.5
179.08553	1.1
180.09367	0.7
181.10083	1.4
181.12198	2.5
182.10768	0.6
183.11679	2.1
184.12056	0.4
185.09637	1.8
185.13226	1.2
187.11189	1.3
189.12737	1.9
191.14287	0.8
193.10075	1.0
194.10924	0.6
195.11688	2.0
196.12437	0.7
197.09540	0.5
197.13202	1.5
199.11203	1.1
199.14848	0.8
201.12778	0.5
203.14307	2.2
207.11792	1.2
207.13831	1.9
208.12379	0.6
209.13264	1.2
209.15378	0.7
211.11201	1.2
211.14801	1.3
213.12817	1.1
213.16348	0.9
215.14281	1.7
219.11789	0.7
221.13326	0.8
221.15331	7.3
225.12668	0.6
231.13737	0.9
233.13206	0.6
233.15363	6.4
235.14944	0.6
237.12640	0.5
247.16978	1.0
262.13412	0.5
273.18460	0.9
275.20270	0.6
283.15125	0.7
283.20630	0.5
293.18756	0.5
299.20126	0.8
311.20010	0.7
323.80508	0.5
333.20355	11.3
334.20657	1.0
381.23996	0.7
389.22983	5.5
407.25754	0.9
486.21579	0.5
517.27771	0.6
579.37823	1.1
597.39215	2.1
615.34705	100.0
616.35040	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	615.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.1
55.01879	9.7
55.05512	37.5
57.07070	18.6
58.06595	15.5
59.04985	7.3
59.07376	3.7
64.60696	3.4
65.03930	8.2
67.05500	44.8
69.03429	21.1
69.07070	35.1
71.04979	6.4
76.17232	3.7
77.03911	4.4
79.05490	48.0
80.05814	5.1
81.07056	58.2
82.07392	3.9
83.04982	30.6
83.08618	27.7
83.10893	4.2
85.06544	24.2
87.04514	5.1
89.06017	11.8
91.05474	76.5
92.05770	5.3
93.07043	88.6
95.04983	47.1
95.08608	56.0
96.08913	6.2
97.06521	26.5
98.23349	14.8
103.05445	7.7
105.07033	88.5
106.07339	9.2
107.04871	4.9
107.08594	81.6
108.08887	4.6
109.06532	27.3
109.10164	41.8
110.06853	6.4
111.04488	5.8
111.08078	12.0
113.05970	4.3
113.09656	7.3
115.05436	9.9
117.07020	27.2
119.04933	5.7
119.08587	100.0
120.08913	8.2
121.06501	31.5
121.10143	83.7
122.06800	4.2
122.10480	8.8
123.08073	29.7
123.11694	16.0
125.05938	9.9
125.09618	18.1
128.06229	18.5
129.07013	28.1
130.07626	4.3
131.08565	58.9
132.08911	5.3
133.06474	14.5
133.08598	9.1
133.10146	59.5
134.10475	8.7
135.08044	29.7
135.11687	18.3
135.79391	4.1
136.90063	3.7
137.09615	7.9
139.11176	8.4
141.07001	16.2
142.07800	26.3
143.08566	56.7
144.09238	11.4
145.06516	11.1
145.10133	59.8
146.10484	9.2
147.08070	23.7
147.11693	21.5
149.09624	29.6
151.07562	25.6
151.11182	10.5
153.06993	9.9
154.07770	8.9
155.08548	17.7
155.10577	4.8
156.09344	21.0
157.10135	55.5
158.07211	5.4
158.10663	7.9
159.08011	23.1
159.11684	29.9
160.08530	4.7
161.09650	27.8
161.13234	8.6
163.07443	4.4
163.11208	26.1
165.07030	12.6
165.09123	11.3
166.07715	13.5
167.08557	18.7
167.10698	32.6
167.71303	4.1
168.09216	5.0
169.10146	33.9
170.10771	11.6
171.08069	13.4
171.11687	27.3
172.08791	5.7
172.12138	6.6
173.09633	36.7
173.13191	19.3
175.11156	18.2
175.14819	10.9
175.47728	4.8
177.12717	5.2
179.08519	18.6
180.09354	13.9
181.10124	33.6
181.12250	13.8
182.10834	14.6
183.08090	4.8
183.11726	35.6
184.08833	4.7
184.12283	7.1
185.09622	16.0
185.13251	29.6
186.10164	6.9
187.11205	17.1
187.14749	6.6
189.09154	6.2
189.12704	15.8
191.10547	6.2
191.14340	9.5
192.09370	9.7
193.10152	22.6
194.10866	16.4
195.11696	37.9
196.12318	14.1
197.13197	23.5
198.10332	5.9
199.11142	18.0
199.14792	7.0
201.12704	7.0
203.08653	5.1
203.14317	14.5
206.10910	14.7
207.11653	22.2
207.13783	11.8
208.12411	14.8
209.09770	6.4
209.13260	28.6
209.15363	8.0
210.10265	7.7
211.11121	11.3
211.14868	15.5
212.11516	4.8
213.12759	24.9
214.13107	9.5
215.14270	14.2
216.09164	5.0
217.10196	7.7
217.12213	6.3
219.11639	13.7
219.13670	5.5
220.12439	9.6
221.13229	18.9
221.15390	27.9
222.13959	6.2
223.11215	16.3
223.14813	7.4
225.12654	12.9
225.16338	8.0
226.13368	6.6
227.14391	8.5
229.15947	15.8
230.10809	5.5
231.11636	11.7
232.12393	7.8
233.13145	11.2
233.15358	46.5
235.11101	6.4
235.14789	13.0
236.14949	31.4
237.12750	13.3
237.15340	11.5
238.13249	6.6
239.14241	10.2
239.17914	5.8
241.12181	5.3
244.12273	6.7
245.13252	7.2
246.13835	7.7
247.14749	13.0
247.17104	11.7
249.16348	5.3
250.13374	5.8
251.14238	6.9
251.17969	7.1
259.14706	7.3
260.15570	5.0
261.16357	10.9
262.17175	5.0
263.14285	10.2
263.17816	5.8
269.18915	5.8
271.14578	4.8
271.17175	7.0
278.16214	6.9
279.17462	6.1
280.17941	5.1
281.18991	4.6
285.16156	5.8
291.17398	6.1
293.19077	4.4
297.18506	6.1
298.19180	9.0
299.14398	4.5
304.17676	5.0
315.19852	5.3
333.22330	4.3
361.21643	7.4
362.21811	9.6
363.22519	6.1
380.23050	5.1
381.24347	6.3
397.23752	8.2
398.24039	8.1
407.25513	5.5
459.28992	8.6
579.38251	27.0
580.38715	4.4
582.36127	5.6
597.39551	57.4
598.40369	6.2
615.38422	64.7
615.47089	26.1
616.40637	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	615.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.7
55.01864	3.2
55.05516	25.1
57.03419	3.4
57.07072	15.2
59.05004	6.9
60.85362	2.4
61.30369	2.5
65.03940	8.0
67.05505	41.7
69.03427	21.4
69.07065	27.4
71.04999	3.9
71.98054	2.6
76.26906	2.8
77.15472	2.8
79.05498	45.0
81.03413	4.8
81.07053	46.9
83.04969	17.2
83.08614	16.0
85.02900	3.5
85.06548	11.2
87.51927	2.7
88.39986	2.5
91.05478	80.2
92.05798	4.2
93.07042	85.4
94.07384	2.8
95.04943	20.6
95.08603	46.7
97.06519	10.6
97.10174	4.6
98.22604	5.7
103.05480	6.7
105.04523	5.1
105.07029	100.0
107.04967	10.2
107.08591	79.0
107.91647	2.5
108.08884	3.2
109.06523	27.0
109.10169	31.0
111.04424	6.0
111.08082	7.7
111.11767	4.5
115.05452	10.0
116.06238	4.2
117.07014	29.4
119.04926	3.6
119.06075	4.3
119.08580	89.2
120.08931	3.0
121.06509	31.9
121.10145	91.8
121.11022	5.0
123.08090	19.9
123.11712	11.6
125.05960	3.8
125.09637	12.1
128.06194	16.2
129.07021	23.7
130.07761	9.1
131.05104	3.3
131.08574	50.9
133.06538	13.9
133.07436	2.8
133.10127	60.6
135.08057	21.3
135.11667	24.6
137.09639	7.3
139.11185	7.1
141.07030	10.3
142.07756	25.0
143.08569	43.7
144.05687	3.6
144.09329	8.8
145.06519	15.2
145.10115	60.6
146.10442	3.5
147.08061	23.6
147.11693	27.5
149.09608	34.8
149.13269	5.0
151.07533	14.3
151.11159	6.0
153.07030	4.7
154.07826	4.9
155.08565	19.3
155.10437	2.8
156.09314	19.8
157.10121	50.2
158.10866	12.0
159.08064	33.7
159.11703	32.2
160.08574	3.3
161.09677	13.7
161.13252	10.3
163.07559	15.1
163.11176	11.8
163.14717	3.1
165.06992	9.2
165.09041	13.3
166.07721	3.2
167.08551	8.6
167.10674	69.0
168.09409	6.7
169.10135	28.2
170.10907	10.5
171.08055	6.8
171.11664	34.5
172.08821	4.1
173.09631	15.5
173.13258	36.9
175.07549	9.3
175.11319	13.3
175.14857	9.1
177.09114	7.6
177.12663	5.0
178.07808	3.0
179.08586	11.9
180.09366	6.6
181.10143	21.5
181.12224	9.0
182.07330	4.4
182.10870	11.6
183.08107	3.2
183.11664	25.3
184.12442	6.7
185.09634	14.5
185.13240	15.9
187.07571	21.5
187.11174	13.5
187.14827	20.7
189.09236	3.5
189.12662	16.6
191.08554	3.3
191.10646	3.1
191.14310	7.5
192.09370	7.2
193.10201	15.4
194.10860	8.6
195.11717	25.6
196.12419	8.1
197.09616	11.4
197.13321	18.8
198.13770	3.3
199.11171	16.1
199.14848	16.4
201.09171	5.5
201.12747	4.7
201.16357	3.5
203.10596	3.4
203.14334	6.5
205.10117	4.5
206.10959	5.6
207.11687	19.1
207.13683	6.6
208.12534	7.5
209.09615	7.5
209.13281	17.6
209.15208	6.2
210.10419	5.9
210.13966	4.4
211.11150	11.4
211.14809	20.5
212.11935	3.8
213.12805	13.3
213.16432	9.7
215.14354	9.1
217.15814	4.0
219.11548	5.1
220.12579	5.4
221.13254	7.8
221.15370	21.6
222.10562	4.0
223.11119	11.0
223.14781	8.0
225.12717	13.6
225.16425	9.7
231.11639	4.3
231.17325	3.7
232.12451	4.0
233.13226	5.9
233.15340	74.9
235.11198	5.2
235.14804	10.5
236.11858	4.1
237.12767	6.6
237.16386	9.8
239.10712	4.5
239.14413	5.6
239.17906	5.5
241.12077	5.0
243.11603	4.6
243.13828	4.3
243.17401	4.8
244.12337	3.1
247.14862	7.6
247.17130	4.5
249.12744	5.6
249.16408	3.7
251.14293	5.4
251.18021	8.3
253.12169	5.0
253.15785	3.8
255.17496	5.1
259.14737	5.1
263.14359	4.8
263.17975	4.7
267.17407	7.1
269.18967	9.9
273.18515	7.5
275.14362	5.5
277.15851	4.3
279.17380	6.6
281.18890	5.0
285.18509	7.3
287.14407	3.4
287.17627	3.1
297.18469	3.4
299.19867	7.5
305.18768	3.7
309.18491	8.8
311.20120	6.0
327.19678	6.2
333.20517	8.5
351.22989	3.7
375.23215	6.4
389.23972	4.8
393.24200	4.8
407.25760	6.0
433.27673	4.1
439.25879	3.1
443.32785	2.8
523.32953	3.2
540.84552	3.1
541.33301	3.1
561.37268	4.4
579.38220	15.8
597.40314	32.9
598.39270	4.5
615.34595	63.5
615.41382	30.6
616.34760	9.1
616.42310	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	615.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.4
55.01879	2.2
55.05514	14.5
57.07073	8.6
57.15224	1.4
59.04996	5.6
63.24519	1.7
65.03960	3.1
66.19511	1.5
67.05505	19.8
69.03430	11.0
69.07067	13.6
69.52002	3.0
69.52403	5.9
71.05006	2.3
71.08643	1.6
79.05493	24.7
80.05825	1.6
80.90538	1.5
81.03429	2.3
81.07055	28.9
82.41476	1.4
83.04994	12.8
83.08640	7.3
85.06552	4.7
88.07646	2.4
91.05481	30.0
92.05817	2.0
93.07044	42.2
95.04954	17.2
95.05447	1.4
95.08608	20.0
97.06521	10.2
99.08111	1.9
102.09211	1.7
103.05495	3.0
105.07037	42.4
106.07368	1.7
107.04971	2.1
107.08587	33.6
108.05757	1.9
109.06505	17.1
109.10149	15.2
111.08136	2.3
111.11737	1.8
113.09647	1.7
115.05498	3.0
117.07020	10.7
117.91313	1.5
119.04963	3.4
119.08587	36.3
120.08975	1.6
121.06503	10.0
121.10143	53.9
121.11002	2.7
122.10532	2.2
123.08059	21.2
123.11742	4.8
125.06033	6.2
125.09682	5.9
128.06268	5.9
129.07028	10.3
130.07809	3.9
131.08574	22.2
133.06531	6.7
133.07530	1.7
133.10133	24.5
135.08076	16.9
135.11717	7.9
137.06046	2.5
137.09628	8.0
139.11244	4.5
141.07022	6.2
142.07756	9.2
143.08578	18.6
144.02901	1.7
144.09387	1.9
145.06462	3.3
145.10123	31.1
147.08051	20.5
147.11684	7.9
149.02441	1.9
149.09630	23.7
151.07553	17.9
151.11169	2.2
153.07007	2.6
153.09102	1.7
155.08566	8.8
155.10664	3.2
156.09315	9.1
157.10133	22.6
157.11313	2.4
158.10818	2.2
159.08038	14.9
159.11668	12.4
160.08691	1.6
161.09644	12.9
161.13356	5.6
163.11220	10.3
165.07022	4.7
165.09099	13.5
166.07834	2.2
167.08571	5.7
167.10680	65.4
168.09378	3.7
168.11137	2.2
169.10115	12.0
170.10818	2.6
171.08060	2.5
171.11703	14.0
172.08855	1.8
173.09633	11.1
173.13258	11.9
174.10567	2.5
175.11232	6.0
175.14873	4.4
177.09215	4.5
179.08611	6.8
180.09459	4.1
181.10156	12.5
181.12222	15.7
182.10985	5.1
183.11732	11.9
184.08902	2.6
185.09621	11.9
185.13239	8.6
187.11082	7.6
187.14853	3.6
189.12764	14.9
191.10715	2.1
191.14453	5.2
192.09395	3.2
193.05057	3.1
193.10115	8.2
194.11060	5.4
195.11714	13.6
195.13512	1.9
196.12445	2.4
197.09749	5.8
197.13179	8.8
198.10464	2.2
199.11215	11.2
199.14900	3.6
201.12830	4.0
203.08612	2.1
203.14264	8.6
205.10205	3.2
206.11057	4.0
207.11800	7.8
207.13924	10.6
208.12512	1.8
209.09677	3.0
209.13387	8.8
209.15503	4.6
211.11119	9.0
211.14708	7.5
213.12662	7.7
213.16493	3.0
215.14319	17.0
216.09398	2.2
217.10245	4.1
218.11008	2.5
219.11867	3.8
219.13948	2.7
220.12447	2.2
221.13321	7.8
221.15489	22.3
222.10388	2.0
222.14008	2.2
223.11325	5.2
223.14955	5.7
224.12128	1.6
225.12802	7.6
225.16484	3.4
227.14403	3.1
229.16034	3.5
231.11800	6.3
231.17416	2.8
232.12589	2.4
233.13246	5.3
233.15352	100.0
234.15907	5.8
235.11200	2.3
235.14879	4.3
235.16931	3.4
237.12852	5.9
237.16707	2.1
239.14410	4.0
241.12231	3.0
241.16096	3.0
244.12540	3.2
245.13348	4.9
246.14264	2.4
247.14917	3.8
247.17123	7.9
248.15274	1.8
249.12683	2.7
249.16597	2.7
251.14473	4.1
251.18079	1.9
253.15926	3.6
253.19801	1.6
256.26630	1.6
257.26736	2.4
259.14871	2.6
260.15622	2.2
261.16565	2.8
263.14426	2.0
265.16083	2.9
267.13989	1.9
269.19299	2.6
273.18637	5.1
275.14493	1.6
275.17859	1.8
277.15991	2.3
279.17584	2.7
281.19174	2.9
283.20724	1.8
284.15741	2.7
285.18857	1.9
287.20187	2.8
291.17804	1.9
293.19131	2.4
297.18683	2.2
299.20212	8.4
303.17361	2.7
305.19296	2.7
311.20160	11.4
315.19852	3.3
323.20230	2.7
331.20624	2.0
363.23331	4.4
377.24908	4.8
379.22690	3.0
381.24237	10.3
385.09424	2.3
389.24902	2.8
393.24551	4.6
407.25885	9.3
435.28851	1.9
467.31607	2.4
476.79077	1.9
506.27347	1.7
507.34995	2.2
517.34216	2.2
579.38562	8.9
597.39410	18.3
598.40039	3.4
615.40808	62.1
616.40649	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	615.441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	8.9
55.01869	3.3
55.05509	23.1
57.07076	22.5
57.24082	2.7
58.06599	6.4
59.05001	20.1
59.07381	3.7
64.27365	3.3
65.03936	8.7
67.05506	38.6
69.03433	13.0
69.07080	17.7
71.04994	4.1
71.08626	5.1
73.06532	5.4
79.05497	35.9
81.03432	4.7
81.07065	41.8
83.04980	10.3
83.08628	8.1
85.06538	27.7
89.06046	8.3
91.05479	66.2
93.07043	61.0
95.04960	20.5
95.08611	56.0
96.08965	3.1
97.06542	8.9
99.08073	3.8
103.05506	5.8
105.04493	3.4
105.07032	81.8
107.04949	5.2
107.08589	49.4
109.06532	17.6
109.10161	29.7
111.08063	10.3
115.05445	5.1
117.07032	19.3
119.08582	93.1
120.08894	4.2
121.06526	15.5
121.10147	48.4
123.08076	43.7
123.11732	6.5
125.06004	15.5
125.09647	18.1
128.06245	12.1
129.07033	16.4
130.07816	7.6
131.08569	42.0
133.06520	8.6
133.08615	5.5
133.10143	60.9
135.08052	22.0
135.11702	18.6
137.09615	23.5
139.07620	3.7
139.91713	3.0
141.06940	6.6
142.07808	15.4
143.08601	26.8
144.09326	7.3
145.10144	48.9
147.08069	25.4
147.11699	25.3
149.09607	21.0
149.13162	6.0
151.07559	45.4
151.11174	12.9
153.06921	3.7
153.09145	4.7
155.08569	10.7
156.09337	13.5
157.10149	32.2
158.10857	6.8
159.08058	9.6
159.11702	28.9
161.09669	15.1
161.13271	12.1
163.11212	26.1
165.06956	4.2
165.09117	42.9
167.08591	8.5
168.09381	3.4
169.10146	19.1
170.10844	6.3
171.07996	3.3
171.11650	18.5
172.12312	3.6
173.09625	6.0
173.13283	32.0
174.10469	3.9
175.11148	9.4
175.14813	19.8
177.12671	3.4
179.08621	4.6
179.10541	3.4
180.09290	5.2
181.10107	12.1
181.12184	23.1
182.10773	6.0
183.11674	16.6
185.13268	11.4
187.11220	6.1
187.14926	7.0
189.12808	12.3
191.14346	7.7
192.09389	3.8
193.10115	8.3
193.15814	3.7
193.28447	3.6
194.10980	5.5
195.11723	20.6
195.13417	3.4
196.12425	4.1
197.13336	15.0
199.11266	3.9
199.14796	7.9
201.12732	4.5
201.16408	4.7
203.14259	20.6
205.10245	5.8
205.15837	3.3
207.11790	7.7
207.13823	18.8
209.13263	11.4
211.13293	9.2
213.12834	3.9
213.16470	4.0
215.14209	5.2
221.13298	10.1
221.15347	100.0
221.17540	6.7
222.15773	5.1
223.14851	8.1
223.16956	10.9
225.16411	4.7
233.13278	6.8
235.14864	7.5
236.14969	11.4
237.16406	4.5
245.13341	3.7
251.16368	5.4
269.19073	4.2
271.16928	6.0
279.17487	3.5
286.19452	5.3
287.20230	5.3
299.20126	6.1
390.25412	4.2
457.24329	3.1
491.35263	7.5
517.35596	4.6
535.33698	3.4
565.40247	4.7
583.41541	22.5
597.42609	13.1
615.44537	90.6
616.44543	18.6
631.83142	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	615.498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.0
55.05515	28.7
57.03436	7.6
57.07069	10.6
65.03950	3.4
67.05504	68.4
68.80881	1.7
69.03420	2.1
69.07069	25.4
70.93791	3.6
71.08639	4.4
79.05494	36.8
79.05970	2.2
81.07059	67.1
83.05000	2.6
83.08622	19.0
85.06557	3.5
85.10181	1.8
91.05481	29.9
91.06010	2.7
93.07046	50.1
95.04980	3.3
95.08609	58.9
97.06547	5.7
97.10178	9.0
99.08072	4.0
105.07027	32.8
107.08600	31.7
109.10150	24.8
117.07037	10.6
119.08574	27.9
119.09350	2.7
121.10143	29.1
123.11714	12.9
125.09618	2.0
129.06998	4.4
130.64388	1.9
131.08577	17.5
133.10150	23.3
135.11690	18.2
137.13266	7.1
143.08586	4.1
145.10135	15.0
147.11687	15.3
149.13293	11.0
151.14809	1.8
157.10135	3.4
159.11687	11.5
161.13243	10.7
163.14854	5.2
169.10162	3.6
171.11667	4.4
173.13245	8.9
175.14877	4.8
182.20923	1.9
184.92140	1.9
185.13361	3.6
187.14879	5.0
189.16460	3.3
199.14857	4.3
201.16508	2.5
203.17921	2.4
205.15933	2.2
215.17764	1.8
217.19633	2.1
227.16454	2.0
241.19609	2.2
243.21181	3.2
259.20462	8.4
261.22162	12.3
263.23676	2.2
287.23898	2.6
301.25269	3.7
305.83301	1.8
333.24310	3.2
335.25818	11.7
337.27319	15.1
339.29004	8.1
345.70517	2.0
412.97543	1.8
485.72659	1.9
523.45203	5.7
541.46429	2.9
597.48840	16.3
615.49786	100.0
616.50061	15.4
624.95013	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90284	0.3
55.01838	0.6
55.05512	4.2
57.03434	3.1
57.07078	3.7
58.06598	25.0
59.04981	0.5
59.07382	7.5
60.08163	7.0
67.05505	2.3
69.03413	0.5
69.07069	2.3
71.08627	2.7
73.02892	0.7
75.04485	2.0
78.73161	0.3
79.05495	2.5
81.07056	3.1
82.36800	0.3
83.04961	0.6
83.08623	2.0
84.08141	0.5
85.02911	2.2
85.06514	0.5
85.10175	1.8
86.09673	0.3
87.04473	2.7
89.06008	1.0
90.09946	0.4
91.05471	1.9
93.07050	1.8
95.04955	0.5
95.08605	3.5
97.06496	0.4
97.10184	1.7
97.14115	0.4
100.11245	0.4
102.05497	0.8
103.03977	0.4
105.07023	2.2
107.08615	1.5
109.06447	0.8
109.10137	1.7
113.05971	1.1
113.09673	0.3
115.05463	0.3
116.10683	0.3
117.07023	0.4
119.08614	2.0
121.06493	0.6
121.10109	1.1
123.08062	0.8
123.11652	0.6
125.09611	1.2
127.34140	0.4
130.08615	0.6
131.07005	0.9
131.08525	0.8
133.06453	0.5
133.08554	0.6
133.10106	1.0
135.08009	0.7
135.11699	0.8
142.07680	0.3
143.08630	0.5
144.09126	0.7
144.10196	12.4
145.10123	1.2
147.11681	0.5
149.09587	0.5
151.07507	0.9
155.08542	0.6
157.10085	0.9
158.10600	0.5
159.08075	0.3
160.12160	0.4
161.09608	0.7
162.11246	4.1
163.11160	0.5
165.09108	0.6
169.10074	0.6
171.11639	0.7
173.13254	0.5
177.11238	0.4
181.12242	0.4
197.13257	0.4
200.12837	0.5
203.14336	0.6
218.13918	1.4
221.13426	0.4
221.15373	1.9
233.15457	0.4
234.54855	0.4
236.14915	78.0
237.15195	3.9
273.16632	0.5
313.27332	0.8
360.23792	3.8
378.24872	7.1
379.25305	0.5
412.38022	0.7
456.36798	6.6
457.37592	0.5
465.33942	0.3
474.37872	17.6
475.38330	2.1
616.47815	100.0
617.48352	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.7
55.01873	7.3
55.05515	16.1
55.83401	1.1
57.03442	11.4
57.07078	34.7
59.04991	2.2
66.92206	1.4
67.05507	28.7
68.99087	10.4
69.07072	11.7
71.01366	3.3
71.04989	5.2
71.08635	24.0
79.05493	27.4
80.05798	1.9
81.02975	2.3
81.03418	22.3
81.07059	32.4
83.01340	2.0
83.04990	10.1
83.08624	14.4
85.02901	4.4
85.06546	3.7
85.10172	13.5
89.06008	2.1
91.05486	21.3
93.07044	26.9
95.04991	7.5
95.08604	25.6
97.02877	7.2
97.06532	8.8
97.10175	7.1
99.04441	2.8
99.08091	1.9
105.07024	9.6
106.07390	1.4
107.04967	14.8
107.08594	13.5
109.06522	7.9
109.10137	8.5
111.04448	23.8
111.08064	3.7
111.11729	2.7
117.07041	10.2
119.08587	16.1
120.88577	1.2
121.06482	6.1
121.10157	9.7
123.08064	5.2
123.11687	2.4
125.05976	5.4
125.09686	1.4
129.07025	2.4
130.07806	1.6
131.08582	9.6
133.10121	4.4
135.08052	1.7
135.11682	15.2
137.09589	1.7
139.07538	1.5
143.08609	2.6
145.06459	1.7
145.10121	15.0
147.08032	3.9
149.09605	2.5
149.13254	2.0
153.12743	6.3
155.08565	4.5
161.13246	1.8
163.11191	24.3
173.09636	6.9
175.14897	1.5
181.12250	4.5
182.09236	1.3
184.78806	1.4
191.10660	9.9
195.13853	2.3
209.11708	14.4
223.13292	22.8
227.12729	8.0
229.12163	1.2
241.14351	49.5
242.14613	2.4
265.14413	9.5
267.26846	1.3
283.15433	22.0
288.50891	1.2
297.17004	1.6
315.18015	44.0
334.24646	1.7
339.29074	2.0
340.29114	2.5
341.30502	100.0
342.30823	5.9
373.10190	1.3
494.91513	1.3
505.39081	3.4
519.39001	1.2
531.40363	6.5
532.40118	1.4
549.41449	51.6
550.41284	7.2
581.44049	37.3
582.44391	3.8
616.49719	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	616.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	39.5
57.03428	19.4
57.07088	28.9
61.49703	14.6
67.05501	62.1
67.16058	13.2
69.07069	44.8
70.34476	12.7
71.08621	19.1
71.28638	20.8
79.05502	43.5
81.03417	58.1
81.07061	67.9
83.08624	50.1
91.05494	26.3
93.07059	32.6
95.04987	20.5
95.08618	51.7
97.10204	28.4
105.07050	26.7
107.08605	33.8
109.10164	29.5
117.53659	12.4
119.08640	26.3
121.10214	23.0
129.07025	17.3
131.08574	15.8
135.11713	25.2
145.10178	29.6
147.11670	21.2
176.36731	14.7
183.06828	13.7
192.84894	14.0
219.10406	13.6
267.15900	85.6
278.51248	12.4
301.07230	13.9
313.27606	18.3
339.28976	100.0
340.29266	24.6
354.57053	13.5
531.40588	90.1
548.64197	14.0
549.40460	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	617.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03404	0.4
67.05460	0.7
69.03431	1.1
69.20729	1.0
69.21138	0.4
70.67661	0.2
79.05489	1.1
80.04986	0.5
81.03376	0.4
81.05756	0.3
81.07001	0.4
83.04938	0.4
85.02913	0.5
86.06033	0.4
91.05433	0.9
93.05720	0.3
93.07007	0.8
94.06564	2.7
95.07303	0.9
96.08124	1.4
97.02861	0.6
97.06485	0.8
99.04379	0.2
103.05483	0.2
105.06976	0.6
106.06529	0.6
107.07355	1.9
108.08118	3.7
110.09676	2.5
117.05737	0.3
118.06522	0.2
119.04872	0.4
119.08544	0.4
120.08099	3.0
121.08860	0.6
122.06034	1.7
122.08882	0.2
122.09673	4.2
123.09988	0.2
124.07577	0.4
127.03899	0.6
129.06949	0.9
130.06456	0.6
131.06421	0.3
131.07318	5.1
132.07991	0.5
134.09659	1.9
136.07587	1.9
136.11165	1.0
138.08113	0.3
138.09135	5.1
144.08060	0.4
145.08730	0.4
146.09642	8.4
147.04437	1.4
147.07896	0.2
147.10294	0.8
148.07544	0.5
150.07947	0.6
150.09143	11.3
151.09476	0.4
152.07042	0.3
159.06766	0.3
160.07538	0.4
162.09071	0.4
163.03824	0.8
164.07024	0.7
164.10652	0.6
165.11490	0.3
166.08583	0.6
169.50470	0.2
171.09122	0.7
173.07115	0.4
174.09138	12.3
175.08499	0.4
184.09908	0.4
187.08675	0.8
188.05756	0.6
189.06569	0.7
189.10225	1.0
191.08318	0.2
192.10191	2.9
197.10692	0.8
198.07710	0.5
199.08617	0.4
200.09375	1.1
201.06598	1.9
201.09798	0.2
202.07341	11.3
203.07834	0.7
205.09764	0.4
211.08630	0.7
212.09344	0.6
213.06523	0.3
213.10295	1.1
215.08110	1.0
215.11797	0.6
216.10324	0.4
217.09727	8.9
218.08200	0.3
218.10071	0.3
220.09674	9.0
221.10085	0.3
225.10236	0.6
226.07408	0.4
226.10881	0.4
227.08191	0.5
227.11708	0.3
228.08818	0.6
229.09776	0.4
231.07637	0.3
231.11285	0.4
233.09195	3.4
235.10788	2.1
239.08125	0.7
241.09654	0.9
243.07719	0.8
243.11330	1.7
245.09189	0.7
257.09216	5.4
258.09784	0.5
259.10938	1.3
261.08694	100.0
262.09030	5.1
263.10333	0.3
267.11282	0.3
269.09180	0.8
271.10767	1.0
273.08679	0.5
273.11572	0.4
285.08694	5.6
286.09100	0.4
287.07080	0.4
287.10260	6.9
287.15195	0.3
288.10822	0.7
299.10211	1.5
301.11975	0.5
302.12732	1.1
305.07693	1.5
311.12939	0.4
313.08212	6.8
313.11902	0.5
314.08701	0.5
314.12704	0.4
315.09756	1.0
315.13379	0.5
316.14395	1.1
317.11343	0.3
317.15152	0.4
329.15231	0.5
330.12384	0.5
330.15994	0.4
331.09216	6.6
332.09811	0.3
334.15454	0.4
344.13925	0.9
347.16153	0.3
360.13385	1.4
360.17282	0.4
361.14322	2.1
362.14743	0.4
362.18930	0.4
363.16919	1.4
374.14911	2.0
375.15796	0.9
376.16531	0.4
378.18161	0.3
388.16577	0.8
390.18350	0.4
398.17099	16.8
399.17343	1.3
403.15115	0.4
406.17633	6.5
407.18024	0.5
408.19083	0.4
416.16135	0.9
424.18582	0.5
434.17123	10.2
435.17377	1.0
450.16492	0.4
452.18152	10.0
453.18518	0.7
454.19604	1.7
455.20197	0.3
462.16531	0.9
468.17572	2.2
469.75693	0.3
480.17642	22.4
481.17999	2.1
543.26013	1.7
571.25513	1.8
589.26447	3.8
590.26965	0.3
599.25122	0.9
617.26093	14.6
618.26318	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	617.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	0.8
54.25996	0.7
54.57671	0.7
55.01873	1.6
55.05515	4.7
57.03432	2.2
57.07076	2.2
67.05509	6.6
69.03429	7.7
69.07075	4.6
71.01357	0.8
71.05000	1.6
79.05483	5.5
81.03415	4.3
81.07064	3.4
83.04980	15.9
83.24356	0.8
85.02898	4.6
85.06546	9.6
87.04463	1.0
91.05478	2.5
93.07063	1.8
95.04984	2.6
95.08578	1.4
96.04469	0.7
97.02914	4.3
97.06532	34.9
98.06887	2.5
98.22652	1.6
99.04477	1.5
105.07025	1.7
107.07397	1.0
107.08599	1.5
109.02878	1.3
109.10186	0.7
115.03953	1.4
117.07018	1.0
122.09672	3.0
127.03898	1.1
128.06230	0.8
131.08453	0.8
134.06038	1.0
141.07025	2.3
145.04950	1.0
147.04433	1.2
150.09177	2.3
155.08548	1.2
159.08055	0.8
161.04466	0.8
161.05937	0.8
163.03941	3.1
163.11107	0.8
175.07629	0.9
180.06689	2.2
180.10187	1.5
185.05978	0.9
187.07512	1.6
189.09135	1.9
195.08057	1.4
197.05995	1.3
199.07597	2.9
211.07603	2.0
213.09151	1.6
215.07022	4.0
225.09203	0.7
229.08609	0.8
237.09097	1.2
241.08649	3.3
241.12349	2.1
245.06372	2.8
253.11845	0.8
257.09088	0.8
259.09695	5.5
260.10101	0.8
261.08780	2.6
269.11807	0.7
285.11307	0.9
289.05298	3.6
304.37131	0.8
309.14886	2.1
311.12772	19.7
312.13214	2.4
313.08365	1.0
313.14511	1.4
319.13571	1.0
327.15771	1.7
329.13913	1.6
331.09457	1.4
337.14365	4.1
351.28864	2.4
355.15436	10.2
356.15744	1.1
357.16153	0.8
369.29752	5.6
372.26086	0.8
424.10196	0.8
480.17743	2.6
499.19388	1.4
513.34137	1.8
531.35004	6.6
532.35394	0.9
537.34033	1.0
552.31836	0.7
555.34973	1.9
573.27502	0.7
573.36023	18.5
574.36554	3.1
581.33136	1.0
589.26361	0.8
599.25006	1.5
599.33984	10.3
600.34149	1.2
617.26709	5.3
617.35107	100.0
618.35443	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	617.3659
Annotation	Amphidinolide F
Peak:m/z	Relative Intensity
53.03937	0.9
55.01866	0.9
55.05521	2.7
57.03424	0.5
57.07063	1.1
57.65357	0.4
59.04975	0.6
67.05510	5.1
67.19080	0.4
69.03423	1.2
69.07082	2.6
70.44449	0.7
70.44774	0.7
71.08629	0.5
79.05500	4.6
81.03429	1.1
81.07051	4.6
83.04971	1.8
83.08607	1.3
85.06529	0.8
91.05491	4.1
93.07042	7.1
94.07385	0.4
95.04969	2.9
95.08614	3.9
97.06533	1.1
99.08071	0.6
105.07040	5.7
107.04976	0.8
107.08592	4.4
109.06518	1.9
109.10161	1.8
115.05442	0.5
117.07016	1.5
119.04988	0.4
119.08569	5.7
121.06501	1.0
121.10143	6.0
123.08083	2.6
123.11697	0.9
125.05983	0.7
125.09613	0.7
128.06224	0.7
129.07004	1.7
131.08580	2.4
133.06496	0.5
133.10126	3.3
133.55545	0.5
135.08052	1.2
135.11667	1.6
137.09641	1.0
141.06996	0.7
142.07776	0.6
143.08585	2.2
145.06522	0.5
145.10094	4.2
147.08049	1.6
147.11679	1.3
149.09592	1.5
149.13274	0.6
151.07552	2.2
155.08562	1.1
156.09311	0.5
157.10165	2.7
159.08072	0.9
159.11703	1.8
161.09644	1.0
161.13225	0.5
163.11148	2.7
164.11557	0.4
165.09062	2.1
167.10693	4.0
169.10098	1.2
171.11661	1.5
173.09700	0.6
173.13284	1.2
175.11133	0.8
175.14790	0.6
177.12764	0.4
181.10165	0.7
181.12236	1.9
183.08029	0.4
183.11668	1.1
184.07350	0.4
185.09639	0.5
185.13280	0.7
187.11111	0.6
189.12756	1.4
193.10229	0.5
194.10869	0.4
195.11653	0.8
197.13226	1.4
199.14845	0.5
203.14281	1.1
207.13799	1.5
209.13254	0.7
209.15306	0.9
215.14294	0.5
221.13324	0.8
221.15329	4.3
222.15919	0.6
225.16454	0.5
232.31273	0.4
233.15393	1.8
249.11070	0.6
273.18509	0.5
286.19254	1.2
299.19861	0.6
305.13528	1.1
333.20099	0.5
335.21957	8.5
336.22012	0.5
345.21799	0.5
391.24533	7.3
411.02576	0.5
503.26065	0.5
599.40674	1.5
617.36377	100.0
618.36768	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	618.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.01873	1.9
55.05516	3.1
57.03442	3.0
67.05508	3.5
69.03430	16.8
69.07074	5.5
71.04999	2.7
79.05501	15.8
81.03426	7.5
81.07069	2.7
83.04990	2.7
84.17993	1.0
85.02943	2.3
85.06556	2.8
86.06068	2.4
87.04480	2.6
89.03943	1.9
93.07033	1.6
94.06577	2.3
95.05009	2.1
95.07364	1.3
96.08152	4.9
97.02909	6.9
97.06532	55.6
99.04485	4.1
103.58106	1.2
108.08147	1.3
109.02901	1.5
110.09675	5.5
111.08083	1.4
111.10028	1.5
112.04029	1.2
112.08871	2.0
113.06023	3.1
117.03375	2.8
120.08119	3.1
121.08487	1.5
122.06028	1.6
122.09666	2.5
124.07592	3.9
127.03931	3.0
133.02863	2.7
135.04416	3.7
136.07570	2.3
138.09151	21.6
139.09479	6.2
145.02879	6.5
147.04411	3.4
152.07120	2.6
152.58244	1.1
157.06538	1.4
159.04422	3.6
161.02342	11.0
163.03912	34.6
163.05183	2.2
164.04251	1.4
169.06490	1.4
173.02348	15.0
180.06592	4.6
182.08195	1.6
185.05957	6.2
187.03967	1.5
187.07605	1.4
191.03493	2.1
195.08131	2.7
197.06020	1.7
198.07623	2.5
200.04684	2.2
213.09125	1.5
215.07033	43.6
216.07309	2.1
233.08080	2.1
241.08546	10.5
257.09436	1.5
259.09668	100.0
260.10059	4.9
261.08884	1.7
262.09140	1.4
273.11209	16.8
285.12418	2.2
299.10242	1.3
301.11844	1.4
311.12531	1.2
317.11401	1.6
318.11743	1.9
330.11789	1.8
339.12222	1.9
382.63394	1.3
403.13882	28.8
404.14313	1.6
421.14935	3.7
435.16437	4.2
438.76746	1.2
452.18323	3.8
453.18375	4.8
482.19128	1.6
501.17398	3.6
519.18683	3.9
533.20227	2.9
590.26544	1.3
600.25067	2.1
618.27173	2.2
619.27136	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	618.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.9
55.01875	3.0
55.05511	2.9
57.03434	3.8
67.05507	2.2
68.99872	12.8
69.03429	17.0
69.07064	4.8
71.04993	1.5
78.61987	1.1
79.05492	13.7
81.03422	7.6
81.07085	1.5
83.04991	4.1
85.02911	2.3
85.06544	1.9
86.06097	3.2
87.04479	1.7
89.03910	1.6
93.07071	2.3
94.06541	1.9
95.03143	1.2
95.04993	2.5
96.04480	2.0
96.08152	2.3
97.02902	5.3
97.06530	60.2
98.06848	1.4
99.04478	4.2
110.09711	2.9
112.08907	2.6
113.06006	1.7
117.03384	3.4
118.81539	1.3
118.96691	1.2
120.08118	2.3
122.09679	5.0
124.07621	2.7
127.03951	1.7
133.02902	1.4
134.03610	1.6
135.04424	4.2
136.07579	2.1
138.09117	10.7
139.09462	3.8
145.02829	6.2
147.04456	2.4
152.07103	1.9
159.04449	3.5
161.02364	12.2
163.02544	1.6
163.03903	32.9
163.05185	2.1
170.30424	1.1
172.99997	1.2
173.02354	18.5
180.06558	8.0
182.08215	1.4
185.05965	7.1
187.07573	2.8
195.08119	2.0
197.06097	2.4
198.07674	1.5
200.04718	2.4
204.17517	1.3
213.09129	2.2
215.07031	44.4
216.07462	1.6
223.07491	2.2
233.08267	2.1
235.10857	1.5
241.08531	9.5
259.09659	100.0
260.10022	5.5
261.08795	4.6
262.09000	1.8
262.98633	1.2
273.11194	17.0
285.12277	3.3
289.10547	1.2
311.12411	1.5
312.13184	1.3
339.12097	2.4
403.13843	26.3
403.24875	1.3
404.14297	2.8
406.17987	1.7
408.19147	2.5
421.14908	5.3
435.16638	4.3
452.18268	2.4
453.18314	3.4
482.19461	1.8
501.17487	2.1
519.18939	3.4
533.20209	2.0
533.66394	1.4
618.26593	1.9
619.27899	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	619.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05477	0.4
69.97079	0.9
83.12740	0.3
94.06522	0.3
97.06512	0.5
98.23397	0.3
116.10680	0.6
122.05994	0.6
124.07563	0.5
136.07547	0.4
142.32085	0.3
162.09084	0.3
164.06966	0.3
174.09186	0.4
176.10706	0.3
182.08199	0.4
183.10616	0.3
186.07898	0.4
197.10681	0.7
199.12308	0.6
200.09328	0.4
211.08682	0.7
212.09494	0.6
225.10220	7.3
226.10959	7.6
227.11530	0.3
238.09933	0.3
239.11798	0.3
241.13326	6.7
244.08450	0.5
245.09073	0.5
252.71722	0.3
259.09598	0.3
259.14301	1.2
261.08688	1.2
263.10538	0.7
269.09171	1.3
270.09872	1.0
271.10638	0.5
277.12109	0.4
284.11557	4.1
285.12305	100.0
286.12656	5.7
290.12778	0.4
301.11838	1.1
304.14520	0.8
305.15091	0.4
306.16150	0.3
310.11758	2.4
318.12274	0.8
318.15982	0.7
319.16745	3.0
322.11826	1.6
323.12531	0.7
332.13864	0.8
334.11929	0.4
334.15482	0.5
334.19086	1.1
336.13354	1.4
344.24286	0.6
346.15485	1.8
347.16412	1.7
348.13300	1.6
348.17126	0.6
349.14240	0.9
350.14972	0.5
361.14465	0.4
362.11099	3.0
362.14969	1.1
362.18732	1.0
363.15909	0.8
364.16266	1.4
376.12839	5.6
377.13467	2.8
378.13586	0.6
378.18115	8.7
379.18695	0.5
380.19601	1.4
382.21341	0.5
388.16461	0.7
390.14288	2.7
390.17493	0.4
390.18765	0.6
391.15298	4.4
392.16061	1.0
404.15884	0.6
406.17584	54.1
407.17917	5.1
408.19153	36.1
409.19489	3.0
418.17853	0.3
422.20404	0.4
426.20016	0.9
434.17200	0.4
436.18762	1.5
450.16864	0.4
451.17249	2.7
452.18124	43.7
453.18521	4.5
456.21240	0.4
482.19202	42.8
483.19415	3.6
501.28775	0.4
589.17139	0.7
589.26514	11.7
590.26849	1.8
619.27551	68.0
620.27930	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	619.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63494	0.4
59.33568	0.4
66.68082	0.4
67.05460	1.4
69.03403	0.8
69.07028	1.0
70.18853	0.7
79.05457	0.9
80.05036	0.5
81.03382	0.5
81.07010	1.3
83.04920	0.6
83.54642	0.4
86.06026	1.9
91.05436	1.8
93.06997	0.6
94.06516	1.7
96.04458	0.8
96.08094	1.1
97.02879	0.6
97.06506	2.5
105.07027	0.8
107.08587	0.5
108.08057	1.1
109.42569	0.5
116.10742	2.1
119.08531	1.3
122.06046	2.2
122.09648	0.6
124.07600	3.0
129.06924	0.5
131.07265	2.0
131.08514	0.7
136.07581	2.2
138.09151	5.5
142.08621	0.4
146.06013	0.6
146.09657	3.7
147.04356	0.8
147.07983	0.8
148.07448	0.6
148.11137	1.4
150.09105	0.7
152.10707	0.8
161.02377	0.5
161.08315	1.1
162.07979	0.5
162.09261	0.5
163.03864	1.1
164.07069	3.2
164.10704	3.9
173.02296	0.8
174.09142	30.8
175.09587	1.6
176.07050	0.9
176.10692	4.8
182.08189	0.7
186.09143	0.7
187.08649	0.8
189.10327	2.4
192.10133	4.5
198.07845	0.6
199.08694	0.5
200.09355	1.0
201.06607	3.5
202.07356	11.6
203.08011	1.1
204.10158	3.8
211.08643	0.7
212.16466	0.7
213.10194	2.5
214.10982	1.1
215.08368	2.7
215.11702	0.6
217.09697	9.7
218.10081	0.8
220.09837	0.7
221.09985	0.6
222.11229	1.1
227.08151	1.0
227.11746	1.9
228.08749	0.7
229.09731	0.7
229.13316	1.3
231.07674	0.7
231.11230	0.7
233.09232	3.6
234.10004	1.0
235.10695	1.4
240.51395	0.5
241.09784	3.5
242.10442	1.8
243.07718	0.6
243.11143	1.0
245.09236	1.2
245.12778	0.6
255.11290	0.7
257.09189	4.3
257.12943	2.7
258.09927	0.7
259.07343	0.6
259.10022	2.3
260.07870	1.2
261.08691	100.0
262.09039	6.1
263.09637	1.6
269.09091	1.6
273.09036	0.8
273.12271	5.1
274.12881	0.6
275.13812	2.4
283.10895	0.6
285.08716	5.4
286.09186	0.9
287.10245	11.5
288.10742	0.8
290.12814	0.5
300.11047	1.9
301.11804	48.4
302.12103	3.2
305.07846	3.3
307.13409	0.5
313.08173	6.2
315.09656	2.3
318.12317	0.5
319.16785	1.0
322.15561	1.0
326.23175	0.8
331.09195	1.7
332.13928	1.0
334.18976	0.6
335.50760	0.5
344.24277	2.8
345.14914	0.6
346.15262	0.8
347.16074	0.5
348.13467	1.6
349.14178	0.7
350.14856	0.8
352.16565	1.1
362.14954	1.0
362.18771	0.6
363.16953	1.9
364.16595	0.7
373.15048	0.5
376.12875	1.1
377.13596	1.5
378.14163	0.6
378.18286	6.3
380.19995	0.9
381.18393	0.5
388.16406	1.1
389.14465	0.6
390.14346	2.1
391.15497	1.5
392.15781	0.5
394.18018	0.6
396.19403	0.6
398.17038	18.8
399.17374	1.8
406.17599	14.3
407.17319	1.4
408.19089	1.5
416.15878	0.6
418.17688	1.8
419.14612	0.9
420.19244	1.2
424.18625	9.8
425.18958	1.0
426.20190	1.7
434.17099	31.2
435.17258	2.2
436.18573	3.0
446.16821	1.2
450.16489	1.5
452.18158	27.2
453.18423	1.9
454.19614	2.0
456.21097	2.4
457.20325	0.7
464.18259	3.2
468.17184	1.0
482.19226	40.8
483.19504	3.8
506.29535	0.6
508.01184	0.5
543.25928	1.4
549.08490	0.5
571.25415	10.4
572.26050	1.4
573.27167	2.0
589.26556	9.9
590.26929	1.4
601.26349	1.7
619.27502	55.2
620.28015	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	619.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	0.9
55.05475	0.7
58.11881	0.5
60.92130	0.5
65.20242	0.6
67.05482	1.2
69.03390	2.0
69.07047	1.2
69.49546	2.9
79.05460	0.8
81.03394	0.9
81.07017	0.9
83.04943	0.9
85.02869	1.0
85.06511	0.6
86.06017	1.2
91.05470	1.1
93.06993	0.7
94.06496	0.6
95.04961	0.7
95.08568	0.6
96.04380	0.7
96.08144	0.7
97.02874	1.0
97.06548	4.1
99.04465	0.8
107.04901	0.5
108.08136	0.8
111.04463	0.6
116.10705	2.1
119.08489	0.5
122.05968	1.4
122.09716	0.5
124.07531	1.0
127.03922	0.7
134.09589	0.5
136.07584	1.2
147.04370	1.2
149.09573	0.7
161.02359	0.8
163.03842	2.2
164.04300	0.7
173.02328	0.6
182.08095	2.3
186.07869	0.5
197.10600	0.6
199.10733	1.0
199.12372	1.2
200.09349	0.7
213.13913	0.5
214.21333	0.5
215.07050	1.1
216.07430	0.6
225.10246	8.7
226.11008	8.2
227.11346	0.6
240.53720	0.5
241.13377	7.0
242.13831	0.7
244.08389	0.9
245.09146	0.6
259.09689	4.3
259.14307	1.4
260.09976	1.6
261.08548	1.0
263.10519	0.9
266.51617	0.6
269.09134	1.3
281.11728	0.5
284.11536	4.8
285.12323	100.0
286.12601	6.3
290.12860	0.7
291.13574	0.7
302.12830	0.5
310.11841	2.7
318.12411	0.9
318.15891	0.9
319.13489	0.6
319.16766	2.8
322.11765	2.1
332.13940	1.4
334.19101	1.0
336.13489	1.7
344.24280	2.2
346.15475	1.4
347.16217	2.2
348.13342	1.8
348.17111	1.0
349.14301	0.7
350.14960	1.4
352.20142	0.8
355.15149	0.7
362.10999	2.4
362.14896	1.3
362.18781	1.4
363.15942	1.5
364.16360	0.8
376.12943	5.5
377.13507	3.4
378.18201	10.8
379.18564	1.2
380.19751	1.3
382.21033	0.8
390.14157	2.9
390.18896	0.7
391.15247	4.7
392.15927	1.5
404.15942	1.1
406.17603	59.2
407.17990	5.8
408.19171	37.2
409.19525	3.6
426.20392	0.7
436.18915	2.5
451.17355	3.0
452.13492	1.1
452.18115	52.7
453.18964	5.1
482.19202	54.3
483.19501	5.9
506.29544	0.7
589.17310	0.7
589.26605	13.8
590.26965	1.7
619.27594	82.0
620.27954	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	10.7
55.01872	17.6
55.05505	11.9
57.03434	6.8
57.07079	2.0
65.03939	1.8
65.14400	1.3
67.01862	1.6
67.05505	47.0
69.03429	37.5
69.07074	10.4
69.58909	3.6
69.59339	4.6
71.04998	13.1
73.02931	8.7
79.05489	33.7
81.03417	40.1
81.07053	48.5
82.07363	1.9
82.91739	1.4
83.04982	4.7
83.08614	4.8
85.02896	18.1
85.06573	2.0
85.83114	1.6
91.05477	21.7
93.07041	37.8
94.07373	1.9
95.04955	4.4
95.08090	0.8
95.08601	37.5
97.02888	40.2
97.06544	3.3
97.10148	1.4
98.23322	2.7
99.04453	67.4
99.08105	1.2
101.02377	4.5
105.07041	15.8
107.04973	2.0
107.08592	19.3
109.02876	35.6
109.03589	2.6
109.10148	21.7
110.03255	1.4
111.04427	6.7
115.03911	2.1
117.07005	6.9
119.08578	14.2
121.10139	18.5
123.08007	1.6
123.11709	10.6
127.03915	100.0
128.04276	1.6
129.05464	2.7
129.06998	2.2
130.04988	1.7
131.08563	10.5
133.10126	10.9
135.08064	1.9
135.11685	15.3
137.13222	4.7
143.08548	2.2
145.04965	17.7
145.06230	1.7
145.10117	7.7
146.10484	1.4
147.11752	7.3
149.02309	3.8
149.09657	1.8
149.13324	7.3
157.10204	2.3
159.11731	7.8
161.13216	4.9
163.14862	3.8
171.11676	2.5
173.13222	6.6
175.14857	1.5
177.16412	1.8
179.14366	2.1
185.13301	2.1
187.14854	3.8
191.14423	1.4
193.04881	1.6
197.13391	1.6
199.14864	1.9
219.17513	1.8
241.19408	2.1
243.21074	4.9
259.20609	5.8
261.22141	25.3
275.20425	1.3
277.21591	9.4
279.23276	5.5
291.23141	1.9
315.22855	1.9
329.24573	1.9
341.24814	2.4
357.24170	3.7
361.49356	1.4
369.24326	4.1
387.25400	5.3
405.26450	9.0
423.27396	40.6
424.27484	2.3
523.34119	2.1
620.34521	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	620.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.8
55.01870	8.3
55.05510	18.8
57.03432	15.3
57.07058	6.9
67.05503	37.1
69.07069	11.1
71.05015	8.1
79.05493	30.2
81.03413	13.3
81.07065	39.0
83.01348	10.0
83.04975	10.3
83.08632	9.4
85.10155	4.4
86.09718	15.8
87.04449	4.8
91.05482	39.1
93.07054	33.2
95.04992	9.9
95.08611	11.8
97.06564	7.5
97.10213	5.3
98.23404	8.3
105.07021	25.5
107.04980	7.6
107.08601	15.2
109.06548	11.6
109.10181	8.7
117.07040	26.0
119.08585	16.0
121.06525	7.5
121.10165	10.5
123.08086	12.1
125.00034	6.2
129.07001	13.7
131.08592	23.7
131.09378	4.4
133.10135	8.8
135.11696	10.8
141.06964	12.3
143.08563	5.9
145.10168	25.2
151.11012	5.0
155.08566	10.1
157.10152	9.5
161.09631	6.9
163.11188	27.0
169.10178	7.1
171.11609	6.7
173.09555	6.5
183.11729	12.6
184.07324	29.1
187.11174	6.2
197.13300	5.6
199.35498	4.9
201.12698	6.3
209.11787	12.8
227.12845	5.0
267.21085	14.6
283.15372	100.0
284.15738	7.3
285.22104	22.2
359.25778	10.8
585.38043	6.4
620.44476	9.2
621.27319	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	621.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
55.05511	2.2
57.03416	0.4
61.02943	0.6
64.16039	0.3
69.03429	34.6
71.01350	1.5
71.04987	3.5
71.15371	0.5
77.57545	0.3
83.04489	0.5
83.04982	8.6
85.02904	3.7
86.06099	0.5
87.04475	0.6
94.06548	0.3
95.04964	0.3
97.06519	1.0
99.04422	0.6
111.00814	0.8
111.04435	8.8
116.10699	0.7
121.02879	1.1
122.06036	0.9
129.05473	17.5
136.07541	0.5
137.02376	0.5
140.90182	0.3
147.04387	0.6
153.01816	1.8
163.03914	0.5
164.07051	1.0
165.01817	1.1
183.02930	0.8
188.07150	0.3
189.07576	4.7
197.06036	0.4
203.08235	0.6
204.06490	0.4
212.16489	0.4
213.05527	1.1
217.09676	0.5
221.64156	0.3
222.45972	0.3
227.08235	0.3
231.06506	0.6
245.09233	0.8
257.09256	0.3
258.05286	0.5
259.06107	0.5
259.81335	0.3
261.08798	0.8
263.10275	1.3
287.05481	100.0
288.05823	4.5
302.12686	0.4
305.11298	1.1
326.23117	0.3
329.06619	0.6
332.96411	0.3
344.24365	0.6
379.08072	0.4
392.67661	0.3
395.16052	0.4
397.09415	0.5
420.15469	0.9
421.15195	0.3
426.20386	0.5
433.11206	4.8
434.11850	0.4
448.14990	0.5
450.16672	0.6
468.17340	0.5
557.24097	1.6
621.27673	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49807	0.8
50.82708	0.8
50.92461	0.7
65.60395	0.9
65.95094	0.9
67.05489	1.7
69.03421	2.0
69.06046	5.8
69.06447	2.4
71.15579	0.9
73.21604	0.8
81.07030	1.1
82.06577	1.0
91.05473	1.8
94.06577	1.5
95.05006	1.4
95.15757	0.9
97.02905	1.1
97.06566	1.1
98.22556	1.5
104.62358	0.8
108.08105	2.5
122.06045	2.4
132.16772	0.8
136.07568	4.6
137.97514	0.8
138.05528	1.8
138.98524	0.7
147.04419	1.6
154.15060	0.8
160.07596	1.3
162.05492	1.5
163.03903	1.3
164.07076	4.1
178.08676	2.0
199.08716	1.6
200.09435	2.7
201.10335	1.0
202.07330	4.8
202.81209	0.8
213.10265	1.2
217.09720	5.4
225.10284	1.3
227.08224	1.5
228.08926	2.8
233.09300	2.5
241.09885	1.1
243.11296	2.5
245.09155	1.0
257.09247	1.2
259.10666	3.8
260.12967	1.0
261.08710	34.1
262.08972	2.7
269.09146	6.2
273.12369	1.5
285.12512	1.1
287.10254	21.0
288.11115	3.5
290.16568	1.2
301.11902	6.6
302.12833	3.7
303.13669	2.4
304.14563	2.1
305.11371	1.6
305.15036	1.3
315.13596	1.1
316.10773	2.1
316.14328	1.1
317.15262	1.6
318.12415	1.1
330.12436	1.0
331.13049	1.6
332.13885	2.4
334.11935	1.9
336.13297	1.1
346.11832	4.3
346.15613	1.7
347.12567	2.4
348.13297	7.3
348.17166	1.4
349.14066	1.4
350.14981	4.0
360.13370	4.6
361.14136	4.0
362.15045	7.5
363.15637	3.2
364.12790	3.6
364.16681	5.3
374.15189	2.0
376.12576	5.8
376.16693	3.1
377.13763	2.2
378.14349	1.7
378.18451	1.7
379.16397	1.6
380.19891	1.5
389.13599	3.3
390.14407	7.1
391.15295	2.2
392.15933	2.6
394.17606	10.2
395.17847	1.0
396.19147	2.6
397.12512	1.1
398.17093	3.8
402.14087	1.3
404.15982	4.0
405.13159	3.1
406.17584	3.0
407.14648	9.3
420.15500	27.6
421.16058	8.6
422.17072	78.0
423.17508	6.5
433.12589	6.5
437.12164	45.4
438.12341	3.8
440.18347	5.6
442.19534	1.5
448.14960	2.6
451.13739	21.2
452.14206	1.8
466.16083	51.8
467.16266	4.3
468.17468	2.1
484.17325	1.9
541.24561	9.1
559.25488	100.0
560.25818	11.4
577.26477	1.9
603.24390	29.5
604.25116	4.2
621.25549	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	621.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49807	0.8
50.82708	0.8
50.92461	0.7
65.60395	0.9
65.95094	0.9
67.05489	1.7
69.03421	2.0
69.06046	5.8
69.06447	2.4
71.15579	0.9
73.21604	0.8
81.07030	1.1
82.06577	1.0
91.05473	1.8
94.06577	1.5
95.05006	1.4
95.15757	0.9
97.02905	1.1
97.06566	1.1
98.22556	1.5
104.62358	0.8
108.08105	2.5
122.06045	2.4
132.16772	0.8
136.07568	4.6
137.97514	0.8
138.05528	1.8
138.98524	0.7
147.04419	1.6
154.15060	0.8
160.07596	1.3
162.05492	1.5
163.03903	1.3
164.07076	4.1
178.08676	2.0
199.08716	1.6
200.09435	2.7
201.10335	1.0
202.07330	4.8
202.81209	0.8
213.10265	1.2
217.09720	5.4
225.10284	1.3
227.08224	1.5
228.08926	2.8
233.09300	2.5
241.09885	1.1
243.11296	2.5
245.09155	1.0
257.09247	1.2
259.10666	3.8
260.12967	1.0
261.08710	34.1
262.08972	2.7
269.09146	6.2
273.12369	1.5
285.12512	1.1
287.10254	21.0
288.11115	3.5
290.16568	1.2
301.11902	6.6
302.12833	3.7
303.13669	2.4
304.14563	2.1
305.11371	1.6
305.15036	1.3
315.13596	1.1
316.10773	2.1
316.14328	1.1
317.15262	1.6
318.12415	1.1
330.12436	1.0
331.13049	1.6
332.13885	2.4
334.11935	1.9
336.13297	1.1
346.11832	4.3
346.15613	1.7
347.12567	2.4
348.13297	7.3
348.17166	1.4
349.14066	1.4
350.14981	4.0
360.13370	4.6
361.14136	4.0
362.15045	7.5
363.15637	3.2
364.12790	3.6
364.16681	5.3
374.15189	2.0
376.12576	5.8
376.16693	3.1
377.13763	2.2
378.14349	1.7
378.18451	1.7
379.16397	1.6
380.19891	1.5
389.13599	3.3
390.14407	7.1
391.15295	2.2
392.15933	2.6
394.17606	10.2
395.17847	1.0
396.19147	2.6
397.12512	1.1
398.17093	3.8
402.14087	1.3
404.15982	4.0
405.13159	3.1
406.17584	3.0
407.14648	9.3
420.15500	27.6
421.16058	8.6
422.17072	78.0
423.17508	6.5
433.12589	6.5
437.12164	45.4
438.12341	3.8
440.18347	5.6
442.19534	1.5
448.14960	2.6
451.13739	21.2
452.14206	1.8
466.16083	51.8
467.16266	4.3
468.17468	2.1
484.17325	1.9
541.24561	9.1
559.25488	100.0
560.25818	11.4
577.26477	1.9
603.24390	29.5
604.25116	4.2
621.25549	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	621.2703
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
52.55806	0.7
57.03442	0.9
57.07087	1.2
65.32844	0.8
67.05502	2.5
69.07057	1.4
70.32291	0.8
70.74835	0.8
71.08635	1.1
73.43948	1.2
79.05504	1.7
80.53133	0.7
81.07046	1.8
91.05460	2.1
93.07057	1.4
95.08601	1.1
105.07050	1.5
109.10161	0.9
118.06541	1.0
120.08125	1.7
209.10809	1.4
210.11531	1.1
217.15959	0.8
221.10712	2.0
223.12471	2.9
224.13055	1.5
225.13882	3.9
233.10753	1.6
235.12373	1.8
237.13959	2.6
239.15207	1.1
249.10364	2.5
249.13887	1.8
251.08162	1.0
273.18640	1.1
275.08307	1.1
291.19629	1.0
313.27515	1.4
314.13013	1.0
335.10483	1.0
337.12024	1.5
338.12955	1.5
366.16113	1.5
376.18036	1.1
387.16315	1.2
389.17630	1.0
396.13565	1.1
401.17847	2.4
402.18225	1.3
403.19153	2.4
412.16397	0.9
415.14932	1.3
416.16190	1.6
417.16489	1.7
417.21210	1.3
418.21912	1.2
419.22440	1.0
426.18335	1.7
428.16858	1.1
429.17279	3.3
430.17905	3.1
431.18515	3.2
431.23172	1.9
432.19260	1.7
443.18784	2.9
444.19363	2.8
445.20340	4.0
446.21017	3.6
447.21863	3.8
454.17792	1.9
458.21359	1.6
459.22025	6.3
460.22818	1.4
471.17715	1.7
472.19000	1.4
474.19885	1.2
475.21405	3.4
476.21982	1.0
486.20313	1.1
487.21402	7.6
488.21893	2.0
501.22714	2.3
515.20557	2.3
518.22925	1.8
519.24036	2.3
529.22382	3.2
533.25952	4.1
534.22729	1.5
546.22540	1.6
547.12701	0.9
547.23389	2.2
561.24884	100.0
562.25262	12.5
589.24261	10.5
621.27045	62.7
622.27264	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	621.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
67.49067	0.6
70.77166	1.3
89.10327	0.6
121.31686	0.5
139.37311	0.6
171.97264	0.7
191.60005	0.6
197.10712	0.8
207.09085	0.7
216.20520	0.5
223.12180	0.6
225.13707	0.6
237.13814	0.7
375.16013	0.8
387.16061	1.0
388.16873	1.3
389.17447	2.9
390.18472	1.3
401.17801	1.2
402.18475	1.7
403.14572	0.8
403.19510	5.4
404.20258	2.8
405.20538	2.4
415.19324	1.1
416.16101	1.6
417.16898	3.2
417.20831	3.2
418.17160	1.3
418.22034	1.1
419.17377	0.6
419.22415	9.9
420.22772	1.6
429.16693	0.7
430.17114	1.2
431.17999	6.4
432.18936	2.9
433.20111	1.3
443.18716	0.9
444.19659	1.1
445.20071	7.0
446.21039	8.1
447.21774	14.7
448.22070	2.0
459.17404	1.8
459.21948	3.4
460.18054	0.8
460.22995	1.0
461.19687	1.1
473.18777	1.2
473.24203	1.1
474.20374	12.7
475.21262	18.5
476.21658	2.3
487.21371	5.8
488.21994	2.1
489.23438	0.8
491.20776	1.3
501.22879	4.0
502.23065	1.2
505.25821	1.7
519.22363	0.5
529.22455	1.7
533.25494	14.0
534.25330	1.8
546.22418	1.1
547.23401	1.0
561.24963	91.2
562.25323	11.1
589.24670	3.1
590.23761	0.8
593.27631	5.0
594.28711	0.6
621.27069	100.0
622.27435	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	621.2702
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
59.59669	0.4
69.65472	1.8
239.39067	0.4
375.15829	1.1
387.16418	0.8
388.17160	1.1
389.17664	2.5
390.18188	1.1
391.19281	0.6
401.17874	0.8
402.18472	1.4
403.15140	0.7
403.19431	3.6
404.19882	1.5
405.20819	2.4
415.19739	1.0
416.16043	0.9
417.16156	3.2
417.21216	1.8
418.17209	0.8
418.21783	1.2
419.18112	0.4
419.22467	5.1
430.17764	0.7
431.18246	6.4
432.19098	3.1
433.20230	2.2
443.18399	0.5
444.19537	1.1
445.20245	4.5
446.21045	6.6
447.21744	7.9
448.22275	1.2
459.17007	0.7
459.22385	1.2
460.22763	0.9
461.19968	1.4
473.23923	0.7
474.20407	5.3
475.21228	7.4
487.21426	2.5
488.22098	0.9
491.20813	0.9
501.23007	1.0
505.22064	0.5
505.26089	0.4
532.77838	0.5
533.25616	11.5
534.25684	1.5
546.22382	0.8
561.25000	19.1
562.25330	2.5
589.24286	0.7
593.27600	3.9
594.27496	0.5
621.27051	100.0
622.27350	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	621.2706
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
50.76303	0.4
55.05509	0.8
57.07061	1.2
67.05503	2.1
69.07081	0.9
71.08641	0.9
79.05489	1.0
81.03430	0.6
81.07051	1.8
85.10183	0.6
90.83823	0.3
91.05492	1.4
93.07048	1.0
95.08609	1.0
98.23495	0.8
98.98466	0.4
105.07008	1.1
107.04959	0.5
107.08602	0.9
108.01540	0.4
109.10164	1.0
119.08531	0.5
130.75883	0.4
130.87109	0.4
133.10120	0.8
145.10165	0.6
184.73729	0.5
258.88986	0.4
273.18616	0.6
291.19666	1.2
313.27496	1.4
375.16235	0.6
387.16202	0.9
388.16977	1.3
389.17633	2.5
390.18597	1.3
391.18842	0.8
401.18045	1.0
402.18637	1.7
403.19406	3.3
404.19940	2.9
405.20663	1.7
413.17789	0.6
415.14719	0.5
415.19556	1.1
416.15759	0.9
416.20264	1.2
417.16608	1.4
417.21747	2.7
418.21524	1.5
419.22372	4.5
420.23022	0.9
427.19275	0.6
429.21307	0.8
430.17178	0.7
430.22159	0.7
431.18488	2.0
431.22675	2.0
432.19370	1.6
433.19775	0.8
445.15552	1.0
445.20737	3.4
446.20935	3.1
447.21640	6.3
448.22089	0.9
459.17102	3.3
460.18121	0.6
461.19440	2.0
473.19830	2.1
474.20316	7.1
475.21204	12.5
476.21671	1.6
477.23004	0.5
487.21323	3.7
488.21927	1.5
501.22980	2.8
502.23352	0.6
505.26462	1.9
519.20227	1.3
523.39453	0.7
533.25671	7.4
534.26263	0.6
546.22559	0.9
547.23199	0.5
549.41260	0.4
561.24939	28.3
562.25256	3.9
589.24170	2.0
593.27509	0.7
621.27032	100.0
622.27423	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	621.2707
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.05509	0.9
57.07092	0.4
67.05504	1.5
71.08639	0.4
75.47678	0.4
79.05505	1.2
81.03444	0.4
81.07072	1.2
82.75073	0.4
83.08599	0.5
91.05477	1.2
93.07059	0.5
95.05000	0.4
95.08627	1.0
98.22629	0.9
105.07045	0.9
109.10201	0.5
111.08087	0.4
116.80431	0.4
119.08597	0.4
129.06992	0.5
133.10176	0.4
135.11632	0.4
145.10135	0.7
147.08113	0.6
171.11771	0.4
190.13780	0.4
207.09151	0.4
218.15985	0.4
243.08554	0.4
273.18481	0.5
373.14597	0.7
375.16226	1.3
387.16245	0.9
388.16656	1.1
389.17697	2.6
390.18503	0.9
400.16766	0.4
401.13232	0.5
401.17871	1.4
402.18677	2.0
403.19534	5.0
404.19852	2.5
405.20700	2.6
415.14969	0.8
415.19620	1.0
416.15775	1.7
417.16190	4.2
417.21115	2.5
418.17697	1.6
418.22031	1.1
419.22403	7.3
420.22864	1.3
429.16708	0.5
430.17343	1.9
431.18066	8.0
431.23730	0.4
432.19296	4.0
433.20004	3.4
444.19745	0.6
445.20175	7.1
446.20956	7.7
447.21765	11.6
448.22284	1.1
458.20706	0.5
459.17453	1.2
459.21997	2.6
460.23212	0.9
461.19318	1.8
463.21307	0.6
473.19427	1.3
473.24347	0.8
474.20282	6.3
474.25732	0.4
475.21259	8.7
476.21771	1.2
478.23151	0.7
487.21213	3.1
488.22018	1.0
491.20615	0.9
501.22870	1.7
502.23392	0.5
505.26254	1.2
506.23105	0.5
518.22839	0.5
519.20599	1.1
529.22046	0.9
533.25464	14.9
534.25549	2.2
561.24969	24.0
562.25281	3.2
589.24420	1.4
593.27655	4.0
594.28076	0.6
621.27032	100.0
622.27313	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.4
55.01859	0.7
55.05508	3.2
57.03438	0.6
58.94042	0.5
64.49082	0.4
67.05500	4.9
69.07037	1.9
70.70524	0.4
71.04987	0.4
71.08633	0.4
79.05498	3.7
81.03399	1.1
81.07056	3.4
83.04955	1.0
83.08588	0.9
83.22801	0.4
86.09692	0.9
91.05470	4.2
93.07059	2.9
95.04948	0.9
95.08611	2.4
96.39413	0.4
97.10147	1.5
103.43197	0.4
105.07030	2.5
107.04934	0.8
107.08578	2.2
109.06492	0.6
109.10151	1.4
115.05466	0.6
117.06984	1.8
119.08580	2.5
121.10090	1.2
124.99953	0.6
125.09627	0.7
128.06180	0.5
129.06970	1.6
131.08549	2.1
133.10086	1.7
135.07986	0.7
141.06982	0.6
143.08507	1.2
145.10098	1.8
147.11678	0.6
155.08542	1.2
157.10059	1.3
159.11641	0.6
167.08585	0.5
169.10100	1.2
171.11679	1.1
172.03738	0.4
181.10085	0.7
183.09206	0.6
183.11667	1.1
184.07320	2.4
189.11234	0.5
195.11717	0.6
197.13191	0.8
209.10635	0.9
209.13284	0.6
217.15851	0.4
221.10794	0.6
223.08711	0.6
225.16327	0.5
228.94482	0.5
235.08340	0.5
237.10248	0.5
273.18552	0.4
275.19949	1.2
286.13205	0.4
291.19586	1.1
298.13165	0.5
361.14270	0.7
362.15286	1.4
363.15979	2.0
364.16968	0.7
375.15964	1.6
376.16824	1.9
377.17792	4.0
378.18634	2.2
379.19009	1.2
379.29959	0.6
387.15643	0.9
388.16953	0.9
389.17889	2.1
390.18121	1.5
391.14630	2.8
391.19757	4.1
392.15509	0.7
392.19775	1.4
393.20746	5.5
394.20901	1.0
401.17630	0.8
402.18231	1.2
403.19678	2.4
404.15872	1.5
404.20663	2.4
405.16431	5.3
405.20773	1.9
406.17511	1.9
406.22177	0.6
407.18185	1.2
414.18314	0.8
415.19308	2.0
416.20181	2.1
417.15927	0.8
417.21457	2.9
418.16995	1.2
418.21881	0.9
419.18716	5.6
420.19232	3.3
421.15051	0.6
421.20102	7.5
422.20389	0.8
428.19910	0.8
429.21292	2.1
430.21750	1.0
431.17487	0.9
431.22177	2.0
433.16171	2.5
433.23953	1.7
434.16824	1.3
435.17310	0.7
435.22226	0.9
443.17621	0.6
443.22919	0.5
444.23120	0.9
445.19159	1.3
445.23856	1.6
446.24237	0.7
447.17432	4.5
448.18756	5.3
449.19470	8.6
450.19916	0.9
457.20111	0.7
459.21613	1.5
461.19937	4.0
462.20816	3.5
463.20660	1.8
472.22516	0.6
473.22852	1.9
474.24402	2.1
475.21884	4.5
476.17407	3.1
477.18015	2.5
477.22592	5.6
478.23117	0.6
479.23959	1.4
487.25177	3.3
489.18420	3.9
490.18671	1.0
491.23914	2.3
503.20120	2.4
505.25684	1.3
506.26138	1.2
507.23993	5.5
515.24005	0.7
517.22571	0.7
518.22937	0.7
519.19550	0.6
519.27313	0.7
520.20673	0.8
523.26306	0.6
525.35431	0.5
531.22711	0.5
531.37677	0.5
532.25055	0.8
535.23303	13.7
536.23395	1.6
545.25598	3.9
546.25903	0.9
547.20032	0.6
547.27081	7.6
548.27002	0.8
549.25031	6.6
550.25629	10.2
551.25653	0.7
563.22748	27.4
564.21930	3.2
577.27753	0.6
579.29663	5.4
580.30219	0.6
591.26135	7.4
592.25244	0.9
595.25403	4.2
605.27606	11.8
605.42065	1.2
606.26794	1.6
623.24939	100.0
623.42645	5.5
624.25214	13.5
624.39862	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47239	0.9
51.61658	1.1
55.01865	1.7
65.03943	1.5
67.05497	3.2
69.03400	1.0
69.14158	5.8
69.14563	2.0
75.12801	0.9
78.12959	0.9
79.05495	1.2
81.07050	1.4
83.04987	2.4
83.59177	1.0
91.05479	9.9
93.05801	2.9
93.07056	8.4
94.06572	5.1
95.04976	2.3
96.04504	1.8
98.06078	1.3
104.92580	0.9
108.08110	18.5
108.78220	1.2
109.08534	1.0
110.05367	0.8
110.06063	4.6
117.07020	1.4
118.06557	2.5
119.04935	8.5
121.06536	1.5
122.06027	15.2
122.06765	1.3
123.05550	1.5
134.06090	1.0
134.09653	1.2
136.07567	28.9
136.08516	2.0
138.09146	3.0
140.07051	3.8
146.06035	3.3
147.04404	7.1
148.07603	2.4
149.07108	2.9
154.08623	16.7
160.07666	2.6
162.05605	2.0
162.09167	1.8
163.08713	3.9
164.07065	100.0
165.07439	3.6
172.07584	1.3
174.09193	2.3
175.05020	1.7
175.08696	1.3
176.07138	1.1
177.06584	5.4
180.10257	4.0
181.09723	6.8
186.09081	1.1
188.07018	1.6
190.08687	3.4
191.08176	4.8
192.10303	1.4
198.09204	1.5
200.07178	2.7
201.06528	1.5
201.10313	1.4
202.08678	4.4
203.08130	4.7
204.06673	3.5
208.09782	3.3
212.10811	1.7
213.10138	1.4
215.08243	2.2
215.11798	1.9
216.10292	2.2
217.09657	5.8
218.08185	3.9
219.08876	1.2
220.09692	2.7
223.53772	1.1
226.08817	1.3
227.11754	1.4
228.06641	2.6
228.10213	3.1
229.06151	2.0
229.13324	1.5
230.08183	2.8
230.11777	1.4
234.10034	2.4
235.10806	1.5
240.10211	1.7
241.09744	2.2
242.08118	2.0
243.07683	2.1
243.11383	2.5
244.09789	3.2
245.09276	6.3
245.12929	2.0
247.10646	1.3
248.09155	1.1
257.12857	5.3
258.11301	20.4
259.11096	1.3
260.12897	2.5
261.08658	10.7
261.11325	1.2
261.12408	1.2
263.10226	6.3
267.11392	1.3
271.10751	1.3
272.09201	3.7
272.12735	1.2
273.12357	1.5
274.12875	1.3
275.13806	5.4
285.12384	4.2
286.10635	1.5
287.10291	11.8
287.13483	1.7
289.11942	1.7
295.14694	1.1
300.11227	1.1
301.11841	20.6
302.12024	2.1
302.15012	3.3
305.11279	14.1
307.12891	2.4
312.13739	1.2
330.14520	11.1
337.15491	1.9
347.13046	1.0
351.17188	2.3
355.16367	2.0
361.15598	1.3
366.18463	1.5
369.18051	2.2
378.18082	1.7
379.12354	1.4
379.16559	8.3
380.16296	1.0
381.18005	1.8
383.16098	1.5
396.19241	2.8
397.17593	23.2
398.17429	2.0
406.17661	1.4
407.16284	6.7
420.19131	1.3
422.16849	2.2
424.18597	11.0
425.17062	60.2
426.17355	7.9
440.18301	1.6
442.19717	28.8
443.18890	4.3
450.16293	5.4
460.20697	16.2
468.17694	37.9
469.18185	4.9
484.21103	2.1
493.20645	2.3
494.21002	1.4
528.79657	1.2
559.25769	2.1
587.25153	4.8
588.24200	1.7
591.30884	1.2
605.26007	44.1
606.26685	5.3
623.27063	50.2
624.27277	5.6
652.07983	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15490	0.7
55.01871	1.1
58.77781	0.7
63.69168	0.8
65.03941	1.0
66.19618	0.7
67.05500	2.6
69.03450	1.2
69.18660	0.8
70.06578	0.8
70.07578	2.8
79.05457	1.1
91.05493	7.0
91.91973	0.9
93.05797	2.2
93.07053	7.1
94.06570	3.5
95.04967	1.4
96.04516	1.6
98.06046	0.8
98.23286	0.7
100.29324	0.8
100.67800	0.8
108.04494	0.9
108.08114	15.9
109.06526	1.0
110.06041	3.9
117.06969	1.1
118.06543	1.2
119.04961	5.6
120.08078	0.9
121.06504	2.3
122.06049	11.6
123.06864	1.2
124.07653	1.1
136.07585	25.2
138.09158	1.7
140.07080	2.9
146.06039	3.6
147.04411	3.1
148.07561	0.9
149.07140	2.5
150.05423	1.0
154.08626	11.4
154.92671	0.8
160.07594	2.2
162.05525	1.1
162.09135	1.3
163.08713	2.2
164.07072	100.0
165.07452	3.2
172.07669	1.4
173.07239	0.9
174.05554	0.8
174.09206	1.6
175.05087	1.6
177.06639	2.8
180.10225	2.2
181.09679	6.3
186.05632	0.9
188.07080	2.1
189.10291	1.1
190.08638	1.9
191.08167	5.2
198.09067	0.8
200.07275	1.3
201.06621	1.4
202.08792	4.5
203.08113	5.5
204.06575	3.2
205.09819	0.9
208.09727	1.9
212.10831	1.0
215.08302	0.8
215.11868	1.3
216.10350	1.6
217.09789	4.3
218.08124	2.1
220.09698	1.4
227.08321	1.2
228.06561	2.1
228.10313	2.0
229.06161	2.2
230.08170	3.4
230.11737	1.1
233.09128	1.1
235.10855	1.9
241.91310	0.9
242.10483	1.0
243.11343	1.7
244.09773	2.2
245.09196	7.6
245.12965	1.4
246.07692	2.4
248.09229	1.5
257.12839	3.1
258.11334	6.9
258.13690	1.1
259.10941	3.4
260.12894	1.5
261.08789	8.2
261.12469	1.6
263.10291	9.0
270.07535	1.0
271.07202	1.7
272.09238	2.3
273.12308	1.2
275.13971	2.7
285.12280	4.5
287.10342	9.5
289.08429	1.4
289.11826	2.0
299.13898	1.4
300.02841	0.8
301.11826	16.6
302.15091	3.0
305.11368	14.2
306.11838	1.1
307.12915	1.7
312.13260	1.1
313.08185	1.3
315.09818	1.6
330.10846	1.2
330.14526	8.9
333.10696	0.9
337.15521	1.3
338.14899	1.1
339.17105	1.0
351.17123	1.7
352.15588	0.9
355.16663	1.9
361.15665	0.8
365.14905	1.9
366.18286	1.3
369.18219	1.7
379.17035	4.5
382.17496	1.4
383.16241	0.9
397.17590	10.4
398.17072	2.7
406.17676	1.5
407.16043	5.0
420.19037	1.9
422.17191	4.1
424.18637	7.6
425.17078	30.1
426.17368	2.7
438.20273	2.2
440.18668	1.0
442.13721	1.2
442.19748	20.1
443.19705	1.8
450.16479	4.4
452.18088	1.1
460.20798	13.2
460.26730	1.0
468.17691	30.6
469.17999	2.8
470.19333	2.3
486.18945	2.6
493.20963	1.4
587.24652	5.9
605.26038	37.2
606.25995	5.8
623.27112	32.4
624.27454	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	623.271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94261	1.0
53.03947	1.7
55.01871	4.7
57.36712	1.1
65.03937	2.2
67.05502	5.6
68.80518	1.2
69.03436	1.8
69.15243	6.1
69.15652	2.6
71.02457	1.5
83.04977	3.6
91.05486	6.6
93.05800	2.7
93.07034	5.0
94.06579	9.8
96.04491	2.6
97.06543	2.3
98.06026	2.5
98.23380	2.2
106.06579	1.3
106.87899	1.2
108.08112	10.2
109.06537	2.4
110.06049	6.4
118.06556	1.9
119.04941	3.6
120.08118	1.9
121.06506	2.5
122.06032	27.1
123.06828	2.1
124.03942	1.5
124.07616	3.3
127.52767	1.2
134.05966	1.6
136.07582	32.6
138.09134	3.7
140.07080	7.1
141.19684	1.2
146.05966	2.4
147.04398	4.4
148.07579	3.1
149.07095	1.5
150.05519	3.9
154.08640	17.7
160.07594	5.8
162.05524	3.2
162.09125	2.9
163.08612	1.4
164.07069	70.8
165.07309	2.9
172.07599	3.6
173.07002	1.6
174.05501	1.6
174.09125	6.2
175.08685	4.3
176.07045	2.4
177.06606	8.2
181.09729	19.0
182.08124	1.3
182.10060	1.5
184.07507	1.3
186.05397	2.2
187.08624	3.4
188.07117	6.1
189.10245	3.5
190.08601	4.3
191.08156	21.8
199.08664	2.3
200.07053	4.5
201.06644	6.9
201.10262	3.4
202.08739	21.8
203.04514	1.4
203.08139	37.4
204.06577	21.7
204.08401	2.6
205.09752	2.1
206.08180	1.4
213.10214	3.8
214.10864	1.5
215.08211	2.9
215.11786	5.1
216.10321	1.8
217.09729	23.3
218.08209	1.7
219.11417	1.9
220.09743	3.7
227.08144	3.6
228.06642	2.1
228.08907	1.5
229.06081	22.0
229.09662	2.8
229.13420	2.9
230.06300	1.4
230.08163	14.6
231.07629	4.2
231.11276	4.1
233.09273	3.4
234.09856	1.9
235.10741	5.8
241.09706	4.2
242.10513	1.7
243.07626	9.4
243.11285	4.8
244.09781	1.8
244.11903	1.8
245.09210	38.7
245.12856	6.9
246.05180	1.2
246.07602	6.6
246.09753	1.7
247.10706	4.5
248.09219	10.6
257.09177	3.8
257.12766	6.2
259.10748	7.9
261.08728	12.9
261.12323	2.8
263.10269	46.7
263.13046	2.4
264.10730	2.8
265.11911	1.4
269.09155	4.2
271.07166	11.7
271.10117	1.5
272.09210	4.8
273.12354	2.8
274.13156	3.2
275.13898	10.0
276.12283	2.5
277.11774	2.4
279.13403	1.3
285.08768	2.5
285.12216	2.8
287.10254	28.6
289.08215	8.2
289.11734	4.3
291.09848	1.7
299.13843	4.7
301.08350	1.0
301.11838	29.1
302.12143	2.6
305.11304	100.0
306.11609	5.9
307.12860	16.3
313.08072	3.5
315.09760	2.5
317.14984	2.3
319.12836	3.9
321.14243	1.9
326.15030	1.6
331.09195	2.8
333.10742	5.5
335.16226	2.3
336.17279	3.0
337.15631	1.5
338.14972	3.8
340.13068	1.4
352.16513	2.1
355.16507	3.2
366.18167	13.2
376.16299	2.3
378.18085	5.0
380.15845	2.7
382.17807	2.3
394.17645	1.7
396.19235	2.4
397.17239	3.6
398.16943	6.7
400.18793	3.2
406.17352	1.4
414.20236	3.9
420.19080	7.9
422.16864	6.4
424.18860	8.6
425.17227	2.3
426.16827	3.0
438.20407	9.9
439.20535	1.7
440.18234	9.1
442.19742	52.1
443.20316	6.9
450.16592	7.5
452.17957	2.4
460.20804	39.9
461.21097	4.3
466.19931	2.3
468.17661	51.9
469.18030	6.0
470.19138	10.7
471.19934	1.6
484.20709	1.7
486.18729	7.7
487.23950	1.8
541.24384	2.8
559.25635	7.5
560.25366	2.3
569.24146	2.0
587.25018	8.5
605.26013	59.6
606.26440	11.0
623.26929	13.9
624.27325	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	623.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01865	1.5
56.05017	0.6
63.65171	0.7
65.03937	1.1
67.05507	3.4
69.15733	3.6
71.02449	0.9
75.34458	0.5
79.05466	0.8
81.07017	1.0
83.06104	0.6
89.53444	0.6
91.05481	7.1
93.05791	3.0
93.07039	6.6
94.06552	2.5
94.07388	0.6
95.04916	1.6
96.04483	1.7
105.04496	0.8
108.08111	15.3
109.06531	0.8
110.06022	2.5
110.80387	0.6
111.39610	0.6
118.06512	1.7
119.04922	6.8
120.08077	1.1
121.06551	3.3
121.07320	0.7
122.06018	9.7
123.05513	1.4
123.06791	0.8
124.07590	1.3
134.06097	0.7
134.09688	0.6
135.09198	1.1
136.07582	20.3
136.77354	0.6
137.07909	0.9
138.09126	1.8
140.07043	1.9
146.05986	2.9
147.04398	4.2
148.07597	1.1
149.07069	2.5
154.08623	10.2
160.07567	1.7
162.09158	1.2
163.08647	1.4
164.07062	100.0
165.07419	4.0
172.07542	0.9
174.09169	1.8
175.04997	1.1
175.08647	0.9
176.07036	1.0
177.06627	4.5
180.10164	1.4
181.09663	2.8
188.07018	1.5
189.10268	0.8
190.08655	1.6
191.08142	2.7
192.10245	1.2
200.07079	0.9
201.06567	0.7
202.08691	3.7
203.08148	4.6
204.06578	2.3
209.79204	0.6
213.10248	1.4
215.08252	1.1
215.11768	1.5
216.10236	1.4
217.09706	3.3
219.09154	0.7
219.11264	0.9
220.09500	0.7
227.08167	0.7
227.11662	0.7
228.06631	1.6
228.10268	0.7
229.06125	1.7
229.09778	1.1
230.08090	2.6
231.11214	0.7
233.09282	1.1
235.10725	1.1
241.09602	0.8
242.08253	1.1
243.11272	1.3
244.09732	1.2
245.09190	4.8
245.12889	1.1
246.07512	1.2
247.10812	0.9
248.09204	2.2
255.11504	0.9
257.12839	2.6
258.11288	2.5
259.10684	1.2
260.12741	0.6
261.08762	4.0
261.12408	1.5
263.10318	5.4
269.09012	1.2
271.07172	1.2
271.10699	1.0
272.09109	0.8
273.12442	0.9
275.13919	3.9
284.13986	1.0
285.09436	1.0
285.12268	4.5
287.10306	4.0
287.13589	1.1
289.08597	0.6
289.11868	1.4
295.14352	0.8
299.13965	0.8
300.11081	0.8
301.11819	8.7
302.14984	4.1
305.11371	9.9
307.12848	1.3
310.37585	0.7
313.08069	0.7
330.10938	0.5
330.14502	13.0
331.14880	0.7
338.14438	0.8
352.15826	0.8
354.14560	0.7
355.16348	1.6
366.18271	1.8
369.18030	1.6
376.16626	0.9
378.18167	1.1
379.16684	1.5
382.17197	0.9
396.19595	0.7
397.17340	3.3
398.17017	1.2
407.15927	1.9
414.20261	1.2
420.19138	1.6
422.17139	2.2
424.18552	5.6
425.17038	13.0
426.16812	1.2
438.20392	1.6
440.17947	1.1
442.19720	16.7
443.19183	2.2
450.16342	0.8
450.63873	0.6
460.20752	18.3
461.20856	1.4
466.19650	0.7
468.17664	14.3
468.32474	0.6
469.18164	0.8
470.19482	2.2
484.21146	1.3
486.18820	1.3
493.20996	2.4
559.25049	0.8
587.25055	3.4
605.26025	24.6
606.26312	3.8
623.27069	23.1
624.27209	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	623.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88867	1.7
55.01878	5.1
61.76248	1.9
62.64806	1.9
65.03925	2.4
67.05501	5.3
69.03455	1.7
69.21626	11.1
71.02469	4.1
79.05520	3.3
81.07051	2.2
82.88987	1.6
85.02923	2.8
91.05496	5.7
93.07036	4.7
94.06580	10.6
95.04980	2.4
96.04419	2.3
97.06522	4.2
98.06087	3.2
108.08127	10.6
110.06055	6.7
119.04953	6.1
121.06493	3.8
122.06022	32.4
122.09635	6.1
123.06779	2.3
124.07591	3.5
136.07562	37.3
137.05942	3.8
138.09108	5.2
140.07083	8.2
146.05994	2.4
147.04445	4.9
148.07622	2.1
149.07063	2.7
150.05469	3.9
154.08633	20.6
160.07594	3.8
162.05487	2.7
163.08670	3.6
164.07053	60.9
165.07428	2.7
167.71236	1.8
172.06264	2.1
172.07632	2.8
174.09148	6.1
175.08621	3.3
177.06529	10.9
181.09718	24.8
188.07036	6.4
189.10240	4.1
190.08661	4.4
191.08138	23.4
199.08749	2.4
200.07059	4.1
201.06630	5.7
201.10170	3.3
202.07166	2.2
202.08702	19.1
203.08105	35.2
204.06554	18.3
204.08282	2.5
205.09680	2.2
206.08089	3.2
213.10197	2.8
214.10957	2.0
215.08232	5.7
215.11754	3.2
216.10339	2.8
217.09692	20.1
218.08156	4.0
219.11296	4.4
220.09665	2.3
227.08162	3.4
228.06450	2.2
228.48456	2.2
229.06073	17.6
229.13364	3.7
230.08145	14.3
231.07742	3.4
231.11295	3.7
235.10672	4.2
243.07750	11.7
243.11234	5.5
244.09729	3.4
245.09200	33.2
245.12889	4.1
246.07564	4.8
247.10628	4.0
248.09248	8.1
250.02856	2.4
257.09256	2.5
257.12781	9.1
259.10736	8.0
261.08719	11.8
261.12289	4.7
263.10269	39.5
264.10861	2.3
265.11813	2.6
271.07239	9.9
272.09271	6.3
273.12283	2.7
274.13226	3.4
275.13770	5.6
277.11771	3.2
285.12201	3.6
287.10303	27.5
289.08435	4.3
289.11957	4.5
299.13937	6.1
301.11829	28.2
305.11313	77.4
306.11630	6.5
307.12912	18.2
313.08182	4.3
317.14835	2.3
319.12888	2.5
322.15378	3.1
331.09293	4.1
333.10782	6.2
338.14740	3.9
340.12988	2.3
355.16379	4.1
366.18118	12.1
367.18600	2.3
378.18015	5.6
382.17523	2.4
383.16040	2.7
397.17407	3.1
398.17081	3.5
400.18555	4.3
420.19098	8.2
422.16937	4.2
424.18652	8.8
425.17383	4.1
426.16470	2.7
438.20358	10.6
440.17892	4.3
442.19681	46.1
443.19943	4.5
450.16733	10.8
452.18063	4.6
460.20789	34.7
461.21085	4.0
468.17624	54.2
469.17957	4.8
470.19214	23.3
484.20184	3.6
486.18430	6.1
559.25519	7.0
563.24805	3.1
587.24591	13.2
605.25977	100.0
606.26459	14.3
623.26959	20.7
632.85693	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	623.286
Annotation	Unknow
Peak:m/z	Relative Intensity
65.40906	0.3
69.05202	0.6
69.05611	1.3
85.59646	0.2
114.68346	0.2
119.35773	0.2
140.69141	0.2
144.16090	0.2
209.10910	0.3
222.11411	0.4
223.12358	0.4
224.13062	0.3
237.14001	0.6
239.15436	0.3
251.15480	0.4
300.40787	0.2
304.21198	0.2
375.16138	0.5
376.17374	0.4
377.18039	0.7
378.18524	0.7
387.16214	0.4
388.17706	0.5
389.18365	0.8
390.18622	1.1
391.19196	1.9
392.19843	2.0
393.20816	1.1
399.16367	0.5
400.16898	0.3
401.17673	1.0
402.18945	0.5
403.19571	0.6
404.20291	0.8
405.16992	0.3
405.20959	3.1
406.21384	3.0
407.22296	7.8
408.22803	0.5
413.17715	0.9
414.18631	0.8
415.19205	1.7
416.20325	0.5
417.20950	0.7
418.21628	0.6
419.17728	0.4
419.22366	1.1
420.23297	1.6
421.23843	7.4
422.24695	2.3
427.19559	0.7
428.20386	1.3
429.20975	3.3
430.21622	1.2
431.18680	0.9
433.16010	0.5
433.24066	1.4
435.25735	0.5
442.21970	0.4
443.22473	2.4
444.23743	1.5
445.20084	1.3
446.20999	0.4
447.17935	0.9
447.22513	0.5
449.22870	0.6
452.22406	0.5
455.18787	0.4
456.19940	0.4
457.23984	1.0
458.24927	2.0
459.22079	1.8
460.22711	1.1
461.19107	3.8
462.19644	1.2
463.21387	0.9
470.21500	0.3
471.22064	0.5
472.22925	2.1
473.18774	0.5
473.23798	0.8
474.20563	0.8
475.21097	4.8
476.21771	4.1
477.22549	3.0
478.23679	0.7
484.18781	0.7
485.23697	3.7
486.20782	0.9
486.24197	1.1
487.21390	0.9
488.22113	1.0
489.22855	2.4
490.23172	0.4
491.24808	0.4
493.25500	0.3
498.20590	0.4
499.21249	4.8
500.21918	1.7
502.23746	0.8
503.24493	6.6
504.26044	1.4
505.22498	0.8
507.24179	0.8
513.22906	1.2
514.23639	0.7
515.24579	1.0
517.25531	2.0
518.22638	0.4
521.25348	0.8
529.26184	0.5
531.23877	0.6
535.27081	5.4
536.27325	0.9
545.25464	22.2
546.25854	2.8
549.24976	0.3
559.23206	0.5
563.26563	1.2
564.27295	1.7
573.24854	6.2
574.25183	1.1
577.28314	1.2
591.26038	2.4
592.26270	0.4
605.27515	18.0
606.27911	2.6
623.28601	100.0
624.28906	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	623.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96156	0.9
69.05461	5.5
69.76832	0.8
98.22618	1.1
147.71065	0.7
170.41801	0.7
223.12488	1.1
238.14413	0.8
239.15526	0.7
239.96638	0.7
249.70796	0.7
251.15311	0.9
335.14212	1.0
360.14856	0.8
375.16385	1.1
376.16605	1.0
377.17691	2.4
378.18588	1.3
387.15839	0.9
388.17801	1.3
389.18326	2.1
390.18405	1.8
391.19220	4.6
392.19763	3.8
393.20712	1.4
399.15982	1.6
400.16833	2.1
401.17712	1.6
402.18698	1.2
403.19537	1.6
404.20648	1.4
405.20825	6.0
406.21555	6.4
407.22269	14.2
408.22690	1.3
413.17703	3.3
414.18307	3.7
415.19302	6.7
416.20172	1.7
417.21088	1.6
418.21860	1.0
419.22363	2.6
420.23199	3.3
421.23871	12.1
422.24661	4.8
427.19260	2.9
428.20102	4.1
429.20813	14.8
430.21729	4.2
431.17795	1.3
433.19745	1.5
433.24402	2.0
442.21494	2.3
443.22528	8.9
444.23370	6.3
445.19781	2.6
447.18027	2.5
449.23303	1.1
456.19299	2.0
457.24820	5.6
458.24896	8.8
459.17169	0.7
459.21780	9.7
460.22488	3.4
461.19019	5.9
462.20224	2.5
463.21152	2.4
470.21017	2.0
471.22452	1.1
472.22711	8.6
473.24304	4.7
475.20831	6.2
476.21454	5.8
477.22467	4.4
478.23544	1.7
483.18353	1.2
484.18777	1.0
485.23428	17.0
486.18979	0.9
486.23822	4.9
487.20996	2.2
488.21762	2.3
489.22772	4.7
490.23285	1.0
493.26199	1.3
499.21191	6.0
500.22028	3.7
501.22372	1.0
502.23535	2.1
503.24469	10.2
504.25793	1.3
513.22815	5.2
514.23285	1.7
515.24268	1.1
517.26154	9.7
518.25635	1.1
521.25165	1.1
529.25854	1.2
530.23291	1.2
531.23816	1.7
535.27136	7.0
536.26178	1.0
545.25458	99.4
546.25861	12.8
547.27612	0.9
563.26337	1.1
564.27014	1.5
573.24969	21.6
574.25244	2.3
591.26312	1.7
605.27557	100.0
606.27875	11.9
623.28607	86.8
624.28839	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	623.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
53.96284	0.3
55.01865	1.7
55.05517	2.9
56.91926	0.3
57.03420	0.6
65.03946	0.3
67.05508	5.5
69.03452	0.4
69.07073	2.9
71.04988	0.4
79.05499	4.8
81.03429	0.4
81.07063	5.6
83.04990	1.0
83.08614	0.9
84.41588	0.4
91.05483	4.8
93.07057	3.5
95.04994	1.1
95.08615	3.7
97.06519	2.0
97.10189	1.5
98.23434	0.8
105.07027	5.1
107.04957	1.3
107.08603	2.2
109.06522	0.6
109.10174	1.4
115.05495	0.5
117.07015	1.8
119.08598	3.0
121.06519	1.0
121.10150	1.5
125.09624	0.7
129.07016	1.7
131.08569	2.7
133.06461	0.4
133.10139	2.6
135.08063	0.7
135.11684	0.7
138.11732	0.4
141.06989	0.6
143.08601	1.4
145.10126	1.9
147.11710	1.2
149.09647	0.9
155.08572	1.0
157.10159	1.4
159.11726	1.6
161.09564	0.5
161.13190	0.4
163.11287	0.7
169.10149	1.1
171.11699	0.8
173.09647	0.4
173.13277	0.8
177.12831	0.5
179.14322	0.8
181.10098	0.7
181.82846	0.5
183.11751	0.9
184.07353	1.6
185.13284	1.0
187.11148	0.4
189.11275	0.7
195.11678	0.6
197.13345	0.6
199.14870	0.5
207.11726	0.4
209.13251	0.4
227.12819	0.7
239.17984	0.5
257.19052	1.4
275.20071	6.5
293.21259	1.1
388.16873	0.4
389.17780	1.2
390.18533	0.7
391.19339	0.6
398.14435	0.4
401.17783	1.1
402.18466	1.2
403.19287	2.0
404.20020	1.3
405.20956	1.7
415.19220	1.2
417.16907	1.8
417.21954	2.1
418.17307	0.9
418.22110	0.6
419.22617	4.4
420.22867	0.7
428.16370	0.6
429.16702	1.0
430.17191	0.8
430.22174	0.8
431.17657	3.6
431.23001	1.6
432.19412	1.3
433.20474	2.5
434.20959	0.4
435.21814	0.6
443.18378	3.1
444.19131	1.7
445.20056	8.2
446.20901	5.5
447.22165	5.5
448.22443	0.5
449.23721	1.7
457.19775	0.8
458.20969	1.0
459.21878	3.4
460.22446	0.6
461.19766	1.2
462.20126	1.9
463.21057	2.8
464.21591	0.5
473.23276	0.7
475.21353	2.0
476.22003	5.1
477.22864	6.3
478.23010	1.0
480.75293	0.4
489.23212	2.3
490.23566	1.0
491.20898	0.6
503.25162	0.5
505.22269	0.5
505.25836	0.5
521.21454	1.7
525.35809	1.1
532.24762	0.5
533.25519	13.1
534.25909	2.1
535.23297	0.9
545.25592	1.1
563.26660	15.0
564.26898	2.2
591.25330	0.6
592.27051	0.6
593.27557	3.7
594.27283	0.4
605.27612	0.9
605.41870	1.2
623.28595	100.0
623.42944	6.1
624.28931	14.1
624.40503	0.6
624.43781	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73344	0.4
55.05519	1.1
57.03440	0.8
57.07051	0.5
67.05505	1.8
69.07078	0.8
69.07772	1.7
69.08187	2.4
77.14104	0.4
79.05489	2.0
79.38622	0.5
79.87347	0.5
81.07055	2.5
91.05484	1.9
93.07072	2.5
95.04940	0.6
95.08623	1.8
96.35918	0.5
97.10173	0.7
97.45743	0.4
105.07021	1.1
107.04973	1.0
107.08612	1.1
109.06551	0.6
114.96703	0.5
117.07014	0.7
121.10142	0.9
131.08514	0.9
139.79483	0.5
143.08426	0.5
147.11673	0.6
151.73346	0.5
153.01088	0.6
159.98181	0.5
239.77766	0.5
289.18036	1.7
355.16345	0.5
385.14478	0.5
389.18265	0.7
390.18637	0.8
391.19415	1.4
392.19888	0.7
399.15741	0.5
400.16626	0.6
401.17859	1.5
404.20438	2.0
405.20776	2.9
406.21295	1.3
414.18576	0.9
415.19226	2.4
417.21301	0.8
419.17978	1.1
419.23083	0.9
420.23004	1.6
421.24023	2.7
427.19638	1.0
428.20309	0.9
429.20862	3.8
430.21698	1.9
431.18115	0.6
431.22986	0.8
432.23615	0.7
433.19577	3.5
443.22784	0.8
444.23093	2.0
445.19882	2.5
446.21393	1.1
447.17615	3.9
448.22427	1.5
449.23077	1.1
457.24768	2.8
458.24957	1.1
459.21613	2.7
460.22717	3.6
461.19458	10.7
462.20239	1.8
464.45767	0.6
470.21289	0.8
472.22592	1.9
473.19611	1.0
474.20068	1.0
475.20331	2.5
476.21964	12.7
477.22525	1.7
485.23557	9.9
486.20779	2.7
487.25537	1.3
488.21899	1.6
489.23123	2.3
491.20975	1.9
497.23624	0.7
499.21545	0.9
500.22046	2.3
503.24496	9.4
504.24530	0.8
505.22495	0.8
507.22562	0.6
513.23010	1.2
515.24451	8.4
516.24640	1.1
518.22754	0.7
521.25555	8.8
522.25867	0.8
531.23926	18.1
532.23914	2.3
535.24139	1.1
536.23474	1.1
541.22253	0.7
545.25568	2.5
549.24939	11.9
550.25415	1.5
559.23407	8.7
560.23950	1.0
562.25610	0.7
563.25659	5.3
564.25671	1.1
591.25983	46.8
592.26447	5.5
623.28540	100.0
624.28998	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	623.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.8
56.73501	0.6
57.03442	0.6
67.05502	2.0
69.07072	1.1
71.29139	0.9
73.71857	0.5
79.05505	2.7
81.07043	1.5
83.08605	0.7
87.00082	0.5
91.05497	2.6
93.07072	2.2
94.83263	0.6
95.08614	1.4
97.06544	0.6
105.07051	1.7
105.97112	0.5
107.04986	0.7
107.08620	1.1
109.06556	0.7
119.08581	1.1
131.08627	0.9
133.10143	1.2
145.10155	1.1
155.08562	0.6
157.10159	0.7
159.11732	1.1
202.89734	0.5
203.68152	0.5
210.11372	0.8
218.06525	0.6
225.13985	0.6
237.13785	0.7
249.10185	0.8
275.20038	0.9
340.14584	0.8
374.16422	0.8
377.17609	1.1
389.17886	0.8
390.18646	1.6
391.19223	2.8
393.20862	1.2
401.17752	0.8
402.18503	0.8
403.19232	2.3
404.19983	1.6
405.21259	3.4
406.21564	2.1
407.22275	1.3
415.19434	0.9
417.16556	1.2
417.21454	1.2
418.17896	1.8
419.18356	2.3
419.23337	3.0
420.19156	1.1
421.24304	2.8
429.16812	1.4
430.17267	0.9
431.18594	2.3
431.23370	0.9
432.19193	1.6
433.19629	4.4
434.21057	2.3
435.21927	2.0
443.18665	1.4
444.19385	1.6
445.19952	6.3
446.21182	2.9
447.22522	5.4
448.22675	3.3
449.23334	7.8
450.23993	1.6
459.21826	11.9
460.22473	4.2
461.19409	1.8
461.23932	1.8
462.20432	2.0
463.21600	2.6
472.21262	0.6
473.23615	1.3
475.20883	3.3
476.21906	7.1
476.32520	0.6
477.22885	6.8
478.23099	0.9
487.25327	0.9
489.23184	2.8
490.23773	1.0
503.24384	2.5
505.26135	0.7
519.24097	2.2
521.21832	1.1
531.23895	1.2
533.25781	4.1
534.25391	0.8
535.27716	4.6
545.25250	3.4
547.27124	5.3
548.25128	0.6
563.26508	19.2
564.26782	3.6
576.23578	1.0
591.25940	2.2
595.28693	1.1
605.27826	5.1
606.28375	16.0
607.28638	3.0
623.28601	100.0
624.28943	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.7
59.58274	0.3
62.74213	0.3
67.05503	0.7
69.07045	0.3
79.05498	1.0
81.07056	0.8
91.05495	0.9
93.07062	0.8
95.08597	0.4
100.71916	0.3
105.07047	0.8
107.08606	0.4
113.37418	0.3
119.08630	0.3
148.85538	0.3
209.10777	0.5
237.13783	0.5
342.10104	0.3
363.16428	0.4
375.16272	0.7
377.17703	0.6
387.16113	0.4
388.16547	0.7
389.17499	1.4
390.18210	0.8
391.19336	1.9
392.19888	0.8
400.17056	0.3
401.17703	1.2
402.18365	1.2
403.19543	2.2
404.20038	1.0
405.16183	0.5
405.21106	2.8
406.21707	0.8
407.22311	1.5
414.18378	0.6
415.19241	1.2
416.20178	0.9
417.16843	1.4
417.20853	2.1
418.17688	0.9
419.17819	0.7
419.22940	3.9
420.22946	1.0
421.24130	0.5
429.17038	1.0
429.21750	0.6
430.17017	2.2
431.17828	3.8
431.23325	1.1
432.18515	1.8
432.24234	0.5
433.20172	7.2
434.21033	1.8
435.21945	0.8
443.18173	2.8
444.19052	3.0
445.19873	5.3
446.21075	2.7
447.21799	5.2
448.22983	1.7
449.23404	0.8
457.20181	0.8
458.20938	7.2
459.21780	6.7
460.22754	5.6
461.18958	0.7
461.24063	0.5
462.20590	0.6
463.21118	2.5
471.22348	0.4
472.23087	0.6
473.23337	1.3
475.21359	1.2
476.21490	1.6
477.22827	1.7
478.23337	0.4
487.24976	0.6
489.18634	0.6
489.23843	0.4
490.23395	0.5
491.24582	0.6
503.25146	0.4
504.25027	0.5
505.26254	0.9
513.22894	0.5
517.22510	0.9
518.23010	4.6
519.23828	0.9
521.21973	1.2
531.24176	0.7
532.24268	0.6
533.25500	7.4
534.25751	1.4
535.27582	2.0
545.25476	3.0
546.25946	1.5
549.25122	0.5
562.25342	0.4
563.26422	4.6
564.26984	0.8
573.25031	1.0
577.28119	0.4
591.26062	0.5
594.24445	0.3
605.27527	12.2
606.28058	1.9
623.28601	100.0
624.28925	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	625.1551
Annotation	kaempferol 3-O-(6"-O-feruloyl)-glucoside
Peak:m/z	Relative Intensity
51.02382	0.3
52.12932	0.2
53.03932	0.5
57.03422	0.4
60.39218	0.2
62.01576	0.2
63.02380	0.7
67.05502	0.4
69.03430	2.4
70.43848	0.5
71.04987	0.3
78.04720	0.5
79.05486	0.7
81.03417	4.2
81.07038	0.3
83.04987	0.5
85.02901	1.2
89.03917	8.1
90.04236	0.4
91.05490	1.4
93.07026	0.4
95.04945	0.4
95.08603	0.2
96.34740	0.2
97.02878	0.7
97.06574	0.2
99.04465	0.3
103.05475	0.4
105.03384	0.2
105.07028	0.3
106.04154	0.4
107.04981	0.3
107.08543	0.2
109.02882	1.5
109.10165	0.2
111.00768	0.3
117.03378	23.1
118.03709	0.4
119.04943	1.2
121.02875	1.1
121.06478	0.2
124.07555	0.2
127.03903	1.1
134.03635	1.9
135.04417	1.4
137.02328	0.4
145.02840	52.3
146.03163	1.6
147.04407	4.8
147.11748	0.2
148.04675	0.2
149.05975	7.7
150.06297	0.2
152.07040	0.6
153.01767	1.1
162.03140	0.3
163.03926	0.6
165.01816	0.6
177.05464	100.0
178.05817	3.7
183.02962	0.3
185.06000	0.2
186.05510	0.6
195.06519	1.3
213.05428	0.4
231.06642	0.3
259.05927	0.3
287.05487	24.3
288.05853	1.5
302.04230	0.2
317.06500	1.4
321.05820	0.3
321.09662	6.2
322.10001	0.5
339.10715	2.6
549.82538	0.2
593.15826	0.3
625.18829	0.7
625.34888	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65096	0.6
53.03937	0.8
55.01855	1.1
55.05515	3.3
57.03452	1.3
59.75464	0.6
63.48579	0.6
65.03935	0.7
67.05510	4.7
69.07069	2.1
71.05013	0.8
79.05494	5.1
81.03419	1.0
81.07060	10.1
83.05007	1.0
83.08647	1.2
86.09722	0.9
91.05482	4.3
91.90227	0.7
93.07056	3.4
93.25403	0.7
95.04981	1.4
95.08621	3.5
95.42876	0.7
97.06549	1.0
97.10223	0.8
98.22569	1.4
105.07034	3.9
107.04928	0.9
107.08617	2.1
107.15653	0.6
109.06547	0.9
109.10181	1.9
117.07047	1.8
119.08592	3.2
121.10210	0.9
125.09621	0.9
129.07005	1.5
131.08583	2.5
133.10175	2.2
135.11714	1.0
141.06984	0.9
143.08530	1.2
145.10146	2.9
155.08522	1.6
157.10168	1.2
159.11755	1.1
169.10172	1.3
171.11623	1.2
181.10117	0.8
183.11673	0.9
185.13196	0.9
211.14803	0.8
238.14685	1.0
251.15506	0.9
259.20642	0.8
275.20090	1.7
305.27338	0.8
376.17377	0.7
388.17300	0.8
389.17914	1.7
390.18872	0.8
392.20206	0.7
395.51584	0.7
401.17804	1.1
402.18286	0.9
403.19565	2.2
404.20013	2.7
405.21198	0.7
406.17746	0.9
407.45728	0.7
413.17599	0.9
415.19623	1.4
416.20428	1.6
417.20688	2.3
418.21890	1.5
419.22229	2.5
421.24164	0.9
428.19785	0.8
429.21088	1.2
431.18680	3.4
431.23221	1.5
432.18732	0.8
433.24155	2.2
435.22433	0.8
445.19949	1.8
446.20963	2.0
447.21722	2.1
449.19553	1.1
457.16641	1.3
457.24216	1.0
459.21790	3.0
460.22562	1.9
461.19836	2.9
462.20718	1.2
463.21423	1.5
464.74136	0.7
471.18250	1.1
472.18649	1.1
473.18994	3.8
474.19400	3.7
474.24948	0.8
475.21008	12.8
476.21896	3.6
477.23477	4.9
483.21854	1.6
485.23734	1.2
486.20435	1.8
487.21436	9.5
488.21976	2.6
489.23199	1.5
491.20181	1.3
492.25134	2.7
493.22079	1.0
498.20471	0.9
501.23273	9.5
502.20251	6.2
503.19968	5.3
504.20834	1.1
505.22397	2.5
513.22949	1.9
515.21509	0.8
519.23944	5.7
520.24329	2.7
523.23615	1.1
527.23358	0.9
529.22302	5.5
530.22644	1.3
531.23413	0.9
533.21698	1.5
534.23535	0.8
537.24792	1.8
539.20917	1.3
547.23407	18.8
548.24030	3.6
549.25018	1.0
557.21930	1.9
565.24835	1.4
566.25568	2.2
575.22821	10.2
576.23120	1.8
579.26495	1.0
589.24396	6.6
593.24048	0.8
607.25513	57.2
607.43280	2.8
608.25940	10.3
625.26563	100.0
625.44110	5.6
626.26849	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	625.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37075	1.0
50.50427	0.9
52.76672	0.9
55.01882	1.7
55.05516	1.8
67.05505	4.6
67.05843	0.9
79.05494	3.1
81.07063	4.6
90.42090	1.1
91.05479	3.2
93.07051	4.0
95.04977	2.5
95.08576	2.6
105.07058	2.5
107.07797	1.1
107.08575	2.5
109.06541	1.0
109.10146	1.4
119.08581	1.8
121.10099	1.2
127.31755	1.0
129.07095	1.1
131.08583	2.0
133.10135	1.4
135.11685	1.2
147.11601	1.1
157.10136	1.4
160.18814	1.0
195.21339	1.0
229.41025	1.5
273.18613	1.2
275.20505	1.0
291.19589	2.9
390.18668	1.9
391.19162	4.8
392.20135	2.5
403.19437	1.7
404.20233	2.8
405.20737	11.1
406.21362	3.7
407.22104	6.2
417.21304	1.4
418.21841	1.5
419.22202	6.6
420.23056	3.2
421.23871	9.0
422.24338	1.4
433.23889	3.1
434.24481	3.0
435.18396	1.6
436.18738	1.8
447.21423	1.5
449.19974	2.1
450.20743	2.8
451.21286	19.1
452.21985	4.8
461.23273	1.8
463.21860	1.7
464.22235	2.1
465.22845	19.2
466.23331	6.6
473.19467	1.1
475.25290	1.5
477.26575	1.5
478.23685	2.4
479.24414	3.4
487.20999	2.0
491.20874	1.6
492.21075	2.2
493.26080	13.6
494.26602	3.6
503.24454	7.6
504.24545	1.9
509.21753	3.1
519.24188	1.3
521.25439	11.1
522.25934	2.4
523.23389	11.2
524.23358	1.8
537.25134	8.5
538.25751	23.5
539.26056	3.8
547.23340	2.9
565.24530	13.2
566.24786	4.6
581.27545	11.1
582.27972	1.8
607.25299	8.2
625.26550	100.0
625.44031	4.5
626.26819	12.6
626.45697	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	1.3
55.05508	4.7
57.03434	3.1
57.07077	2.1
58.06597	2.6
59.57496	1.1
67.05498	13.3
69.07071	7.1
71.04978	1.9
71.28934	1.3
71.29296	2.0
75.97222	1.3
79.05495	10.2
81.07057	11.8
83.08616	1.8
91.05482	8.7
93.07049	6.8
94.99664	1.4
95.05009	1.7
95.08619	8.2
97.06562	2.7
97.10143	1.6
104.75130	1.2
105.07030	10.5
107.08624	4.1
109.06451	2.5
109.10197	2.4
109.24879	1.3
117.07034	3.7
119.08614	6.1
121.10178	3.6
123.08128	1.7
129.07008	3.5
129.48445	1.2
131.08592	5.6
133.10159	4.9
135.08044	1.4
135.11713	1.6
143.08589	2.7
145.10159	5.4
147.08089	2.3
147.11729	2.7
148.07648	1.5
149.13350	1.4
155.08533	1.6
157.10190	2.9
159.11688	3.3
169.10263	2.0
171.11736	2.5
173.13361	1.8
185.13339	2.1
199.14848	1.8
236.14963	3.4
273.18674	3.4
291.19583	2.7
341.86163	1.4
362.16641	1.4
365.17609	1.6
379.19125	2.7
380.19571	2.1
381.20868	2.9
387.16101	2.2
388.16919	1.7
389.17874	2.6
395.22491	3.8
402.18579	3.4
403.19327	4.2
404.20184	1.6
406.18921	1.4
408.19424	1.5
409.20383	5.7
416.20377	1.8
417.20908	4.9
418.22180	2.1
419.18616	1.6
423.22153	6.4
424.22299	3.1
430.17456	2.9
431.18802	5.1
432.18774	2.0
432.23666	2.2
445.20245	4.4
446.21112	4.9
449.19778	2.1
458.17331	1.7
459.22104	11.1
460.22821	7.0
461.19168	7.1
462.20865	3.2
474.20480	7.1
475.21210	4.1
477.23657	1.9
478.19843	3.7
479.20398	1.5
487.21371	18.9
488.21884	3.8
490.20428	1.6
501.19461	3.5
502.19934	1.8
505.22662	6.4
515.20978	1.9
516.21478	1.9
519.24133	12.7
520.24237	2.0
537.25525	2.6
547.23395	100.0
548.23901	15.0
575.22723	11.1
593.23743	2.2
607.25464	92.3
607.43542	3.5
608.25897	14.0
625.26605	46.8
625.44208	12.4
626.27087	6.0
626.45569	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.3
57.07078	1.7
63.82192	0.9
67.05506	3.4
71.08617	1.2
71.30096	1.2
78.23448	1.0
79.05499	2.0
81.07055	3.5
83.08611	1.6
84.87853	1.2
86.31133	1.1
88.09584	1.1
93.07076	2.6
95.08614	3.0
99.08057	1.2
107.08616	1.3
109.10146	1.9
117.06989	1.7
119.08645	1.1
123.08105	1.2
125.09663	1.4
131.08574	1.6
186.42531	1.1
234.34787	1.2
259.72189	1.3
405.16672	1.6
407.22226	1.4
421.19592	2.0
433.16409	2.8
434.17126	2.0
435.18298	5.1
447.22214	2.7
448.18488	2.2
449.18817	5.8
463.21008	10.9
475.20923	11.4
476.21909	3.4
477.22827	2.4
479.24307	1.9
490.53262	1.4
501.22726	1.6
506.23495	1.5
507.23853	3.0
519.24042	1.5
522.22052	2.6
523.27216	2.7
537.24829	1.3
551.26526	21.7
552.26733	1.8
566.28925	2.2
593.27612	10.4
594.27844	1.6
625.30145	100.0
626.30615	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	2.1
51.87288	1.5
53.03949	8.1
54.13995	1.4
55.01873	45.2
55.05510	41.1
55.05766	3.4
57.03433	14.5
57.06219	1.7
57.07078	8.5
58.06587	3.5
64.86224	1.5
65.03939	6.8
66.68120	1.9
67.05502	89.7
68.52133	1.6
69.02878	13.6
69.03430	4.0
69.07069	100.0
71.05001	8.6
71.08621	1.7
75.59408	1.9
79.05492	66.4
79.77928	1.5
80.05856	1.7
81.03432	12.9
81.07056	98.8
82.07384	1.8
83.04987	14.9
83.08618	16.7
85.06561	8.4
91.05476	82.8
93.07043	76.2
94.07426	2.3
95.01334	8.9
95.04973	17.5
95.08601	65.8
96.08950	2.6
97.06533	66.6
97.10153	11.9
98.23353	4.5
99.08113	4.8
103.03907	2.3
103.05496	2.7
105.04557	2.3
105.07027	95.5
106.10027	1.8
107.04958	23.1
107.08595	38.4
109.06515	7.2
109.10146	24.3
111.08067	5.2
113.09682	2.0
115.05450	4.8
117.07015	35.8
119.08580	71.5
120.08941	1.8
121.06525	6.2
121.10145	31.7
123.04461	2.4
123.08075	12.4
123.11746	4.5
125.09637	7.8
128.06233	7.3
129.05513	3.1
129.06989	29.2
130.07860	2.5
131.08566	61.0
132.08826	1.9
133.06544	4.3
133.10124	59.5
135.08090	7.6
135.11707	22.4
137.09648	5.1
139.11174	3.0
140.05089	1.9
141.06958	12.8
142.07805	7.8
143.08557	40.3
144.09296	3.0
145.06531	2.8
145.10115	52.8
146.44472	1.8
147.08081	2.2
147.11676	40.9
147.12758	2.9
148.12074	2.6
149.09593	13.1
149.13261	14.9
151.11220	5.6
153.12782	2.8
154.07799	3.3
155.08530	19.8
156.09355	4.2
157.10127	34.4
157.11368	1.7
158.10768	2.4
159.08072	3.2
159.11690	42.4
160.12076	1.7
161.09608	2.0
161.13255	28.3
163.11147	8.0
163.14795	3.8
165.07062	1.9
166.07748	1.8
167.08549	8.8
168.09395	1.9
169.10121	22.2
170.10666	2.0
171.10245	5.1
171.11649	30.9
173.09673	3.2
173.13235	28.7
175.11247	3.9
175.14813	16.5
177.12790	6.7
179.14342	9.8
181.10124	17.2
182.10960	2.4
183.11690	22.7
185.09654	2.7
185.11720	3.1
185.13264	24.4
185.14809	2.6
187.11241	6.9
187.14789	11.2
189.12831	4.8
191.14435	1.8
193.10213	4.7
195.11751	12.9
197.09552	3.1
197.13243	15.6
199.11220	4.5
199.14796	17.6
201.12801	1.7
201.16446	4.1
203.14301	2.6
207.11714	7.7
207.13498	1.8
209.13251	11.6
210.13692	1.9
211.14833	11.1
213.12917	2.5
213.16454	6.5
215.14449	2.4
215.17998	4.0
217.15895	2.0
219.13972	2.2
219.17569	5.1
221.13326	5.8
223.14857	7.0
225.16460	7.4
227.18004	3.9
229.15833	1.8
229.19444	3.7
231.17479	2.2
231.21091	4.1
233.13269	2.5
235.14888	4.3
236.14984	8.7
237.16373	6.3
239.18056	6.5
241.19518	27.8
242.19939	2.1
243.20757	1.8
247.20616	2.6
249.16422	2.7
251.18053	4.6
255.17560	2.7
255.21130	2.6
257.19012	12.9
259.20563	29.3
260.20865	2.2
265.19556	2.8
273.18466	4.6
275.20068	61.9
275.22998	3.6
276.20410	4.2
277.21735	4.8
279.15982	3.0
279.21085	2.9
281.18985	2.6
283.20511	2.5
289.21643	1.7
291.19498	2.8
293.21268	6.2
295.20575	2.4
297.22098	2.9
299.23700	2.4
309.21979	2.2
311.23566	2.6
313.21649	3.9
315.23318	7.0
323.23605	2.3
325.21722	2.3
325.25293	4.3
327.23361	2.4
331.22946	3.0
333.24225	24.6
337.25208	2.8
339.23087	2.5
341.24741	4.1
349.23737	38.3
350.24017	3.5
351.26733	1.9
353.24600	2.7
365.24597	2.8
367.26013	2.3
381.27670	2.0
391.29617	2.2
409.30734	2.4
419.33075	4.6
421.30911	3.7
435.32718	11.1
437.34018	15.1
445.30927	2.7
453.33554	3.0
455.35437	3.6
473.34436	1.9
481.33237	2.6
501.35321	2.8
505.40549	2.3
509.36322	6.3
511.37869	13.8
513.35938	8.1
515.38690	9.5
527.37115	11.9
528.37585	2.1
529.39014	6.2
530.39380	2.3
533.39954	15.9
538.36200	2.5
551.41071	8.8
555.37250	3.1
556.37378	3.6
589.42401	3.6
607.43567	68.4
608.44043	10.0
625.44598	82.6
626.45062	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	625.446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	11.5
55.01871	26.8
55.05510	39.6
57.03443	10.5
57.07074	4.9
61.27096	1.9
65.03955	6.6
67.05505	70.8
69.03426	3.1
69.07069	63.4
71.04997	4.8
71.08629	2.8
79.05493	55.4
80.05836	2.8
81.03428	9.8
81.07054	82.0
81.07528	4.1
82.07406	3.7
83.04981	8.7
83.08623	20.1
85.06530	3.4
91.05477	66.2
92.05796	2.4
93.07040	59.7
94.81263	2.0
95.04953	14.2
95.08607	54.4
97.02908	4.8
97.06522	29.9
97.10191	8.4
99.04460	5.1
99.08102	6.3
103.05492	4.0
105.04530	2.5
105.07024	61.8
107.04958	13.0
107.08589	34.9
109.06514	7.7
109.10154	21.1
111.08079	4.5
115.05476	4.2
117.07022	27.8
119.08570	46.9
121.06548	3.9
121.10152	21.6
123.08082	8.3
123.11730	7.4
125.09673	5.8
127.03909	9.9
127.07625	2.8
128.06259	7.3
129.07005	24.0
130.07831	2.9
131.08572	41.8
133.06479	3.5
133.10124	39.1
133.11043	2.9
135.08107	6.7
135.11644	15.6
137.09636	4.7
141.07018	9.7
142.07776	5.5
143.08562	30.3
145.06552	2.6
145.10110	33.5
145.17812	2.1
146.10474	2.0
147.08072	3.2
147.11687	27.9
149.09657	9.2
149.13257	11.4
151.11230	4.1
154.07809	2.6
155.08498	13.7
156.09268	2.4
157.10132	28.1
159.11710	27.0
161.09660	4.1
161.11266	2.0
161.13283	15.2
163.11221	6.8
163.14793	3.8
167.08601	8.4
167.75430	2.0
168.09312	3.1
169.10118	18.1
170.10716	2.5
171.11679	20.5
173.11990	3.6
173.13234	15.5
175.11116	3.2
175.14876	9.1
177.12766	4.0
179.08629	4.2
179.14346	6.3
181.10175	7.9
182.10950	2.1
183.11685	15.7
184.12529	1.9
185.13211	18.0
187.11298	3.1
187.14891	7.4
189.12775	2.5
191.80679	2.1
193.10196	3.1
195.11655	10.6
197.13301	12.5
199.11270	2.7
199.14902	8.6
201.16347	4.9
209.13309	11.3
211.14864	6.4
213.16479	7.8
215.14401	2.3
217.19525	2.3
219.11835	2.2
219.17532	2.3
221.13208	2.4
223.14867	4.5
225.16443	4.9
227.17928	4.0
229.19548	3.1
237.16451	4.9
239.18031	4.4
241.19528	12.7
257.19092	8.6
259.20560	13.2
263.20221	5.1
265.19556	3.0
271.20587	3.0
273.18631	7.6
275.20065	31.3
276.20380	4.2
277.21570	4.3
279.20880	2.4
291.19608	7.6
292.19934	6.4
295.34714	2.2
297.22266	3.6
301.21921	2.3
315.23358	3.8
333.24319	12.9
349.23752	16.8
391.29858	2.3
403.30191	2.7
421.31021	3.2
428.31189	2.4
435.32742	4.9
437.34180	11.4
478.19678	2.7
495.34802	2.8
505.40030	2.5
509.36066	3.1
511.37607	6.1
513.35657	13.0
515.38910	8.2
527.37311	11.6
529.39020	3.1
533.40399	10.1
551.40942	8.8
555.36914	3.2
556.37347	3.0
565.24432	8.6
589.42755	3.1
597.44940	3.5
607.24707	2.8
607.34528	4.2
607.43658	52.7
608.43896	9.7
625.27673	23.1
625.44629	100.0
626.27271	5.0
626.44983	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	625.446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.6
53.03948	4.5
55.01877	11.2
55.05511	34.4
55.05765	2.4
56.23701	1.3
57.03447	7.7
57.07073	3.8
59.05004	2.4
65.03933	2.5
67.05504	73.7
69.03433	2.2
69.07064	28.8
71.05000	6.6
79.05493	46.8
81.03426	2.8
81.07053	61.2
83.04989	6.8
83.08613	18.5
85.06560	3.7
85.10170	1.2
90.40712	1.3
91.05476	44.5
93.07041	45.6
95.04974	7.7
95.08607	39.7
97.06537	10.8
97.10171	13.5
99.08095	3.1
99.32864	1.5
99.63165	1.4
103.05486	2.1
105.04551	2.2
105.07028	41.3
107.04957	6.1
107.08592	33.7
109.06546	5.6
109.10153	22.6
111.08091	4.4
115.05463	4.4
117.07013	20.7
119.08582	29.0
121.06552	3.1
121.10133	17.2
123.08080	4.3
123.11710	9.8
125.09639	8.0
128.06229	5.1
129.06998	24.8
130.07805	1.5
131.08565	31.0
132.08882	1.2
133.06491	2.3
133.10121	23.4
135.08070	4.2
135.11678	7.8
137.09608	2.7
139.11215	1.9
141.06955	9.7
142.07802	5.6
143.08562	27.2
144.09344	1.5
145.06509	1.8
145.10123	25.9
146.10590	1.5
147.08035	3.1
147.11676	14.6
149.09653	5.4
149.13293	5.7
151.11197	2.8
153.07043	3.2
153.12814	1.8
154.07819	4.3
155.08536	18.8
156.09352	4.5
157.06563	1.5
157.10136	23.6
159.08150	1.6
159.11710	19.5
161.13272	10.1
163.11234	3.5
163.14894	2.5
165.07074	2.0
166.07834	1.7
167.08522	8.1
168.09410	3.1
169.10141	21.3
170.10887	2.1
171.07904	1.4
171.11673	20.2
172.12244	1.3
173.09660	2.1
173.11874	2.2
173.13255	11.0
175.11259	2.0
175.14854	3.8
177.12776	1.9
179.08524	3.2
179.14397	1.4
180.09264	1.5
181.10091	11.6
182.10776	2.5
183.11690	19.6
183.13161	1.7
184.12247	1.5
185.09731	1.7
185.13234	16.6
187.11267	1.9
187.13341	2.8
187.14899	7.3
189.11263	5.0
189.16348	1.9
191.14365	1.9
193.10126	3.5
195.11700	11.2
195.13440	1.8
196.12384	1.5
197.13240	14.6
199.14830	9.3
201.16493	4.1
203.18024	1.8
207.11787	5.7
209.13272	10.2
211.14827	11.3
212.15262	1.7
213.16431	7.4
215.14452	1.5
215.17949	2.4
217.16060	1.7
221.13324	4.0
223.14899	5.7
225.16508	6.4
227.12759	6.7
227.18013	3.4
233.13170	2.0
235.14835	2.9
237.16383	7.3
239.18028	3.9
240.18233	1.2
241.19583	4.6
243.15991	5.4
247.14964	1.3
249.16455	2.2
251.17975	3.5
252.97420	1.4
253.15872	1.9
253.19630	3.8
255.21016	1.6
257.19092	4.7
259.20532	8.8
261.18555	1.5
263.17715	1.6
265.19583	1.6
269.19229	2.2
273.18643	1.6
275.20178	9.9
291.19485	1.6
295.20697	1.6
297.22235	1.9
301.21893	1.7
309.21893	1.9
315.23044	1.9
321.22482	1.3
323.23737	1.4
325.25684	1.5
333.24261	5.2
341.24921	1.3
349.24109	4.1
361.24890	1.4
363.26709	1.5
365.28458	10.3
367.26108	1.8
377.28564	2.3
379.30194	2.6
381.31454	3.3
383.29410	3.4
389.28415	1.7
403.30075	1.7
407.29004	1.8
421.31268	4.3
433.31293	1.6
439.32098	3.7
453.33670	1.6
501.35641	1.6
513.35815	19.9
514.35999	3.0
515.38947	8.6
527.37012	3.0
533.40137	10.0
534.40234	2.3
551.41211	7.6
555.37286	1.8
589.42340	3.7
597.44702	2.0
607.43604	43.5
608.43683	7.7
625.26886	7.5
625.44617	100.0
626.44940	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	626.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01907	0.7
55.05484	1.4
57.03445	3.7
63.69160	0.8
67.05500	1.9
68.99774	1.2
69.03402	1.1
70.06590	1.6
70.59212	1.1
70.59560	1.7
71.04995	19.3
73.38164	0.9
79.05487	1.2
81.03435	2.0
83.04972	3.2
85.02907	21.8
91.05495	2.5
92.05786	1.1
93.05766	0.8
93.07043	5.0
94.06587	1.9
97.02885	1.5
105.07008	1.1
108.08120	2.4
109.08490	0.9
110.09685	6.2
111.04445	1.2
111.09986	1.0
119.04906	1.3
121.06472	1.1
122.06045	1.8
124.07606	0.9
127.03912	1.0
129.05469	8.6
130.04987	0.8
136.07550	4.8
136.52440	0.8
137.02434	1.1
137.06062	1.0
137.07945	1.2
138.09142	4.3
145.04959	1.1
147.04439	2.5
147.06512	2.6
154.08627	1.2
161.05940	1.1
164.07071	18.6
165.07414	9.2
166.07536	3.0
166.08748	10.5
167.09024	2.0
175.07518	2.3
179.03352	0.9
189.05495	2.7
200.07135	1.0
202.08743	0.9
214.10852	0.9
217.04964	18.7
227.03276	1.2
235.10704	0.8
245.04451	21.0
255.02687	1.0
257.12881	1.0
261.08530	1.5
261.12418	1.5
273.03931	45.1
274.04303	2.1
275.13913	1.0
284.15704	1.3
287.10263	1.3
301.03415	100.0
302.03790	5.1
302.12064	1.5
303.04709	1.3
331.14795	1.1
332.15079	1.2
398.17941	0.9
408.15964	1.0
424.18552	0.9
425.17154	2.7
426.17697	3.5
427.17667	1.8
428.18002	1.1
439.73767	0.8
442.19598	2.3
443.20148	1.2
444.20453	1.9
462.20892	1.0
463.21906	1.5
468.18375	1.0
470.18652	2.1
471.18973	1.6
562.26837	0.9
589.25232	2.4
590.26672	1.9
595.19409	1.2
607.27191	3.9
608.27496	7.7
625.27649	4.6
626.21265	1.0
626.28717	8.6
627.21771	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87317	1.0
53.03938	2.7
55.01871	2.6
55.05281	1.1
55.05514	15.2
56.23303	0.8
57.03439	6.6
65.03912	0.9
67.05505	10.2
69.03430	15.0
69.07070	8.0
69.65784	3.8
71.04981	2.2
79.05505	5.3
81.03410	6.8
81.07059	9.0
83.04974	10.1
83.08614	3.7
85.02900	5.1
87.04468	1.6
87.08128	1.3
91.05470	10.4
93.03413	1.4
93.07040	7.2
94.06586	1.0
95.04971	3.5
95.08611	4.1
96.21922	0.9
97.02905	0.9
97.06554	1.7
97.10170	27.8
99.00826	2.3
99.04443	2.7
103.03946	1.0
105.07008	5.5
105.85117	0.8
107.04944	2.0
107.08570	4.0
108.08115	1.3
109.02884	1.4
109.06525	1.8
109.10133	2.3
111.04450	17.1
117.07001	2.0
119.08553	4.6
121.06512	2.5
121.10131	2.5
122.05997	0.9
123.08114	1.2
125.09618	11.1
129.05478	8.0
129.06981	2.2
131.07333	1.3
131.08553	4.1
133.10097	5.6
135.08067	1.2
135.11639	1.5
136.07567	1.2
138.09132	1.0
143.08597	2.0
143.10678	13.0
145.10094	2.2
145.73141	0.8
147.06528	10.8
149.13304	1.2
159.11740	1.7
161.09605	3.3
163.11212	1.5
165.07603	9.7
167.07126	1.7
173.13319	1.3
174.09108	5.5
177.12819	1.2
179.10715	1.1
187.12329	5.2
188.10709	3.0
192.93163	1.0
197.10818	1.0
199.08609	1.1
199.12334	1.3
200.09503	1.2
203.09114	8.9
211.08636	2.7
211.12283	1.5
212.09340	1.4
215.11816	3.7
221.10359	2.7
223.08543	1.5
225.10098	2.7
227.11809	3.4
237.10123	1.4
239.11777	3.3
241.13329	3.3
243.11278	30.3
249.10254	1.6
251.11729	3.2
253.09885	1.4
253.14221	1.4
259.11905	1.3
263.11749	1.1
265.09744	1.3
267.11295	6.7
269.12857	2.3
269.17419	2.2
271.15424	2.2
275.20132	2.0
277.09695	2.1
283.15210	1.3
285.12479	2.7
289.16422	5.6
291.19473	1.0
293.12503	1.2
295.10733	3.8
299.14856	6.5
300.11017	1.2
301.15543	3.7
305.11472	1.4
309.12360	2.0
314.12964	2.5
316.10873	1.5
316.14563	1.3
317.11591	1.7
323.13998	1.1
325.15479	8.9
327.13397	8.2
327.17719	2.2
328.10754	3.3
328.14505	1.8
329.11490	2.1
330.12302	3.1
330.15970	1.2
331.13223	1.7
334.15518	1.4
340.10800	1.5
341.11575	1.5
342.12329	4.2
343.13092	1.9
344.13956	4.2
345.14960	1.4
345.18967	11.9
346.15485	1.7
346.19336	1.1
348.13416	3.8
354.12161	2.2
355.13177	1.4
356.13788	4.9
357.14536	2.1
358.15497	4.0
359.16754	1.0
366.18521	1.3
370.15405	2.9
372.16949	6.5
384.17023	2.6
385.17798	1.3
386.14346	1.7
386.18814	2.5
400.16547	3.3
402.14191	1.3
407.15042	1.4
412.16348	1.8
413.25116	1.2
416.16104	1.4
417.16907	1.4
418.17630	2.2
419.18582	1.3
421.16736	2.0
422.17786	1.5
431.18750	2.0
432.19449	4.8
435.13913	2.4
435.18918	1.9
437.19803	3.0
444.19440	1.3
446.26007	2.4
447.22534	1.6
449.20190	2.7
450.16470	1.5
451.17197	2.1
456.53693	1.2
460.18512	1.3
461.23538	1.8
462.24365	2.6
463.21017	3.9
464.18024	1.7
465.18961	17.7
465.24051	1.1
478.19839	2.0
479.20425	9.5
480.21417	4.2
481.22195	3.6
487.28799	5.3
489.22925	2.0
491.20547	1.5
492.21484	3.5
493.22672	4.7
493.27997	2.1
504.21140	4.4
506.22241	1.1
507.23819	7.0
517.22168	2.0
519.19568	1.2
520.20837	2.2
535.23462	8.1
540.23749	2.7
549.24921	14.3
553.24182	2.9
553.42517	1.2
567.26007	67.6
577.24329	2.0
594.24261	1.4
595.25470	52.6
609.26721	1.3
626.32489	8.5
627.28070	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	21.7
66.75958	1.3
68.29070	1.3
69.03434	3.2
71.28426	1.5
71.28819	1.8
81.03391	3.3
83.04987	2.0
84.96040	3.9
85.02916	2.6
97.02934	2.8
98.97589	100.0
99.68891	1.4
110.97566	14.5
112.99149	3.0
116.98631	37.0
117.79556	1.2
124.99125	2.3
127.00720	2.4
128.98613	14.4
131.00136	3.4
134.99692	10.0
136.06271	1.6
136.99142	5.6
140.98720	2.2
143.00185	4.2
143.01904	2.5
146.99661	5.6
147.03265	1.4
149.01219	1.6
152.98679	1.9
153.02306	1.6
155.00163	23.5
157.01753	3.6
158.99663	22.4
159.00842	1.9
159.03308	5.3
161.01183	6.5
161.02728	1.2
163.02788	1.5
168.03702	1.3
170.99699	5.5
173.01237	15.3
173.04964	1.8
173.45636	1.3
175.02795	2.7
177.00751	25.2
177.04355	3.3
179.00299	1.9
179.02242	1.7
183.03343	1.4
185.01247	2.2
187.02798	3.0
189.00673	4.4
189.04375	1.8
191.02296	3.9
194.99483	1.5
196.94304	1.4
197.01231	30.6
197.04913	2.3
198.01799	2.1
201.00764	5.4
201.04378	4.8
203.02309	3.4
205.03813	3.5
211.04796	1.5
213.00771	3.2
214.95299	3.0
215.02278	30.6
215.05965	4.9
217.02058	3.0
217.03928	1.4
219.01791	32.8
219.05273	2.1
225.04431	2.2
226.02541	2.6
229.03886	2.2
232.96416	2.5
233.03293	6.3
237.02792	38.6
243.05499	1.6
247.04947	3.0
255.03813	2.6
257.03165	7.5
261.02707	1.5
265.05878	1.8
274.97647	1.9
275.04282	2.7
279.03891	2.6
289.06165	2.9
291.07449	2.3
301.07748	6.2
301.11279	2.1
301.57867	3.0
303.07581	25.5
303.11099	3.7
307.07111	4.8
317.05435	37.6
317.09253	2.0
318.06097	3.6
321.08600	24.8
321.12021	2.5
333.05127	1.8
335.06503	34.7
335.10229	2.1
336.06808	2.1
345.09189	1.7
349.04239	1.2
349.08203	21.4
353.07565	11.4
363.05334	3.0
363.09644	35.4
367.09128	11.1
367.12686	2.4
377.07550	38.5
377.12283	2.2
378.08011	3.1
381.10809	11.9
391.09116	3.6
395.08643	27.5
407.04639	1.6
409.10104	5.7
411.05881	2.5
437.09790	9.4
497.11838	4.0
595.15991	6.8
627.19006	42.9
628.19458	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	627.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30959	2.0
56.96568	15.4
60.81812	1.9
70.63080	5.5
78.07458	2.0
84.96046	4.7
97.02909	2.8
98.97586	100.0
103.39172	2.0
110.97567	16.4
116.98640	31.9
128.98634	11.6
134.99664	5.8
137.55098	2.5
143.00159	3.5
144.98155	2.5
146.99646	6.8
155.00168	6.8
157.01735	6.7
158.99649	37.1
159.03252	11.6
161.01234	4.1
170.99594	5.4
173.01189	3.0
175.02733	3.0
177.00725	27.5
177.04276	7.0
183.03436	2.7
189.00674	4.4
191.05923	2.6
197.01245	5.2
201.00682	4.8
201.04347	8.9
215.02267	10.2
215.05890	6.2
219.01779	48.4
219.05211	3.4
237.02815	55.7
243.05429	4.2
257.03326	3.7
257.06830	4.0
265.14664	2.2
279.03894	3.2
303.07495	57.4
304.07828	3.2
317.05460	7.9
321.05869	1.9
321.08585	51.0
322.08838	3.0
335.06396	7.7
335.10223	4.5
349.08466	4.4
363.09656	94.5
364.09863	3.9
377.07474	8.8
381.10596	17.2
395.08524	6.5
437.09839	4.5
481.75690	2.5
595.15375	2.3
627.19318	30.0
638.64844	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2811
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
51.36039	0.6
55.05503	1.2
62.20866	0.5
62.28109	0.5
67.05499	1.9
69.03437	1.5
69.07073	1.1
79.05496	1.5
81.07079	1.2
83.04977	0.6
91.05492	1.9
93.05787	0.6
93.07050	1.2
94.06566	1.0
97.06546	0.8
97.10181	1.8
105.07049	0.9
106.06570	0.8
107.08592	1.1
108.08179	0.7
109.06532	0.6
111.04488	1.4
117.07040	0.8
117.56685	0.5
118.06583	0.7
119.08591	0.9
120.04513	0.8
126.93780	0.6
130.06628	1.0
131.07335	1.2
131.08583	0.8
132.04443	0.7
133.10141	0.7
134.06052	0.9
136.07614	1.7
138.09125	0.7
143.08527	0.7
144.08076	0.7
146.06026	0.7
146.09647	0.9
147.06584	1.3
158.08360	0.6
158.24010	0.7
165.07614	1.0
172.07576	1.0
172.09909	0.7
174.09155	4.4
174.11417	0.6
182.09705	0.7
183.09174	0.7
185.07068	0.8
187.08675	1.3
187.12282	6.1
188.10738	3.4
190.05087	1.0
197.07208	0.8
197.10814	1.2
198.09225	1.2
199.08688	1.2
199.12437	0.7
200.09351	0.9
211.08585	2.8
211.12305	0.9
212.09422	1.2
213.10252	1.6
215.11829	3.9
216.12335	0.6
221.10782	0.7
223.08667	1.5
223.12405	0.7
224.09482	2.0
225.10165	4.0
226.11015	1.4
227.11804	4.3
235.08754	2.2
236.09418	0.7
237.10187	1.3
239.08147	0.8
239.11739	3.4
240.12585	1.0
241.09627	0.8
241.13423	4.2
241.15790	0.8
242.11761	0.7
243.11287	28.9
244.11699	1.5
249.10274	2.4
250.08717	0.7
250.11031	1.3
251.08232	0.9
251.11790	2.5
252.09061	1.6
252.12267	0.6
253.09766	2.6
263.11780	1.7
265.09628	1.5
267.11270	8.8
268.11844	0.6
269.12759	3.0
276.08740	0.8
277.09738	3.0
277.12534	0.7
281.13040	0.7
285.12369	2.8
291.11288	1.3
292.11325	0.9
292.14514	0.7
293.13071	0.8
295.10812	2.6
299.14224	1.6
300.11487	1.3
301.12454	1.1
301.15552	4.5
302.13062	1.3
304.11047	1.0
305.11600	0.8
309.12378	2.4
311.13937	1.0
313.12292	1.0
314.12912	2.6
315.10223	0.7
315.13614	1.4
316.10895	1.5
316.14401	0.7
317.11752	1.0
319.10733	2.1
319.14539	0.7
323.13806	0.8
325.12149	0.9
325.15561	10.3
326.12906	0.7
327.13498	8.0
328.10858	2.4
328.14493	2.0
329.11475	2.1
329.15228	1.1
330.12442	3.6
330.16077	1.5
331.13202	1.3
332.13879	0.9
334.15564	1.5
336.13580	1.2
340.14554	1.0
341.11713	1.1
342.12289	3.8
342.15967	0.6
343.13107	4.7
344.13959	3.6
344.17657	1.0
345.14569	1.0
346.15460	2.5
348.13297	3.6
351.13419	1.2
352.14343	0.7
353.14960	0.7
354.12378	1.7
355.13321	1.9
356.10175	1.2
356.14029	4.9
357.10922	0.7
357.14908	2.5
358.15427	4.0
359.16382	1.3
360.17001	1.2
362.14905	0.8
368.13843	1.1
369.10947	0.7
370.11572	1.1
370.15588	3.2
371.12546	1.1
372.17038	5.7
373.18073	0.7
374.14795	1.0
374.18936	1.3
378.15433	0.6
384.12994	1.2
384.17383	1.4
385.17914	1.2
386.14902	2.4
386.18845	2.1
387.16211	0.8
398.15051	1.7
400.16418	2.7
402.14090	0.9
403.16330	1.3
406.15659	0.6
407.15564	1.7
408.16568	0.9
412.16608	1.5
414.18402	0.7
416.16119	1.3
417.17044	1.8
418.17941	1.1
419.19189	1.0
421.16901	1.3
422.17987	1.0
423.17978	0.6
430.17551	1.7
431.18515	2.5
432.19815	3.7
433.16577	0.7
435.14590	2.1
435.19336	0.8
436.19760	1.4
437.19653	2.8
446.20615	1.2
447.22678	3.2
448.15250	0.9
448.21024	0.9
449.15402	1.5
449.20145	2.3
450.16058	1.1
450.21649	1.3
451.17728	2.3
451.22635	1.0
460.18506	2.4
461.23380	2.3
462.24850	4.1
463.22244	4.1
464.17731	0.8
464.22543	1.0
465.18790	17.8
466.19604	1.8
467.20828	0.7
472.19254	0.7
473.19214	1.0
477.19473	2.0
478.19781	2.9
479.20627	6.7
480.21518	4.9
481.22247	3.9
489.22647	1.8
490.22586	0.8
491.20270	1.2
492.21500	3.6
493.22940	5.8
494.22638	1.1
504.21140	3.7
505.21698	1.2
506.23279	1.2
507.24011	5.9
508.21103	1.8
517.22028	1.3
520.21130	1.8
521.25342	1.1
534.22583	0.8
535.23492	7.5
536.23920	1.2
537.21216	0.6
541.24353	0.9
549.24933	14.8
550.25177	1.6
552.23370	0.9
553.24969	3.0
554.24640	0.8
567.26019	71.8
568.26373	7.9
577.24335	1.6
581.27618	0.9
595.25476	52.3
596.25732	6.6
609.27466	0.8
626.63794	0.6
627.28088	100.0
628.28375	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	627.281
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
55.01870	0.9
55.05508	1.5
57.03452	0.6
57.07048	0.6
67.05504	3.4
69.07069	2.0
71.08611	0.8
79.05487	2.5
81.03398	1.3
81.07064	3.9
81.07458	0.5
83.04984	0.8
85.06530	0.7
85.44238	0.7
91.05468	4.1
93.07040	3.5
94.07430	0.7
95.04951	1.2
95.08594	1.6
97.06537	0.9
98.23402	1.0
102.61561	0.6
105.07047	2.6
107.08581	1.5
109.06503	0.6
109.10130	1.2
110.28676	0.6
117.07040	1.7
119.08577	1.8
120.04491	0.8
120.08110	0.8
121.10126	1.2
123.08120	0.8
129.06985	0.9
131.08548	1.9
133.10136	1.3
134.05939	0.7
143.08615	0.8
145.09042	0.7
145.10109	1.5
149.09686	0.9
157.10118	0.9
159.11702	0.8
160.11171	0.7
161.13206	0.7
163.11206	0.7
172.09908	0.7
173.13293	1.0
174.09135	1.4
182.09796	0.7
187.12321	5.9
188.10773	2.2
197.10811	1.0
200.09535	1.0
215.11830	1.9
225.10277	1.5
226.10924	0.7
227.11862	1.5
235.08571	0.7
237.10126	0.8
239.11765	1.7
241.13359	2.2
243.11293	24.1
244.11714	0.9
249.10286	1.0
251.11876	1.3
267.11209	2.9
269.12949	1.2
275.20020	0.9
277.09729	1.5
285.12369	1.1
291.11349	1.2
301.15540	0.7
302.12845	0.8
305.11847	0.6
313.12668	0.9
314.13040	1.0
316.14328	0.7
319.10718	0.7
320.13989	0.7
325.15463	14.4
326.16019	0.9
327.13858	1.1
328.10809	1.3
328.14496	1.1
330.12320	1.5
334.15482	1.4
342.12421	1.8
343.13116	1.9
344.13974	2.4
346.15442	1.5
348.13504	0.9
351.13425	0.9
356.13965	2.6
357.14587	1.0
358.15549	2.5
370.15649	1.3
372.17151	2.7
379.19464	0.8
386.18771	1.3
400.16556	1.4
403.16620	1.8
407.15222	0.9
408.15948	0.9
419.18665	0.7
420.16772	1.0
422.17188	0.9
425.20929	0.7
432.19556	2.9
434.18286	0.9
435.13977	1.0
435.19357	1.4
437.19852	2.0
444.19113	0.9
447.21735	2.7
449.20346	1.4
450.16254	1.1
461.23709	3.5
462.24329	3.4
463.21503	2.2
464.18292	0.8
465.18756	10.4
466.19891	2.4
477.19308	1.1
478.19803	1.4
479.20602	5.4
480.21310	3.9
481.21957	4.2
489.22568	1.0
490.22412	1.2
491.20770	1.0
492.21573	2.0
493.22696	3.3
507.24469	4.0
508.24176	0.9
517.22180	0.8
520.21088	1.3
521.25500	1.4
522.25525	0.8
534.22797	1.1
535.23376	9.7
536.23474	1.3
539.26868	1.2
549.24951	16.7
550.25079	2.3
552.23328	1.1
554.24329	0.8
567.25989	100.0
568.26361	12.2
577.24646	1.1
595.25476	23.8
596.25720	2.8
627.27509	15.1
627.36664	0.7
628.28339	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.7
55.05507	1.3
57.03445	0.6
66.49287	0.4
67.05499	3.6
67.77482	0.5
69.00887	1.7
69.01306	3.4
69.07066	1.2
74.96537	0.5
76.48029	0.5
79.05502	3.5
79.05888	0.6
79.89854	0.5
81.03425	1.0
81.07048	3.3
83.04972	0.9
91.05478	3.4
93.07029	3.2
95.04987	1.1
95.08619	1.7
97.06551	0.8
99.08073	0.6
103.05475	0.6
105.07027	3.0
107.04951	0.8
107.08612	2.0
109.10174	0.8
115.05449	0.5
117.07040	1.4
119.08614	1.3
121.06551	0.6
121.10169	1.2
123.08091	0.6
127.97494	0.6
128.06184	0.6
129.07014	0.7
131.08589	1.5
133.10161	1.1
135.08096	0.5
135.11681	0.7
138.09158	0.7
143.08569	0.7
145.10133	1.6
146.06061	0.5
147.11736	1.0
149.09610	0.7
155.08572	0.9
157.10083	0.7
158.08490	0.5
159.11687	0.8
161.13275	0.5
171.11652	0.8
173.09680	0.6
174.09216	1.9
180.33301	0.5
181.10146	0.6
187.12326	6.0
188.10713	1.6
197.10706	0.6
198.02228	0.6
198.09212	1.0
210.09193	0.7
213.10258	0.6
215.11865	2.4
225.10254	1.6
227.11742	1.1
235.08699	1.5
236.09450	0.7
239.11896	1.5
241.13429	1.9
243.11284	25.4
244.11699	0.7
249.10291	1.3
251.11925	1.0
267.11304	2.3
269.12973	0.9
277.09787	1.2
285.12317	1.1
291.11337	0.6
295.10834	0.7
300.11520	0.7
306.15854	0.6
313.12674	0.6
314.12866	1.0
315.13455	0.6
320.14102	0.9
325.15485	13.3
325.19131	0.9
326.12753	0.7
326.16248	0.6
327.13583	1.0
328.10828	1.1
328.14359	1.1
330.12347	1.5
330.16031	1.0
334.15662	0.7
342.12320	1.5
342.16022	0.8
343.13162	2.5
344.13837	1.3
345.14841	0.9
346.15857	0.9
356.13980	1.7
357.14905	1.2
358.15396	1.6
370.15619	1.4
372.17038	2.5
374.18750	0.8
384.17410	0.6
386.18805	1.5
398.14914	0.7
400.16595	1.6
403.16608	1.8
418.17450	0.8
420.16336	0.8
422.18094	1.0
423.18484	1.1
430.17896	0.9
431.18967	1.2
432.19092	2.3
435.14133	1.1
435.19226	0.7
437.19788	1.4
447.21857	2.2
449.15979	1.6
449.20706	0.9
450.16318	0.8
451.17035	0.9
460.18161	0.6
461.23328	2.4
462.24350	4.2
463.21451	2.2
465.18860	10.8
466.19171	0.9
475.20963	1.0
477.18698	1.1
478.20010	1.6
479.20172	4.8
480.21786	3.0
481.22366	3.6
487.16296	0.6
489.22699	1.3
490.23828	0.7
491.20679	0.9
492.21533	2.2
493.22617	3.1
494.23441	1.2
495.23566	0.6
506.23376	1.1
507.23865	4.6
508.24521	0.7
517.22229	0.7
520.21692	1.0
521.25415	0.9
535.23334	8.4
536.23816	0.8
549.25018	14.8
550.25153	2.3
552.23804	1.1
567.26001	100.0
568.26337	13.3
577.24536	0.6
595.25494	20.3
596.25824	2.7
609.44312	0.9
627.27753	5.9
628.28406	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2812
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
51.79984	0.6
53.03924	0.5
55.01845	0.8
55.05505	1.4
65.03944	0.7
67.05502	3.3
69.07049	1.3
70.02949	0.8
79.05475	2.1
80.65120	0.6
81.07018	2.7
85.91746	0.7
91.05446	2.7
93.07044	1.8
94.06541	1.1
95.04968	1.5
95.08578	1.2
102.95467	0.6
105.07011	1.7
107.08551	1.1
111.08137	0.7
112.51233	0.7
117.06993	1.1
118.06511	0.8
119.08591	0.9
121.10123	1.1
122.06024	0.8
130.06453	0.7
131.07307	1.2
131.08498	1.3
133.10121	1.7
135.11650	0.8
136.07547	1.5
138.09068	0.8
143.08583	0.9
144.92421	0.6
157.10159	0.7
158.09665	0.7
160.11230	0.8
163.11128	0.7
171.11681	0.7
172.07501	1.5
174.09152	4.5
186.09174	1.1
187.12344	5.4
188.10719	3.5
190.04939	0.8
196.09761	0.9
197.06989	1.0
197.10767	1.1
211.08720	1.8
212.09367	1.3
213.10255	1.0
215.11765	4.3
223.08847	0.8
224.09384	1.3
225.10161	3.3
227.11832	2.8
228.09036	0.9
235.08701	1.5
237.10159	1.5
239.11783	2.1
241.09872	0.7
241.13342	3.2
243.11293	26.4
243.13818	1.3
244.11589	1.7
249.10275	2.4
251.11871	1.8
252.08968	1.5
253.09703	2.7
263.11713	1.0
265.13113	1.0
267.11249	7.0
268.11798	0.6
269.12894	1.2
275.08102	0.7
277.09680	1.9
279.11014	0.8
281.13043	0.8
283.14304	1.0
285.12384	1.9
291.11203	1.0
293.12808	0.7
295.10773	3.2
301.12320	0.9
301.15494	2.1
302.13049	1.0
304.10843	1.0
305.11420	0.9
309.12442	1.3
314.12930	1.0
315.10175	0.9
315.13538	1.5
316.10806	2.1
316.14261	1.4
317.11646	0.8
318.12363	0.9
319.10510	0.9
320.13943	1.0
325.15536	11.9
326.12726	1.0
326.16296	1.3
327.13504	3.5
328.10754	2.5
328.14398	2.0
329.11630	1.7
329.15204	0.8
330.12387	3.6
330.16006	1.0
331.13165	1.1
332.17593	0.7
334.15521	1.7
341.11496	1.4
342.12280	3.3
343.13269	4.6
344.13956	5.1
345.14786	2.2
346.15570	2.2
348.13498	5.5
349.14008	0.7
354.12277	1.3
356.13855	3.1
357.14557	2.1
358.11557	0.8
358.15402	3.8
360.17148	1.1
362.15231	1.1
368.14236	0.8
370.15485	2.5
372.17160	4.1
374.14877	1.2
386.14957	2.1
386.19000	1.3
387.15646	1.1
390.14465	0.8
398.14935	0.9
400.16534	2.8
403.15567	1.3
404.16461	1.0
406.14682	0.9
412.16376	0.8
416.16052	0.8
419.18445	1.3
420.16260	1.4
422.17426	1.8
423.18134	1.1
431.18094	0.9
432.19452	3.7
433.19885	0.9
435.13809	1.3
435.18872	2.0
436.19824	0.9
437.19760	2.8
444.18939	0.7
445.20178	1.0
446.20633	0.9
447.21786	3.1
448.20981	0.9
449.15561	1.3
450.17111	2.2
451.17667	2.9
451.22565	1.0
452.21899	1.2
460.18973	1.9
461.23376	2.7
462.24835	3.9
463.21692	5.3
464.18182	1.3
465.18884	17.4
466.19870	2.6
472.19812	0.9
473.19824	1.0
475.21313	1.3
476.19397	0.9
477.19446	2.2
478.20233	2.0
479.20471	7.3
480.21606	5.2
481.22333	3.2
489.22937	1.6
490.21060	1.9
491.20648	2.5
492.21448	3.8
493.22928	4.4
494.22989	1.2
502.20288	0.9
504.21387	1.9
505.21082	1.0
506.23511	1.8
507.24115	4.7
508.21494	2.1
517.22626	1.9
518.20715	0.8
519.19946	0.8
520.21002	1.4
521.25482	1.3
535.23505	7.0
536.24274	1.4
537.21545	1.0
539.26263	0.9
541.24963	0.7
549.24957	15.7
550.24738	2.0
553.24518	2.2
554.25134	0.8
563.23468	1.1
567.26013	89.0
568.26422	9.6
577.24414	2.8
578.23962	0.8
595.25507	100.0
596.25726	10.1
609.27240	5.2
610.27191	0.8
627.28088	43.9
628.28015	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	627.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.6
53.03951	6.2
55.01875	8.2
55.05511	21.0
57.03439	14.6
57.07064	3.1
58.19289	1.2
65.03934	2.8
67.05505	56.0
68.05835	2.0
69.03447	1.2
69.06731	1.8
69.07069	20.8
69.09419	10.2
71.04991	2.9
71.08630	1.2
79.05495	47.0
81.03413	4.9
81.07058	58.6
83.04980	5.8
83.08614	8.6
85.06542	3.0
89.06023	3.0
91.05483	49.1
93.07044	43.5
94.07375	1.4
95.01308	2.6
95.04970	7.1
95.08607	37.8
97.06523	12.4
97.10170	4.2
99.04468	2.0
99.08071	3.0
105.07030	46.2
106.07348	1.3
107.04971	8.2
107.08594	19.9
109.06519	7.4
109.10153	14.9
111.08093	3.3
117.07021	13.8
119.07777	2.6
119.08573	29.2
121.06527	2.0
121.10145	16.2
123.08074	3.2
123.11689	4.4
125.09633	1.3
128.06213	1.7
129.07010	2.4
131.08566	20.1
133.10127	22.7
135.08057	3.6
135.11700	11.1
137.09610	4.3
137.13255	1.7
139.07581	1.7
143.08548	2.7
145.06502	1.5
145.10115	15.0
147.11685	12.9
149.09593	4.2
149.13274	5.6
151.11186	2.3
155.08539	1.5
157.10127	1.5
159.11705	11.2
161.13242	3.8
163.11214	2.9
163.14816	2.2
169.10091	1.5
171.11697	1.6
173.13260	6.5
175.14868	1.8
179.14339	4.4
183.11751	1.3
185.13289	3.2
187.14833	1.7
189.11125	1.9
197.13141	2.2
199.14912	1.4
201.16406	3.8
203.14258	2.4
209.15332	1.3
209.43564	1.4
219.17433	100.0
220.17729	6.9
239.18057	2.3
247.20496	1.9
257.18982	6.8
261.22043	2.6
271.88940	1.6
273.18494	1.3
275.20074	43.8
276.20432	3.7
291.19366	4.0
293.21045	4.0
321.78534	1.5
331.22397	1.3
335.25793	73.6
336.26062	6.0
349.23709	16.6
350.24152	2.0
609.45087	43.9
610.45526	6.2
627.45703	5.5
627.66364	1.9
628.47095	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	628.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28695	1.2
53.03934	1.9
55.01874	4.7
55.05516	27.8
57.03441	4.5
61.02927	3.8
65.03941	2.2
67.05504	21.6
69.03448	4.6
69.07077	6.2
69.91636	3.3
73.02908	1.5
79.05489	25.4
79.05911	2.0
81.03429	7.1
81.07052	13.5
82.14567	1.3
83.04996	4.0
83.08608	10.8
85.02921	3.7
85.06590	1.5
91.05466	19.3
91.05923	1.7
93.07050	12.9
95.04931	7.4
95.08635	4.0
97.02869	1.6
97.06541	4.2
97.10176	26.6
98.23273	1.4
103.05475	21.5
105.07030	11.8
107.04975	4.3
107.08607	9.5
109.02844	1.5
109.06554	2.0
109.10176	5.3
111.08125	2.8
112.07642	2.3
114.57378	1.3
115.05486	3.7
117.07019	20.9
119.07879	1.3
119.08578	6.9
119.19514	1.4
121.06512	3.6
121.10144	2.9
125.09634	21.7
128.06238	4.5
129.06978	7.7
130.07841	1.7
131.04929	2.2
131.08565	15.1
133.06459	1.5
133.10150	3.1
135.08081	4.9
136.04752	1.4
141.06998	9.2
142.07742	2.0
143.08568	8.8
145.06505	10.4
145.10110	11.4
147.08049	3.5
149.09607	2.2
153.09074	3.4
154.07816	3.5
155.08556	4.5
157.06471	4.4
157.10141	7.6
159.08043	4.1
159.11714	16.3
161.02394	1.4
161.09663	3.8
162.94958	1.3
163.03964	4.0
163.11205	1.7
167.08577	4.2
169.10136	20.3
171.08063	4.8
173.09521	1.5
179.08609	1.7
181.10146	2.6
183.11697	1.7
185.09663	6.1
187.11183	65.0
188.11620	3.1
189.09309	2.8
189.11249	10.6
195.08209	1.5
195.11729	3.0
197.02414	1.3
197.09721	3.4
199.11143	2.7
201.12813	1.5
203.10789	2.9
205.10237	1.6
205.12183	1.8
209.09698	3.8
209.13203	2.6
211.11122	2.6
213.09131	2.2
214.05727	1.4
223.11348	2.3
225.12839	2.0
227.10718	3.6
227.12738	18.1
245.13779	3.7
269.00043	1.6
293.19061	2.5
311.20062	5.2
321.18420	5.7
339.19519	22.1
340.20074	1.5
356.15814	1.7
357.20670	5.6
365.19577	1.7
388.63641	1.7
413.23239	29.9
414.23468	3.8
431.24304	100.0
432.24686	10.2
449.25418	15.1
450.25385	2.3
483.24219	1.4
596.99982	1.7
610.26953	2.2
628.28326	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	628.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94007	2.7
53.03922	5.0
55.01875	7.6
55.05508	11.2
57.03445	5.5
67.05505	21.0
69.03417	3.9
69.07071	36.1
69.18620	21.3
71.04978	4.6
79.05491	36.9
81.03414	9.5
81.07046	29.2
83.04990	7.6
83.08611	7.2
85.02895	5.6
91.05484	37.5
93.07033	20.6
95.04960	9.4
95.08606	10.2
97.02889	4.6
97.06515	21.7
103.05463	9.1
105.07027	25.4
107.04944	3.7
107.08584	16.0
109.10181	5.1
115.05457	7.4
117.07013	36.1
118.02000	2.9
119.04942	2.8
119.08568	14.1
121.10151	9.4
123.08052	4.1
125.06020	6.2
127.03893	3.6
128.06206	4.9
129.07010	25.5
131.04880	3.3
131.08565	23.5
133.06488	7.3
133.10101	5.6
135.08022	6.5
137.09554	4.8
140.72649	3.3
141.06955	12.7
143.07059	19.8
143.08540	11.9
145.06511	12.3
145.10109	6.9
147.11736	3.7
149.09612	6.3
152.04686	3.2
153.06972	3.1
155.08585	11.6
157.06531	6.1
157.10141	8.8
159.08081	4.7
159.11687	4.0
161.08011	3.0
163.03864	5.0
167.08594	9.3
169.10139	11.2
171.11697	10.7
181.10130	5.9
183.11665	7.8
185.09644	6.3
187.11177	6.9
187.14908	4.6
195.11623	7.1
197.13243	8.6
198.65428	3.9
199.09671	13.7
207.11710	3.1
213.09169	3.4
213.12689	6.3
215.10687	3.3
215.14326	16.8
231.14021	3.6
233.15463	3.9
241.12224	5.9
259.09543	3.4
259.13235	6.1
293.19086	6.2
311.20105	6.0
311.69278	3.3
315.15887	8.8
321.18387	6.6
330.65826	3.5
333.16916	5.9
339.19568	14.0
357.20709	6.9
395.22443	5.6
413.23196	78.0
414.23648	8.4
431.24274	100.0
432.24545	5.5
449.25024	20.5
593.29114	4.9
628.30054	7.1
629.23413	3.6
639.01190	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	628.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.6
55.05488	1.0
57.03437	3.7
57.07082	6.3
58.06603	28.4
59.07383	8.5
60.08167	8.1
67.05508	7.4
69.07058	0.9
69.67557	1.9
71.08637	3.8
73.02891	0.5
75.04493	2.0
79.05462	0.6
81.07053	2.3
83.08587	1.1
84.08122	0.9
85.02906	2.1
85.10183	2.3
87.04479	3.1
89.06041	3.8
90.76392	0.6
90.76895	0.5
91.05474	0.6
93.07006	0.7
95.08622	2.2
95.72790	0.4
97.06520	0.5
97.10162	0.8
100.11210	0.9
102.05515	0.7
103.03869	0.4
109.10152	5.6
111.08053	0.5
113.05973	1.4
119.08570	0.6
130.08598	0.4
131.07040	1.7
133.08575	1.7
144.10204	14.0
157.03284	0.4
162.11261	5.2
177.11249	0.8
199.25113	0.4
200.12819	0.7
218.13812	0.7
236.14926	88.5
237.15219	2.4
294.85321	0.4
301.77753	0.5
313.27463	1.0
324.39859	0.5
349.84323	0.5
369.30084	0.5
372.23804	4.1
390.24841	7.7
391.25052	0.5
391.36060	0.5
412.37851	0.6
436.33002	0.4
440.56311	0.5
456.36829	5.9
474.37906	14.6
475.38260	1.4
545.38696	0.6
606.40662	0.5
628.47815	100.0
629.48199	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	628.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	1.6
55.05507	4.0
57.03436	5.2
57.07077	6.0
57.56166	0.4
58.06601	34.1
59.04981	0.9
59.07381	8.8
60.08168	8.2
64.04791	0.5
65.03930	0.7
67.05506	15.8
67.54496	0.4
68.05806	0.9
68.60700	0.4
69.07070	3.6
71.04977	0.9
71.08635	3.8
73.02871	0.6
75.04483	2.8
79.05492	4.7
80.05785	0.7
81.07059	9.2
81.11433	0.5
82.07364	0.8
83.04961	0.6
83.08628	2.5
84.08126	1.1
85.02901	2.5
85.06489	0.7
85.10168	2.5
87.04472	3.6
89.06032	3.6
90.76414	0.6
91.05482	5.6
92.05769	1.1
93.07047	5.2
94.07344	0.9
95.04945	1.0
95.08602	7.5
96.08913	0.8
97.06505	1.2
97.10163	1.1
98.23322	0.9
100.32531	0.4
102.05545	1.2
105.05470	0.5
105.07030	3.7
106.07354	0.7
107.04948	0.7
107.08581	3.8
108.08861	0.9
109.06490	0.6
109.09467	0.6
109.10149	8.0
113.05952	1.6
117.06975	1.5
119.08613	2.8
119.09297	0.7
120.08897	0.6
121.10139	2.2
122.10458	0.7
123.11668	0.7
129.06964	0.7
130.08612	0.6
131.06999	1.7
131.08556	2.5
132.08871	0.7
133.08591	1.7
133.10085	2.3
135.11647	0.8
143.08577	0.4
144.10190	15.4
144.11331	0.8
145.10153	0.8
146.10399	0.6
147.11644	1.6
148.12032	0.6
149.09619	0.8
149.13245	0.6
150.13577	0.5
159.11650	1.1
161.13264	0.5
162.11282	6.3
163.11229	0.6
169.10052	0.5
171.11629	0.8
173.11560	0.5
173.13177	0.6
177.11275	0.5
182.98903	0.4
187.14764	0.6
195.11519	0.5
200.12776	0.9
218.13869	1.3
219.17409	1.5
220.17810	0.9
236.14914	94.8
237.15254	3.7
257.19061	0.5
275.20047	1.4
276.20404	1.7
285.16769	0.5
313.27621	0.8
335.25821	1.3
336.26227	1.4
350.24139	0.5
355.15536	0.8
372.23770	4.9
390.24832	9.8
391.25333	0.6
412.37567	0.9
456.36884	6.5
457.36917	0.6
474.37936	16.1
475.38367	0.9
610.45227	2.2
611.46490	1.1
628.47772	100.0
629.48236	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	629.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36143	1.7
55.05973	1.5
56.96569	28.8
69.67471	6.4
71.95275	1.6
84.96046	6.7
85.02885	2.1
97.02890	3.1
98.96925	2.5
98.97588	67.1
110.97574	22.5
112.99144	90.6
116.98631	17.0
124.99118	3.6
128.98619	18.4
130.99187	4.0
131.00175	78.4
132.00508	1.6
134.99725	3.0
140.98581	2.4
143.00165	9.2
144.98134	2.0
145.01740	1.7
146.99666	4.2
149.01231	26.3
152.98692	1.9
155.00171	2.1
157.01758	2.5
158.99689	13.3
161.01259	4.3
170.99673	11.7
173.01262	13.1
174.99084	1.8
175.02850	6.6
177.00758	9.0
185.01286	5.2
187.02780	2.7
189.00764	7.3
191.00806	1.6
191.02209	7.5
193.00302	1.9
193.03842	22.6
199.02759	1.6
201.00670	13.3
203.02347	5.7
205.03882	2.2
209.01295	7.3
211.04901	11.9
213.00784	4.5
217.00102	1.9
217.04030	1.9
219.01778	82.9
220.02048	1.7
227.02238	4.1
233.03297	2.1
235.04977	5.1
237.02837	100.0
238.03229	2.5
247.04944	2.3
255.03954	5.4
257.03513	1.8
263.04242	2.6
267.00327	1.6
275.04367	25.6
277.06067	2.3
279.07501	2.0
281.05737	1.9
293.05478	34.9
297.00357	1.6
303.09109	1.7
315.03906	1.9
319.07132	3.4
333.04974	5.5
335.06628	1.9
337.04477	2.3
337.08054	66.6
337.12070	3.3
338.08432	3.1
342.51968	1.9
349.04669	2.6
353.07312	2.3
355.04681	3.3
355.09116	67.1
356.09344	2.6
374.03351	1.7
375.06363	2.4
378.05957	1.6
378.10831	1.9
383.08487	1.6
387.05209	1.4
393.05023	1.8
400.03665	2.2
401.04163	2.3
405.11310	2.2
431.08749	5.4
449.09656	29.3
451.11282	17.9
629.16003	75.1
630.16290	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	630.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	12.3
55.01868	16.4
55.05512	48.8
57.03439	21.3
57.07074	10.3
58.39759	4.0
59.05003	11.0
67.05505	94.8
69.03422	9.3
69.07072	33.0
70.06577	6.8
71.04992	7.6
71.08621	12.5
79.05489	69.2
79.64916	4.1
81.03429	19.7
81.07059	75.5
82.07363	4.4
82.45654	4.4
83.01342	10.7
83.04978	25.5
83.08615	30.7
85.02902	8.7
85.06553	11.6
88.07652	11.2
91.05476	55.5
93.07039	87.7
95.04980	21.8
95.08607	41.0
97.02905	4.4
97.06528	12.9
97.10152	17.6
99.08112	8.3
102.09151	5.4
105.07034	43.9
107.04968	15.0
107.08592	49.8
109.06522	17.8
109.10144	54.6
111.04467	4.9
111.08080	17.0
117.07040	23.2
119.08580	44.7
121.06470	11.7
121.10147	36.2
122.10496	7.6
123.08080	27.7
123.11672	4.4
125.06065	6.8
125.09671	9.5
129.06967	10.8
130.07771	5.3
131.08575	19.2
133.10136	26.4
135.08072	17.0
135.11697	19.6
137.09686	8.6
142.07831	4.7
143.08569	15.5
145.10104	32.9
147.08038	9.5
147.11688	6.8
149.02336	20.4
149.09637	11.2
149.13269	11.8
151.07538	8.6
151.11227	7.4
157.10129	15.8
158.10518	7.0
159.08104	4.7
159.11694	11.9
161.09627	12.7
161.13316	6.2
163.11176	28.1
165.09181	7.5
167.10686	27.0
168.10994	8.9
169.10056	11.2
171.11604	10.5
173.09612	9.1
173.11710	8.6
173.13184	11.3
175.11246	6.2
175.14948	5.9
179.10710	5.0
181.10014	7.8
181.12230	10.0
189.12733	8.5
193.04993	22.7
194.82655	4.4
197.13136	5.7
199.11266	4.9
209.11664	10.4
211.11130	7.5
221.15324	18.8
227.12752	19.7
228.23257	19.0
229.14270	40.1
233.15370	18.8
234.15724	7.5
237.07550	7.3
259.20712	5.5
269.17471	23.7
277.21634	11.3
283.15399	100.0
284.15738	5.7
299.20160	5.0
326.77335	5.2
351.25238	17.3
351.29398	5.3
369.26260	11.9
385.09006	10.0
420.58881	5.7
429.12036	5.7
437.25415	46.5
453.24768	8.8
461.29193	5.8
477.28635	60.1
478.28802	11.2
559.36047	19.1
560.35364	5.6
577.37421	10.4
630.32361	39.0
630.41840	15.3
631.41199	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	630.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.8
55.01873	1.1
55.05509	4.6
57.03436	3.5
57.07072	5.2
58.06312	1.5
58.06604	29.4
59.06931	0.7
59.07388	10.4
60.08163	7.5
67.05505	4.2
68.08389	0.6
69.07079	2.5
71.08259	0.7
71.08619	3.5
75.04497	2.2
79.05492	2.2
81.07061	3.2
83.08615	6.9
85.02919	1.7
85.06563	1.2
85.10184	1.9
87.04467	3.5
90.87301	0.7
91.05499	1.9
93.07063	2.7
94.42620	0.5
95.04981	2.1
95.08613	4.5
97.06562	0.8
97.10180	1.3
98.23357	1.7
102.05543	0.7
105.05538	1.4
105.06372	0.6
105.07043	2.0
107.08622	1.5
109.10180	1.7
110.73508	0.7
111.08109	1.8
113.06013	1.5
117.07082	1.2
119.08554	1.3
121.10134	1.2
123.08162	0.8
123.11669	0.7
131.07118	0.9
131.08617	1.4
133.10141	1.6
135.11618	0.8
142.07849	0.7
143.08530	0.8
144.10201	14.4
146.08110	0.9
159.11717	0.6
161.09579	0.6
162.11292	4.5
165.09143	1.0
218.13905	0.9
221.15338	1.0
236.14923	74.5
237.15332	2.7
254.84915	0.8
313.27216	0.8
369.29950	0.9
374.21722	8.2
387.19635	0.7
392.22711	8.5
456.36710	5.8
474.37912	13.7
475.38162	1.2
507.05688	0.7
612.44727	4.4
613.45471	0.8
630.45740	100.0
631.46173	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	630.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.6
55.01871	2.8
55.05504	6.4
57.07075	33.9
58.07415	1.3
59.05005	2.0
63.22214	1.2
67.05505	9.3
69.03416	3.2
69.07076	6.5
69.14102	8.4
71.04996	2.2
71.08630	26.8
73.06557	8.9
79.05492	8.5
81.03426	1.6
81.07050	9.4
83.04984	3.3
83.08596	4.9
85.06551	2.8
85.10178	21.4
85.10661	1.4
87.04466	9.0
89.06030	100.0
90.06366	1.7
91.05477	8.7
91.07610	1.4
93.07034	11.6
95.04962	4.8
95.08604	6.9
95.34019	0.9
97.06550	3.9
97.10175	4.1
98.06960	1.1
99.04457	2.2
99.11744	4.0
105.07028	14.5
105.07684	1.5
107.04963	2.2
107.07081	3.2
107.08587	7.7
109.06525	3.0
109.10141	4.6
110.01864	0.9
111.08112	2.2
111.11664	0.9
113.13280	2.3
115.05396	1.4
117.07051	2.8
117.09138	6.6
119.08572	9.8
121.06512	2.7
121.10143	11.9
123.08065	6.4
125.09641	2.5
128.06223	2.3
129.07025	3.9
130.08650	1.6
131.07057	2.2
131.08563	6.7
133.08597	50.0
133.10083	7.1
134.08957	1.5
135.08063	3.3
135.11705	2.9
137.06061	1.2
137.09621	3.1
139.11209	1.3
142.07773	2.6
143.08589	5.1
145.10139	7.3
147.08047	2.8
147.11707	3.4
149.09685	2.4
151.07558	3.6
151.11156	1.6
153.09061	1.2
154.07683	1.1
155.08607	1.6
155.17917	6.0
156.09348	2.4
157.10086	5.6
159.11685	4.3
161.09633	2.7
161.11771	1.6
161.13287	1.8
163.11212	3.6
165.06995	1.2
165.09140	3.7
167.08540	1.3
167.10687	6.4
169.10167	2.6
171.11720	3.1
173.09602	2.1
173.13298	2.2
175.09734	1.8
175.11134	1.8
175.14854	2.1
177.11220	20.6
181.10201	1.4
181.12254	3.7
183.11731	2.4
185.13290	2.2
187.14815	1.2
189.12782	2.6
191.14323	1.2
193.10223	1.5
195.11722	2.8
197.13263	2.0
199.11185	1.0
199.20610	4.5
201.12753	1.4
201.16379	1.1
203.14258	1.1
205.10208	1.1
207.11821	1.1
207.13759	1.7
209.13113	1.6
211.13182	1.4
215.14243	1.6
221.13579	2.9
221.15417	7.2
223.14995	1.3
225.16591	1.3
233.15454	2.4
239.14409	1.0
243.23123	7.2
247.17102	1.1
286.19193	1.3
287.25824	3.1
369.24448	1.5
459.27713	1.2
573.28796	1.1
599.01038	1.0
599.40619	1.6
612.40070	2.1
613.43750	2.1
630.22437	1.2
630.47577	2.0
631.41302	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2396
Annotation	CHEBI:81547
Peak:m/z	Relative Intensity
65.03923	1.4
67.05506	11.8
70.89394	2.1
78.56613	1.3
79.05492	1.6
86.20709	1.4
89.23125	1.4
91.05493	6.3
93.07038	2.7
94.06572	11.0
95.04980	3.2
106.06554	1.3
108.08140	4.0
117.07022	4.4
120.08079	2.2
122.06030	27.6
134.09647	9.4
136.07585	28.8
136.08630	2.0
144.08138	2.6
147.06784	1.7
159.09209	1.6
160.07640	1.8
162.05525	3.3
162.09142	25.0
164.07080	6.8
172.07584	2.9
173.07149	2.0
175.08684	3.3
182.08170	2.1
187.08629	7.7
188.07091	4.1
189.10272	3.5
190.08633	31.6
190.10193	2.5
199.08734	2.1
201.06587	3.5
202.07312	1.9
203.08234	1.4
208.09796	2.9
212.09476	3.2
213.06688	2.5
213.10266	9.2
214.10912	3.0
215.08157	13.7
216.08955	3.1
217.09761	13.3
218.08131	27.4
218.10065	1.9
225.10234	1.9
226.11107	1.9
227.08253	5.7
227.11807	6.9
229.09763	3.3
231.07680	1.8
233.09274	5.5
234.10030	7.2
235.10757	17.1
237.06529	1.8
239.08255	5.1
241.06119	12.5
241.09702	9.2
242.06734	2.5
242.10480	2.5
243.07692	2.3
252.08925	1.7
253.09853	4.2
254.10484	1.9
255.11368	9.9
257.09302	4.5
257.12848	7.4
259.07153	22.8
260.07898	6.1
261.08716	32.1
262.09045	2.5
267.07660	10.8
267.11398	3.3
268.08466	2.0
269.09225	11.1
270.09573	1.7
271.10895	1.8
273.09210	1.4
273.12445	4.6
274.13126	3.2
275.14014	7.9
281.09286	13.3
283.10995	2.3
285.08569	7.4
287.10272	11.3
293.05722	3.3
295.07092	2.9
299.10220	13.7
300.11023	3.9
301.11850	18.5
302.12372	1.8
304.14514	2.5
305.07974	2.0
305.16623	2.2
305.46732	1.5
311.10333	8.0
313.08191	6.6
314.13184	1.8
315.13586	3.2
316.14371	1.4
320.14020	3.2
330.12527	2.5
330.16089	2.9
331.14117	1.6
332.13895	2.4
333.15936	3.8
338.11508	1.5
343.12848	1.7
344.13956	2.1
350.15280	2.3
351.16913	1.6
356.14142	2.1
358.15479	3.4
360.13376	2.5
361.14993	1.8
364.16739	1.6
374.15021	5.0
376.16672	9.7
377.14316	2.4
378.14615	5.7
384.13556	2.1
386.15201	4.3
388.12869	1.9
392.16318	4.5
394.18011	7.0
395.15176	2.0
396.15588	15.5
397.15918	1.7
402.14426	10.4
403.12958	1.9
404.16147	15.2
405.16260	2.4
412.13196	1.9
412.18625	3.4
418.14490	1.7
420.15485	8.4
422.17068	19.6
423.16879	2.7
424.19122	1.8
430.13995	9.8
432.15451	7.4
433.13846	4.2
436.18744	2.3
438.16730	5.0
440.18073	8.2
448.15027	15.6
450.16577	43.3
451.16101	5.8
452.18481	1.6
458.13522	4.4
466.16022	11.3
468.17694	43.4
469.18002	4.2
470.19284	4.6
476.14551	36.0
477.14789	4.8
478.16504	1.9
482.19223	2.5
494.15582	93.5
495.15848	11.8
496.17151	24.8
497.17737	2.9
567.22363	1.6
585.23309	5.9
595.22083	3.5
603.24487	3.2
613.13428	2.7
613.22876	32.3
614.23065	4.7
631.23969	100.0
632.24170	15.3
653.74152	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2393
Annotation	CHEBI:81547
Peak:m/z	Relative Intensity
53.03935	1.8
65.03915	1.6
67.05499	11.0
67.13903	1.2
70.89043	2.5
79.05466	1.2
80.05009	1.8
91.05479	5.4
93.07040	2.9
94.06565	17.0
95.04966	4.2
97.02837	1.7
97.06557	2.4
99.76775	1.2
108.08101	3.0
117.07040	1.4
120.08121	1.8
122.06026	34.3
134.09650	2.5
136.07565	30.8
140.07428	1.1
144.08034	1.3
159.09247	1.2
162.05507	2.1
162.09175	6.7
164.07088	4.3
168.06642	2.9
173.07100	1.2
173.10573	1.1
175.08698	3.9
181.09747	3.1
182.08170	3.6
185.06976	1.3
185.10756	2.8
186.07951	1.8
187.08702	4.4
189.10402	1.4
190.08624	8.9
197.10783	1.4
199.08675	3.0
199.12309	2.1
200.09424	1.8
201.06648	1.7
208.09683	2.5
211.08659	4.3
212.09477	3.8
213.06625	1.9
213.10229	9.2
214.07365	2.0
214.10938	3.4
215.08191	4.8
215.11749	2.1
216.08965	4.0
217.09825	2.9
225.10262	5.5
226.10959	1.4
227.08130	2.0
227.11801	11.7
229.09778	3.3
229.13290	2.6
233.09206	2.7
234.09953	7.7
235.10814	6.4
237.06599	1.4
237.10179	1.5
239.08153	4.2
240.08917	3.7
241.06067	8.8
241.09763	8.7
241.11884	1.6
242.06697	1.4
242.10388	1.5
243.07689	1.9
243.11311	4.0
245.12917	2.6
252.06494	1.5
253.09679	7.6
254.10492	5.0
255.11255	25.3
256.11816	2.7
257.09286	4.1
257.12848	11.9
259.07159	5.7
259.10675	3.7
260.07928	7.2
261.08789	8.9
261.12457	3.2
262.09140	1.9
267.07602	16.3
267.10187	1.7
269.09146	12.7
271.10791	4.1
272.11548	2.2
273.12354	18.5
274.13168	8.1
275.13910	20.7
281.09167	21.5
281.12070	1.7
283.10815	3.9
285.08783	7.6
287.10178	8.9
295.07227	4.3
299.10226	30.0
300.10797	3.4
301.11810	24.6
302.12717	3.4
305.16379	1.6
313.08176	1.9
315.09900	1.9
315.13745	3.0
316.14651	1.9
318.12524	1.8
320.13950	1.7
327.09634	2.5
330.16095	3.7
332.13907	2.5
333.15179	1.8
336.13879	1.4
342.12366	1.6
348.13220	1.7
348.16974	3.4
349.15216	1.6
350.14917	1.8
356.14078	2.5
358.15591	5.9
360.13477	1.7
366.18167	2.9
374.15021	3.1
376.16629	11.2
377.14188	1.9
378.14572	5.2
379.15268	1.3
384.13611	2.5
386.15051	2.5
387.13345	1.3
392.16074	3.3
394.17676	7.3
395.14343	1.8
402.14288	6.4
403.14816	1.3
404.16043	15.0
405.14523	2.0
406.13422	1.7
406.18030	1.9
412.18607	1.6
420.15720	6.4
422.17096	15.4
423.16998	2.4
424.18515	2.0
430.13889	6.3
432.15674	5.1
433.13736	6.1
436.18613	3.6
438.16608	2.1
440.18137	10.9
441.18799	1.6
448.14954	11.6
450.16574	61.3
451.15756	7.3
453.16031	1.3
458.13449	2.2
466.16043	16.4
467.16284	1.8
468.17618	65.5
469.17929	7.0
470.19220	9.1
476.14496	45.3
477.14655	5.6
482.19208	3.6
494.15546	100.0
495.15884	11.2
496.17041	31.3
497.17410	3.7
585.23145	3.3
603.24146	4.1
613.22888	18.6
614.22815	1.8
631.23975	86.6
632.14740	2.1
632.24280	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	631.2392
Annotation	CHEBI:81547
Peak:m/z	Relative Intensity
67.05506	9.8
69.82606	7.7
69.82879	1.8
74.15935	1.4
91.05491	6.7
93.07030	4.4
94.06565	10.5
95.04989	2.2
98.23285	2.9
104.78855	1.4
108.08123	5.3
110.06113	2.5
111.95466	1.5
117.07041	4.8
119.08606	1.7
122.06031	28.0
125.28510	1.5
128.72136	1.6
134.09656	8.6
136.07576	29.5
144.08148	1.9
148.07657	1.7
160.07570	4.1
162.05521	4.0
162.09169	22.2
164.07069	10.2
172.07568	3.1
174.09213	2.3
175.08701	3.6
182.08194	4.0
185.10867	2.7
187.08702	8.2
188.07072	5.4
189.10202	2.6
190.08621	32.8
191.08928	2.9
201.06638	3.8
201.10431	1.7
202.07272	2.4
208.09610	3.2
211.08730	3.1
212.09471	2.3
213.10274	9.0
215.08141	17.4
215.11639	2.4
216.08881	4.9
217.09734	12.9
218.08119	27.3
218.10049	2.2
219.08231	1.5
227.08220	4.2
227.11845	5.3
229.09761	2.8
229.13486	2.9
232.12070	2.4
233.09283	7.4
234.10045	5.7
235.08647	3.1
235.10736	18.3
239.08109	4.5
240.08899	2.5
241.06032	13.1
241.09767	8.7
243.07785	3.8
253.09795	4.9
254.10597	1.7
255.11285	10.0
257.09244	6.6
257.12933	6.9
258.09418	1.7
259.07156	25.8
259.10074	2.9
259.10785	2.7
260.07803	8.8
261.08725	26.1
262.09085	2.8
265.06143	1.8
267.07690	9.9
267.11261	4.6
269.09198	13.4
271.10681	2.2
272.11533	1.7
273.12399	7.5
274.13156	2.9
275.14008	10.9
281.09137	9.9
285.08826	8.0
287.10184	12.4
295.07181	3.5
299.10315	15.4
300.11154	2.6
301.11847	22.1
302.12631	3.2
305.07913	1.8
305.12524	1.8
309.33121	1.8
311.10211	10.8
313.08118	7.9
314.13086	2.4
316.14319	2.6
325.90933	1.9
330.12518	2.1
330.16156	5.0
331.13657	2.0
332.14117	2.5
333.15359	2.3
343.13330	2.0
344.13947	2.7
348.13309	2.2
348.16943	3.8
351.17120	2.4
356.14139	1.9
358.15717	5.2
359.13330	2.5
360.13480	3.8
374.14972	4.3
376.16727	14.2
377.14099	3.1
378.14575	6.3
384.13324	2.5
386.15225	2.6
392.16107	5.0
394.17740	7.1
395.15103	3.2
396.15521	12.3
397.15500	2.2
402.14624	9.6
403.14465	2.0
404.16040	18.5
412.18628	2.1
420.15668	7.6
422.17078	22.5
430.13947	8.2
432.15427	8.3
433.13861	4.7
436.19098	2.4
438.16571	6.0
440.18109	7.5
448.15039	17.5
450.16571	46.6
451.16049	7.3
454.19803	2.4
458.13507	6.9
466.15979	10.6
468.17627	41.8
469.17993	5.3
470.19379	5.7
476.14520	42.0
477.14932	3.6
478.16302	2.4
482.19324	3.7
494.15555	100.0
495.15805	10.0
496.17307	24.1
497.17300	2.6
585.23334	5.8
595.21680	3.1
603.24420	4.4
613.22943	32.3
614.23383	5.0
631.23914	99.3
632.24072	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	631.276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.6
55.01881	3.3
55.05506	17.0
57.07074	8.6
58.62771	2.3
59.04998	7.3
65.03953	3.4
67.05502	27.1
69.03452	12.9
69.07064	16.8
71.05000	4.5
79.05491	28.0
80.05046	4.4
81.03422	4.7
81.07056	33.6
83.04980	17.5
83.08621	10.1
85.02906	2.6
85.06550	9.7
91.05474	45.5
92.05061	2.4
93.07040	56.8
93.68459	3.0
94.06590	4.6
95.04960	23.7
95.08616	30.5
96.86852	3.0
97.06541	9.6
97.10181	3.0
99.04450	4.9
103.05470	8.0
105.04541	4.1
105.05797	2.9
105.07030	52.9
106.06556	3.0
107.04958	5.6
107.08600	37.9
108.08188	3.5
109.06516	18.7
109.10155	23.2
111.04464	2.4
111.08093	9.2
115.05502	4.1
117.07044	14.1
118.06579	7.9
119.08583	53.5
120.08105	100.0
121.06516	11.3
121.08372	3.2
121.10138	62.4
123.08073	29.5
123.11710	4.1
125.06013	10.2
125.09644	10.1
126.78492	2.4
128.06218	6.6
129.07036	14.4
130.06541	4.4
130.07822	5.3
131.08545	24.9
132.08084	4.7
133.06493	6.9
133.10126	31.9
135.08044	16.4
135.11710	9.9
137.09625	11.7
139.11174	4.5
141.07033	8.6
142.07745	12.3
143.08580	18.3
144.09309	3.7
145.06506	4.3
145.10121	34.7
146.06027	6.0
146.09668	3.5
147.08055	15.1
147.11678	12.3
148.07564	45.3
149.09604	14.6
150.09140	5.0
151.07564	23.5
151.11172	3.6
153.07047	3.7
154.07759	2.8
155.08568	11.0
155.10641	3.7
156.09363	5.0
157.10136	25.9
158.10867	3.4
159.06879	2.6
159.08031	13.5
159.11700	18.4
161.09599	14.9
161.13229	5.0
163.11182	13.3
164.10718	4.7
164.13362	2.8
165.07088	4.1
165.09119	20.7
166.07776	4.1
167.08508	6.1
167.10678	50.3
168.09416	2.6
169.10153	15.4
171.11714	16.1
173.09633	11.2
173.13228	13.0
174.05515	5.6
174.09154	12.5
175.11191	8.0
175.14879	6.5
179.08548	4.0
179.10683	3.9
180.09360	4.9
181.10089	7.1
181.12282	8.4
182.10892	6.8
183.09261	4.7
183.11661	13.8
185.09563	5.0
185.13248	10.1
187.08813	3.1
187.11211	8.0
187.14841	7.5
188.07112	3.0
189.10257	10.7
189.12801	10.6
190.11053	12.8
191.11760	10.5
191.14360	4.7
192.10216	8.7
193.10197	7.0
194.10916	3.0
195.11714	11.8
195.13748	3.7
196.10097	3.5
197.13289	9.4
198.95517	2.8
199.08519	2.8
199.11177	4.6
199.14862	6.0
201.09134	3.4
201.12816	2.7
203.11873	3.8
203.14330	12.4
206.08171	4.1
207.11694	7.8
207.13837	10.0
208.12460	3.8
209.13292	8.8
209.15401	6.7
210.11742	2.8
211.12303	9.2
211.14922	6.3
213.12773	6.2
215.10683	3.4
215.14384	8.7
217.09758	24.6
219.11629	3.5
221.15331	40.7
222.14041	3.5
223.14877	5.5
225.16508	3.2
229.15840	3.9
231.11494	5.9
231.13719	5.2
232.06007	3.9
233.13332	4.6
233.15393	22.5
235.14784	5.7
241.12230	2.9
243.13791	3.1
247.16982	6.2
251.14211	4.3
257.09229	8.1
259.10760	2.9
264.15063	4.2
271.14511	3.6
273.18646	3.9
281.18866	3.1
284.15173	3.3
285.15930	12.7
286.19443	4.5
287.20029	10.1
292.14349	6.0
294.12762	3.5
294.16077	5.3
299.20023	7.1
306.16086	13.5
313.15680	5.0
322.15442	31.2
323.16238	17.4
333.14542	4.3
334.15540	10.9
335.15930	3.6
336.17026	4.5
346.15829	3.3
347.46271	3.2
348.17160	17.6
349.17551	8.6
350.14990	9.8
352.10010	2.9
364.16690	13.7
365.17325	39.5
376.16589	20.6
377.17206	10.7
377.24930	5.5
391.26215	5.5
392.19629	15.6
394.17371	3.1
396.19064	5.5
396.74884	2.9
404.16025	19.0
405.16138	4.2
405.23727	4.2
408.19022	18.1
409.19879	6.0
410.16965	13.4
424.18613	12.1
429.19324	3.0
436.13272	4.8
436.18713	53.1
437.18820	7.6
452.18118	18.4
464.17929	11.7
469.22159	3.7
484.20734	83.7
485.21033	9.9
496.20712	89.4
497.21088	5.0
529.24207	6.4
543.26068	38.5
544.26013	5.7
571.25635	16.2
589.26514	5.5
599.40643	11.8
603.28333	15.4
613.26703	4.6
613.40796	8.4
631.26575	6.5
631.43854	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	631.399
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59418	2.9
53.03938	12.0
55.01868	5.4
55.05504	24.4
57.03408	4.0
57.07069	13.0
59.04998	9.1
61.73969	3.0
64.54797	2.7
65.03926	4.1
67.05505	45.3
69.03425	27.2
69.07069	25.6
71.04978	5.0
71.29749	3.3
71.30447	3.5
79.05493	49.2
81.07053	51.3
83.04974	22.6
83.08634	21.8
85.02905	4.6
85.06573	8.1
85.30122	3.2
87.04460	3.9
91.05481	74.9
93.07043	74.0
95.04975	37.4
95.08603	45.3
97.06535	19.1
99.04476	4.8
103.05424	7.3
105.07028	97.7
107.04957	8.1
107.08599	74.1
107.26418	3.7
109.06510	35.0
109.10148	29.8
111.04414	4.1
111.08083	7.0
113.09657	5.8
115.05455	13.9
116.06232	7.2
117.07009	27.1
118.07627	3.0
119.04926	3.9
119.08581	76.8
121.06522	31.4
121.10136	85.9
123.08054	38.3
123.11699	6.6
125.05988	6.6
125.09626	22.7
128.06194	19.9
129.07011	25.6
130.07800	10.1
131.08568	52.1
133.06516	17.3
133.07437	3.2
133.10123	64.2
135.08066	34.3
135.11716	15.4
137.09671	15.7
139.11140	7.8
141.07016	11.4
142.07796	24.3
143.08580	43.3
144.09319	8.6
145.06471	9.8
145.10120	60.7
146.07240	4.4
147.08040	35.1
147.11688	18.7
149.09619	43.9
151.07538	35.5
151.11134	3.4
153.06990	9.3
153.09090	5.3
154.07747	7.2
155.08591	22.4
155.10701	5.9
156.09352	21.7
156.27802	3.7
157.10135	52.3
158.10863	10.1
159.08049	37.7
159.11728	37.0
160.08739	3.9
160.12160	3.7
161.05948	3.4
161.09630	21.3
161.13266	12.0
163.07611	8.2
163.11159	14.2
165.06992	12.3
165.09108	29.5
166.07791	8.2
167.08498	14.2
167.10677	72.1
168.09285	9.0
169.10144	35.9
170.10901	13.1
171.08003	9.0
171.11684	33.4
172.08858	4.7
172.12425	4.4
173.09631	24.9
173.13216	24.0
175.07556	10.2
175.11162	17.1
175.14836	8.2
177.09079	11.9
179.08559	12.3
180.09334	4.0
181.10168	22.6
181.12193	13.9
182.10870	10.3
183.08084	6.2
183.11720	20.2
184.08966	3.8
184.12390	4.6
184.20111	3.2
185.09595	16.2
185.13295	15.8
186.10593	4.3
187.07539	8.1
187.11197	14.6
187.14777	12.5
189.09123	8.5
189.12761	23.4
191.14302	9.4
192.09290	8.2
193.10155	18.7
193.12035	3.4
193.40294	3.3
194.10895	10.3
195.11710	21.8
195.13339	3.6
196.12442	9.0
197.09653	15.8
197.11565	3.0
197.13237	17.6
198.10255	6.1
199.11171	21.4
199.14824	18.2
201.09111	12.0
201.12724	8.2
203.14296	16.7
204.09222	3.5
205.10184	4.4
206.10968	5.3
207.11674	16.3
207.13821	22.7
208.12361	6.7
209.09624	13.9
209.13266	20.9
209.15277	8.6
210.10406	4.6
210.14034	4.1
211.11215	14.0
211.13072	4.0
211.14851	22.6
213.12776	19.6
213.16422	8.0
215.10741	6.7
215.14273	20.2
217.10208	5.3
217.12177	4.3
219.11667	7.7
221.13226	12.7
221.15369	52.1
222.13983	4.0
223.11253	15.7
223.14871	7.7
225.12732	9.0
225.16286	16.5
227.10710	6.7
227.14294	4.7
229.12283	7.8
229.15865	5.0
231.11699	5.3
233.13219	5.3
233.15347	100.0
234.15913	7.5
235.14769	8.0
236.15282	4.5
237.12691	7.2
237.14641	5.6
237.16621	5.8
239.10675	4.0
239.14265	8.6
239.17995	5.1
241.12202	9.2
241.15875	5.7
243.17422	5.7
244.12462	5.0
245.13318	6.4
247.14734	5.3
247.16957	9.8
249.12752	9.3
249.16400	5.5
253.12204	3.6
253.15819	4.2
255.13747	3.9
255.17436	13.6
257.19125	3.3
259.13095	6.3
261.16278	7.3
263.14215	8.1
265.15833	6.3
267.17355	12.1
269.19031	7.0
273.18619	8.5
279.17444	11.1
285.18591	6.5
286.19543	4.0
287.20114	5.4
291.17380	4.7
297.18481	10.5
299.20181	7.1
309.18732	6.8
311.19986	4.7
315.19763	25.5
325.18069	9.1
329.18851	4.3
343.19055	49.7
344.19540	5.9
393.24399	4.6
409.23877	5.4
467.31509	9.4
577.36334	5.1
595.38190	18.9
599.40485	4.0
613.38995	26.6
614.39117	4.3
626.35602	3.5
631.31555	25.8
631.42029	19.1
632.31897	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	631.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	10.5
55.05518	39.0
57.07084	16.0
58.13686	5.6
59.04997	10.8
59.05952	4.7
62.69176	4.7
65.03952	7.0
67.05504	61.5
69.03436	24.9
69.07075	37.4
71.05009	9.4
71.29159	8.4
79.05489	63.0
79.73479	4.7
81.07060	59.1
83.04989	34.9
83.08611	26.2
85.02904	5.9
85.06566	20.2
91.05489	77.3
93.07047	87.6
95.04967	58.8
95.08604	54.6
96.08984	5.3
97.06546	20.4
99.04462	8.0
105.07041	95.9
107.04973	13.0
107.08594	74.4
109.06528	37.0
109.10162	47.2
111.04473	10.2
111.08068	13.6
113.09664	8.4
115.05430	6.2
117.07034	26.8
119.08569	96.0
120.08939	6.9
121.06519	38.8
121.10146	100.0
123.08094	39.3
123.11710	15.7
125.06023	12.8
125.09639	20.7
128.06230	10.0
129.07010	24.9
130.07753	9.8
131.08572	69.6
133.06522	18.2
133.10141	61.0
135.08072	36.4
135.11720	19.5
137.09624	16.5
139.11214	10.7
141.07024	13.5
142.07764	25.4
143.08604	45.5
144.09325	9.3
145.06499	9.5
145.10112	70.3
147.08058	36.0
147.11723	20.3
149.09618	34.1
151.07581	28.1
151.11163	6.1
153.07005	10.0
154.07841	10.5
155.08572	21.7
155.10605	6.6
156.09354	20.6
157.10130	56.7
158.07333	5.4
158.10944	8.5
159.08073	33.6
159.11739	38.8
161.05945	8.0
161.09552	28.3
163.07545	12.1
163.11226	25.9
165.07019	10.5
165.09099	28.6
166.07841	6.1
167.08577	12.8
167.09367	6.5
167.10661	63.3
169.10094	26.4
170.10912	7.8
171.08060	10.9
171.11713	29.0
173.09679	21.5
173.13242	24.5
175.11208	16.8
175.14819	16.7
177.09164	6.6
179.08585	9.8
181.10149	20.7
181.12250	20.3
182.10974	10.5
183.08073	8.5
183.11748	19.8
185.09677	12.2
185.13295	14.9
187.11243	16.2
187.14841	10.3
189.09161	6.9
189.12776	17.5
191.14247	14.7
193.10191	15.7
194.10893	11.7
195.11720	26.6
196.12485	10.1
197.13313	20.2
199.11232	12.4
199.14865	15.2
201.09174	8.1
201.12762	10.8
203.14297	13.0
205.15790	6.0
207.11713	20.2
207.13795	16.4
209.09642	5.3
209.13292	20.3
209.15253	8.8
211.11208	13.9
211.14915	13.5
213.08958	7.1
213.12749	15.1
215.14333	15.1
219.11694	6.4
220.12427	6.4
221.13316	11.2
221.15405	55.9
223.11253	6.9
223.14879	13.6
225.12758	10.1
225.16466	6.7
227.10500	8.8
227.14363	10.7
231.13873	7.2
233.13329	9.1
233.15369	54.4
235.14857	7.4
237.16579	6.7
239.14299	7.9
239.17953	10.2
247.17102	8.7
251.16502	9.9
255.17453	8.4
258.07977	6.3
259.17221	7.2
269.19107	9.7
279.17657	7.9
281.18970	6.5
285.16232	9.0
287.20065	9.5
297.18643	9.9
299.20071	10.5
386.26682	5.7
496.29944	7.0
581.39484	7.9
585.51825	7.0
595.37225	7.1
599.40662	10.7
613.39008	22.6
631.33307	16.7
631.42139	26.7
635.26947	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	631.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.8
54.67118	1.1
55.01861	3.9
55.05509	21.1
55.32800	1.1
57.03416	3.8
57.07066	5.9
59.04993	2.2
60.70545	1.1
65.03937	3.1
67.05504	19.9
69.03093	1.6
69.03429	16.8
69.07063	17.2
70.67748	1.7
71.04985	3.5
71.28453	2.1
77.03915	2.3
79.05487	23.3
81.03393	4.5
81.07056	19.8
83.04984	11.5
83.08626	9.5
85.02892	2.2
85.06542	6.4
85.22244	1.4
87.04463	2.1
91.05476	31.4
93.07037	30.5
95.04974	18.3
95.08041	1.9
95.08607	19.2
97.06534	8.9
97.10165	15.0
99.04421	3.0
103.05445	3.7
105.04470	2.0
105.07030	39.3
107.04937	5.3
107.08588	30.4
109.06531	11.1
109.10157	18.7
110.10507	1.1
111.04440	4.2
111.08067	3.6
113.06002	1.2
113.09637	1.9
115.05442	3.9
117.07021	9.8
119.04955	1.6
119.08577	35.6
121.06506	12.6
121.10129	33.0
123.08077	11.0
123.11702	4.4
125.05981	3.5
125.09621	9.9
128.06216	8.4
129.05453	2.5
129.07014	10.2
130.07805	3.2
131.08580	18.4
133.06454	6.0
133.10127	24.9
133.92462	1.7
135.08049	13.4
135.11684	6.0
137.05986	1.4
137.09608	6.0
139.11166	2.8
141.06966	5.4
142.07764	8.6
143.08566	18.9
144.09311	2.6
145.06458	5.2
145.10123	23.4
146.10603	1.7
147.08046	12.2
147.11691	8.2
149.09621	13.7
151.07542	9.1
151.11111	1.5
153.07011	2.2
154.07745	3.8
155.08578	9.0
155.10629	4.1
156.09360	11.2
157.10124	22.8
158.07292	1.9
158.10864	2.9
159.08031	13.7
159.11682	12.0
160.08832	1.6
161.09619	7.5
161.13246	4.6
163.07510	3.8
163.11172	7.1
165.06996	4.0
165.09079	6.1
166.07758	2.7
167.08502	4.1
167.10689	22.8
168.09341	3.2
169.10107	9.9
170.10814	4.3
171.08029	4.4
171.11649	14.5
172.08885	1.4
173.09575	10.7
173.13277	10.5
175.07585	2.9
175.11194	6.7
175.14777	4.3
177.09131	3.2
177.12808	2.4
179.08517	3.7
179.10687	2.4
180.09381	3.1
181.10138	9.2
181.12201	4.6
182.10818	3.1
183.08073	3.4
183.10168	1.5
183.11644	9.2
184.08875	1.7
184.12456	2.4
185.09563	5.7
185.13257	6.9
187.07524	2.8
187.11142	5.1
187.14798	3.7
189.09106	2.1
189.11250	1.3
189.12650	8.5
191.14272	3.0
193.10066	6.6
193.11740	1.2
194.11067	2.5
195.11755	7.2
196.12402	2.5
197.09644	6.6
197.13289	7.9
198.10068	1.2
199.11201	7.7
199.14809	7.4
201.09068	2.3
201.12701	3.2
203.14287	4.3
205.10197	2.4
206.10875	1.9
207.11696	6.5
207.13771	5.0
208.12419	3.2
209.09564	2.4
209.13213	5.8
209.15263	2.5
210.10495	2.1
210.13928	2.0
211.11163	4.9
211.14854	5.0
212.12035	1.6
213.12741	5.0
213.16341	1.8
215.14317	5.4
217.15880	1.7
218.10806	1.9
219.11650	1.7
219.13759	1.3
221.13231	5.2
221.15375	9.9
222.13898	1.8
223.11172	5.8
223.14784	3.6
225.12759	3.7
225.16408	4.6
227.14320	2.0
229.12346	1.8
231.11598	3.0
231.17419	1.5
233.13263	3.3
233.15358	27.2
234.15778	1.9
235.11172	2.1
235.14804	5.4
237.12747	3.2
237.16319	5.1
239.14301	2.8
241.12169	3.0
241.15945	2.3
243.11703	1.9
243.17451	1.9
246.14107	1.9
247.11235	2.4
247.14717	1.8
247.16960	4.6
249.12769	2.7
249.16402	2.3
251.14302	1.6
251.18126	2.5
253.15768	2.0
255.11794	2.0
255.17459	3.9
257.18903	1.8
262.13327	1.6
265.15979	2.8
267.17407	2.6
269.18988	3.6
273.18430	3.7
275.20157	2.5
277.15845	1.9
279.17365	2.0
283.17191	1.7
285.18536	2.2
287.17685	1.7
297.18512	2.8
299.20139	2.4
303.17334	2.4
307.17102	1.4
309.18350	1.9
311.14597	1.6
313.16068	4.5
315.19531	2.9
325.17783	2.2
326.88141	2.0
343.18958	3.2
385.18286	22.1
471.25256	1.7
553.36743	1.5
571.26636	1.4
577.36768	3.7
595.37360	5.2
599.40717	2.6
613.38727	11.2
631.36047	100.0
632.36737	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	631.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83529	2.7
53.03926	4.3
55.01894	3.4
55.05516	9.3
57.03430	2.7
57.07072	5.9
59.04997	4.3
67.05508	19.2
69.03433	17.3
69.07151	23.2
70.26694	2.6
71.99286	3.0
79.05488	19.8
81.03432	4.2
81.07066	26.6
83.04990	12.5
83.08616	9.1
85.06547	6.0
91.05493	35.9
93.07043	34.2
95.04961	16.6
95.08605	19.5
97.02921	3.1
97.06535	12.2
99.35857	2.6
103.05496	3.2
105.07043	44.1
107.04968	3.5
107.08593	32.7
109.06531	12.5
109.10155	14.9
111.04384	3.8
111.08047	5.6
115.05427	3.9
117.07041	13.5
119.08575	38.8
121.06499	13.6
121.10139	35.0
123.08057	26.2
123.11723	3.7
125.09621	8.1
128.06221	6.0
129.07056	15.2
129.08096	2.8
130.07771	2.9
131.08556	21.3
133.06514	9.4
133.10130	29.4
134.10532	3.0
135.08064	20.7
135.11691	7.6
137.09550	12.9
139.11172	3.3
141.07037	5.3
142.07799	9.6
143.08556	21.0
144.09355	3.4
145.10135	22.7
147.08083	26.5
147.11700	6.0
149.09599	19.8
151.07529	18.1
153.06926	3.3
155.08583	8.6
156.09331	7.9
157.10135	20.2
159.08075	16.8
159.11717	11.5
161.09631	14.3
161.13261	9.5
163.07643	2.7
163.11203	7.2
165.09125	45.7
167.08533	4.9
167.10663	24.2
168.09410	3.5
169.10127	11.0
170.10863	6.6
171.08014	11.6
171.11670	11.4
173.09615	4.2
173.13318	12.1
175.11214	7.9
175.14774	4.6
177.09073	5.3
180.09253	3.9
181.10187	10.1
181.12247	4.1
182.10941	3.5
183.08014	3.2
183.11694	10.2
185.09644	6.4
185.13248	7.8
187.11313	4.1
187.14761	4.3
187.78458	3.2
189.09120	5.9
189.12758	14.1
191.10619	4.4
193.10153	7.1
194.10878	2.7
195.08029	3.3
195.11702	11.9
197.09732	3.3
197.13297	4.6
199.11218	6.3
199.14839	5.5
201.09181	3.4
201.12773	3.5
203.14317	16.5
207.11702	5.8
207.13799	8.6
208.12502	3.6
209.09718	4.5
209.13289	8.0
209.15303	6.0
211.11214	8.5
211.15039	4.0
213.12769	3.4
215.14288	4.4
221.13420	4.0
221.15367	82.3
222.15723	5.8
223.11226	5.1
223.14825	3.2
225.12720	4.1
227.14246	3.0
233.15321	15.9
237.12648	4.9
241.12199	3.4
245.12939	3.1
247.14702	3.7
247.16954	11.9
253.12111	3.3
261.12573	3.7
263.14334	4.0
265.12384	3.2
265.15860	4.0
275.14261	3.4
312.20807	9.0
335.23862	3.1
373.21506	4.0
375.22299	2.8
385.51367	3.0
431.29279	2.9
449.30112	6.3
467.31577	100.0
468.32211	5.8
473.26642	3.1
539.31110	3.6
577.36566	5.6
584.89758	3.3
595.37518	9.0
613.38843	15.5
614.39160	3.3
631.40045	65.2
632.40161	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	632.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
54.82256	0.6
55.00232	0.6
55.01884	5.6
55.05278	0.8
55.05517	9.7
57.03439	47.4
59.04987	1.8
61.02912	2.3
65.03921	0.7
67.05183	1.0
67.05510	11.2
69.03433	5.5
69.07076	4.8
71.01351	1.7
71.04985	1.7
71.24794	0.5
77.03923	0.7
79.05496	47.4
80.05009	1.0
80.05775	0.7
81.03418	8.5
81.06586	1.2
81.07059	22.0
82.07404	0.7
83.01338	4.6
83.04983	8.2
83.08611	5.8
85.02438	0.7
85.02899	3.6
91.03955	1.0
91.05486	12.0
93.07040	15.5
94.07368	0.7
95.04973	4.7
95.08609	4.4
97.02888	3.0
97.06536	7.5
97.10162	4.1
98.06056	1.5
98.23349	1.7
99.04433	2.7
100.36555	0.6
103.03954	1.2
105.04537	1.2
105.07030	5.5
107.04955	5.2
107.08595	29.8
109.06516	5.3
109.10145	1.9
110.28040	0.6
111.04440	1.8
111.08091	3.2
112.98244	0.6
115.05460	0.8
116.07047	1.0
117.07018	9.0
119.08597	3.8
121.06487	2.0
121.10162	4.3
123.08082	4.9
125.05901	1.0
125.08736	1.3
125.09634	18.1
127.03893	1.4
131.04823	0.8
131.08554	2.5
133.10104	1.4
135.08064	12.4
135.09079	0.8
135.11705	7.6
137.09657	1.2
138.05450	0.9
143.08548	1.0
145.10136	7.6
147.08069	1.0
149.09651	1.0
153.09117	13.0
153.12747	1.1
155.08519	1.2
157.10077	0.7
163.03926	1.5
163.11197	12.3
171.10205	1.4
173.09589	2.3
181.12225	2.1
189.09010	0.6
191.10692	2.2
194.11719	1.1
199.07529	1.1
209.11665	3.2
227.12784	100.0
228.13124	2.8
255.12393	1.9
255.15906	2.3
259.09610	1.4
265.14432	1.1
283.15411	46.8
284.15762	2.7
331.15244	1.2
337.14420	2.1
355.15424	2.1
356.15909	0.8
373.16354	4.2
417.22580	1.7
424.22256	0.7
435.23776	62.8
436.23865	4.7
474.08746	0.9
633.26660	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01871	6.3
55.05514	6.8
57.03440	13.5
61.02918	3.4
65.03941	1.9
65.32642	0.8
67.05507	25.2
69.03449	3.8
69.07059	6.3
69.32479	0.7
71.01350	2.7
71.04978	2.6
79.05493	42.3
80.05006	1.3
80.05801	0.9
81.03417	8.7
81.07066	11.0
83.01341	4.0
83.04981	6.3
83.08601	2.6
85.02918	4.0
85.06548	2.0
91.03947	1.0
91.05485	40.6
93.07046	35.1
93.07636	1.8
94.07366	1.0
95.04990	5.0
95.08600	3.1
95.29426	0.7
97.02863	1.7
97.06529	11.6
97.10149	5.4
98.06052	1.3
105.07038	3.2
107.04948	5.0
107.08599	28.5
109.06531	2.5
109.10139	2.4
111.04423	1.8
111.08091	1.6
115.05468	3.6
117.07020	31.0
118.07346	1.0
119.08580	4.1
121.06467	1.2
121.10165	3.7
125.09623	1.4
126.34472	0.7
127.03940	1.4
133.06512	1.0
133.10147	2.2
135.04543	0.8
135.08060	34.8
135.11690	30.4
136.08434	1.0
137.09595	1.9
138.05515	1.6
145.04872	1.1
145.06487	1.6
145.10153	5.8
153.09113	2.2
157.10127	0.9
163.07544	9.1
163.11270	3.8
181.08620	1.4
181.12238	7.6
194.11743	2.5
199.09663	2.4
199.13191	0.9
210.01633	0.7
211.07486	0.8
237.11176	1.0
246.41599	0.8
248.59035	0.8
255.12288	39.2
255.15906	49.0
256.12717	1.3
256.16183	2.8
355.15247	1.5
372.09903	0.8
373.16470	2.1
417.22556	2.0
435.23785	100.0
436.24097	8.5
632.23889	1.0
633.28796	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	632.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.01868	1.9
55.05510	11.6
57.03435	13.5
57.07056	1.7
61.02917	3.5
64.36742	0.8
66.33488	0.9
67.05504	40.9
68.05836	0.9
69.03416	1.5
69.07059	11.7
71.01353	2.7
71.04993	3.6
73.02911	1.5
79.05489	34.2
81.03407	5.1
81.07061	18.4
83.04969	9.5
83.08604	2.7
85.02906	4.0
85.06539	3.0
91.05478	17.0
93.07038	42.7
94.07343	1.3
95.04976	6.1
95.08607	7.1
97.02893	2.4
97.06541	10.8
97.10160	10.5
99.04448	1.4
99.08084	1.4
100.25118	0.9
105.04507	1.3
105.07044	6.9
107.04944	2.3
107.08591	32.4
108.08878	1.3
109.06528	2.7
109.10162	6.5
111.08031	2.0
117.06999	5.0
119.08559	7.3
121.06495	2.2
121.10143	8.3
123.08054	1.4
123.11713	1.2
125.09611	2.1
129.07005	1.5
131.08556	2.4
133.10143	5.2
135.08052	3.0
135.11688	46.9
136.12001	1.2
137.09630	2.0
139.11111	1.0
141.07008	1.0
143.08583	2.2
145.10109	10.1
147.08034	1.1
147.11707	1.6
153.09201	1.2
153.12782	1.6
155.08566	1.2
157.10185	1.1
159.08032	1.4
163.11180	7.3
167.10728	2.4
181.12234	13.2
185.13264	1.1
194.80598	0.9
199.13260	2.5
255.15901	68.0
256.16290	3.4
375.08521	1.2
435.27402	100.0
436.27725	10.9
445.50296	1.1
633.41534	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.5
67.05506	6.7
69.03426	5.1
70.46403	4.6
71.02483	2.4
77.03975	1.7
77.16433	1.8
79.05519	8.3
80.05019	3.0
81.03398	2.6
81.07042	2.1
82.06580	2.3
83.04979	2.3
84.04462	1.6
85.02893	1.8
91.05454	8.6
93.05775	3.7
93.07054	6.0
94.06554	23.9
95.04989	3.3
95.07357	3.4
96.08148	4.5
96.24162	1.5
97.02953	2.3
97.06538	4.5
106.06572	13.8
107.07390	2.1
107.85413	1.7
108.08114	75.4
110.06070	1.8
110.09695	11.8
111.04411	2.1
113.06036	1.9
116.10698	1.5
117.07003	6.6
119.04937	4.8
119.08624	1.8
120.08102	15.8
121.06613	1.6
121.08890	1.9
122.06028	26.7
122.09695	8.7
124.07578	3.2
131.07300	2.9
132.08052	3.0
134.06036	3.9
134.09674	10.4
136.07574	72.8
137.07907	2.3
138.09138	61.1
140.07045	2.2
143.08633	1.8
144.08064	5.0
146.05998	2.8
146.09654	4.8
147.04420	15.2
147.06833	2.3
148.07576	5.0
150.05504	1.7
158.06094	2.5
159.06758	3.2
160.07613	7.0
162.05501	6.1
162.09145	21.3
163.03882	1.9
164.07066	47.2
165.07780	1.6
166.08633	10.5
170.09520	1.8
172.07620	5.4
173.08372	8.0
174.09119	10.0
176.07071	5.1
177.06624	5.6
181.09715	32.6
182.08139	3.1
184.11250	2.3
186.09166	2.0
188.07094	7.8
190.08624	39.5
191.08022	10.1
192.10129	2.2
198.09183	5.1
199.10036	1.9
200.07086	3.7
201.06502	2.7
202.07315	6.6
202.08929	10.3
203.08127	5.6
204.06567	2.8
208.09821	3.5
212.10745	4.6
213.10146	2.4
215.08287	2.4
215.11777	2.8
216.10365	3.5
217.09671	16.4
218.08119	84.5
219.08717	5.6
220.09793	4.9
226.08688	2.2
227.08163	2.5
227.11864	3.7
228.10208	4.6
230.08170	7.5
230.11737	2.7
233.09215	2.5
235.10817	4.2
236.09198	12.7
239.11877	1.8
240.10199	4.7
241.09770	4.4
243.07690	3.9
243.11331	2.3
244.09673	12.1
245.09258	8.1
248.09244	5.1
254.08125	2.9
255.11292	1.9
257.09171	4.0
258.11349	19.7
259.11014	4.2
261.08704	80.2
263.10178	5.0
265.11893	2.5
267.11240	2.0
271.10721	2.6
272.09137	10.8
273.12296	2.1
285.08994	2.8
285.12085	2.3
287.10239	18.8
289.11719	3.1
291.14871	2.4
293.12799	1.8
297.12152	2.1
300.11133	3.8
301.11829	34.8
302.12292	1.7
305.08029	2.2
305.11386	6.2
307.12744	11.2
313.08215	3.6
315.09729	4.5
315.13367	2.5
317.15509	2.1
320.14447	2.1
328.14420	2.5
333.16147	3.0
335.14023	1.8
336.16028	2.3
337.15451	3.8
338.14920	2.2
351.16986	8.5
361.15433	10.1
363.17001	2.0
371.14093	2.5
376.16849	2.1
379.16608	11.7
380.15952	3.5
389.14911	9.2
390.14349	2.2
397.17639	7.5
398.16986	8.2
404.15973	4.9
406.17642	6.5
407.15982	17.0
408.19611	3.0
417.14359	4.7
424.18863	4.0
425.17072	30.4
426.17166	3.4
432.15564	8.2
434.17126	6.9
435.15439	55.5
436.16052	3.9
442.19550	4.5
450.16537	11.7
452.18188	31.4
453.16556	97.6
454.16763	9.0
460.15015	1.8
468.17767	8.1
470.19168	34.3
471.19632	3.5
478.16049	33.2
479.16284	5.2
496.17142	100.0
497.17331	7.5
541.24371	2.5
569.24097	3.5
571.25348	3.7
573.23352	7.0
587.24878	7.3
589.26526	5.1
597.23737	9.3
598.23895	1.9
605.26154	4.6
615.24506	39.5
616.24451	6.9
633.25476	53.2
634.26031	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	633.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.6
55.01873	1.9
55.05514	3.3
57.03447	3.3
57.07075	0.7
58.78460	0.5
59.05012	1.1
61.02925	0.7
67.05508	11.4
68.05841	0.6
69.03431	10.1
69.07068	3.8
69.26282	4.0
70.03754	0.5
71.05002	1.6
79.05500	7.2
80.05013	1.2
80.05807	0.7
81.03414	2.9
81.07072	5.5
83.01363	1.3
83.04977	4.2
83.08607	2.6
85.02914	2.4
85.06533	1.0
91.05481	6.7
92.05795	0.6
93.07050	6.8
95.04957	3.5
95.08605	3.2
97.02923	1.8
97.06538	9.0
97.10165	0.5
98.06055	1.2
99.04472	1.7
99.08116	0.5
105.07059	3.2
107.04951	0.9
107.08602	5.5
109.02864	0.9
109.06550	1.8
109.10155	7.9
111.04464	0.5
111.08102	0.5
111.33937	0.5
115.05453	0.8
117.07031	2.4
119.08570	4.2
121.06519	0.8
121.10163	2.6
123.08090	1.7
123.11677	0.8
125.09626	1.0
127.03890	1.0
128.06271	1.2
129.07028	1.2
129.73839	0.5
130.48978	0.6
131.08569	2.0
133.10170	1.3
135.08051	2.6
135.11682	3.0
136.08386	0.9
136.12054	0.8
137.05898	0.5
137.09622	1.2
141.07014	0.6
143.08620	1.0
143.22028	0.5
143.35400	0.5
145.10168	2.9
147.08067	1.1
147.11720	1.1
149.09665	1.2
151.07573	1.0
155.08575	0.6
155.10840	0.8
156.09483	0.6
157.10143	1.0
159.08069	1.0
159.11736	1.2
161.06006	1.8
161.09637	1.0
162.03247	0.8
163.03918	1.9
163.07603	0.7
163.11125	2.5
165.09122	1.6
167.10722	1.0
169.10167	0.7
171.08018	0.5
171.11760	1.2
173.09715	0.9
173.11777	2.3
175.07646	0.7
175.11227	0.6
181.06371	0.6
181.08578	0.6
181.12280	1.3
183.11818	0.8
185.09544	0.7
185.13322	0.7
187.07573	0.7
189.09036	1.1
191.03355	0.6
191.10684	0.8
194.11757	0.8
195.12070	0.7
197.13208	0.5
199.07515	1.0
199.11481	0.5
201.09099	0.6
201.12778	0.7
203.07079	0.6
207.13853	1.2
215.07048	0.8
217.08618	0.8
219.13794	0.6
221.15446	1.4
227.12808	0.7
229.12256	1.1
229.14355	7.0
241.08640	0.8
243.08414	0.6
255.12413	1.4
255.15921	2.3
256.12759	1.4
256.16309	1.2
257.08206	0.8
259.09680	0.9
277.10526	0.7
283.15408	7.2
283.17856	0.6
287.20065	0.9
311.12897	1.0
313.14383	1.1
331.15503	2.2
337.14413	0.7
347.41901	0.5
355.15311	2.5
356.15710	0.7
373.16476	9.7
374.17224	0.9
385.19516	0.7
408.26566	3.2
409.27390	3.4
415.20660	2.5
435.23917	2.0
436.23999	5.6
437.25351	9.4
437.30679	0.5
471.24194	2.9
517.20569	0.8
535.21747	0.8
540.19678	0.6
605.29529	1.4
633.28809	100.0
634.29224	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	633.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.3
55.01869	1.6
55.05505	2.8
57.03440	3.2
57.07072	0.5
59.04989	0.6
59.45576	0.4
61.02904	0.5
67.05505	4.4
69.03426	22.2
69.07064	3.1
71.01352	0.5
71.04981	1.2
71.30653	0.5
71.31049	0.5
73.02928	0.5
79.05489	6.4
80.05032	1.1
81.03411	6.2
81.07057	4.9
83.01330	0.4
83.04976	6.0
83.08619	1.4
85.02918	1.6
85.06541	1.2
91.03934	0.5
91.05490	4.1
92.61399	0.4
93.07045	4.4
95.04961	3.9
95.08619	1.8
97.02362	0.4
97.02853	2.2
97.06528	12.7
97.07142	0.7
98.06070	0.5
99.04452	2.5
101.06060	0.7
103.93775	0.5
105.07023	3.2
107.04974	1.1
107.08586	2.7
109.02906	0.8
109.06529	1.2
109.10176	1.8
111.04466	0.8
111.08060	0.7
117.03451	0.4
117.06978	0.8
119.08586	3.2
121.06503	0.5
121.10181	1.8
123.04490	0.6
123.08064	1.1
123.11725	0.7
125.06023	0.5
125.09667	0.8
127.03942	1.1
129.07016	1.7
131.08578	1.6
132.39995	0.4
133.06526	0.5
133.10175	1.2
135.04449	1.3
135.08087	1.9
135.11722	1.2
141.07007	0.8
143.08553	1.2
145.02846	0.5
145.06454	0.7
145.10164	1.3
147.08119	1.1
147.11728	1.3
149.05972	0.5
151.07558	0.9
155.08536	0.8
157.06529	0.6
157.10158	1.4
159.04546	0.5
159.08121	0.6
161.02242	0.7
161.05981	1.7
162.03203	0.6
163.03911	6.3
163.07620	0.5
163.11243	1.1
165.09105	1.0
167.08612	0.7
167.10751	1.2
169.10068	0.6
171.08112	1.3
173.02359	0.8
173.06006	0.5
173.09764	0.5
173.11827	0.5
175.07587	1.0
175.11273	0.6
176.12015	0.8
177.09109	0.4
177.12836	0.5
181.12222	0.5
185.04306	0.5
185.06042	0.8
185.09663	1.2
187.03918	1.2
187.07607	1.3
189.09178	1.2
191.07098	0.8
193.12404	1.1
195.08159	0.9
195.12141	0.5
199.03934	0.7
199.07613	1.7
199.11319	0.5
201.05453	0.7
203.10638	0.5
209.11739	0.6
211.07408	0.5
211.13182	0.5
213.05574	1.7
213.09090	1.0
215.07103	1.3
217.05052	0.6
217.08662	1.3
221.15596	0.8
225.09190	0.5
227.12730	2.8
228.13174	1.1
229.08640	0.6
229.14355	1.7
231.06554	0.5
231.09962	0.5
233.15311	0.7
239.07152	0.6
240.07761	0.6
241.08675	1.2
241.12172	0.5
243.08411	1.0
255.16000	0.7
259.09674	0.9
277.10696	0.7
283.15625	2.1
284.15817	0.4
287.12790	0.9
299.12949	0.5
311.12854	1.8
313.14468	1.5
327.12244	0.6
327.15863	1.0
329.13693	0.9
331.15482	2.9
337.14267	6.6
338.14807	0.9
355.15356	6.7
356.15912	0.8
373.16452	15.3
374.16864	1.8
415.20822	2.6
419.93652	0.5
436.24207	1.4
437.25229	4.4
443.23669	0.5
471.23859	2.6
517.21063	0.8
605.29175	1.3
633.28778	100.0
634.29034	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	633.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.2
55.05487	5.7
57.07063	3.8
65.03935	2.5
65.13816	1.7
67.05503	11.6
68.05793	1.8
69.03399	3.8
69.07068	3.1
71.04983	1.6
71.29274	1.9
79.05493	11.4
79.98307	1.8
81.03395	1.5
81.07050	9.9
83.04961	4.2
83.08609	3.2
85.02880	1.7
85.06553	3.3
86.09708	1.8
91.05479	11.9
92.84990	1.8
93.07037	16.7
95.04975	10.3
95.08611	11.4
97.06512	3.9
99.08055	2.2
105.07030	15.2
106.07359	2.0
107.04933	2.0
107.08575	13.2
109.06490	5.9
109.10110	7.1
111.07999	2.0
117.06988	4.6
119.08585	15.0
121.06485	4.3
121.10134	10.8
123.08045	7.0
125.05954	3.0
125.09590	2.9
127.11207	2.2
129.06976	2.6
131.08600	10.9
132.08841	2.0
133.06465	2.0
133.10124	8.7
135.08043	5.8
135.11642	3.2
137.09621	3.4
143.08530	5.7
145.06496	2.4
145.10091	10.7
147.08064	4.4
147.36035	1.8
149.09604	2.2
151.07507	7.8
155.08549	2.0
155.10658	4.2
157.10088	6.6
159.07996	3.8
159.11674	7.3
161.09590	4.3
161.13210	3.0
163.11153	5.7
165.09073	5.0
167.10600	4.2
169.10056	4.2
171.11650	3.6
173.09575	3.1
173.13229	4.3
175.11102	3.4
175.14745	2.3
177.09106	2.2
179.08429	2.4
181.10226	1.6
181.12167	5.3
183.11678	4.2
184.07314	3.6
185.13254	4.3
187.11285	2.2
189.12691	2.7
195.11633	2.8
196.12387	2.3
197.13229	3.6
199.11127	2.5
203.14171	2.6
207.13840	3.0
213.12746	2.2
221.15353	13.9
225.12617	2.1
225.16409	3.4
253.15898	2.4
286.19147	6.1
393.24121	1.8
506.50046	2.3
615.41119	3.3
633.33496	100.0
634.34125	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
55.01869	2.9
55.05508	5.7
57.07067	3.0
64.09487	2.1
67.05511	18.1
69.03436	12.7
69.07053	7.0
69.14228	17.6
71.04999	28.1
71.18027	2.3
73.06520	2.8
79.05494	14.3
81.03436	3.2
81.07054	21.1
83.04961	7.8
83.08601	6.4
85.06519	6.2
91.05476	19.2
93.07051	26.8
95.04970	16.5
95.08604	18.9
97.06516	7.9
97.10159	3.5
99.08080	10.3
105.07041	27.9
107.08597	24.8
109.06506	8.4
109.10156	24.4
110.10436	2.4
111.08098	15.9
113.09663	4.6
115.05444	3.1
117.06989	6.0
119.08578	26.4
121.06494	4.1
121.10133	18.3
123.08088	12.2
124.11875	2.4
125.09626	24.3
126.49567	2.5
127.07502	3.2
127.11193	47.5
128.06204	2.4
129.07022	6.1
131.08565	15.7
133.10124	17.4
135.08047	8.0
135.11667	6.7
137.09619	10.0
139.11166	6.8
141.06978	3.1
142.07799	3.9
143.08591	12.1
143.10719	6.4
145.10117	19.0
147.08026	6.7
147.11671	9.4
149.09602	5.7
151.07545	6.5
151.11163	5.1
153.12706	2.5
155.08514	5.9
155.10680	83.1
156.09343	7.0
157.10115	20.3
159.11720	16.9
161.09573	5.8
163.11182	9.1
164.44113	2.1
165.09059	5.8
165.12770	2.4
167.10680	6.0
169.10081	9.6
170.10818	3.9
171.11658	10.7
173.09605	5.5
173.13222	9.7
175.11168	5.0
175.14793	2.7
180.09297	3.2
181.09933	4.1
181.12216	6.9
182.10905	3.3
183.11693	10.0
183.13823	5.4
185.09676	3.5
185.13251	9.7
187.11115	3.0
187.14748	2.5
189.12776	4.5
191.14322	4.3
192.09166	2.4
193.15895	4.1
195.11659	7.0
197.13260	16.4
199.11147	3.1
199.14844	5.4
201.12813	4.5
203.14308	3.2
207.11720	2.8
207.13818	5.6
209.13249	6.4
209.15363	7.2
211.14842	10.3
211.16792	4.2
213.12808	4.5
215.14253	4.7
221.15358	15.6
223.14888	3.6
225.16377	5.9
228.02792	2.4
229.15982	2.8
233.15317	3.5
235.14890	3.3
235.17268	2.3
255.17580	2.4
265.19516	7.7
281.19022	3.6
283.20520	14.7
286.19128	4.8
291.49622	2.5
297.22128	3.8
301.21509	2.5
303.19363	2.8
313.21674	2.6
319.13293	2.3
343.22736	14.3
349.25034	3.4
357.24057	4.6
434.61627	2.3
435.32684	11.2
453.33694	18.1
454.33896	2.6
495.34543	6.3
513.35541	14.4
597.38000	3.2
615.27454	4.5
633.33594	100.0
634.34143	18.1
652.23224	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	633.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20522	3.2
53.03952	8.5
55.01882	4.0
55.05510	26.3
57.07081	10.5
62.06215	3.1
65.03951	7.9
66.44970	3.1
67.05500	41.4
67.05782	3.6
69.03429	16.7
69.06752	5.0
69.07064	25.0
70.43935	8.5
71.05006	5.0
79.05492	39.9
80.48743	2.9
81.07056	53.2
82.07406	3.7
83.04967	25.5
83.08636	15.9
85.02941	3.3
85.06549	6.6
91.05482	66.1
91.06002	4.9
93.07043	89.2
95.04966	39.8
95.08607	54.4
96.08914	4.7
97.06557	15.5
97.10201	5.8
103.05504	5.0
105.07023	93.1
107.04971	10.9
107.08591	66.3
107.09284	4.5
109.06516	36.4
109.10155	34.0
111.04438	3.6
111.08130	4.2
115.05490	9.6
116.06249	4.1
117.07011	24.9
119.08575	79.8
121.06480	17.3
121.10141	100.0
121.11008	4.9
122.10456	4.4
123.08059	29.8
123.11721	13.8
125.06037	15.1
125.09613	9.4
128.06277	13.6
129.06995	19.1
129.23759	3.3
130.07840	9.3
131.08566	42.0
133.06503	8.4
133.10130	53.6
135.08041	26.6
135.11720	14.1
137.09673	13.7
139.11201	9.7
141.07050	9.5
142.07813	12.8
143.08557	48.4
144.09351	6.5
145.06541	6.2
145.10126	65.2
147.08070	25.5
147.11684	20.6
149.09618	30.0
149.13257	4.3
151.07547	30.5
151.11142	8.4
153.06978	4.4
153.09105	3.6
154.07863	5.1
155.08545	22.3
156.09366	17.4
157.10133	46.1
159.08092	14.9
159.11685	32.7
161.09616	23.6
161.13278	9.7
163.07576	4.1
163.11192	26.1
165.07043	15.4
165.09167	15.2
166.07784	5.2
167.08563	12.9
167.10674	87.2
168.09372	10.5
169.10121	32.8
170.10970	8.8
171.11656	31.7
172.12479	6.3
173.09607	20.9
173.13274	25.2
174.10220	5.3
175.11270	15.5
175.14841	8.5
177.09135	8.5
177.12796	7.8
179.08615	10.8
180.09309	6.8
181.10091	29.5
181.12222	24.5
182.10985	8.8
183.08064	5.9
183.11671	21.5
184.08699	5.4
184.12349	4.2
185.09660	14.2
185.13275	24.8
186.10307	3.5
187.11224	11.9
187.14903	16.1
189.12717	20.8
191.10884	5.3
191.14366	6.4
192.09329	7.0
193.10083	24.7
194.10963	12.0
195.11697	28.7
196.12405	8.1
197.09627	7.7
197.13168	21.8
199.11301	10.5
199.14818	8.4
201.12839	11.6
201.94907	4.1
203.08736	4.3
203.14354	16.3
205.10146	5.0
205.15834	3.9
206.10866	8.1
207.11766	21.1
207.13855	12.1
208.12376	5.9
209.09587	5.6
209.13353	22.3
211.11250	12.5
211.14807	19.7
213.12770	15.7
213.16441	6.9
215.14325	19.1
217.10115	6.5
217.15990	4.0
218.10971	5.6
219.11732	12.8
220.12560	6.6
221.13268	15.2
221.15433	31.5
223.11331	9.1
223.14929	19.4
225.12805	11.9
225.16388	8.0
227.14273	5.2
229.10178	5.0
229.12257	4.8
229.15945	7.0
230.10942	5.4
231.11740	12.1
232.12320	4.9
233.13268	9.9
233.15327	55.6
234.13878	5.8
234.16025	3.9
235.14857	12.2
236.15488	5.1
237.12790	9.6
237.16502	9.6
239.14395	9.6
239.17982	4.0
244.12415	7.0
245.13341	12.3
247.14815	9.5
247.17126	11.8
249.12714	5.7
249.16431	8.1
251.14249	8.8
251.18071	4.9
253.15964	4.4
259.14822	7.3
260.15601	5.7
261.16455	7.7
265.15973	5.9
267.17535	5.8
269.19104	4.5
271.14713	4.6
271.17252	7.1
273.18820	6.8
275.17615	3.9
277.15738	4.7
279.17502	6.7
281.19092	10.8
283.14990	4.8
285.18457	4.8
286.19391	17.5
287.20242	6.5
293.18921	4.7
299.20251	8.6
301.19513	3.7
303.17303	3.9
311.20071	15.4
359.23831	9.8
375.23032	4.7
377.24661	9.1
415.26126	6.6
579.38489	9.7
597.39331	21.9
615.40466	27.2
616.41516	5.6
633.34729	15.0
633.41266	42.7
634.41937	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	634.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95310	0.7
53.03959	1.7
55.01868	5.3
55.05514	13.1
57.03434	16.2
57.07064	1.2
59.05004	6.0
61.02922	4.5
62.77745	0.8
65.03934	2.7
67.05505	72.5
68.05816	1.6
69.03423	2.8
69.07066	4.5
69.88352	1.5
69.88718	2.6
71.01365	1.2
71.04979	4.7
73.02912	1.8
79.05492	12.8
81.03423	10.8
81.06579	1.4
81.07056	19.7
81.07529	1.4
83.01345	6.6
83.04974	8.2
83.08620	12.3
84.54586	0.7
85.02914	7.3
85.06529	3.7
90.75056	0.7
91.03958	2.7
91.05479	13.1
93.07042	18.8
95.04958	4.2
95.08607	9.6
97.02895	3.6
97.06530	3.6
97.10174	1.5
99.04462	2.3
105.07040	5.3
107.04965	5.9
107.08592	10.1
107.62191	0.7
109.02881	1.0
109.06502	5.4
109.10152	69.5
110.10490	1.9
111.04430	2.4
111.08059	3.8
114.57980	0.7
117.07024	3.8
119.08572	10.3
121.06517	2.3
121.10159	5.7
123.08068	6.2
125.05984	1.3
125.09628	1.3
126.88630	0.9
127.03938	1.4
130.07796	1.0
131.08583	2.2
133.10150	1.8
135.08038	1.8
135.11702	9.0
137.09618	4.8
145.10126	11.0
147.08035	1.6
149.76353	0.9
153.12737	2.5
155.08646	1.1
155.10675	4.6
157.35475	0.7
163.11185	18.3
164.11618	1.4
164.68704	0.7
173.09601	1.8
173.11745	20.0
174.12180	1.0
180.10284	0.9
181.12227	2.9
191.10683	2.2
209.11734	5.8
227.12866	2.9
229.14346	89.4
230.14613	4.5
268.42737	0.8
283.15396	83.4
284.15710	5.2
398.38385	0.9
412.24490	0.8
419.24283	0.9
437.25323	100.0
438.25690	11.0
577.07111	0.9
635.29950	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	634.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62886	0.8
53.03923	1.3
55.01875	5.4
55.05272	1.2
55.05511	13.3
57.03436	12.7
57.07069	2.5
59.05008	6.5
61.02925	7.3
65.03928	1.7
65.15168	0.7
67.05505	78.8
68.05836	1.8
69.03445	3.6
69.07056	3.3
69.87333	3.5
71.01344	1.1
71.04996	4.6
73.02908	0.7
76.71053	0.7
77.10194	0.8
79.05492	13.5
80.05004	1.0
81.03421	9.0
81.06586	1.5
81.07056	20.4
83.01340	5.4
83.04977	11.9
83.08620	11.3
85.02911	8.2
85.06526	3.9
91.03956	2.3
91.05470	11.7
93.07044	18.4
95.04971	5.3
95.08606	11.8
97.02890	4.6
97.06525	6.6
97.10169	1.1
99.04453	2.2
99.08077	0.9
105.07020	6.7
106.22401	0.7
107.04957	5.2
107.08594	9.7
108.05338	0.8
109.02902	1.7
109.06502	4.5
109.10155	72.9
110.10494	2.3
111.04418	2.0
111.08076	4.5
117.07033	5.1
119.08578	11.9
121.06509	3.0
121.10127	5.9
123.08096	6.1
125.05947	1.8
125.09629	0.8
127.03915	1.4
129.06979	1.7
130.07761	1.4
131.08539	2.2
133.10126	1.3
135.11667	7.7
137.09587	4.7
139.07497	0.9
143.08502	1.5
145.06465	1.2
145.10110	10.2
147.08084	1.8
153.12764	1.5
155.08661	0.8
155.10677	5.8
163.11185	18.2
164.11557	1.1
173.09647	2.2
173.11728	20.1
179.16512	0.8
180.10190	3.0
181.12311	2.4
181.16220	0.7
191.10654	2.7
208.58940	0.7
209.11690	5.2
211.13245	0.9
227.12846	3.4
229.14345	93.2
230.14589	4.4
283.15393	89.8
284.15747	4.8
355.15256	1.6
437.25339	100.0
438.25677	10.9
498.26886	1.0
634.29059	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
65.78806	0.8
74.47316	1.0
80.05045	0.8
91.05481	1.6
93.07030	2.4
94.06558	2.3
95.07345	2.8
96.08141	4.8
107.07349	1.3
108.05598	1.1
108.08127	4.9
110.09689	9.6
120.08098	7.2
122.06038	2.9
122.09656	2.9
131.07306	3.7
136.07567	3.5
138.09137	35.1
146.09645	7.4
150.09100	3.1
160.13869	0.9
164.07063	3.6
166.08604	2.6
168.10158	1.2
174.09183	6.0
177.06522	2.0
181.09760	2.0
187.67535	0.9
189.10255	1.1
191.08144	1.9
192.10243	2.4
201.06584	2.8
202.07187	7.6
211.08595	1.2
212.09560	1.0
213.10242	2.5
217.09729	7.8
220.09686	16.1
230.08145	1.3
233.09207	4.7
235.10802	1.1
241.09656	1.5
245.09196	1.1
248.09291	1.5
250.43251	1.1
257.09210	18.5
259.10834	2.8
261.08704	100.0
262.09033	3.7
285.08698	24.4
285.11844	1.4
286.09027	1.6
287.10309	4.6
302.12952	1.6
305.11322	1.7
307.12900	1.9
313.08203	17.1
314.08493	0.9
329.15176	1.2
331.05444	1.9
331.09219	23.3
347.16199	1.2
360.13629	1.1
361.14059	2.9
362.14807	1.4
374.14816	2.2
376.16742	1.5
388.16571	1.4
398.17111	17.5
406.17621	20.0
408.19119	2.0
422.17099	1.3
434.16983	8.8
444.21155	1.2
452.18271	7.1
454.19604	3.1
468.17599	14.6
469.18161	1.4
470.19354	4.8
472.20416	1.7
480.17657	48.0
481.18027	5.1
498.18683	5.7
571.24994	1.9
589.26550	10.1
590.26764	1.8
617.26062	50.3
618.26349	8.4
635.27100	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	635.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01859	0.5
67.05495	1.1
69.67805	0.5
70.87833	0.6
71.02470	1.3
79.05486	2.1
80.05024	1.2
81.05823	0.8
82.06577	1.7
91.05486	3.1
93.05740	0.6
93.07040	5.9
94.06563	7.8
95.04985	1.2
95.07352	8.4
95.08585	0.6
96.08131	14.0
96.45139	0.5
97.06533	1.3
103.05485	1.4
105.05836	0.5
106.06549	1.6
107.07346	3.1
108.08124	11.0
109.08910	1.2
110.06041	0.6
110.09682	23.3
111.10005	0.7
113.20600	0.5
118.06525	0.6
118.32294	0.6
120.08109	21.8
121.06492	1.2
121.08888	1.7
122.06017	6.9
122.09673	4.9
123.06853	1.0
124.07598	1.5
131.07347	2.9
134.09624	0.7
136.07579	7.0
138.09137	100.0
139.09515	2.9
140.07043	1.5
140.10712	0.6
146.05984	0.6
146.09608	3.6
147.04382	0.8
148.07553	1.5
149.07152	0.7
150.09145	9.5
160.07526	1.0
162.05397	0.9
164.07059	11.2
166.08617	5.1
174.09137	6.5
177.06598	3.2
181.09715	10.0
187.08600	0.7
188.07065	1.9
189.10204	0.6
191.08141	7.8
192.10162	1.2
201.06650	1.2
202.07271	1.8
202.08864	5.0
203.04395	0.6
203.08150	3.5
204.06570	1.4
206.08099	0.5
215.08182	0.6
216.10278	0.7
217.09666	3.7
219.11324	0.8
220.09720	6.0
229.06075	1.3
229.09631	0.7
230.08159	4.7
233.09329	0.8
235.10797	1.6
241.09831	0.7
244.09778	1.5
245.09201	4.0
247.10698	1.4
248.09163	3.6
257.09167	2.4
259.10733	1.8
261.08704	34.0
262.09048	1.9
263.10181	4.2
265.11853	1.0
269.09232	0.6
271.07083	1.1
271.10794	0.7
272.09207	2.9
273.08627	0.6
285.08661	3.2
287.10312	5.2
289.11798	1.3
290.10266	1.4
305.08017	0.9
305.11288	3.5
307.12799	5.5
313.08087	3.9
326.15002	0.6
331.09265	5.3
333.10791	1.5
340.12967	0.5
344.13705	0.6
366.14099	0.6
374.14987	1.0
380.15894	1.1
398.17123	9.1
406.17636	2.9
407.17880	0.6
424.18652	1.2
426.20203	2.3
434.17200	3.9
435.16516	0.6
444.21222	2.5
452.18088	6.2
454.19760	5.9
468.17575	3.2
470.12808	1.0
470.19232	14.7
471.19608	1.4
472.20764	3.3
480.10718	0.7
480.17633	13.0
481.17831	1.1
498.18781	2.0
508.22736	0.6
543.26385	2.5
571.25574	2.7
589.26721	8.9
590.26904	1.3
599.24823	1.8
607.27448	1.8
617.26019	10.7
618.25586	1.2
635.26794	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	635.271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.6
67.05494	1.8
69.75423	0.6
69.99043	2.3
71.02460	0.8
79.05493	2.9
80.05022	1.7
81.05797	1.1
82.06583	1.3
91.05488	2.9
93.05777	1.0
93.07046	7.5
94.06571	9.7
95.04974	1.4
95.07355	8.5
95.08626	0.8
96.07552	1.0
96.08136	14.9
97.06532	2.0
98.06033	1.4
98.21404	0.6
98.23266	0.9
103.05480	1.0
106.06544	1.9
107.07341	2.6
108.04522	0.6
108.08121	12.3
109.08879	1.5
110.09684	26.9
111.10046	1.0
112.92413	0.7
118.06553	1.1
119.04979	0.8
120.08110	25.7
121.06522	1.0
121.08984	1.0
122.06024	7.5
122.09681	3.4
123.06797	1.3
124.07580	1.4
131.07285	1.6
136.07599	7.1
138.09143	100.0
139.09500	3.2
140.07013	0.9
140.10728	1.2
146.05962	0.6
146.09689	2.8
147.04362	0.6
148.07579	1.6
149.07159	1.0
150.09145	3.4
160.07530	0.8
163.08516	0.6
163.87566	0.6
164.07059	11.7
166.08655	5.2
174.09174	5.5
177.06578	3.6
180.50041	0.5
181.09735	7.7
188.07141	1.4
191.08168	7.2
192.10239	1.2
201.06628	0.9
202.08771	8.0
203.08136	3.7
204.06584	1.9
205.09688	0.8
206.08110	0.9
216.10258	0.6
217.09723	3.4
219.11346	0.6
220.09674	3.6
229.06047	1.8
230.08168	4.2
231.07750	1.0
231.11218	0.7
233.09337	1.2
235.10902	1.4
243.07497	0.6
243.11316	0.9
244.09634	1.0
245.09138	3.5
246.07594	0.7
247.10645	1.0
248.09135	2.6
257.09174	1.3
259.10791	1.6
261.08725	19.6
262.08908	1.2
263.10315	3.6
265.11838	0.8
271.07306	0.7
271.10767	0.6
272.09116	1.8
285.08774	1.7
287.10315	4.0
289.11713	1.0
305.11322	3.9
307.12946	6.9
313.08258	1.5
321.61996	0.7
331.09198	2.2
331.12875	0.7
333.10712	1.4
338.94254	0.6
340.12949	0.6
350.15631	0.6
361.14255	0.8
378.18100	0.7
398.17203	5.6
406.17627	2.7
424.18784	1.3
426.20285	1.6
434.17316	2.7
444.21460	3.4
450.16574	0.7
452.18121	4.1
454.19705	5.2
468.17429	0.7
470.19180	12.6
471.19061	1.2
472.20636	3.8
480.17609	6.6
481.18152	0.9
498.18503	1.6
517.14294	0.7
543.25739	1.7
553.24774	1.1
571.25458	2.6
589.26575	9.3
590.27338	0.9
599.24933	0.7
607.27460	2.4
617.26007	9.2
618.26129	1.1
635.27130	3.3
658.34442	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35446	0.6
53.03942	1.0
54.33686	0.5
58.78513	0.5
59.61956	0.5
65.03939	0.5
67.05502	1.3
69.07058	0.6
69.81987	2.1
71.02482	1.3
76.37337	0.5
79.05499	2.6
80.05014	1.5
81.05762	1.1
82.06580	1.7
91.05489	4.1
93.07053	5.6
94.06025	0.7
94.06573	9.0
95.04993	1.1
95.07346	7.1
96.08135	14.3
96.08762	0.7
97.06546	1.4
103.05470	1.2
105.05779	0.6
106.06570	1.4
107.07339	3.0
108.08125	11.9
109.08903	1.4
110.09685	26.6
118.06520	0.8
119.04939	0.6
120.08109	25.4
121.06514	1.0
121.08881	1.8
122.06028	8.2
122.09669	3.8
123.06821	1.5
124.07568	1.6
131.07321	1.2
136.07584	7.1
138.09140	100.0
139.09445	2.7
140.07060	1.0
140.10728	1.0
140.74008	0.5
146.09636	1.7
148.07556	1.5
150.09154	1.7
152.07030	0.8
158.08121	0.5
164.07074	12.7
166.08656	6.1
174.09166	4.8
177.06543	4.0
178.08609	0.7
179.08031	0.5
181.09737	9.0
186.05394	0.6
188.07103	2.6
191.06537	0.9
191.08138	7.5
192.10210	1.4
202.08749	5.6
203.04495	0.6
203.08151	3.5
204.06561	1.4
205.09827	0.8
206.08191	0.7
216.10228	0.7
217.09749	3.3
219.11360	1.5
220.09694	3.1
229.06067	1.3
230.08138	5.5
231.07726	0.8
233.09128	0.9
235.10831	1.2
243.11188	1.2
244.09793	1.1
245.09239	3.1
247.10875	0.8
248.09227	3.8
248.66394	0.5
253.11905	0.7
257.09207	0.9
259.10681	0.8
261.08707	11.4
263.10315	4.2
265.11884	0.9
271.07150	0.8
272.09155	2.3
285.08826	0.9
287.10391	4.1
288.08664	1.1
290.10138	1.3
305.11417	3.7
307.12848	5.8
313.08066	0.8
319.17010	0.6
321.14279	0.7
333.10748	1.5
378.18115	0.6
380.16345	0.8
381.16730	0.6
398.17029	4.7
406.17572	1.6
424.18796	0.9
426.20212	1.7
434.17188	2.3
441.22974	0.6
444.21411	3.8
452.18149	5.1
454.19641	4.4
468.18045	0.9
470.19211	13.3
471.19702	1.1
472.20847	4.3
480.17548	5.4
498.18530	1.9
535.38690	0.6
543.26050	2.1
571.25269	3.1
589.26563	9.4
590.26776	1.4
599.25116	1.4
607.27521	3.0
617.26031	8.5
618.26306	0.7
635.27252	2.9
635.37787	0.8
636.11737	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2707
Annotation	3-Hydroxyethylbacteriochlorophyllide a
Peak:m/z	Relative Intensity
60.20032	0.3
70.62186	0.6
70.62536	0.5
79.05465	0.3
91.05485	0.7
93.07078	0.5
94.06569	0.8
95.85440	0.4
98.22702	0.4
106.06570	0.4
108.08114	1.2
110.09660	0.9
120.08118	0.8
121.08891	0.3
122.06049	0.7
122.09637	1.5
131.07324	2.6
136.07591	1.1
136.11223	0.8
138.09135	3.4
140.10713	0.5
143.69969	0.4
146.09644	5.0
150.09166	0.6
164.07069	1.1
164.10670	0.7
168.10265	0.4
174.07971	0.4
174.09157	4.0
184.06296	0.4
187.08701	0.5
188.05782	0.4
189.10162	0.8
192.10129	0.8
195.74278	0.3
197.07045	0.5
197.24164	0.3
200.09409	1.1
200.74762	0.4
201.06598	3.1
202.07332	9.9
202.09116	0.5
203.08109	0.5
210.77498	0.3
211.08673	1.1
212.09425	0.7
213.10179	1.4
215.08107	1.4
217.09714	10.2
218.10031	0.5
220.09680	11.8
221.09880	0.4
227.08119	0.4
229.09808	0.5
233.09207	5.5
235.10739	2.2
239.08185	0.7
241.09839	0.7
245.09128	0.5
249.59927	0.4
257.09204	14.4
258.09970	0.6
259.10867	1.9
261.08698	100.0
262.09045	5.8
273.12323	0.7
285.08710	19.1
285.12158	1.1
286.09167	0.9
287.10345	2.5
302.12958	1.8
303.10165	0.3
305.11142	0.7
313.08173	12.7
314.08603	1.1
329.15305	0.7
331.09213	15.6
331.13235	0.7
332.09650	0.8
333.10764	0.4
347.16119	0.4
360.13278	1.0
361.14267	2.5
362.14667	0.4
374.14993	1.0
375.15622	0.6
380.19717	0.6
388.16476	0.5
390.18234	0.6
398.17102	27.3
399.17401	2.7
406.12213	0.6
406.17590	12.4
407.17795	1.1
408.19321	2.0
416.15686	0.6
418.17471	0.5
426.20102	0.5
434.17191	3.9
436.18765	0.5
452.18127	4.4
453.18713	0.5
454.19839	1.6
463.04282	0.4
468.17627	11.6
469.17993	1.3
470.19180	0.4
472.20673	0.6
480.17657	25.2
481.18091	3.4
482.19107	1.0
498.18433	0.9
589.26599	5.6
590.26703	1.1
617.26025	35.4
618.26379	5.7
635.27527	1.8
649.95203	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82088	0.5
53.03942	1.0
55.01855	0.7
67.05489	1.8
69.03420	0.6
70.63229	0.9
71.02477	0.8
71.22708	0.6
79.05500	1.8
80.05006	1.6
81.03427	0.6
81.05792	1.3
82.06581	1.4
91.05470	2.8
93.05783	0.8
93.07049	6.3
94.06568	8.9
95.04979	0.9
95.07355	8.1
95.08607	0.6
96.07560	0.9
96.08136	15.3
97.06520	2.1
98.06040	0.8
103.05471	1.4
105.05773	0.5
106.06555	1.4
107.07341	3.1
108.08116	11.6
109.08934	1.0
110.09685	26.2
111.10009	0.8
119.04940	0.6
120.08107	22.5
121.06477	1.0
121.08872	2.1
122.06036	7.1
122.09664	6.6
123.06875	1.2
124.07584	1.3
131.07310	2.9
132.08060	0.9
134.09692	1.1
136.07574	7.1
138.09137	100.0
139.09465	3.5
140.07019	1.1
140.10706	1.2
146.09639	4.9
147.04401	1.0
148.07597	1.2
149.07109	0.8
150.09142	12.0
152.07056	0.5
160.07568	1.2
164.07068	12.3
165.07448	0.7
166.08630	6.4
168.10266	0.7
174.09151	8.2
177.06593	4.5
181.09715	9.4
188.07092	1.7
189.10300	0.7
191.08150	8.4
192.08592	0.6
192.10208	2.2
201.06654	1.4
202.07272	2.3
202.08858	6.4
203.08107	2.5
204.06564	1.7
206.08130	0.6
213.10236	0.7
216.10109	0.8
217.09740	5.1
219.11301	0.9
220.09633	5.6
225.10240	0.6
227.08099	0.8
229.06090	0.9
229.09680	0.5
230.08122	6.3
231.07661	0.7
233.09189	1.4
235.10849	2.3
237.69630	0.5
243.07625	0.7
243.11371	1.4
244.09752	1.1
245.09221	3.1
246.07669	0.7
247.10844	1.0
248.09181	3.1
257.09177	3.5
259.10773	2.5
259.13531	0.5
259.14127	0.5
261.08704	42.8
262.09042	2.1
263.10199	3.3
265.11871	1.1
271.10620	0.7
272.09177	2.9
273.08923	0.7
285.08673	3.9
285.11969	1.0
285.15680	0.5
287.10263	7.0
288.08456	0.8
289.11795	1.4
290.10379	0.9
299.10135	0.8
302.12695	0.6
305.11197	3.5
307.12915	6.2
308.13376	0.6
313.08182	4.6
316.14404	0.9
326.14880	0.8
331.09256	7.8
333.10715	1.8
361.14325	0.9
374.14944	0.6
378.17969	0.6
398.17081	9.4
406.17548	4.1
407.17264	0.7
416.16092	0.6
424.18567	1.5
426.20560	1.1
434.17218	5.1
444.21207	2.9
452.18213	5.8
453.17850	0.8
454.19788	4.8
455.19400	0.6
468.17642	4.4
470.19229	14.7
471.19397	2.2
472.20624	4.1
480.17645	17.1
481.17978	2.6
498.18643	1.8
528.15381	0.5
543.26093	2.3
571.25531	2.4
589.26611	11.0
590.26630	1.7
599.24677	1.6
607.27655	2.3
608.28003	0.6
617.15704	0.9
617.25958	17.7
618.26086	2.7
635.27374	3.0
654.27997	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.5
57.07074	1.5
67.05492	2.6
69.07079	2.4
69.36602	5.7
69.37019	2.1
71.08644	1.6
79.05500	3.3
81.07069	3.3
82.54606	1.0
83.04984	1.5
91.05515	1.3
93.07070	1.7
95.08622	3.1
105.07041	1.6
107.08623	2.2
119.08578	1.8
121.10210	1.3
145.10159	1.1
148.11253	1.1
161.09734	1.1
183.06967	1.2
203.92543	1.2
270.54694	1.2
301.63113	1.1
389.17804	2.2
402.18564	1.8
403.19147	4.8
404.20084	2.0
405.20840	1.7
416.20148	2.5
417.21255	5.3
418.21521	2.8
419.22437	3.7
429.17007	2.5
430.17789	3.1
431.17947	6.8
432.18823	1.5
432.23584	1.4
433.24103	6.7
443.18646	2.8
444.19067	2.3
445.20071	13.2
446.20511	5.6
447.21902	4.9
448.26013	1.2
457.20422	1.6
458.20978	1.6
459.21802	8.5
460.22720	12.4
461.23413	8.6
462.24164	1.5
475.21439	1.6
505.22147	2.3
517.22644	1.7
519.23828	4.1
531.24084	3.2
537.38068	5.4
546.26630	2.7
547.27063	16.3
548.27362	2.6
575.25568	2.0
577.24420	4.3
591.25964	3.8
605.28992	1.3
606.28241	18.0
607.29053	38.0
608.29565	4.2
635.28632	100.0
636.28949	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	636.387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46084	2.5
55.01868	7.0
55.05518	16.6
57.07083	23.7
67.05510	19.1
69.07071	14.2
69.80697	5.8
69.81100	10.2
71.08639	18.8
79.05495	17.2
81.03391	3.8
81.07066	21.4
83.01380	3.5
83.04977	7.3
83.08611	9.3
85.10184	10.5
91.05476	13.0
93.07043	13.2
95.04992	3.8
95.08620	16.2
96.93645	3.2
97.10147	4.3
98.22697	3.5
98.98479	7.0
105.07029	13.5
107.04991	4.8
107.08604	7.7
109.06529	3.5
109.10155	7.4
117.07006	8.1
119.08588	9.1
121.10127	5.0
123.08096	5.3
129.06985	3.9
131.08577	6.8
135.11674	5.0
143.08589	3.6
145.10127	6.8
155.01086	7.3
163.11200	8.8
179.14221	4.7
186.84413	2.7
191.10704	4.0
283.15302	4.4
296.42938	3.0
369.10770	5.1
521.38416	100.0
522.38428	15.4
605.24170	5.4
636.45923	3.6
637.29468	9.7
650.57123	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	636.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.4
55.01880	11.5
55.05516	24.2
57.03447	12.9
57.07088	4.6
59.05008	2.0
65.03945	2.7
67.05510	30.7
69.07069	10.3
71.01364	2.0
71.04997	9.0
71.08641	13.8
79.05498	42.6
80.23064	1.6
81.03423	15.1
81.07053	26.1
83.01343	10.2
83.04974	16.6
83.08628	13.4
85.02910	3.7
85.06552	3.1
91.05484	51.1
93.07043	38.0
95.04980	12.6
95.08609	15.2
97.02911	3.3
97.06548	12.1
97.10210	2.3
99.04490	2.6
99.08093	11.4
103.05492	3.7
105.04530	1.6
105.07044	25.1
107.04949	12.4
107.08583	20.6
109.06519	7.0
109.10172	3.3
111.04460	1.7
111.08100	3.6
115.05459	6.2
117.07021	37.2
119.08585	20.0
121.06522	7.4
121.10150	11.7
123.08071	9.0
125.05956	2.3
128.06242	5.6
129.05531	2.7
129.07014	23.6
130.07800	2.2
131.08583	20.1
133.06529	2.3
133.10138	6.7
135.08080	12.8
135.11699	14.4
137.09627	3.1
139.11195	6.8
141.06993	13.0
141.12744	5.5
142.07802	3.9
143.08537	15.8
145.06436	2.5
145.10117	27.0
146.10432	2.3
147.08089	7.2
149.09657	3.9
151.11304	1.9
153.06929	2.7
153.12787	4.6
154.07848	1.9
155.08553	15.0
157.10162	13.1
159.08148	2.1
159.11708	6.4
161.09651	3.7
161.13210	2.3
163.11212	25.1
167.08582	4.6
169.10165	15.4
171.11707	6.6
173.09628	6.2
173.13295	5.7
175.11180	1.9
181.10158	5.8
181.12222	4.9
183.11694	9.2
184.07387	1.8
185.09563	2.9
185.13248	7.9
187.11183	10.0
189.16411	1.8
191.10626	2.4
195.11792	4.2
199.11252	4.6
199.14859	4.7
201.12776	6.6
203.14348	4.9
203.17990	2.5
209.11665	12.8
209.13351	2.0
217.15932	2.6
221.41643	1.8
227.12773	7.4
239.17917	3.8
241.19577	3.7
250.87224	1.8
255.21179	3.0
257.18997	3.1
265.19598	7.0
283.15427	100.0
283.20007	8.4
284.15836	5.5
291.99374	1.7
293.17487	3.9
301.21585	5.8
328.15378	2.1
375.25311	3.5
414.26453	1.7
501.28461	18.8
502.28949	2.1
583.36249	2.6
637.26898	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.4
55.05511	0.8
56.05032	0.6
57.03429	0.3
57.07068	0.4
58.06603	0.6
60.07890	0.4
60.08165	5.8
65.05011	0.2
67.05508	1.6
69.07092	1.3
69.07549	1.5
71.07372	3.5
74.06205	0.2
75.70425	0.2
77.63634	0.2
79.05491	0.7
81.07060	1.2
83.08634	0.4
86.09707	28.8
87.10027	0.4
91.05476	1.1
93.07058	0.9
95.04951	0.4
95.08601	1.7
97.06503	0.4
98.23368	0.5
98.98468	3.4
104.10728	2.2
105.07013	0.7
107.04922	0.3
107.08588	0.3
109.06490	0.3
117.07022	0.3
119.08545	0.7
121.10173	0.2
123.08033	0.3
123.34800	0.3
125.00006	20.1
125.09621	0.3
131.08568	0.7
143.01019	0.4
145.10088	0.3
159.11772	0.4
163.11183	0.4
184.07343	100.0
185.07716	1.7
187.11124	0.2
199.53465	0.2
202.15968	0.3
211.55330	0.3
238.63962	0.3
239.17664	0.3
281.17709	0.4
283.15381	1.1
393.26108	0.3
398.31805	0.3
496.34070	0.3
538.85431	0.3
576.22906	0.4
587.22766	0.6
619.24963	0.5
636.25513	0.5
636.42267	5.7
637.25745	0.3
637.42059	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	0.6
63.71320	0.6
67.05505	1.2
79.05502	0.8
81.07047	1.2
83.08689	0.6
91.05493	1.0
93.07042	0.9
95.08579	0.7
96.40057	0.6
97.76604	0.7
98.22518	0.9
105.07049	1.1
143.57915	0.6
170.51050	0.6
184.07367	0.7
190.41603	0.6
209.10863	0.7
210.11459	0.6
211.12378	0.6
223.12213	0.7
259.12442	0.8
286.70523	0.6
300.14639	0.6
308.11896	0.6
324.11404	0.7
348.15353	0.7
352.14368	0.7
362.15863	0.8
374.16489	1.2
376.17007	1.1
377.17679	2.2
378.18430	2.2
379.19104	1.2
385.15152	0.7
386.15433	1.1
387.16037	1.2
388.16983	0.8
389.18079	1.1
390.18585	1.7
391.19241	4.0
392.20065	2.4
393.20779	5.3
398.15274	0.7
399.16028	2.0
400.16846	2.9
401.17929	3.1
402.18396	1.4
403.19269	0.7
405.16498	1.3
405.20865	2.5
406.21661	0.8
407.22269	6.3
408.22595	0.9
411.16400	0.8
413.17648	2.3
414.18546	4.1
415.19473	8.0
416.19836	2.6
417.20969	1.6
418.17828	1.0
419.18594	2.5
419.23169	1.1
420.19214	1.0
421.20157	6.0
425.17685	1.2
427.19498	1.7
428.20047	2.8
429.16080	1.5
429.21536	6.0
430.21832	2.8
431.18518	1.3
433.20413	1.8
435.21747	6.0
436.22556	2.1
441.17120	2.0
442.17636	1.1
443.18427	3.5
443.22824	2.7
444.18716	4.2
445.20462	3.7
446.20871	1.6
447.18179	2.0
447.22745	1.1
448.18515	1.1
451.30392	0.7
456.19684	0.8
457.20752	3.9
458.21127	4.3
459.17838	1.3
459.22089	0.9
461.19284	3.3
462.20197	0.9
463.20929	1.3
469.16425	1.0
470.17181	1.1
471.22321	7.0
472.23499	4.5
473.19394	5.7
474.20404	2.6
475.16782	1.0
475.21573	2.3
476.18271	0.8
484.19067	0.8
485.19839	4.3
486.20383	6.9
487.21686	4.0
488.22623	1.1
489.18658	2.4
489.23343	2.7
490.19418	4.9
491.20914	2.3
499.21198	10.8
500.22446	4.5
501.23514	1.4
502.20343	1.7
503.24203	3.8
504.22177	0.8
513.19196	6.0
514.19965	2.3
516.21503	1.7
517.22430	16.4
518.22552	2.1
519.20770	0.7
521.25708	1.3
522.26031	1.1
527.20905	2.7
528.21588	1.0
529.22388	2.6
530.22876	0.9
531.24414	11.3
532.23529	1.3
543.24005	1.2
545.22028	1.0
549.24872	7.3
550.25146	1.5
559.23383	74.1
560.23718	10.6
573.21674	1.1
577.24359	3.4
578.24994	1.3
587.22754	12.9
588.23126	2.1
591.26105	5.1
592.27246	0.8
605.23993	8.5
606.24536	1.2
609.27087	1.1
619.25519	74.1
620.25696	11.9
637.26550	100.0
638.26953	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	637.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
67.51374	0.3
85.70891	0.3
95.19314	0.3
98.23375	0.8
106.11702	0.3
144.07988	0.4
147.01723	0.4
147.02676	0.5
182.09544	0.6
209.10695	0.6
223.12102	0.5
233.10756	0.5
235.12146	0.4
237.10019	0.4
245.10603	0.4
251.11697	0.4
257.10410	0.4
313.62137	0.3
336.15027	0.4
363.16177	0.6
364.16956	0.6
372.14545	0.5
374.16476	0.7
375.16901	0.8
376.17590	0.6
377.17496	0.9
378.18289	1.0
384.13950	0.5
385.14569	1.0
386.15329	1.1
387.16071	1.1
388.17203	0.7
389.18469	0.4
390.18555	0.4
391.19162	1.5
392.19632	1.1
393.20572	2.1
397.14780	0.3
398.16251	0.7
399.16248	2.1
400.16815	3.0
401.17657	3.8
402.18329	1.2
403.19382	0.7
404.20013	0.5
405.20547	1.2
406.21628	0.6
407.22375	2.4
408.22537	1.0
411.16202	0.7
412.17548	0.7
413.17609	3.3
414.18481	4.1
415.19302	8.3
416.20349	2.3
417.20670	1.3
419.18414	1.1
421.20389	2.7
424.16360	0.5
425.17688	0.9
427.14551	0.7
427.19260	1.5
428.20288	4.2
429.21225	8.4
430.22079	2.4
431.18301	0.8
433.20569	0.5
434.20859	0.5
435.21689	2.0
436.22311	0.8
439.18881	0.9
441.16995	1.4
442.17215	2.5
443.18243	3.4
443.22580	3.5
444.18372	4.9
444.24054	1.3
445.19968	2.3
447.17755	0.7
455.19208	0.7
456.19788	1.9
457.20505	5.8
458.21045	5.5
459.17026	0.6
459.22296	0.9
461.19482	0.7
462.20264	0.6
467.18225	0.4
469.16547	0.7
470.16785	0.6
471.22318	7.5
472.23074	5.3
473.18991	4.0
474.20181	1.6
475.21439	0.6
477.19083	0.4
483.18555	0.6
484.18829	1.2
485.19794	4.0
486.20609	7.1
487.21259	3.7
488.21851	1.2
489.23581	1.7
490.19894	3.3
491.20639	1.1
498.20456	0.5
499.21313	10.9
499.27222	0.4
500.22473	4.1
501.22379	1.2
502.20139	1.1
503.24841	4.0
504.23224	0.7
513.19305	1.3
514.19855	1.2
516.21625	1.7
517.22266	4.4
518.22858	0.7
527.20807	3.4
528.21924	1.6
529.22034	0.4
530.22894	0.6
531.23926	12.7
532.24030	1.2
541.22290	0.5
543.23999	1.7
545.21887	1.3
549.24609	0.9
559.23352	100.0
560.23669	14.6
587.22858	19.9
588.23071	3.5
591.25848	0.6
605.24176	1.1
619.25470	90.2
620.25745	16.1
637.26520	9.3
638.27161	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.4
57.07077	6.3
65.03926	0.7
67.05499	2.0
69.06255	4.9
69.07053	1.1
70.06660	0.7
76.50433	0.6
79.05502	1.7
81.07057	1.7
83.04981	8.4
91.05480	2.9
93.07040	0.6
94.06533	0.7
95.08617	0.9
97.06519	1.0
97.10141	0.6
98.98506	1.2
105.07039	1.9
109.10174	0.9
117.07072	0.8
118.06554	1.4
119.08598	1.7
123.35431	0.5
129.07022	1.3
131.08583	1.1
133.10126	0.7
141.07011	1.7
147.11681	6.4
151.01598	0.8
159.08022	1.1
169.07576	0.8
175.01602	1.9
184.07397	0.7
194.09737	0.7
207.09190	1.0
208.09982	1.2
209.10799	1.8
210.11523	1.0
221.10860	2.6
222.11511	1.2
223.12390	2.8
224.13123	1.0
225.13936	2.8
233.10742	1.2
235.08653	0.8
235.12320	1.8
237.13866	2.5
238.14639	0.7
239.04761	1.6
247.08685	0.9
247.12332	1.9
249.10228	1.5
249.13908	1.1
251.11835	0.6
263.08301	0.8
263.11795	1.0
274.09091	0.6
275.08224	0.9
277.09793	1.9
305.09177	0.9
310.13681	0.7
311.10635	0.9
311.14206	0.8
313.27484	1.0
324.11334	0.9
325.12201	1.0
326.12970	0.8
331.08731	0.6
337.02368	8.7
338.12909	1.9
340.14545	1.4
354.12256	0.7
360.15524	0.8
368.13724	0.7
385.14059	0.8
393.08649	2.6
399.16119	1.3
400.16394	0.6
401.17746	0.8
403.19754	0.8
405.16757	0.9
412.15259	0.6
413.18048	1.2
414.18652	1.3
415.19504	1.1
416.20584	0.7
417.16965	1.3
419.18826	0.9
424.16046	1.1
426.14664	0.8
427.15167	3.3
428.16077	1.9
429.16479	1.1
429.21579	1.2
431.18790	1.0
441.17105	4.7
442.17850	3.2
443.18683	2.4
444.19266	1.1
451.30417	2.2
455.14468	1.6
455.19742	1.0
456.19836	2.0
457.20633	5.6
458.21033	2.0
459.17926	0.9
460.19302	0.9
467.18768	1.0
469.10883	1.1
469.16693	3.7
470.17575	2.3
471.21909	2.8
472.22311	2.2
473.19855	1.4
474.20493	1.2
475.21658	2.9
484.18658	1.7
485.19934	5.8
486.19803	0.8
489.23517	2.9
491.20737	1.7
497.16043	1.5
498.16336	0.9
499.21472	12.2
500.22092	5.8
501.19583	2.8
502.19858	1.5
503.20520	4.3
504.20969	1.0
511.21008	1.5
512.18231	2.9
513.19037	3.4
517.22467	8.9
518.22821	1.9
525.18024	4.9
526.19031	0.7
527.20801	18.5
528.21454	4.9
530.19769	0.8
531.23578	1.7
533.21893	0.8
539.39612	0.9
543.23938	16.8
544.24121	1.5
545.21973	4.5
549.25189	1.2
555.20313	3.7
559.23505	8.0
560.23700	1.4
569.22546	0.8
577.24048	1.5
581.24261	17.8
582.24280	2.1
587.22870	100.0
588.23267	12.9
591.38092	1.1
605.24121	1.5
619.25519	39.7
620.25720	8.0
637.28381	5.5
638.46027	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83817	0.6
55.05507	1.8
57.07068	2.1
67.05507	3.3
69.03423	0.8
69.07072	1.0
71.08618	1.6
72.50470	0.6
79.05495	2.9
81.07062	3.5
83.05012	0.9
83.08627	1.4
84.46438	0.6
85.10152	0.7
86.91351	0.6
91.05494	2.3
93.07046	3.2
94.06600	1.5
95.08601	3.5
97.06529	0.6
105.07049	2.2
108.08109	1.3
109.06539	0.8
109.10175	1.8
112.06017	0.6
117.07032	1.4
118.06539	0.7
119.08531	1.4
121.10118	0.9
131.08575	0.8
133.10165	0.7
134.12155	0.6
145.10159	0.9
146.06013	0.9
149.09628	0.9
154.06540	0.7
156.08014	0.8
157.10150	0.7
162.05540	2.7
167.07314	1.5
168.06851	0.8
168.08142	1.5
170.09608	0.8
172.56317	0.7
173.13438	0.8
180.08176	0.9
181.07620	2.4
181.08920	1.6
182.08420	1.9
182.09790	0.8
183.10535	1.0
184.09985	0.8
193.07579	3.6
194.08408	2.0
195.09171	8.1
195.10713	0.7
196.09868	5.1
197.10730	5.6
198.12891	1.0
200.09407	0.7
206.08435	0.8
207.09171	6.1
208.08044	1.2
208.09836	4.9
209.07178	2.1
209.10716	10.5
210.07948	1.7
210.11447	9.1
211.08615	2.1
211.12238	3.2
212.09418	1.2
212.13118	1.9
219.09171	1.4
220.09961	1.1
221.07181	3.7
221.10777	2.0
222.07910	2.5
222.11462	1.5
223.08714	11.5
223.12259	8.6
224.09433	23.0
224.12840	5.9
225.10222	9.1
225.13821	8.9
226.14613	4.0
227.15543	1.1
235.08609	7.0
236.05588	1.1
236.09360	4.7
237.06636	1.8
237.10175	7.5
238.10922	4.2
239.08199	2.9
239.11827	1.7
241.09795	1.0
249.06694	1.6
250.07356	1.1
250.11098	1.3
251.08176	6.2
251.11792	7.7
252.08876	2.2
252.12575	0.8
253.09610	1.1
253.13370	28.2
254.10725	0.7
254.13863	2.5
255.11334	5.4
256.09427	1.0
256.12012	5.8
257.12808	0.9
263.08081	4.8
264.08832	5.8
265.06219	1.2
265.09799	4.1
265.13345	1.5
266.06891	0.8
266.10516	3.4
267.07736	1.0
267.11102	0.7
269.09299	2.3
269.12787	1.6
270.13632	1.8
271.14407	2.9
271.17035	0.9
272.08029	1.7
275.08112	1.1
277.06189	2.4
278.06882	1.2
279.07718	2.7
279.11331	8.1
281.09299	4.6
281.12866	3.1
282.09714	1.4
283.10834	1.9
291.07608	9.6
292.08228	1.2
293.09320	2.3
295.07178	1.7
296.77457	0.7
297.12329	6.6
300.11121	0.9
308.07837	1.1
309.08716	2.0
310.09396	5.8
311.10303	2.9
311.13748	0.9
313.27490	1.3
319.07352	2.6
321.08701	0.9
323.10373	1.3
325.11859	6.3
327.09842	1.1
343.12988	1.2
351.09744	37.5
352.09900	3.3
369.10806	28.9
370.11221	1.5
417.17050	1.1
447.18118	0.9
456.15857	0.7
458.16626	1.0
465.35724	0.8
470.17325	2.4
475.21536	1.1
485.18735	0.7
489.22684	1.1
490.23477	1.0
503.20950	2.3
517.22449	8.8
518.22656	1.8
522.38605	2.5
545.21991	2.9
549.25305	1.3
559.23914	0.9
573.21515	5.1
577.24481	45.5
578.24823	5.7
587.22552	0.9
605.23926	100.0
606.24231	14.1
619.25647	0.9
623.24957	1.0
637.26550	19.4
637.48853	0.8
638.26868	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	637.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04245	0.4
53.03954	0.5
55.01868	0.9
55.05516	1.8
57.03435	1.0
67.05505	2.4
69.07069	0.8
71.04931	0.4
71.08637	0.6
79.05504	3.2
81.03426	0.9
81.07048	2.4
83.04970	0.5
83.08622	0.8
83.60153	0.4
89.06022	0.4
90.11024	0.4
91.05497	3.3
93.07053	3.0
95.04974	1.5
95.08632	1.7
99.08123	0.4
105.07008	2.2
107.04936	0.7
107.08624	1.5
109.06499	0.5
109.10217	0.5
117.07049	1.8
119.08607	1.6
121.06519	0.6
123.08083	0.5
129.07013	0.6
131.08606	0.9
133.10106	0.6
136.33708	0.4
143.08611	1.0
145.10176	1.1
147.11720	0.5
163.11255	1.3
164.11699	0.5
169.10118	0.5
171.11674	0.4
233.10757	0.6
239.12050	0.5
283.15427	2.6
287.39096	0.5
303.23462	0.5
375.16312	0.6
387.16534	0.5
388.17111	0.8
389.17578	2.0
389.22781	0.4
390.18500	0.8
391.19528	0.7
401.17758	1.7
402.18347	1.8
403.19501	2.5
404.20029	1.3
405.20819	2.0
406.22070	0.5
415.14914	1.0
415.19885	1.1
417.16977	2.3
417.20917	2.4
418.21854	0.7
419.22501	3.9
429.17099	1.6
430.17517	0.8
431.17896	3.1
432.19363	1.4
444.19464	0.8
445.20190	5.2
446.21289	2.8
447.22525	2.7
449.20071	0.9
457.16104	0.8
459.21539	1.4
460.22638	0.6
461.15439	2.2
463.21600	2.9
471.18488	0.8
475.17752	1.8
476.18405	1.9
477.19510	1.8
489.18710	2.0
490.19833	8.3
490.26416	0.6
491.20740	12.5
503.20856	3.7
503.29965	1.4
504.21500	1.6
505.22205	0.6
517.22699	2.2
518.22565	1.1
533.25677	6.0
535.20166	0.9
545.22107	0.8
549.24554	1.6
559.23602	0.8
562.22644	0.6
577.24426	24.5
578.25055	3.3
593.27655	1.3
605.23901	1.5
609.26385	0.7
619.25659	0.7
620.25085	0.7
637.26563	100.0
638.26917	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	637.2656
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
51.74586	0.9
52.84308	0.9
53.03936	2.7
55.05510	1.9
57.03458	1.1
57.07078	1.5
67.05507	6.0
68.96036	5.2
68.96463	3.9
69.07061	3.4
70.89285	1.0
71.08637	1.3
79.05484	7.2
81.07049	4.3
83.04967	1.4
83.08600	1.6
91.05502	5.3
93.07047	3.5
95.04958	3.1
95.08609	4.1
97.10194	1.6
98.23363	2.4
104.04976	2.7
105.07025	3.3
106.06557	2.0
107.08618	2.0
109.06503	1.3
109.10159	3.1
116.04946	1.2
117.07008	1.3
119.08559	3.6
120.08084	2.2
121.10169	2.1
121.83927	0.9
123.08051	1.1
129.06998	1.1
131.08527	2.0
133.10149	2.3
134.06035	10.7
135.08090	1.0
135.11647	1.2
137.13312	1.0
138.05443	1.1
144.09207	1.0
145.10107	2.1
147.11716	1.3
152.07031	1.8
164.07028	1.1
167.99678	0.9
172.03963	3.8
176.85831	0.9
178.05002	13.5
197.10812	1.5
204.06485	5.3
211.08752	1.6
223.08572	2.3
225.10236	3.0
227.11836	1.7
235.08647	2.2
236.09395	1.8
237.10237	4.4
238.10915	1.3
239.11757	1.4
241.13483	1.6
249.10223	4.9
250.11118	1.4
251.08069	3.1
251.11852	2.1
252.08948	1.1
252.12724	1.2
253.09695	1.2
253.13333	2.2
263.08157	2.2
265.09561	1.7
277.09628	5.0
278.10349	1.5
279.11145	2.1
281.12900	3.5
297.12515	1.9
299.14114	1.5
301.12277	1.7
305.09253	2.8
309.12372	1.9
312.11429	1.9
312.14896	1.9
313.12219	1.3
313.27402	1.9
314.12888	1.6
315.13568	2.0
324.11166	2.0
325.12173	2.1
326.12854	3.6
327.13736	1.5
328.11090	1.8
328.14584	1.9
330.15997	2.1
337.11795	12.2
338.12622	3.1
339.13437	2.3
340.10803	2.4
340.14487	3.3
342.12268	1.5
342.16016	1.5
352.10474	1.3
352.14438	1.5
354.12338	2.5
354.16153	2.2
356.13736	1.4
356.17615	2.0
358.15396	2.5
366.12500	2.0
367.12967	2.0
368.13983	3.2
369.14847	1.1
370.15588	1.8
382.15530	3.4
386.14661	1.3
389.18005	1.7
396.13245	1.8
397.13815	1.1
398.14771	1.7
410.14972	2.5
411.15686	1.1
412.16888	1.7
418.18097	1.4
428.16144	3.2
429.16928	1.7
430.18097	1.4
438.14438	1.5
442.17554	3.4
444.19189	2.3
445.20502	1.4
447.18103	3.0
461.19736	1.2
463.21265	1.3
470.17181	6.7
472.18616	2.3
475.21271	3.2
488.18045	1.8
489.18582	1.4
491.20667	2.6
503.20609	3.8
504.20990	1.8
517.22894	2.4
518.19073	1.2
521.38330	1.4
522.38440	2.2
530.19214	2.1
531.19586	1.3
535.23425	24.7
536.23621	4.3
545.21881	1.8
549.24878	2.3
561.24854	1.3
563.22522	3.5
573.21185	3.2
577.24377	39.2
578.25092	6.4
587.22125	1.9
595.25061	8.8
605.23938	57.0
606.24030	7.2
609.26978	2.5
619.25116	1.8
623.24500	1.1
637.26514	100.0
637.43341	3.6
638.26862	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	637.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.4
54.32178	0.4
55.01874	1.3
55.05506	3.4
57.03436	5.5
61.02923	4.5
67.05506	4.8
69.03436	3.0
69.07076	2.0
70.32900	0.6
70.33210	0.7
71.01367	1.0
71.05012	0.8
73.02917	2.5
74.17148	0.4
74.64000	0.5
79.05494	8.3
81.03416	5.7
81.07050	5.7
83.01355	0.5
83.04976	2.7
83.08643	1.7
85.02918	5.1
85.06546	0.8
91.03955	2.1
91.05487	4.6
93.07042	4.1
95.04952	2.2
95.08616	2.2
97.02901	4.6
97.06521	4.8
97.10193	0.9
98.06886	0.8
99.04468	1.3
101.02410	1.7
103.03988	0.4
105.07038	2.8
107.04970	2.4
107.08585	4.8
107.09174	0.5
109.02907	1.8
109.06537	1.2
109.10178	1.7
111.04455	1.1
111.08130	0.8
117.07044	1.5
119.08602	1.7
121.06505	1.0
121.10188	1.4
123.08087	1.4
125.09620	2.6
127.03959	1.9
127.77894	0.4
129.06989	0.9
131.04950	0.4
131.08545	1.0
133.06561	0.6
133.10191	0.9
135.04440	0.5
135.08078	1.6
135.11720	1.2
137.09770	0.4
145.05043	0.4
145.06535	1.0
145.10175	1.8
147.04459	0.5
147.08092	0.7
147.11745	0.7
149.05890	0.4
149.09637	0.5
153.09138	1.1
159.11781	0.4
161.06050	0.9
163.03960	1.4
163.11188	3.1
163.20114	0.5
173.02417	0.6
173.05951	0.8
173.09669	0.5
181.06313	0.4
187.03917	0.7
191.10638	0.5
193.12199	0.7
199.04001	0.5
201.05563	0.6
209.11658	0.5
211.13374	0.5
213.05524	1.5
223.07526	0.5
225.09190	0.4
227.10947	0.4
227.12857	1.7
236.14882	0.9
243.08485	1.4
249.10837	0.5
259.07809	0.8
260.10059	0.6
267.13757	0.7
273.14658	0.5
283.15442	1.3
284.13281	0.6
289.14413	0.5
293.11740	0.5
311.12885	0.6
337.14453	1.3
338.14838	0.6
355.15323	3.8
356.15640	2.4
373.16550	1.1
374.16803	0.7
383.22360	1.5
401.23434	0.5
411.16180	9.4
412.16809	0.5
440.48407	0.5
444.26917	0.4
457.25821	1.9
467.19150	4.1
475.27161	3.9
476.27539	0.4
594.49426	0.5
619.30084	0.5
637.28271	100.0
638.28717	12.0
638.37787	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.7
54.25846	0.3
55.01858	1.1
55.05508	1.3
55.35390	0.3
57.03434	2.2
59.48056	0.3
61.02927	3.4
67.05510	4.3
69.03432	2.6
69.07065	1.2
71.01345	0.7
71.05003	0.8
71.30709	0.5
73.02920	2.2
76.50221	0.3
79.05494	5.8
81.03414	3.7
81.07053	2.8
83.01330	0.3
83.04972	1.0
83.08608	0.6
85.02908	3.9
85.06539	0.5
87.04479	0.5
91.03970	2.5
91.05482	5.4
93.07041	4.5
95.04969	1.3
95.08601	0.8
97.02898	3.2
97.06530	2.0
97.10184	0.7
99.04466	0.7
101.02402	1.1
103.05476	0.3
105.03410	0.3
105.07042	1.4
107.04961	1.1
107.08594	4.1
108.69897	0.3
109.02912	0.8
109.06537	0.5
109.10155	0.8
111.08137	0.4
112.10149	0.3
115.03925	0.5
115.05460	0.5
117.07014	3.8
119.08585	1.3
121.06518	0.6
121.10161	0.5
123.08076	0.3
125.09692	0.5
127.03950	1.2
129.06931	0.4
131.08585	0.5
132.18353	0.3
133.06529	0.3
133.10133	0.8
135.08044	4.1
135.11679	3.2
145.04961	0.3
145.06450	0.4
145.10149	0.8
147.11636	0.3
153.09293	0.3
163.03923	1.1
163.11209	0.8
173.02327	0.4
181.12157	0.4
185.04291	0.3
187.03931	0.4
199.03943	0.4
209.11934	0.4
210.14313	0.3
213.05614	0.7
221.11507	0.8
225.05585	0.3
226.70238	0.4
243.08374	1.7
253.11699	0.3
255.12439	0.6
255.15822	0.3
259.09671	0.4
277.14154	0.4
283.15442	0.7
303.06863	0.9
311.12897	0.7
337.14230	0.5
355.15369	1.3
356.15811	0.6
439.15738	5.8
439.20221	2.3
440.15729	0.4
514.25659	0.3
619.29199	0.5
637.28265	100.0
638.28650	12.5
638.36688	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	5.9
67.05508	6.6
68.39841	2.0
68.99432	17.2
68.99840	3.0
71.02473	2.8
78.86677	2.0
91.05465	10.5
93.07047	8.4
94.06566	11.3
96.04497	3.0
97.93880	2.1
98.06058	3.3
98.23363	4.0
108.08118	13.5
110.06084	2.3
119.04969	6.1
121.06536	2.8
122.06033	46.4
122.06887	3.1
123.08099	2.9
124.07607	4.9
129.94147	2.0
134.06017	2.2
136.07579	39.1
138.09128	27.6
140.07063	7.1
146.06030	2.2
146.09673	3.2
147.04425	6.1
149.07202	2.2
150.05463	4.8
160.07544	4.0
162.05551	7.8
163.08702	2.8
164.07066	100.0
164.10667	4.8
165.07408	5.1
172.07529	3.1
174.05626	2.3
174.09157	15.3
175.08733	3.3
176.07040	3.1
176.10715	2.2
177.06613	9.1
181.09735	27.0
182.08237	3.1
186.05505	2.7
188.07137	10.2
189.10255	6.3
191.08119	26.2
192.10197	5.0
200.07072	11.6
201.06619	9.8
201.10133	3.2
202.08714	23.1
203.08115	48.0
204.06516	25.1
205.09776	4.4
206.08136	2.1
208.54631	2.2
213.10257	7.1
215.08282	3.2
215.11885	3.9
217.09705	38.1
218.08165	3.3
219.11290	3.7
220.09685	3.6
227.08170	5.9
229.06084	22.5
229.13289	3.0
230.08195	17.9
231.11317	4.6
233.09238	5.5
234.20784	2.3
235.10786	5.0
241.09734	8.6
241.13194	2.3
243.07748	8.8
243.11400	5.5
244.09665	4.0
245.09213	59.0
245.12930	2.5
246.07574	11.3
246.09698	3.0
247.10796	5.6
248.09151	11.5
257.09262	6.0
257.12915	6.0
259.10724	13.8
261.08725	20.5
261.12384	5.4
263.10263	69.6
264.10440	3.8
269.09192	6.6
271.07162	16.9
271.09750	1.9
271.11111	2.1
272.09354	10.1
273.12299	4.5
274.13263	3.2
275.13962	10.5
277.11801	3.9
285.08716	5.9
285.12213	5.0
287.10269	37.6
289.08212	7.0
289.11893	6.0
290.10147	3.8
299.13809	4.7
301.08505	1.9
301.11795	44.2
302.12292	3.6
305.11307	97.3
306.11755	4.0
307.12854	16.2
313.08145	11.6
315.10175	3.1
317.14944	2.8
319.12872	5.5
319.16641	2.8
322.15314	4.4
331.09125	5.6
333.10965	9.6
333.14502	2.9
338.11206	3.2
338.14914	2.9
339.16861	2.6
360.16995	3.7
364.16724	3.1
366.18112	9.5
367.16714	2.4
378.18121	6.8
380.15836	3.4
381.18182	5.8
382.17255	2.4
384.19080	2.8
398.17035	6.6
398.21417	3.5
406.17520	13.6
408.19138	8.7
420.19116	11.5
424.18613	11.9
426.20486	55.8
427.20303	6.5
434.16684	3.6
436.97369	2.5
438.20166	10.3
444.21307	48.3
445.21555	6.8
450.16397	20.9
452.18146	62.4
453.18381	7.8
456.21588	2.9
468.17557	26.0
469.18051	4.4
470.19147	40.4
471.19101	5.0
472.12509	2.3
482.19083	5.9
543.25842	7.8
571.25323	12.3
572.25446	2.6
573.27209	3.4
589.26550	92.4
590.26886	12.9
601.26343	3.2
607.27533	41.6
608.28003	6.7
619.27759	16.2
620.27795	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	637.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	8.5
61.64521	2.6
66.37217	2.0
67.05508	7.2
69.85500	7.6
79.05489	2.7
91.05490	9.0
93.07034	10.8
94.06571	14.3
95.07365	3.1
96.04507	4.3
96.08156	4.9
98.06072	4.8
103.05471	2.3
106.06552	2.7
108.08141	16.5
110.06091	3.2
110.09685	7.0
111.10072	3.0
118.06593	3.8
119.04937	7.1
120.08108	9.2
121.06466	3.1
121.08452	2.7
122.06037	50.3
123.06877	3.4
124.07612	5.7
134.06015	2.3
136.06596	1.1
136.07573	45.3
138.09143	60.1
139.09503	10.5
140.07097	6.1
146.09660	2.4
147.04349	4.0
149.07048	2.2
160.07591	4.3
162.05519	7.6
163.08661	5.2
164.07069	100.0
164.10759	4.2
165.07419	4.4
172.07605	2.2
174.09114	18.3
175.08640	4.1
176.07053	2.3
177.06583	13.9
181.09731	34.2
182.09917	2.3
186.05490	3.3
187.08679	5.0
188.07083	9.5
189.10278	3.6
191.08162	37.3
192.10187	2.6
199.08678	4.6
200.07097	6.5
201.06543	10.9
202.07353	3.3
202.08755	26.6
203.08131	52.2
204.06584	28.8
204.08466	3.6
205.09773	4.7
213.10185	4.6
214.10953	3.2
215.08243	6.4
215.11801	3.5
216.10368	2.5
217.09734	38.6
218.08212	3.0
219.11267	4.5
220.09740	2.4
227.08147	6.0
227.11684	3.2
228.06516	3.3
228.08606	2.1
229.06105	24.8
230.08148	15.7
231.07753	4.5
231.11290	5.9
233.09238	5.5
235.10829	4.9
235.63464	2.3
241.09732	7.6
242.10330	2.1
243.07687	8.4
243.11325	5.3
244.09756	6.2
245.09218	54.1
245.12944	6.0
246.07631	8.9
246.09865	4.1
247.10754	6.3
248.09245	10.5
249.09523	2.1
255.11053	2.6
257.09140	11.1
257.12900	6.7
259.10748	14.0
261.08731	33.2
262.08984	2.5
263.10294	67.7
264.10620	3.9
269.09149	5.3
270.07657	2.8
271.07178	13.5
272.09210	7.7
273.12338	4.9
274.13116	3.0
275.13947	9.5
277.11777	5.8
285.08762	7.0
285.12054	3.0
287.10287	38.9
289.08185	8.1
289.11761	6.1
290.10138	2.5
291.09900	3.9
299.13873	4.6
301.11847	53.1
302.12320	3.7
303.13428	3.3
305.11331	91.9
306.11737	6.1
307.12900	18.3
308.13327	2.9
313.08154	8.4
315.09705	4.0
319.12918	4.3
321.14807	2.7
322.15381	5.9
324.17010	2.6
329.11227	3.2
331.09225	2.4
333.10760	5.0
336.17172	3.5
338.14886	2.4
339.16986	2.6
340.12860	2.5
348.17020	2.7
352.16614	6.2
364.16409	5.0
366.18207	15.1
378.18063	10.6
380.20084	3.6
384.19321	2.4
398.17044	8.5
406.17496	13.6
408.19217	7.4
420.19214	10.8
424.18536	7.9
426.20520	35.0
427.20508	4.9
434.17154	7.6
436.18170	2.5
438.20258	10.2
441.23093	2.5
444.21353	37.4
445.21420	4.9
450.16351	15.9
452.18231	62.3
453.18729	6.3
454.19003	2.7
456.20999	2.4
468.17502	21.6
470.19244	44.6
471.19571	4.9
472.20251	2.2
482.18832	7.1
543.25726	6.3
571.25763	12.0
573.26984	3.9
589.17145	4.9
589.26532	95.4
590.27130	15.1
591.27161	3.5
607.27588	42.5
608.27679	6.1
619.27551	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	1.8
55.01866	8.7
67.05508	7.7
70.33343	5.3
71.02471	5.1
79.05513	2.2
85.16296	1.9
87.92651	1.8
91.05482	6.5
93.07056	7.4
94.06569	10.1
95.04926	2.0
96.04484	2.5
108.08121	13.9
110.06068	3.4
119.04971	3.9
121.06542	4.4
122.06031	37.7
122.09669	2.4
123.06866	2.8
124.07620	4.8
136.07581	41.2
138.09158	33.3
140.07042	4.6
141.64261	1.8
146.06004	2.5
146.09674	2.8
146.98457	1.9
147.04419	6.0
148.07579	4.6
149.07155	2.7
150.05525	4.1
153.10208	3.9
160.07553	4.8
162.05533	7.5
163.08664	2.5
164.07072	90.2
164.10756	3.1
165.07433	2.9
172.07632	4.8
174.09137	17.7
175.08707	4.9
176.07098	2.5
177.06546	12.6
181.09724	32.5
184.07625	2.1
186.05553	3.8
188.07047	9.6
188.10735	2.1
189.10234	2.9
191.08167	32.4
192.08441	2.2
192.10208	4.3
199.08723	3.7
200.06970	4.6
201.06596	7.6
202.07112	2.7
202.08766	21.9
203.08145	58.6
204.06581	29.9
204.08421	3.4
205.09695	4.8
213.10262	6.5
215.08136	5.1
215.11940	3.3
216.10229	2.0
217.09726	34.6
218.08199	2.4
218.10123	1.8
219.11336	4.9
220.09720	4.8
227.08221	3.9
229.06100	26.4
229.09654	2.8
229.13367	3.3
230.06342	1.9
230.08200	18.8
231.07832	2.2
231.11212	4.2
233.09180	2.8
235.10831	5.4
241.09776	4.9
242.08133	2.0
243.07652	9.9
243.11325	3.7
244.09712	5.6
245.09242	59.4
245.12996	5.4
246.07640	8.2
247.10742	6.1
248.09198	12.7
257.09290	5.3
257.12921	3.8
259.10840	14.1
261.08743	18.2
261.12347	2.4
263.10281	66.0
264.10648	4.1
265.11832	4.4
269.09229	5.0
269.38861	2.0
271.07217	16.7
271.10147	2.7
272.09320	11.5
274.13171	3.5
275.13919	9.3
277.11789	5.3
285.08817	3.1
285.12341	3.3
287.10309	39.8
289.08252	5.2
289.11786	4.3
290.10284	3.4
291.09698	3.3
299.13812	5.2
301.08496	1.6
301.11804	33.0
302.12387	1.9
305.11337	94.2
306.11676	4.6
306.16202	2.2
307.12891	20.4
313.08200	7.1
315.09769	2.2
317.15024	2.5
319.13055	6.2
319.16736	2.3
322.15442	5.8
324.17050	3.1
326.15039	2.6
329.11200	2.8
331.09412	2.6
333.10794	9.3
336.16916	4.0
338.11487	2.6
339.16937	3.3
348.16992	2.4
352.16574	3.6
360.17007	3.8
364.16605	5.3
366.18243	13.9
367.16443	2.1
378.18210	6.1
381.18167	2.7
382.17657	3.3
398.16916	6.3
398.21365	3.7
406.17630	7.1
407.17526	2.2
408.19168	6.4
409.17700	2.2
420.19263	10.8
424.18640	8.8
426.20584	42.1
427.20325	4.4
434.17072	5.8
438.20523	8.6
444.21292	40.9
445.21222	2.3
450.16248	17.0
452.18176	51.1
453.18427	3.3
464.75851	2.0
468.17566	25.0
469.17728	3.0
470.19211	51.9
471.19601	2.9
482.18918	2.3
543.25677	4.9
571.25629	13.2
573.26746	3.7
589.26611	100.0
590.26758	9.9
607.27612	45.7
608.28009	4.3
619.27826	12.1
620.26361	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	637.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	1.4
69.08813	5.7
81.03400	1.2
91.05490	1.2
94.06571	0.8
97.02879	0.7
97.06524	1.2
98.22614	1.1
108.08136	0.8
113.34184	0.7
119.04933	0.7
119.08604	0.7
120.21788	0.6
122.06083	1.5
122.09691	1.7
136.07491	1.9
138.09134	2.3
153.87106	0.7
164.07063	2.8
164.10741	2.6
171.09151	0.8
182.08168	1.0
187.08617	1.1
189.10178	0.9
192.10251	1.2
200.09308	2.0
201.06589	2.0
202.07382	12.6
203.08237	0.8
204.06581	0.9
204.10339	0.7
210.11256	1.4
211.08643	1.1
212.09392	1.0
213.10251	1.7
215.08176	1.0
217.09755	12.2
225.10329	1.9
233.09209	7.7
235.10788	2.4
239.08282	0.8
241.09669	1.7
243.11436	0.7
245.09203	2.7
257.09232	18.2
257.11969	1.0
259.10400	1.1
261.08710	100.0
262.09012	4.6
263.10367	2.4
269.09296	1.1
271.10757	0.9
277.08203	2.9
277.11890	1.1
284.11612	4.6
285.08694	21.2
285.12234	5.1
286.09094	1.4
287.10242	2.2
291.13690	1.8
301.11697	1.4
302.12939	0.9
305.11310	4.0
313.08182	16.5
314.08536	1.4
318.12433	0.9
319.16693	1.5
322.11908	1.7
323.12668	0.8
331.09225	21.8
331.13159	1.1
332.09610	1.4
336.13516	4.7
347.16309	1.0
348.13416	1.7
350.14969	6.2
351.15665	0.8
361.14615	1.0
362.14966	1.6
362.18781	0.9
363.16434	0.9
364.16483	1.1
367.11429	1.0
376.12802	2.5
377.13663	6.2
378.18234	9.3
380.19650	1.9
388.16516	1.3
390.18405	1.3
391.15543	1.9
392.20007	3.6
398.17120	27.5
399.17435	2.4
402.18280	1.6
406.17627	55.7
407.18103	5.4
408.19467	8.7
409.19913	1.0
410.13275	0.9
414.16409	1.9
420.19162	1.2
422.17053	1.1
423.14069	1.6
425.15677	1.6
426.20215	2.0
434.17117	3.6
436.18680	29.3
437.18967	2.5
438.20313	3.0
444.20969	1.1
449.15427	0.7
452.18240	5.8
453.15057	7.4
456.20825	1.1
464.17917	2.4
467.16663	2.6
468.17624	17.1
469.17853	1.1
470.18625	1.0
474.21436	0.7
482.19223	64.9
483.19614	5.5
500.20203	2.1
573.26837	2.6
589.26373	2.9
607.27594	1.1
619.27582	85.5
620.27887	11.5
637.28558	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	637.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86912	0.8
53.03978	1.0
55.05520	4.2
57.07079	2.2
67.05507	8.1
69.07072	3.8
71.08628	1.8
79.05484	5.9
81.07065	7.9
83.08633	1.8
91.05490	5.1
93.07063	5.3
94.95238	1.0
95.08610	5.6
97.06514	1.0
105.07026	4.2
107.08614	2.1
109.10180	2.2
115.66054	0.9
117.07044	3.6
119.08556	4.3
121.10169	1.5
128.06152	1.0
129.07024	3.0
131.08592	3.5
133.10156	1.7
135.11737	1.0
141.07021	2.2
143.08598	3.2
145.10106	2.5
155.08574	1.8
157.10208	2.4
159.11734	0.9
165.07072	0.8
169.10197	2.4
171.11694	1.1
181.10136	2.0
183.11777	2.1
187.14783	1.0
195.11707	1.4
197.13329	1.4
225.16603	1.0
237.16420	1.1
238.64040	0.8
239.17929	1.2
288.25980	1.0
313.96414	0.9
340.84360	0.8
389.17984	1.1
390.18478	1.0
391.19321	1.0
401.17798	1.2
402.18549	1.1
403.19333	2.0
405.20715	1.9
406.21707	1.1
415.19333	2.5
416.20505	1.3
417.20874	3.7
418.21729	1.2
419.22318	2.7
429.17004	1.4
430.17960	3.9
431.18060	5.4
432.23816	2.1
443.18781	3.2
444.18890	4.8
445.19946	14.4
446.21078	5.5
447.22110	1.8
458.20886	10.9
459.21735	10.9
460.22739	8.6
461.19708	3.9
462.20560	2.0
475.21579	2.8
476.22064	1.5
477.22852	3.6
491.24689	2.3
503.20767	1.8
505.22235	1.2
517.22156	1.1
518.23297	7.5
519.23718	1.8
531.23700	1.7
533.25635	3.8
535.23541	1.7
545.25574	1.4
545.42889	2.1
546.26105	3.0
549.24902	2.3
573.25635	1.4
577.27496	3.8
605.27588	16.3
606.27887	3.8
619.47894	1.6
637.30188	100.0
637.48083	10.1
638.30432	16.9
638.48346	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87994	0.9
55.96167	1.2
66.86102	1.0
68.97742	9.0
68.98138	2.5
72.11503	1.0
76.38025	1.0
98.23450	2.1
112.29782	0.9
113.36282	1.1
152.95126	1.1
197.14822	1.1
224.30371	1.2
244.15366	1.2
389.17862	1.3
391.19315	2.8
392.20270	1.7
400.16898	1.9
401.17590	1.3
405.20682	5.6
406.21448	6.5
413.18073	2.2
414.18323	2.5
415.19226	4.2
417.20969	1.6
419.22488	2.2
420.23178	5.0
421.23816	8.5
427.19528	1.6
428.20175	2.0
429.20911	9.9
430.21637	4.0
433.19745	2.2
434.24493	2.2
443.22440	6.8
444.23169	5.7
445.20303	3.6
447.18295	3.0
452.22229	1.1
456.19531	1.5
457.24316	2.8
458.25159	7.1
459.21881	7.0
460.22830	7.6
461.19260	8.0
470.21194	1.9
471.21735	3.2
472.22720	8.1
473.23709	1.9
474.20151	1.2
475.21213	3.0
476.21967	7.8
485.23499	15.5
486.23807	4.5
487.21057	2.0
488.21829	6.1
489.22803	2.4
491.24454	1.3
499.22003	1.4
500.22025	2.0
503.24442	22.8
504.25168	2.5
505.22260	1.7
513.22949	4.8
514.23132	2.2
517.26263	9.0
529.26190	2.0
535.27118	29.9
536.27460	5.2
545.25464	76.5
546.25928	14.0
549.25281	1.7
563.26471	5.6
573.25067	18.3
574.25549	2.5
605.27576	63.6
606.27899	9.2
637.30194	100.0
638.30463	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	637.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
55.01874	0.6
55.05510	1.1
57.03441	2.1
58.25225	0.3
61.02935	2.7
64.50269	0.3
67.05510	4.3
69.03442	2.3
69.07074	1.1
71.01339	0.8
71.04989	0.8
73.02921	1.7
79.05495	4.6
81.03419	2.0
81.07063	1.9
83.04979	0.6
83.08640	0.6
85.02904	3.0
85.06553	0.5
87.04433	0.3
89.20322	0.3
91.03963	2.0
91.05487	2.2
93.07045	4.7
95.04995	0.7
95.08600	0.7
97.02900	2.8
97.06511	1.5
97.10183	1.1
99.04498	0.6
101.02370	1.0
103.03990	0.3
105.07024	0.9
107.04942	0.4
107.08598	3.3
109.02876	0.9
109.10154	0.9
115.03940	0.3
117.07004	0.4
119.08583	0.9
121.10155	1.0
127.03947	1.1
131.08620	0.5
133.10135	0.5
135.11693	5.4
145.10149	1.2
163.11238	0.8
181.12329	1.0
199.69215	0.3
203.05280	0.4
221.11501	2.2
243.08405	1.8
255.16124	0.8
265.14301	0.3
277.14346	0.9
283.15558	0.4
439.19385	12.7
440.19766	1.4
637.31885	100.0
638.32202	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	637.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	18.6
54.04313	4.8
55.01873	13.5
55.05509	22.3
57.03431	23.4
58.73863	4.5
67.05502	55.0
69.03428	35.2
69.07059	22.8
71.04989	12.0
71.29350	6.6
72.27964	4.1
79.05494	74.4
81.03417	100.0
81.07053	60.0
83.04984	44.5
83.08616	14.7
85.02909	18.4
91.05481	90.4
91.06023	7.8
93.07048	71.7
95.04962	29.7
95.08611	22.0
97.02885	25.4
97.06530	14.3
99.04443	13.0
101.02383	4.3
103.05460	4.7
105.03442	5.4
105.07025	59.2
107.04955	36.5
107.08585	30.5
109.02866	17.1
109.06538	11.8
109.10143	12.3
111.04459	14.0
111.08041	5.3
111.89962	4.5
117.07014	17.9
118.79343	5.0
119.08591	29.4
121.06524	8.4
121.10173	19.3
123.04436	5.5
125.09621	4.7
127.03939	17.3
128.06216	7.3
129.06978	27.5
131.08600	28.8
132.28784	4.4
133.06497	6.5
133.10138	33.8
135.11711	19.0
136.63847	4.9
141.07051	4.5
142.07742	7.3
143.08586	8.2
145.04907	4.9
145.06442	7.5
145.10095	25.5
147.08052	12.0
147.11671	16.7
149.09654	7.4
153.12732	14.9
155.08537	7.7
157.06589	6.4
157.10085	21.4
159.11742	8.9
161.05843	4.9
163.04037	5.4
163.11163	37.0
167.08603	4.6
171.11775	5.8
173.09572	5.8
175.11191	16.6
181.12238	20.7
191.10735	14.6
193.12274	17.8
199.11229	5.0
199.14789	5.2
209.11621	5.5
227.12796	18.7
230.42014	4.6
231.13739	6.5
242.06464	4.8
255.13838	7.1
265.14459	7.0
267.15927	55.7
268.16333	5.8
283.15439	42.9
289.14182	4.8
298.75558	5.5
412.79135	5.0
427.19693	15.4
457.25891	17.8
475.26926	37.7
555.29803	5.5
619.31183	27.4
637.31744	47.4
638.31537	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	638.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.1
55.01874	4.1
57.03439	2.7
67.05501	2.8
68.99754	1.6
69.03426	11.4
70.06589	5.7
71.02499	1.3
71.04998	2.6
71.29239	2.0
73.02513	1.3
73.02905	1.3
76.43765	1.4
79.05499	2.8
80.05025	3.0
81.03423	7.5
82.06589	1.8
83.57544	1.2
85.02911	18.2
87.00819	7.8
88.19452	1.3
91.05479	6.0
93.07056	7.8
94.06578	9.9
94.07375	3.6
95.04987	2.6
95.06843	2.0
95.07369	10.2
96.07618	2.1
96.08167	9.2
97.02891	14.5
97.06549	3.8
97.08476	4.0
98.06956	1.2
99.04459	4.3
99.23837	1.3
103.05447	1.3
105.01861	4.5
106.06564	1.5
107.07373	2.2
108.08140	9.6
109.02886	8.8
109.08469	4.3
110.09685	22.7
111.10020	8.8
115.05432	2.8
119.04908	2.9
120.08106	19.9
121.06517	1.8
121.08338	7.8
122.03634	3.2
122.06050	6.6
122.09687	3.7
123.04369	2.0
123.06397	2.3
123.10071	1.8
124.07592	4.5
125.07965	1.6
127.03915	13.2
129.01866	1.7
131.07301	3.2
132.07751	1.3
136.07600	6.0
137.05977	35.4
138.09132	90.0
139.09489	42.2
140.09775	10.6
143.04921	3.8
145.04919	8.4
146.09656	3.6
147.04398	2.6
149.06032	3.2
150.06726	1.6
150.09164	5.1
151.03967	3.2
151.09520	3.3
152.07053	2.2
152.09778	1.9
159.02911	5.7
159.04300	2.2
160.05135	2.1
164.07112	10.3
165.07394	3.1
166.08658	4.3
167.09015	1.9
169.72812	1.5
173.06018	4.2
174.09166	4.7
175.03917	2.7
175.07542	3.7
175.09528	2.9
176.09663	2.0
177.06783	3.1
178.05040	1.6
181.09766	5.3
182.08205	2.7
182.10028	2.7
183.10170	1.4
186.03111	6.6
187.03880	1.8
191.08223	5.0
192.08528	4.8
192.10190	2.0
193.08676	1.5
194.07220	2.8
200.09235	4.1
201.05435	19.4
202.08774	2.7
203.08861	2.1
205.06497	15.7
206.07224	2.0
207.06369	1.9
215.07018	3.2
217.09805	3.9
218.07481	1.8
218.10211	2.5
219.08205	2.3
219.10225	1.6
220.09723	3.0
221.06126	2.2
221.09999	2.0
222.06715	8.4
227.07057	2.9
230.08122	3.0
231.04900	2.7
231.08400	2.7
233.06009	14.3
233.08078	2.5
234.06737	5.3
237.09108	14.0
238.09637	1.8
239.07014	2.8
243.06454	3.1
245.09283	3.3
246.09560	1.5
247.07544	3.9
248.08960	2.5
249.05515	2.2
249.09372	4.1
250.06181	14.1
251.07034	2.7
259.10040	2.3
261.05594	2.6
261.08755	11.7
262.06317	3.2
262.08936	14.5
263.06827	1.8
263.09436	8.5
264.07822	4.9
265.08597	36.7
265.11304	2.4
266.09143	2.9
267.06570	4.1
273.09509	1.8
275.07074	1.7
277.05148	2.7
277.08429	4.8
278.05725	7.8
279.06512	3.2
279.10028	2.0
282.08932	3.6
285.08615	1.5
287.10049	3.2
288.10489	1.5
289.08459	1.7
292.07263	15.7
293.08084	28.4
294.08682	4.5
295.05984	2.2
297.11261	8.0
305.08246	2.6
305.11386	6.4
306.11542	2.0
307.06055	2.1
307.09595	32.4
307.12689	2.3
308.09760	1.7
308.13101	4.0
309.07651	1.8
310.08286	4.8
310.13925	1.7
311.08929	1.5
313.08276	3.2
314.08664	1.8
325.10690	100.0
326.11011	6.4
331.09366	2.4
332.09720	3.9
333.10065	1.4
337.10806	9.8
341.08340	1.3
343.11783	44.8
344.11926	1.8
345.11145	2.5
347.09052	3.3
349.10663	12.7
355.11905	7.5
359.08673	1.5
361.10550	4.1
363.12204	1.5
367.11859	3.5
373.10748	2.0
379.11740	2.7
387.12033	1.9
391.11703	5.0
393.17026	2.0
399.17319	4.4
400.18066	5.1
401.18640	3.3
408.19171	1.5
409.17764	2.7
415.11844	13.9
426.20221	3.8
433.12778	4.0
435.17465	2.6
436.17648	2.6
437.17624	2.6
446.21893	2.0
453.18179	3.3
454.18448	1.9
455.19379	3.3
456.20349	3.2
457.20706	2.4
470.18372	2.1
471.19269	5.7
472.19797	7.7
473.20239	9.0
474.21689	3.7
475.21912	3.0
481.17957	3.7
482.18170	5.4
483.18503	7.2
519.12860	2.5
537.13647	4.7
546.26788	2.4
555.14325	2.0
574.25702	2.8
590.26617	1.7
591.26746	3.8
592.27338	12.3
602.26215	1.8
608.27362	2.5
610.28308	3.2
619.27020	2.9
620.27124	16.4
621.26324	2.5
637.35620	16.3
638.27307	3.6
638.36200	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.1
55.01874	4.1
57.03439	2.7
67.05501	2.8
68.99754	1.6
69.03426	11.4
70.06589	5.7
71.02499	1.3
71.04998	2.6
71.29239	2.0
73.02513	1.3
73.02905	1.3
76.43765	1.4
79.05499	2.8
80.05025	3.0
81.03423	7.5
82.06589	1.8
83.57544	1.2
85.02911	18.2
87.00819	7.8
88.19452	1.3
91.05479	6.0
93.07056	7.8
94.06578	9.9
94.07375	3.6
95.04987	2.6
95.06843	2.0
95.07369	10.2
96.07618	2.1
96.08167	9.2
97.02891	14.5
97.06549	3.8
97.08476	4.0
98.06956	1.2
99.04459	4.3
99.23837	1.3
103.05447	1.3
105.01861	4.5
106.06564	1.5
107.07373	2.2
108.08140	9.6
109.02886	8.8
109.08469	4.3
110.09685	22.7
111.10020	8.8
115.05432	2.8
119.04908	2.9
120.08106	19.9
121.06517	1.8
121.08338	7.8
122.03634	3.2
122.06050	6.6
122.09687	3.7
123.04369	2.0
123.06397	2.3
123.10071	1.8
124.07592	4.5
125.07965	1.6
127.03915	13.2
129.01866	1.7
131.07301	3.2
132.07751	1.3
136.07600	6.0
137.05977	35.4
138.09132	90.0
139.09489	42.2
140.09775	10.6
143.04921	3.8
145.04919	8.4
146.09656	3.6
147.04398	2.6
149.06032	3.2
150.06726	1.6
150.09164	5.1
151.03967	3.2
151.09520	3.3
152.07053	2.2
152.09778	1.9
159.02911	5.7
159.04300	2.2
160.05135	2.1
164.07112	10.3
165.07394	3.1
166.08658	4.3
167.09015	1.9
169.72812	1.5
173.06018	4.2
174.09166	4.7
175.03917	2.7
175.07542	3.7
175.09528	2.9
176.09663	2.0
177.06783	3.1
178.05040	1.6
181.09766	5.3
182.08205	2.7
182.10028	2.7
183.10170	1.4
186.03111	6.6
187.03880	1.8
191.08223	5.0
192.08528	4.8
192.10190	2.0
193.08676	1.5
194.07220	2.8
200.09235	4.1
201.05435	19.4
202.08774	2.7
203.08861	2.1
205.06497	15.7
206.07224	2.0
207.06369	1.9
215.07018	3.2
217.09805	3.9
218.07481	1.8
218.10211	2.5
219.08205	2.3
219.10225	1.6
220.09723	3.0
221.06126	2.2
221.09999	2.0
222.06715	8.4
227.07057	2.9
230.08122	3.0
231.04900	2.7
231.08400	2.7
233.06009	14.3
233.08078	2.5
234.06737	5.3
237.09108	14.0
238.09637	1.8
239.07014	2.8
243.06454	3.1
245.09283	3.3
246.09560	1.5
247.07544	3.9
248.08960	2.5
249.05515	2.2
249.09372	4.1
250.06181	14.1
251.07034	2.7
259.10040	2.3
261.05594	2.6
261.08755	11.7
262.06317	3.2
262.08936	14.5
263.06827	1.8
263.09436	8.5
264.07822	4.9
265.08597	36.7
265.11304	2.4
266.09143	2.9
267.06570	4.1
273.09509	1.8
275.07074	1.7
277.05148	2.7
277.08429	4.8
278.05725	7.8
279.06512	3.2
279.10028	2.0
282.08932	3.6
285.08615	1.5
287.10049	3.2
288.10489	1.5
289.08459	1.7
292.07263	15.7
293.08084	28.4
294.08682	4.5
295.05984	2.2
297.11261	8.0
305.08246	2.6
305.11386	6.4
306.11542	2.0
307.06055	2.1
307.09595	32.4
307.12689	2.3
308.09760	1.7
308.13101	4.0
309.07651	1.8
310.08286	4.8
310.13925	1.7
311.08929	1.5
313.08276	3.2
314.08664	1.8
325.10690	100.0
326.11011	6.4
331.09366	2.4
332.09720	3.9
333.10065	1.4
337.10806	9.8
341.08340	1.3
343.11783	44.8
344.11926	1.8
345.11145	2.5
347.09052	3.3
349.10663	12.7
355.11905	7.5
359.08673	1.5
361.10550	4.1
363.12204	1.5
367.11859	3.5
373.10748	2.0
379.11740	2.7
387.12033	1.9
391.11703	5.0
393.17026	2.0
399.17319	4.4
400.18066	5.1
401.18640	3.3
408.19171	1.5
409.17764	2.7
415.11844	13.9
426.20221	3.8
433.12778	4.0
435.17465	2.6
436.17648	2.6
437.17624	2.6
446.21893	2.0
453.18179	3.3
454.18448	1.9
455.19379	3.3
456.20349	3.2
457.20706	2.4
470.18372	2.1
471.19269	5.7
472.19797	7.7
473.20239	9.0
474.21689	3.7
475.21912	3.0
481.17957	3.7
482.18170	5.4
483.18503	7.2
519.12860	2.5
537.13647	4.7
546.26788	2.4
555.14325	2.0
574.25702	2.8
590.26617	1.7
591.26746	3.8
592.27338	12.3
602.26215	1.8
608.27362	2.5
610.28308	3.2
619.27020	2.9
620.27124	16.4
621.26324	2.5
637.35620	16.3
638.27307	3.6
638.36200	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.2
55.01874	15.3
55.05514	32.3
56.27059	1.4
57.03437	14.0
57.07080	4.1
59.05007	3.5
65.03941	4.4
67.01022	1.6
67.05506	59.3
69.03440	3.6
69.07069	17.8
69.71020	7.9
71.01382	2.1
71.04987	5.8
71.08624	13.4
71.08897	1.2
71.61664	1.5
77.03947	2.1
78.52199	1.3
78.99454	1.6
79.05491	61.8
80.05798	2.3
81.03415	16.8
81.07053	58.0
83.01353	11.4
83.04977	24.1
83.08620	15.7
85.02911	7.0
85.06545	9.4
86.09729	2.8
91.05482	73.3
93.07047	63.2
94.07372	2.5
95.04968	14.4
95.08607	28.9
97.02911	2.6
97.06531	17.3
97.10168	5.9
99.04462	4.9
99.08081	10.3
102.05476	1.6
103.05461	1.7
105.07030	45.4
107.04966	13.2
107.08592	32.3
107.96990	1.7
109.06541	11.0
109.10161	10.3
111.04442	2.8
111.08092	5.3
114.94090	1.8
115.05483	4.2
117.07017	32.2
118.07375	1.8
119.08578	42.6
121.06509	7.0
121.10146	22.5
121.57843	1.5
123.08082	13.9
123.11683	4.0
124.99924	2.1
125.09632	5.6
128.06247	4.7
129.07018	12.5
130.07755	2.7
131.08565	29.3
132.08965	1.8
132.87668	1.5
133.06512	6.4
133.10121	22.8
135.08057	7.2
135.11693	15.3
137.09634	6.8
139.07574	1.6
139.11186	6.6
141.06982	5.0
143.08556	11.3
145.10124	34.9
147.08025	4.3
147.11684	11.5
149.09636	6.1
149.13303	4.6
151.07607	2.3
151.11201	4.0
153.06970	1.7
153.12778	3.3
155.08548	5.8
157.10117	6.7
159.11699	15.2
161.09657	7.2
161.12140	1.6
161.13190	8.1
163.11183	29.8
165.12695	2.2
169.10130	6.1
171.11670	27.5
173.09650	6.5
173.11929	2.3
173.13313	7.3
175.11224	1.8
175.14845	5.8
177.12756	3.7
179.10727	3.5
179.14169	1.5
181.10315	1.7
181.12320	5.3
183.11728	7.1
184.07350	11.8
185.13281	12.9
187.11139	3.5
187.14883	7.0
189.12784	5.0
191.10695	4.0
191.14323	2.2
197.13263	2.0
199.14899	2.2
201.12711	2.6
201.16402	6.0
203.14272	8.0
205.15892	2.7
209.11732	11.2
211.14828	2.8
219.17488	2.5
227.12749	8.3
231.17580	1.7
243.21059	2.3
253.14272	2.6
255.15848	2.6
257.19019	2.2
257.22699	2.4
267.21164	7.7
269.17523	3.9
275.20038	2.8
277.21753	2.0
283.15405	100.0
284.15692	4.4
285.17184	2.4
285.22156	18.0
286.22330	1.8
291.19550	2.3
295.19028	9.2
303.23193	7.6
309.16956	6.3
311.14920	2.1
338.44275	1.8
351.25229	3.8
377.26904	6.7
420.19122	2.0
449.19449	1.9
503.30005	65.1
504.30444	7.4
505.31821	3.4
550.25354	2.6
569.27789	1.9
578.24451	5.6
579.25586	2.3
585.38037	8.5
597.27344	8.7
620.25433	3.0
621.26819	4.9
621.40271	2.4
638.26776	25.5
638.37744	2.8
639.27209	7.1
639.34802	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	638.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.2
55.01866	6.6
55.05513	72.4
57.03439	17.7
57.07079	25.1
65.03931	3.1
66.58501	1.8
67.05506	71.7
69.03423	3.5
69.07069	81.3
71.04987	6.6
71.08636	16.0
79.05494	56.2
81.03410	7.0
81.07054	80.3
82.07411	3.2
83.04969	12.4
83.08624	60.6
85.06524	3.0
85.10171	5.6
89.06042	2.3
91.05483	50.3
93.07042	57.1
95.04971	15.9
95.08611	35.6
96.08959	2.3
97.06549	16.2
97.10175	35.5
103.05461	2.1
105.07034	39.1
107.08588	33.8
109.06501	5.6
109.10146	16.1
111.08104	6.2
111.11728	11.5
115.05456	2.3
117.07026	21.4
119.08572	23.1
121.06496	4.0
121.10148	17.5
123.08092	5.5
123.11697	4.2
125.09675	2.5
129.06996	4.8
131.08582	19.5
133.10135	26.1
135.08052	5.2
135.11684	20.7
136.12112	2.7
137.09666	3.0
139.11183	2.6
143.08603	3.6
145.10118	13.9
147.11729	11.8
149.09630	6.0
149.13205	11.9
151.11255	4.2
155.08575	3.0
157.10117	5.1
159.11673	11.7
163.11211	7.7
171.11823	3.0
173.13258	5.7
177.12862	2.3
181.12251	2.7
195.13864	6.6
229.19585	3.3
237.22162	5.3
239.17940	2.8
253.14258	2.7
255.15965	8.6
257.19077	4.7
269.17480	11.4
275.20071	23.6
291.19434	3.3
311.25793	80.3
311.29443	4.1
312.26199	6.3
313.27335	3.8
349.23779	18.8
491.37335	27.2
492.37637	5.0
505.38876	100.0
506.39139	17.5
520.37085	2.9
545.41229	2.5
546.25238	4.3
581.63446	2.5
585.45331	12.3
603.46045	4.7
606.27875	2.8
638.30383	5.7
638.48322	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	638.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	5.3
55.05511	20.4
57.03443	9.3
57.07080	30.7
67.05174	3.5
67.05509	33.0
69.03432	9.9
69.07067	33.2
71.08634	21.2
79.05492	17.5
81.03439	3.7
81.07066	29.0
83.04984	2.8
83.08612	11.4
85.10180	10.4
89.06013	2.3
91.05497	17.6
93.07037	15.0
95.04967	7.4
95.08609	26.5
97.02908	9.0
97.10168	17.0
98.22541	4.4
100.10567	2.5
102.32825	2.2
105.07034	14.2
107.04963	6.5
107.08596	11.8
109.06557	3.5
109.10146	18.2
117.07023	10.3
119.08601	9.0
121.06511	3.5
121.10186	6.7
123.08102	3.4
123.11725	3.9
125.09636	8.6
129.07036	4.6
131.08577	9.3
133.10126	12.9
137.09630	3.4
141.79919	2.3
145.10173	5.6
147.08099	4.5
149.09612	3.1
151.11221	3.6
159.11723	4.1
161.09702	2.9
180.04100	2.4
223.13326	15.9
227.12840	3.6
249.14894	3.4
253.14333	9.4
273.18542	14.7
291.19540	100.0
292.19849	7.9
311.25894	2.8
313.27353	63.8
314.27887	6.0
340.55533	2.4
347.22446	2.8
365.23203	39.4
366.23190	3.9
439.56165	2.5
503.82968	2.3
603.46222	49.0
604.46094	6.2
639.50146	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67159	0.7
55.05508	1.9
57.07067	1.3
67.05508	4.2
67.28562	0.7
69.07072	1.7
71.08631	1.1
79.05505	1.7
81.07065	3.7
83.08636	1.2
86.52235	0.7
88.88213	0.7
91.05463	1.4
93.07051	2.7
94.39806	0.7
95.08627	2.4
97.02915	0.8
98.23362	1.5
105.07050	1.7
107.08595	1.1
109.10114	1.0
117.07064	1.5
119.08611	0.9
121.10180	1.5
129.07053	1.1
131.08589	1.4
145.10188	1.0
147.11708	0.8
211.12361	1.0
221.10724	0.9
223.12415	0.8
237.13951	1.0
281.97598	0.8
291.19638	2.5
312.22501	0.8
313.27423	1.8
365.23209	0.8
375.16257	1.2
377.17627	2.5
378.18359	1.6
379.19211	1.0
389.18057	1.3
390.18375	3.3
391.19211	8.5
392.19867	6.4
393.20807	1.8
403.19611	2.7
404.20166	2.5
405.20758	14.0
406.21408	8.2
407.22327	18.6
408.22897	1.4
410.47845	0.8
417.20981	2.1
418.21481	1.9
419.22403	6.9
420.23236	7.5
421.17770	0.9
421.23877	23.8
422.17804	1.3
422.24542	5.7
424.23114	1.0
431.22806	1.7
432.23550	1.2
433.24530	5.1
434.24997	3.8
435.18079	2.3
435.25464	2.2
436.18915	4.1
437.19620	1.1
445.20209	3.0
447.20767	1.2
447.25574	3.0
448.26492	1.7
449.19720	2.4
450.20718	2.8
451.21301	21.9
452.21930	7.3
460.22769	1.5
461.23456	2.6
463.21301	2.6
464.22354	1.8
465.22882	35.1
466.23431	5.7
473.19873	2.7
474.20764	1.4
475.21497	3.1
475.25922	0.9
476.22168	1.7
477.22983	2.3
478.23666	2.9
479.24365	3.0
480.24579	0.9
487.21338	3.4
488.21823	3.1
489.23126	2.4
491.20926	3.1
492.21091	1.5
492.25983	1.0
493.26178	4.5
501.22913	3.6
502.23450	2.0
503.24448	18.5
504.24966	3.0
505.21808	1.2
507.27643	14.4
508.28159	6.5
521.25500	1.1
523.23315	6.5
533.25641	2.0
535.27075	21.4
536.27484	3.9
537.24982	17.6
538.25476	2.0
551.26581	9.0
552.27313	32.1
553.27795	6.2
561.25220	6.3
562.25293	1.4
579.25684	10.4
580.26788	5.8
593.27814	1.2
595.29303	9.7
596.29041	1.1
603.45673	0.9
621.27136	23.3
622.27191	3.3
638.48669	1.3
639.28119	100.0
640.28522	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.281
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
51.65250	0.3
55.01871	1.1
55.05512	1.4
57.03423	0.9
58.29705	0.4
67.05518	1.9
69.07069	1.7
71.08639	0.8
71.29794	0.5
79.05499	2.8
81.03432	0.6
81.07070	2.6
83.01331	0.4
83.04974	0.8
83.08607	0.9
91.05479	3.0
92.05849	0.5
93.07058	2.7
94.91814	0.4
95.04970	1.4
95.08619	1.5
97.06541	0.9
99.08121	0.8
105.07020	1.7
107.05009	0.8
107.08607	1.2
109.06557	0.6
109.10156	0.5
115.05450	0.6
117.07034	1.6
118.07379	0.7
119.08595	1.7
120.08147	0.4
121.06584	0.4
121.10161	1.1
122.92531	0.3
123.11802	0.4
125.09612	0.4
129.07014	0.9
131.08600	1.3
133.10095	0.9
135.08075	0.5
141.07016	0.5
143.08626	0.4
145.10178	1.0
147.11720	0.6
155.08478	0.5
161.09569	0.4
164.11491	0.5
177.12625	0.4
184.07408	0.9
204.06688	0.8
227.11671	0.4
249.10297	0.5
250.10548	0.3
253.13396	0.5
267.11154	0.4
267.21106	0.4
273.18362	0.7
275.20190	1.1
283.15619	0.8
284.15906	1.0
285.16122	0.8
291.19531	1.0
312.14786	0.5
314.12958	0.5
316.14493	0.5
326.12799	0.5
328.14539	0.6
377.17847	0.4
391.15585	0.5
393.16928	0.9
393.21179	0.9
394.21933	0.4
402.18512	0.4
405.17068	1.0
406.18076	1.2
407.18604	2.1
415.18539	0.4
418.17853	0.6
419.14258	0.8
419.18912	1.1
420.19507	1.2
421.15775	0.6
421.20425	6.1
422.21115	1.7
423.21725	0.9
431.19125	0.6
432.19333	0.5
433.20288	1.6
434.16992	0.9
435.17310	2.8
436.23044	1.7
437.23270	0.8
446.21619	0.4
447.22202	1.2
448.18631	2.3
449.19638	9.3
449.25140	0.7
450.20294	3.4
451.20959	0.8
459.18158	1.1
460.19046	0.7
461.19931	1.5
462.20706	1.0
463.21683	4.9
464.22150	5.9
465.23303	0.9
473.19327	0.5
474.20679	0.8
475.21378	2.1
476.22382	0.6
477.18753	5.6
478.19604	3.1
479.20718	1.0
481.22968	0.5
489.19254	0.5
491.20685	1.5
492.21429	1.2
493.22388	1.6
495.24088	0.7
504.30243	0.4
505.22513	1.1
507.24054	1.2
509.25406	1.1
518.22552	0.4
521.22180	0.9
522.22192	0.6
523.23187	2.4
533.22321	0.8
535.23871	3.2
536.24219	1.4
537.21747	1.4
549.21210	0.5
550.25342	1.0
551.26807	2.7
561.24780	4.3
562.25604	0.7
564.23639	4.0
565.24481	3.3
569.27698	0.7
579.26007	8.8
580.26318	1.4
581.24097	0.9
589.24158	0.6
592.23517	0.6
595.25446	3.4
596.26251	1.5
597.26941	2.1
607.25885	1.1
610.27637	0.8
611.28363	1.0
621.26917	5.2
621.36786	0.5
621.41412	0.5
622.27191	0.7
624.25732	5.4
625.25861	0.8
639.28101	100.0
640.28455	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	639.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.01881	2.1
55.05512	5.0
55.50082	0.8
56.62625	0.9
57.03427	1.6
57.07083	1.0
58.84403	0.8
61.02932	2.3
65.03938	1.4
67.05503	6.3
67.23113	0.8
69.03416	1.0
69.07065	4.2
71.08618	1.8
71.26617	0.9
79.05500	9.2
81.03402	2.0
81.07055	7.3
83.04995	2.1
83.08624	1.7
85.02914	2.2
87.53860	0.8
88.07636	0.9
91.05490	8.1
93.07038	7.0
95.04984	2.2
95.08622	4.5
96.77278	0.9
97.02881	2.0
97.06549	2.5
97.10188	1.0
97.54763	0.8
99.04365	0.8
103.05458	1.0
105.07029	6.5
106.23347	0.9
107.04970	2.5
107.07323	1.3
107.08598	5.2
108.08119	1.4
109.02876	1.2
109.06522	2.2
109.10168	2.7
115.47142	0.8
116.04990	1.5
117.07042	3.8
118.06551	1.1
119.08602	3.6
120.04492	2.2
120.08105	10.5
121.06480	1.0
121.10175	2.0
122.09684	2.2
125.09584	1.3
127.03925	1.7
129.07030	2.0
131.08595	3.5
133.10152	2.5
135.08078	1.6
135.11700	1.6
141.07002	1.2
143.08528	2.1
144.04449	2.2
145.10159	1.9
145.77208	0.9
146.05992	3.4
148.07574	2.8
149.09641	1.4
150.09148	1.5
157.10143	2.3
159.08057	0.9
159.11685	2.1
162.05533	1.3
163.11208	1.9
169.10143	1.1
171.11702	1.7
172.03922	9.8
172.07513	1.0
173.13304	1.3
184.07410	1.0
184.10136	0.8
185.13289	1.6
187.08717	1.5
187.11169	1.0
196.07399	1.1
196.09921	1.0
197.10713	1.7
204.06544	11.2
204.08066	0.9
207.09233	1.0
209.10699	1.6
211.08702	1.9
211.12245	1.2
212.09349	1.4
221.10811	1.4
222.07704	1.2
225.10263	4.4
227.11720	7.5
235.08710	1.8
236.09480	2.1
237.10265	3.2
239.11731	1.5
247.08670	1.3
249.10248	6.0
250.11052	1.6
251.08124	2.0
251.11829	4.3
253.09700	2.4
253.13478	2.6
255.11238	1.3
256.26346	1.3
257.19052	1.6
263.11926	2.5
264.08969	1.2
265.09595	1.7
267.11374	0.9
273.18564	2.5
275.20114	3.9
277.09827	2.7
279.11359	4.5
281.12857	1.3
285.12375	4.2
291.19498	6.0
295.10730	1.0
297.12500	1.2
299.14285	1.2
300.11368	1.0
301.15485	1.3
302.13336	1.3
309.12408	2.1
311.14063	3.8
313.12427	1.6
314.12866	3.0
314.27951	1.4
315.13898	1.4
325.12137	2.5
326.12723	2.8
327.13855	2.2
328.10980	1.2
328.14496	3.9
329.15323	1.5
330.12323	1.2
337.12286	0.9
338.12894	1.0
339.13583	3.8
340.14206	2.0
341.11526	1.7
341.15289	2.1
342.12396	6.2
342.16241	3.1
343.12976	1.4
343.16711	1.3
351.13522	1.2
352.14603	1.1
354.12469	2.9
354.16296	2.2
355.13242	3.5
356.13962	4.3
356.17761	2.2
357.14807	3.3
358.15543	1.9
367.13342	1.0
368.13812	5.2
369.14920	2.8
370.15543	6.9
371.16458	1.3
382.15891	1.9
383.16425	3.6
384.12961	1.0
384.17264	5.8
385.14124	1.2
386.15228	1.6
394.15338	1.2
396.13293	1.6
398.14581	2.0
399.15381	1.3
400.16562	1.5
401.17511	1.4
405.17636	1.9
410.15030	3.5
411.10443	1.2
412.16486	3.3
417.17197	1.4
419.14658	2.1
420.15521	1.7
421.20599	1.4
426.17920	3.1
429.17313	1.3
430.17480	2.4
433.16803	3.0
434.17160	1.4
435.17969	2.1
442.17712	3.1
444.19196	11.0
445.19528	2.5
447.18134	2.0
449.19525	7.2
463.21829	4.3
464.21988	2.6
465.23068	1.3
470.16977	5.9
477.22906	2.9
491.25262	1.4
501.22717	1.2
502.19583	2.3
504.21259	1.5
519.24133	1.3
551.26605	19.7
552.26581	3.0
562.25092	1.2
565.24146	1.5
569.27869	1.0
579.26044	19.2
580.26855	2.0
589.24414	2.8
597.27234	2.6
607.25446	12.6
608.25818	2.1
611.28601	83.2
612.28912	11.3
621.27100	4.4
621.41473	2.5
639.28033	100.0
639.43945	8.1
640.27338	12.7
641.58582	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.2
55.05513	1.7
57.03444	1.7
65.03939	0.8
67.05505	5.3
71.29153	0.7
74.94135	0.7
79.05492	5.3
81.03435	2.7
81.07053	3.9
83.04983	1.4
83.08621	1.3
85.02915	0.9
85.06515	0.7
91.05480	6.6
93.07059	4.3
94.06584	1.1
95.04969	2.7
95.08620	1.8
97.06552	1.1
103.05421	1.0
105.07033	4.6
106.06587	1.1
107.07363	1.1
107.08615	2.3
108.08134	2.3
111.08105	1.0
117.07060	2.7
119.08586	3.0
120.04482	3.2
120.08103	9.0
121.10178	1.2
122.09689	3.3
129.07014	3.0
131.07318	0.8
131.08606	2.6
133.10088	1.5
135.08060	0.9
135.11659	0.9
143.08566	1.2
144.04466	1.4
144.08067	0.8
145.10141	2.2
146.06032	2.9
147.11774	0.8
148.07587	3.2
150.09174	2.6
155.08586	1.0
157.10164	0.7
159.11661	1.4
169.10139	0.9
172.03943	8.7
172.07651	1.2
173.07161	0.8
184.09959	1.1
187.08725	1.3
190.05103	1.0
191.63469	0.8
193.12106	0.9
197.10785	2.3
198.11446	1.2
204.06560	12.2
209.10822	1.2
211.08730	3.7
212.09364	1.1
221.10620	1.1
223.08710	1.9
223.12343	1.5
225.10242	4.5
225.13950	1.1
226.10817	1.2
227.11794	6.7
235.08717	2.1
236.09590	2.1
237.10239	3.5
239.08295	0.9
239.11789	1.0
247.08824	1.5
248.09535	1.1
249.10226	6.9
250.10989	1.7
251.08221	0.8
251.11826	3.8
253.09691	2.2
253.13391	3.4
261.10266	1.2
263.08417	1.5
263.11880	2.3
264.09036	1.5
265.09793	1.4
266.10602	0.8
267.07861	0.8
267.11285	1.5
277.09857	2.1
279.11255	5.0
280.11694	1.2
281.12994	1.0
285.12512	3.9
285.17047	1.6
297.12558	1.8
298.13336	1.5
299.14209	1.4
300.11365	1.7
301.12320	1.2
301.15649	1.4
306.00659	0.8
307.10828	3.3
309.12469	2.6
311.10938	0.9
311.14053	3.4
312.11542	1.4
313.12595	1.3
314.13052	4.1
314.16351	0.8
315.13748	1.4
324.14777	1.1
325.12213	2.5
326.12967	3.2
327.10269	0.8
327.13800	3.4
328.10919	1.5
328.14539	5.0
330.15878	1.7
331.13803	1.0
338.12924	1.2
338.16449	1.1
339.13345	4.0
340.10776	1.5
340.14529	3.7
341.15244	2.0
342.12451	7.2
342.16168	3.7
343.13110	1.7
344.14209	1.3
352.14407	1.6
353.11594	1.3
354.12460	3.6
354.16165	1.8
355.13013	3.7
355.17102	1.0
356.13980	6.2
356.17780	2.3
357.14584	3.4
358.15625	2.2
364.14346	1.3
366.12244	1.6
366.16254	1.4
367.13440	1.7
368.14047	3.2
369.14587	2.6
370.15500	6.5
371.16251	2.6
372.17172	0.9
379.13171	0.9
382.15530	3.4
383.16452	4.0
384.13062	0.8
384.17313	6.2
385.18179	1.7
386.14810	1.5
391.15759	1.6
396.13358	1.6
397.14294	1.3
398.15067	2.5
399.15970	2.1
400.16635	1.2
401.17615	1.1
410.15015	2.4
411.15924	0.9
412.16788	4.1
413.17084	1.2
414.18158	1.0
416.15796	0.8
419.14438	1.2
419.19394	1.8
420.15692	1.0
426.18140	3.6
429.16650	0.9
430.17523	3.8
431.18146	1.2
433.16074	3.5
434.17484	3.0
435.17645	3.6
436.18909	1.2
438.14890	0.8
442.17685	3.6
444.19260	12.9
445.18875	1.0
447.18045	1.5
449.19556	7.0
450.20496	1.8
460.19739	0.8
463.21756	2.6
464.22528	1.3
470.17075	4.7
471.17740	1.2
472.18817	2.1
477.23730	1.9
491.25159	1.1
492.21924	1.3
502.19736	2.6
504.21588	1.9
504.29272	0.9
507.20233	1.0
519.23621	0.8
521.21997	1.8
529.22552	0.8
533.25073	1.8
535.22754	1.0
536.23944	1.1
537.24957	1.0
547.23547	1.3
551.26642	20.3
552.26581	1.7
557.22388	0.8
561.24738	1.0
565.24554	1.1
579.25970	20.9
580.26147	2.9
589.24420	3.9
597.26727	1.3
607.25482	12.8
608.25671	1.4
611.28619	82.7
612.28815	9.9
621.27075	3.6
639.28094	100.0
640.28333	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	639.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21474	0.5
55.01855	0.5
55.05510	1.4
57.03439	0.7
58.06593	0.7
67.05508	3.0
68.85453	0.5
69.07067	1.4
69.36082	2.6
71.08674	0.5
79.05493	2.4
81.03394	0.6
81.07056	2.6
83.04982	0.7
83.08640	0.6
86.09730	0.9
91.05473	2.1
93.07038	2.0
95.04935	0.5
95.08597	2.0
105.07022	2.6
107.08572	1.1
109.10142	1.4
117.07010	1.0
119.08577	1.2
120.08112	0.6
121.10130	0.8
131.08546	1.2
133.10136	1.0
145.10120	0.8
159.11682	0.6
163.11234	0.5
184.07370	1.6
199.08612	0.7
209.10715	1.9
210.11555	0.8
211.12331	0.8
213.06537	0.5
219.17436	1.9
221.10707	1.7
222.11496	0.9
223.12259	3.4
224.13069	1.7
225.06625	0.7
225.13843	2.3
232.09735	0.6
233.10693	1.2
234.11404	0.9
235.08705	0.5
235.12314	2.5
236.13049	1.9
237.13835	4.7
238.14557	3.3
239.08258	0.8
239.15408	2.4
245.10783	0.7
246.11514	1.0
247.12265	1.2
248.12993	0.8
249.10268	0.6
249.13852	2.2
250.14728	1.3
251.11816	1.6
251.15457	3.4
252.16016	0.7
253.09726	0.6
253.16908	0.8
261.13867	2.4
262.14587	1.1
263.11786	0.9
263.15436	0.7
264.12567	1.0
265.13263	0.9
273.18530	0.6
275.15500	1.0
275.19998	0.7
277.13324	1.4
279.14862	2.7
290.16458	0.6
291.19565	0.8
293.21176	0.6
299.10272	2.0
300.11130	0.6
312.14801	0.9
313.15671	0.6
314.13074	0.7
314.16620	0.6
318.50723	0.6
324.15109	0.8
328.18100	0.6
330.16034	1.0
335.64313	0.5
338.16779	0.8
347.14093	0.6
350.16232	0.8
351.16040	0.7
352.14188	0.7
352.17981	0.8
354.15936	0.7
362.16367	0.7
364.17700	1.0
365.17938	1.1
367.19141	0.6
376.13937	0.6
377.18048	1.2
378.19080	1.1
379.19281	2.1
389.17960	0.7
390.15591	0.8
392.20654	1.0
393.17035	1.8
393.21396	0.9
394.17523	0.5
395.18451	0.7
400.20319	0.6
405.16876	1.2
406.17825	1.1
407.18579	2.6
408.19385	1.7
409.20132	1.7
410.20737	1.8
417.17050	1.1
418.17841	0.7
419.14536	0.8
420.15106	0.7
420.19992	1.0
421.20297	1.9
422.21301	3.3
423.21951	3.7
431.18472	1.6
432.18616	0.8
433.16016	0.8
433.20764	0.8
434.17343	1.7
435.18130	2.1
436.18488	1.1
437.19427	0.6
445.20578	0.9
448.19144	0.9
449.19370	2.5
450.20532	2.3
451.21075	1.9
452.22061	1.1
459.17569	0.7
460.21310	0.5
462.20901	0.6
463.16748	1.1
463.22076	1.0
465.22876	1.2
467.20718	1.5
468.21628	1.4
473.19852	0.6
474.20215	0.8
475.21500	1.4
477.23120	1.0
478.19946	1.7
479.20959	1.6
480.21695	0.8
481.26944	2.5
482.23041	1.1
483.23822	1.2
492.22043	1.2
493.22382	1.0
494.23712	3.3
495.23755	1.9
496.24356	2.1
503.24432	0.8
509.25656	17.9
510.26038	2.4
519.24219	2.4
520.23199	0.6
521.22137	0.7
522.22864	1.7
523.23303	1.1
526.26288	0.9
535.26617	1.8
536.24042	1.7
537.25134	13.9
538.25226	1.7
541.28113	0.8
547.23047	1.7
550.22034	0.8
551.26599	5.4
552.25269	0.7
553.24023	0.7
561.24774	3.5
562.25049	1.1
563.26013	1.7
565.24481	15.9
566.24512	1.9
567.29895	2.5
569.27539	17.3
570.27557	2.0
579.25812	5.0
589.24219	0.9
596.26434	2.4
597.27045	100.0
598.27325	14.1
607.25537	6.9
608.25562	1.1
611.28644	13.5
612.28510	1.7
621.27014	6.9
622.27704	2.6
639.28131	23.6
639.39813	2.7
640.28326	2.6
643.55896	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2809
Annotation	Cucurbitacin B 2-sulfate
Peak:m/z	Relative Intensity
55.01862	1.9
55.05506	4.7
57.17786	1.9
60.08163	4.2
67.05505	10.4
68.29536	2.0
69.07052	5.7
70.44144	4.7
79.05496	17.1
81.07056	12.6
86.09715	17.2
91.05483	10.7
93.07030	10.5
95.08595	4.7
97.06510	5.0
97.10170	3.9
105.07025	8.7
106.06552	3.1
107.04974	3.8
107.08585	1.9
109.10143	2.9
117.07027	2.8
118.06545	2.3
119.08566	7.7
120.08135	2.6
121.10075	2.1
125.00005	11.4
131.08517	5.5
133.10124	6.6
134.06003	35.8
145.10068	2.5
147.11700	3.4
147.28401	2.0
152.07037	5.9
159.11700	2.1
172.03940	9.7
184.07344	49.9
185.07649	4.2
204.06619	15.9
210.11417	3.7
223.12296	3.3
225.13855	6.0
235.08629	4.1
235.12300	2.7
236.09364	3.8
236.14992	2.3
237.10226	4.5
237.13875	5.7
238.14758	2.6
249.10281	6.8
250.10797	3.9
263.08200	3.6
265.09824	3.5
273.18576	2.1
275.20148	6.7
277.09698	7.2
279.11304	2.9
279.15079	2.2
283.15265	2.1
288.11554	2.1
291.19519	7.0
307.10733	3.6
309.12326	3.7
311.13901	3.2
314.12949	3.1
322.54422	2.1
323.10312	2.7
325.11887	3.6
328.14371	3.4
337.11826	20.2
338.12128	3.8
339.13327	10.0
340.14194	3.7
342.12421	2.7
342.16061	3.5
356.17664	2.9
358.15240	4.5
366.15860	3.4
386.15030	4.0
389.17844	2.3
400.16550	2.3
402.18719	3.2
403.19534	2.5
412.16788	2.6
416.15799	3.1
423.21750	2.9
429.16785	3.5
430.17618	3.7
431.18387	4.1
433.19867	3.4
435.21667	3.7
443.19046	3.3
444.19342	8.6
445.20517	3.5
446.20648	5.8
447.21814	3.7
449.19467	3.5
459.21878	6.6
460.22827	3.4
461.19473	2.8
472.18539	17.9
473.23645	4.1
474.20038	14.8
475.20917	6.1
481.28625	2.4
487.21265	9.2
488.21835	3.6
500.18170	19.1
501.22882	6.5
504.21548	2.5
506.22891	24.3
507.22562	3.2
509.25110	7.7
515.20819	2.6
518.19281	2.6
519.24188	4.3
529.22461	2.6
532.20746	20.4
533.26007	10.1
534.23309	2.3
537.24481	3.4
547.23175	4.3
551.24634	2.1
561.24957	100.0
562.25464	12.0
565.24396	7.1
569.27551	8.4
571.67743	2.4
579.26385	11.6
580.25897	3.4
589.24658	10.5
597.27002	35.0
598.27155	3.4
607.25189	9.3
608.25537	2.5
611.28296	8.3
621.27051	84.5
621.37305	4.6
622.27289	13.6
639.27686	83.3
639.40405	27.8
640.27844	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	639.2811
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
50.53911	0.8
50.62017	0.9
51.87392	0.9
55.01892	1.0
55.05512	2.3
57.07079	2.3
67.05498	3.6
69.07050	2.6
71.08611	1.3
71.28649	1.6
77.39365	1.0
79.05495	2.5
81.07072	2.5
91.05491	2.0
93.07051	2.1
95.08588	2.5
97.10173	1.2
107.08591	1.0
109.10156	1.1
111.11716	1.3
117.07003	1.1
120.96648	1.1
121.05619	1.0
127.71716	1.1
188.12262	1.1
311.21463	1.0
351.54843	1.2
377.17191	1.4
389.18118	1.5
390.18634	2.0
391.19318	3.0
392.20105	2.0
403.19293	1.1
404.20386	1.2
405.20865	10.5
406.21460	6.5
407.22131	1.8
416.19937	1.0
419.22467	3.1
420.23105	5.6
421.23944	3.9
433.20270	4.2
435.18423	1.6
436.18848	3.3
445.20712	1.3
449.19257	1.4
450.20526	2.3
451.20956	2.3
452.22107	4.3
460.22787	2.0
465.22849	29.4
466.23300	3.3
467.37149	1.2
475.25583	1.3
477.26578	2.2
478.23480	1.2
479.24423	4.9
480.25180	3.8
487.21051	1.4
488.22125	1.7
492.21741	2.4
493.26096	2.7
502.23807	1.3
503.24500	16.4
504.24701	3.6
505.22308	1.5
521.25421	11.9
522.25494	1.4
537.24969	5.4
541.34796	9.7
542.35278	2.0
547.23596	1.8
565.24481	39.0
566.24609	6.5
580.26794	21.6
581.27319	1.8
607.25317	15.8
608.25653	2.7
608.45306	1.7
621.26831	2.3
639.28064	100.0
640.28430	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	639.2815
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
51.30854	0.8
55.05514	1.4
64.23782	0.9
67.05511	2.7
70.43584	2.6
71.08645	1.0
71.46473	0.9
79.05492	2.7
81.07047	1.8
83.08607	1.2
91.05486	2.1
93.07005	1.5
95.08637	1.8
105.07032	1.4
127.35813	0.9
236.14905	1.7
373.14935	1.2
376.17178	1.2
377.17453	1.1
387.16483	1.1
388.17316	1.6
389.17804	2.9
390.18436	3.4
391.19333	1.8
401.17776	2.2
402.18558	2.7
403.19382	3.2
404.20395	5.0
405.20691	3.7
406.21521	1.0
412.16592	1.1
413.17783	1.3
414.18381	1.6
415.19110	2.9
416.20239	2.1
417.20786	3.8
418.17050	1.2
418.21994	2.4
419.22345	3.6
420.23221	2.1
425.54169	1.0
427.19421	2.2
429.21191	1.3
430.22040	1.3
431.18710	3.8
432.18793	1.4
433.19644	6.4
441.21356	1.2
443.22699	1.6
445.20053	1.9
446.20935	3.9
447.21899	6.0
448.22134	1.5
449.19089	1.1
455.18457	2.0
457.24164	2.1
459.22040	3.1
460.22754	1.7
461.19702	2.2
469.19989	1.3
470.21609	1.1
471.22244	1.3
472.18930	1.1
473.19711	4.4
473.24719	1.5
474.20187	2.0
475.21063	6.0
476.21988	1.5
483.21704	2.5
484.22656	2.3
485.24109	2.3
486.20111	1.6
487.21780	6.4
488.22177	7.5
489.22992	1.5
491.19995	5.6
492.21292	1.3
501.22955	6.7
502.24091	6.2
503.24536	1.6
505.26144	1.6
506.26733	2.8
511.21692	1.9
517.22424	2.5
519.24060	3.7
522.22900	1.6
524.23230	1.3
527.24377	1.1
529.22180	1.5
531.24017	2.3
532.24573	1.4
533.25763	5.7
534.26312	8.9
535.26752	1.0
547.22827	1.2
551.23425	2.1
560.24023	1.7
561.24963	49.3
562.25409	9.0
571.23645	5.9
589.24329	10.0
593.27539	2.5
603.25879	3.6
607.25555	1.1
611.25720	1.5
621.27020	100.0
622.27472	14.5
639.28052	70.1
639.37170	2.1
640.28534	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	639.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.01867	0.7
55.05503	1.5
57.03443	1.9
58.06631	0.4
59.04986	0.7
61.02929	3.8
61.36066	0.3
63.73116	0.4
67.05508	7.3
68.05847	0.4
69.03434	3.1
69.07063	0.5
70.32816	0.4
70.33173	0.9
71.01379	0.5
71.04996	0.8
73.02915	3.1
76.70670	0.3
79.05499	2.2
81.03423	2.9
81.07055	2.5
83.01324	0.6
83.04980	1.2
83.08614	1.1
83.50798	0.3
85.02911	5.0
91.03951	2.8
91.05489	3.0
93.07041	2.7
95.04985	1.1
95.08624	0.9
97.02898	3.9
97.06557	0.7
99.04461	0.9
101.02395	1.5
105.07041	0.8
107.04964	1.1
107.08598	1.0
109.02869	0.8
109.06516	0.5
109.10166	6.5
111.04449	0.6
111.08091	0.4
117.07046	0.5
119.08610	1.2
121.10174	0.6
123.08090	0.4
127.03939	1.3
129.07045	0.5
131.08557	0.6
133.10168	0.8
135.08057	0.7
135.11707	0.9
143.82251	0.3
145.10129	1.1
147.11769	0.5
155.10666	0.5
163.11179	1.9
173.11766	1.6
181.12221	0.4
193.12219	0.5
194.21870	0.4
195.09923	0.7
202.47954	0.3
202.77161	0.4
211.13400	0.6
214.78059	0.3
229.14391	1.0
243.08415	1.8
267.16037	0.8
283.15503	0.7
314.30054	0.3
345.87653	0.4
348.99048	0.3
374.69144	0.3
413.17804	7.6
414.18057	0.6
459.27792	0.8
467.18808	7.8
621.32483	0.5
639.29852	100.0
640.30133	13.2
640.40924	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76281	0.3
53.03942	0.9
55.01870	0.8
55.05508	1.9
57.03432	2.4
59.04982	0.4
59.73541	0.3
61.02927	4.8
67.05504	8.0
69.03422	2.7
69.07059	0.6
71.01334	0.4
71.04985	0.9
71.29002	0.4
73.02915	3.4
79.05486	2.3
81.03418	3.3
81.07034	2.4
83.01351	0.5
83.04973	1.3
83.08623	1.4
85.02434	0.4
85.02908	4.5
91.03965	2.6
91.05468	2.9
93.07035	2.7
95.04980	1.2
95.08625	1.1
97.02895	4.6
97.06529	0.8
99.04469	0.8
101.02369	1.6
103.53940	0.3
105.07052	1.3
107.04947	0.9
107.08597	1.2
108.60217	0.3
109.02884	1.1
109.06524	0.5
109.10156	6.6
115.03938	0.6
117.07017	0.8
119.08611	1.6
121.06508	0.6
121.10146	1.0
123.08098	0.9
123.49552	0.3
127.03925	1.3
131.08585	0.7
135.08102	0.4
135.11734	1.0
137.09654	0.4
145.10147	1.4
163.11162	2.3
173.11707	2.1
185.04192	0.7
193.12268	0.4
195.09909	0.6
209.11639	0.6
229.14409	1.2
236.14987	0.4
243.08472	1.7
283.15375	0.7
355.15442	0.6
398.19827	0.3
413.17801	7.8
467.18863	7.0
468.19595	0.7
555.39178	0.4
621.30725	0.4
639.29828	100.0
640.30170	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	639.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89937	0.2
55.05514	2.9
57.05814	0.3
57.07064	1.3
58.06600	6.3
59.34988	0.3
67.05500	1.4
69.03416	0.3
69.07069	1.5
69.56026	0.3
69.62754	1.5
70.06603	0.5
71.08612	0.4
72.08156	12.1
73.06553	1.3
79.05493	1.4
81.07050	1.5
83.04977	1.6
85.06548	0.5
85.08903	0.3
86.09706	20.6
87.10015	0.4
91.05479	1.2
93.07045	1.6
95.04971	0.6
95.08612	0.9
96.62177	0.3
96.62788	0.3
98.06038	0.6
98.09687	0.4
98.23450	0.3
100.11258	100.0
101.06020	2.5
101.11613	2.6
105.07011	0.9
107.04958	0.5
107.08565	0.5
109.10168	0.3
112.11279	0.3
117.07011	0.3
119.08533	0.3
126.09063	0.3
131.08568	0.3
133.10138	0.6
138.12750	0.3
140.14352	3.4
143.08488	0.3
146.11749	2.8
154.12285	1.4
154.15916	0.4
159.11655	0.4
163.11148	0.3
172.13338	2.3
182.11813	0.4
200.16425	1.5
211.14479	0.5
214.14389	0.8
222.12589	0.4
223.12366	0.6
224.75912	0.3
225.13863	0.5
228.15961	7.0
249.19623	0.4
252.09071	0.3
267.14865	0.6
275.20090	0.4
285.21713	5.4
291.19421	0.6
299.23300	7.9
300.23508	0.5
309.21475	0.4
313.21292	0.8
313.27475	0.3
321.24133	0.8
322.24591	0.8
327.22784	13.8
328.23035	0.9
367.25748	0.5
392.20215	0.3
395.25485	0.9
412.31659	0.6
440.31152	2.9
442.15982	0.3
458.32300	5.6
459.32242	0.4
484.33713	0.5
512.32910	0.6
526.34869	0.7
540.37067	0.4
579.25677	0.9
604.39178	0.5
607.25330	1.6
611.27887	1.0
611.43744	28.7
612.43835	4.0
621.26733	0.4
621.42572	0.5
639.27911	7.0
639.42902	8.7
640.28284	1.3
640.43304	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.1
57.03439	6.7
57.07080	5.1
58.06603	35.0
59.06939	0.6
59.07387	10.8
60.08172	8.3
67.05499	4.1
69.07072	2.3
71.08642	2.7
75.04493	2.9
79.05495	4.2
81.07050	3.7
83.08633	2.9
84.08175	0.9
85.02916	1.8
85.10175	1.4
87.04448	3.0
91.05503	1.9
93.07040	4.8
95.08607	3.3
97.10177	1.1
100.11243	0.6
102.05585	1.1
105.05573	0.7
105.07053	1.0
106.72917	0.7
107.08605	0.9
108.36107	0.7
109.10153	1.7
111.09319	0.6
113.06030	1.1
121.10165	1.6
130.08699	1.0
131.07065	1.4
131.08582	0.9
144.10213	15.6
162.11272	4.6
178.87125	0.7
200.12767	0.8
202.96164	0.7
218.13980	1.8
236.14929	81.5
237.15247	3.3
293.62415	0.7
313.27383	1.6
384.23724	5.4
385.24493	0.8
402.24860	10.9
456.36871	5.6
474.37921	11.8
475.38132	1.2
542.35577	1.1
581.24353	1.0
591.79321	0.8
640.47852	100.0
641.48120	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	640.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24142	2.1
53.03938	5.3
55.01872	2.8
55.05511	20.5
57.03445	10.1
57.07077	40.4
65.03938	2.3
67.05505	51.3
69.03412	2.6
69.07067	24.6
70.53021	2.1
71.08634	29.5
71.10095	1.9
79.05497	35.9
81.03421	3.4
81.07058	63.3
83.04971	7.3
83.08628	16.1
85.06550	3.8
85.10181	18.5
86.96656	2.0
87.00508	1.9
91.05484	32.5
93.07043	33.2
95.04977	8.0
95.08051	4.0
95.08610	47.3
97.06539	8.3
97.10153	9.9
99.08083	2.5
105.07044	25.5
107.04980	4.0
107.08601	22.6
109.06538	4.0
109.10159	15.1
111.08076	4.0
114.69848	1.8
117.07029	12.2
119.08587	14.8
120.04327	1.7
121.06476	2.5
121.10141	11.2
123.08080	4.5
123.11706	6.5
129.07008	2.3
131.08574	14.5
133.10130	11.6
135.08038	3.7
135.11697	9.1
137.13297	2.1
141.98059	1.7
143.08563	2.4
145.10124	9.7
147.11699	6.2
149.09616	7.4
149.13248	11.3
157.10120	2.9
159.11696	11.7
163.11165	4.7
171.11615	2.3
173.13252	2.5
177.12732	3.8
187.11137	2.3
195.13808	6.8
239.18063	2.3
239.23726	6.1
248.38533	1.9
255.15977	17.0
257.19022	6.3
257.24677	3.0
269.17456	19.3
275.20038	28.2
276.20416	4.7
283.49448	2.5
313.27356	74.9
314.27747	5.7
349.23755	16.1
350.24072	3.2
419.82846	2.1
465.01001	2.0
493.38910	18.0
505.38690	4.2
507.40451	100.0
508.40823	12.3
587.46735	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	640.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.7
55.05513	44.5
56.15488	4.0
57.03437	12.6
57.07087	23.8
57.11175	4.0
57.40005	3.5
67.05507	48.4
69.03420	5.1
69.07074	25.4
69.66428	18.0
70.06566	5.8
71.08631	19.6
74.51605	4.0
74.97581	3.9
79.05498	43.3
81.07053	59.0
83.04986	9.1
83.08619	34.2
85.10166	3.9
87.42896	5.0
90.71197	4.1
91.05471	21.1
93.07051	24.7
95.08620	29.2
97.10170	39.8
105.07030	26.9
107.08585	41.0
109.10185	19.6
111.08083	5.3
111.11678	4.7
117.07006	7.3
119.08585	12.5
121.06494	4.0
121.10148	11.9
123.11655	5.3
125.09614	32.4
128.91414	3.8
131.08546	7.8
133.10123	13.4
135.08118	5.5
135.11673	7.0
145.10129	9.9
147.11676	8.0
149.09555	5.6
159.11678	6.7
165.14957	4.3
189.11244	12.3
227.12769	100.0
228.13097	5.4
243.74825	4.6
257.18924	5.6
275.20047	33.0
311.25842	9.6
313.27380	50.3
349.23758	32.5
402.87827	5.0
427.85577	4.4
483.36838	11.1
505.38702	26.2
566.56567	4.5
587.46667	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59295	1.3
51.02383	1.4
53.03942	4.7
53.64175	1.3
55.01872	3.8
55.05512	46.2
55.84439	1.2
56.05831	1.3
57.03436	9.6
57.07079	28.2
57.42487	1.4
65.03954	1.8
65.93573	1.4
67.05505	55.0
69.07069	48.6
69.09642	8.8
69.79463	1.2
71.04982	3.6
71.08633	19.7
77.03932	1.4
79.05492	34.2
81.03415	4.1
81.07058	53.7
83.04984	10.0
83.08617	32.6
84.08270	1.4
85.06538	1.8
85.10171	9.2
89.06020	3.2
91.05475	28.5
93.07042	34.2
95.04970	9.5
95.08607	24.3
97.06525	7.1
97.10172	21.2
99.08094	4.0
103.05460	1.3
105.04525	2.9
105.07047	17.8
107.08587	22.3
109.06531	3.4
109.10165	17.4
111.08088	3.9
111.11715	5.1
117.07041	7.1
119.08607	12.4
121.06524	1.6
121.10130	10.8
123.08060	2.8
123.11701	5.6
125.09620	4.0
128.06190	1.7
129.07030	2.7
131.08580	8.7
133.08630	2.0
133.10123	11.5
135.08075	2.7
135.11694	9.7
139.11238	2.9
143.08546	2.6
145.10104	4.7
147.11699	6.5
149.05370	1.5
149.09662	2.6
149.13245	8.8
151.11188	4.7
159.11720	8.1
161.13307	2.8
163.11157	4.4
165.12695	2.2
171.11671	1.9
173.13246	2.4
177.12692	3.2
195.13835	6.0
223.89658	1.5
227.12766	7.4
229.14386	5.5
237.22125	3.6
251.16461	2.5
255.15834	1.8
257.19022	3.3
259.20526	2.3
269.17444	5.8
275.20078	11.9
277.21655	7.0
311.25793	28.3
312.26294	2.9
313.27371	28.7
331.22705	1.8
333.24127	1.9
349.23645	6.3
351.25327	9.6
467.37448	11.2
493.38724	3.3
505.38831	100.0
506.39053	12.5
507.40384	5.9
587.46967	11.0
605.48279	2.1
641.43011	2.5
660.09753	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15827	0.6
53.46558	0.7
54.47184	0.7
55.01872	1.8
55.05504	1.6
55.35025	0.6
57.03427	0.8
57.07085	0.7
58.31815	0.6
66.08322	0.7
67.05494	5.8
69.07068	3.3
69.26862	2.7
79.05499	4.4
79.87749	0.6
81.03402	1.1
81.07061	6.3
83.04990	1.4
83.08607	1.1
85.06557	1.0
91.05482	4.5
93.07041	4.4
93.36405	0.6
95.04985	1.1
95.08615	3.0
96.34843	0.5
97.06548	1.8
97.10168	0.6
97.83856	0.6
98.36393	0.5
105.07028	4.9
107.04956	1.4
107.08593	2.5
109.06500	1.2
109.10168	1.4
117.07038	1.9
119.08585	2.7
121.06548	1.0
121.10153	1.8
125.09641	1.2
131.08569	2.4
133.06546	0.8
133.10139	3.4
135.08098	0.7
135.11700	1.4
143.08510	1.1
145.10120	1.9
147.11697	1.5
149.09654	1.2
157.10150	0.6
159.11700	1.5
161.09669	1.1
169.10150	0.7
171.11711	1.0
175.89087	0.7
217.05130	0.7
226.69843	0.6
227.12605	0.9
275.20151	3.4
291.19550	1.7
349.23752	1.3
395.11728	0.8
396.13281	0.8
408.12369	1.4
409.13107	1.1
410.14355	1.1
411.14798	0.8
414.14526	0.9
421.13196	3.5
421.17923	0.7
422.13681	8.3
423.14456	6.2
424.15433	3.1
425.16235	1.1
428.16080	2.1
429.16980	1.4
433.50940	0.6
434.13974	0.8
435.14526	5.0
436.15421	9.4
437.16293	11.7
438.16580	2.8
439.17462	0.9
440.14737	0.9
441.15616	1.1
449.16537	2.9
450.17078	2.4
451.18674	5.8
452.18967	3.2
455.17499	1.1
457.16446	0.9
463.14130	2.0
464.14206	3.8
465.14487	5.0
466.16153	2.3
467.17099	1.4
469.15155	2.8
471.18005	0.8
477.15530	1.8
478.16348	4.6
479.17340	5.5
480.18079	4.9
481.14551	1.0
482.15610	1.4
483.16681	0.8
484.17215	1.2
492.17596	1.4
493.19168	8.1
494.20065	3.2
495.16193	6.4
496.17160	2.2
497.14154	0.7
498.15091	3.2
506.16043	2.2
507.16696	4.5
508.17371	10.6
509.18088	8.8
510.18048	1.2
511.15765	1.3
512.16925	7.9
513.17145	1.5
520.16986	0.8
521.18213	14.5
522.18286	7.1
523.19177	2.3
524.16351	1.1
526.14935	2.7
537.17773	0.9
538.18164	0.7
539.19183	1.9
543.37103	1.1
549.17822	1.8
553.20807	5.0
563.23065	0.9
581.20300	76.7
582.20544	14.5
599.21307	21.5
600.21710	3.7
609.19818	2.6
622.23364	4.6
623.24066	1.3
623.42920	1.9
641.22327	100.0
641.35895	3.2
642.22656	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	641.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05429	1.0
55.05662	0.4
57.03355	0.5
67.05399	2.3
69.06957	1.2
69.59168	1.6
71.04908	0.4
79.05373	2.3
81.06936	2.1
83.04881	0.6
83.08543	0.6
91.05355	2.4
93.06914	1.8
95.04877	0.8
95.08479	1.1
97.06424	0.7
97.10033	0.5
104.70401	0.4
104.71544	0.4
105.06950	0.8
107.04851	0.6
107.08455	1.5
107.09085	0.4
109.06412	0.6
109.10022	1.2
117.06886	1.4
119.08408	1.3
121.10032	0.8
125.09542	0.5
127.11859	0.4
129.06876	0.7
131.08429	1.1
133.09996	0.7
135.11499	0.4
137.09415	0.5
143.08383	0.5
145.10004	0.9
147.11581	0.4
157.09959	0.7
159.11591	0.5
270.06717	0.5
275.20010	0.8
291.19302	0.8
292.19714	0.4
336.58804	0.4
349.23764	0.7
359.21582	0.7
373.47836	0.4
407.11398	1.0
408.12155	1.6
409.13022	1.2
410.14313	1.5
411.14795	0.8
414.14395	0.7
421.12927	3.7
422.13690	8.3
423.14532	5.4
424.15344	2.1
425.16174	1.2
427.15097	0.9
428.15704	0.8
429.16507	1.1
434.13889	0.7
435.14560	5.1
436.15305	8.9
437.16336	11.2
438.16983	3.7
439.17834	1.0
440.14468	0.6
441.15421	1.6
442.17041	0.9
449.16296	2.5
450.17639	3.6
451.17432	5.7
452.18179	2.9
453.16028	1.3
454.12137	0.7
455.17444	1.1
456.16641	0.5
457.15576	0.6
463.13187	2.0
464.14246	4.6
465.14587	6.2
465.20551	0.7
466.15506	3.0
467.17386	1.4
468.18106	0.5
469.14838	2.6
470.15747	0.8
477.15616	1.4
478.16656	4.3
479.17487	4.6
480.18265	3.7
481.14322	0.9
481.18170	1.7
482.15677	1.4
483.16571	1.5
484.17862	0.9
492.18588	0.9
493.19110	9.0
494.20166	3.9
495.16287	6.2
496.16925	1.8
497.15948	0.5
498.14993	3.0
499.15332	0.5
506.15863	1.8
507.16791	3.6
508.17535	9.1
509.18115	9.1
510.15826	1.5
511.15793	0.6
512.16888	7.1
513.17090	1.4
520.17780	0.7
521.18231	15.4
522.18201	6.2
523.16180	1.5
524.17358	0.6
525.17285	1.1
526.14343	2.7
527.15491	0.5
537.17889	0.5
538.18378	1.4
539.19312	2.1
540.15997	0.6
549.17474	1.9
552.20166	0.6
553.20862	3.8
554.20947	0.8
566.18378	0.6
581.20288	73.6
582.20538	13.8
599.21368	18.9
600.21509	3.9
609.19525	3.0
610.19952	0.6
622.22620	4.0
623.23737	1.1
623.43927	0.6
641.22400	100.0
641.35986	7.4
642.22638	19.9
642.35773	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.9
55.05512	3.1
57.03444	0.7
67.05504	6.9
69.03423	0.7
69.07056	3.2
71.04984	0.7
71.08618	0.8
79.05489	6.0
81.03428	1.2
81.07053	6.0
83.04959	1.2
83.08624	1.6
91.05484	4.8
93.07050	6.2
95.04950	2.0
95.08632	3.1
97.06536	2.8
97.10168	0.8
105.07026	6.0
107.04955	1.2
107.08583	2.9
109.06525	0.9
109.10146	1.3
111.08061	0.7
117.07017	2.0
119.08574	4.0
121.06500	0.6
121.10148	1.6
123.08092	0.8
125.09597	0.8
131.08572	2.4
133.10100	3.5
135.08087	0.8
135.11667	1.0
145.10097	1.7
147.11700	1.9
149.09604	1.3
151.11102	0.6
157.10173	0.6
159.11752	1.4
163.11226	1.2
173.13246	0.7
186.30954	0.7
227.12839	0.8
257.19077	0.8
275.20029	4.6
289.17810	0.8
291.19415	0.9
293.21243	0.9
349.23730	1.8
359.21933	1.6
395.12631	0.7
407.11890	0.9
409.12833	1.3
410.14441	1.3
411.15271	1.3
414.14413	0.8
415.24426	1.2
421.12854	3.7
422.13687	9.0
423.14560	5.1
424.15216	2.2
428.16092	1.5
435.14465	5.5
436.15472	7.4
437.16168	11.8
438.17316	3.8
440.15082	1.1
441.15527	1.2
449.16003	2.7
450.17667	4.3
451.18454	6.7
452.18967	3.7
454.16983	0.8
455.16873	1.3
463.13748	1.4
464.14606	4.4
465.14450	5.3
466.16299	2.2
467.17014	1.8
468.14288	0.8
469.15039	1.8
477.15448	1.7
478.16409	3.0
479.17450	5.3
480.18002	3.6
481.19223	1.5
482.15384	1.0
483.16373	1.7
484.17715	0.8
493.19131	9.8
494.14453	1.0
494.19299	2.5
495.16074	6.7
496.17395	3.0
498.15079	3.8
506.15912	2.3
507.16467	2.8
508.17441	10.4
509.18240	7.0
510.18433	1.4
512.16797	8.8
513.17163	1.8
521.18298	16.9
522.18262	6.6
523.14838	0.8
523.20343	0.7
524.16846	1.7
525.16980	1.1
526.14307	3.2
536.18494	0.8
537.17719	0.9
539.19202	2.4
543.36646	1.8
549.17810	2.1
550.18677	1.0
553.20715	4.2
563.22430	2.5
581.20264	73.4
582.20599	12.8
599.21320	19.1
600.21509	3.6
609.19824	2.3
622.22784	5.3
623.25568	2.2
623.43011	2.2
640.42169	1.5
641.22137	100.0
641.36298	16.3
642.22626	20.9
642.34247	1.1
642.38086	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.9
55.05501	2.9
57.03429	1.4
67.05498	6.6
68.55503	1.2
69.07059	1.8
79.05485	5.0
81.03421	1.2
81.07059	4.9
82.07725	1.0
91.05476	5.7
93.07062	4.1
94.06547	1.5
95.04956	2.0
95.08598	2.2
98.22650	3.2
105.07018	3.4
107.08582	2.2
117.07003	1.9
119.08578	1.9
120.04467	4.3
122.06037	3.6
131.07332	1.3
132.08102	1.3
133.10156	1.5
134.06020	1.6
143.08492	1.7
145.10106	1.4
146.06018	1.9
146.09578	1.1
159.11612	1.3
160.07596	2.0
167.07443	1.2
172.03850	1.7
173.10771	2.7
174.09094	1.9
186.09186	1.5
187.08656	2.6
197.10706	2.0
199.08621	2.4
199.12366	1.5
201.10284	1.2
210.09192	1.6
211.08684	4.4
212.09416	1.8
213.06453	1.4
223.08661	2.5
225.10156	6.3
227.11734	5.7
229.09633	7.5
235.08665	2.8
236.09386	1.5
237.10350	2.7
238.07332	1.5
238.10898	1.3
239.08284	1.6
239.11737	1.5
241.09552	1.1
248.09187	1.2
249.10211	7.2
251.08156	2.4
251.11830	3.0
253.09612	5.6
255.07484	1.5
255.11383	2.5
257.09216	7.1
261.10236	1.3
261.52505	1.2
263.08124	3.2
263.11899	2.1
265.09909	3.3
265.13385	2.0
266.06879	3.4
277.09888	3.7
281.09116	1.5
285.12476	2.2
291.11197	1.8
293.12527	1.7
298.13434	1.2
300.11496	1.8
301.15524	3.8
302.12918	1.3
305.09140	1.9
309.08759	2.8
312.14954	1.4
313.12225	1.2
314.13110	3.1
316.10849	1.7
316.14450	1.4
320.13919	1.5
325.15576	3.6
326.12921	1.3
327.13693	1.9
328.10846	1.8
328.14548	4.1
329.11597	2.4
330.12546	3.3
332.13937	1.6
337.11957	2.3
340.14325	1.8
341.11481	3.1
342.12405	6.6
342.16068	3.1
343.13037	5.2
344.10233	1.7
344.13950	2.7
354.16141	1.8
355.13235	1.9
356.13995	7.0
356.17838	1.7
357.14780	2.6
358.07712	1.3
358.11780	2.7
358.15479	4.4
362.11011	1.4
368.13959	4.5
370.11679	2.1
370.15668	6.1
371.16559	2.5
372.13162	2.1
372.17206	2.8
376.78876	1.3
384.17014	3.2
386.15012	2.0
387.15881	1.4
388.12747	2.2
393.13184	1.2
398.14862	1.6
399.15833	1.4
400.12570	1.5
404.16458	1.2
412.16428	3.6
418.17749	2.1
420.16034	1.7
421.16937	1.9
426.18002	1.7
436.15070	1.4
444.19592	9.4
445.20236	2.2
446.16824	1.8
447.17978	2.3
449.15994	1.5
451.17215	8.3
460.19089	1.8
463.17688	1.3
465.19409	2.5
466.19638	1.5
474.16837	7.2
476.22205	1.8
478.19870	1.5
479.16098	5.8
486.18329	1.6
493.18002	1.7
494.19354	2.0
495.20291	1.4
503.20590	2.1
504.21399	10.8
505.20453	1.5
506.19394	2.6
521.21906	5.1
522.19263	1.7
531.20264	2.0
535.23358	6.0
549.21136	3.4
553.24524	22.7
554.24329	3.1
563.22894	13.6
564.22955	1.8
567.22363	2.2
581.23962	100.0
582.24451	12.1
585.79199	1.2
591.22223	3.0
609.23425	72.7
610.24011	9.1
613.26794	8.7
623.24695	8.7
641.25964	71.0
642.26288	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	641.2604
Annotation	Swietephragmin G
Peak:m/z	Relative Intensity
53.03955	0.9
55.01869	1.3
55.05515	1.6
65.03943	1.7
67.05517	5.0
69.03410	0.8
69.07046	1.0
69.11110	5.8
70.23788	0.7
79.05479	3.7
81.03428	1.2
81.07072	3.9
82.91830	0.8
83.04969	1.0
91.05473	4.3
91.51596	0.6
92.70050	0.6
93.07056	2.5
94.06576	1.0
95.04974	1.3
95.08637	1.1
97.06558	1.6
98.22620	1.6
105.07033	2.8
107.04986	0.9
107.08575	1.0
109.02754	0.7
109.06520	0.8
115.05492	1.0
117.05852	0.6
117.07018	1.3
117.65488	0.6
119.08569	1.1
120.04463	5.7
122.06036	3.8
128.06242	1.0
129.07047	1.0
130.06549	1.1
131.07355	1.6
131.08568	1.5
132.08089	1.1
133.10135	1.2
134.06020	1.0
136.07585	2.0
144.08136	0.9
145.07666	0.6
145.10158	1.2
146.06030	1.0
146.08478	0.8
146.09610	0.8
147.11702	1.0
149.09686	1.0
150.05531	1.5
156.08112	0.9
158.09723	1.0
160.07626	1.9
160.61339	0.7
172.03993	1.8
172.07597	1.5
173.10753	1.7
174.09186	2.4
182.09795	1.4
184.07620	1.6
186.09212	1.1
187.08679	2.9
188.09459	1.1
189.10190	1.1
190.05095	1.0
196.10025	1.2
197.07120	2.1
197.10782	1.2
199.08710	2.7
199.12305	1.7
201.10260	2.3
204.06627	2.2
207.09152	1.1
209.10698	1.4
210.07677	1.1
210.09415	1.0
211.08655	6.1
212.07324	1.2
212.09445	2.5
213.10295	1.3
219.09073	1.0
223.08696	1.7
223.12151	0.8
224.09288	1.7
225.06638	0.8
225.10222	8.1
226.11012	1.0
227.08224	1.5
227.11745	8.3
228.08658	0.6
229.09729	11.5
230.10202	0.9
235.08676	2.6
236.09424	1.2
237.10292	5.3
238.07222	0.8
238.10905	0.8
239.08084	1.9
239.11916	1.8
241.09828	2.5
248.09393	0.8
249.10187	6.1
250.11063	2.0
251.08163	2.0
251.11821	3.8
253.09808	6.0
253.13283	1.0
255.07727	0.9
255.11348	2.1
257.09177	7.2
261.10294	1.5
263.08215	1.4
263.11880	2.6
265.09735	2.4
265.13507	0.8
266.06924	2.0
267.11371	2.0
267.68124	0.7
269.12915	1.5
271.11008	0.9
275.11667	1.4
275.20145	2.2
277.09781	3.1
278.10458	1.0
279.11304	1.0
281.09109	4.4
283.10931	1.3
285.12445	5.0
291.11227	2.3
293.12772	1.1
295.10617	1.0
297.12552	1.1
299.14117	2.5
300.11688	1.0
300.14914	1.2
301.12442	0.7
301.15546	9.1
302.09433	0.9
302.12836	1.4
302.16110	1.1
304.10815	1.2
305.12708	0.9
306.12598	0.8
309.08783	2.7
309.12131	1.5
311.10547	1.2
311.13977	1.4
312.11755	0.9
312.15167	0.7
313.12048	2.0
314.09573	1.1
314.12982	3.0
315.13611	1.1
316.10925	2.6
316.14395	1.5
318.12463	1.4
319.10660	2.2
320.13858	1.2
323.10681	0.8
325.15588	7.4
326.13092	1.3
326.16574	1.0
327.10193	0.9
327.13907	2.2
328.10806	2.1
328.14581	3.7
329.11615	2.9
329.15262	1.0
330.12363	4.1
330.16211	1.9
331.13147	1.2
332.14099	1.3
334.11765	1.1
337.12012	1.3
338.13089	0.9
339.13733	0.9
339.17520	1.0
340.10931	1.6
340.14618	1.5
341.11591	4.0
341.15451	1.5
342.12402	8.1
342.16199	3.0
343.13138	5.0
343.16879	0.9
344.10504	1.2
344.13998	4.6
345.14664	1.6
346.15558	0.9
350.12323	0.9
351.13547	1.3
352.14243	1.0
353.15237	0.9
354.12491	2.0
354.16269	1.1
355.13214	1.6
356.10068	1.5
356.14014	6.7
356.17734	1.3
356.83566	0.7
357.14728	2.9
358.11877	1.9
358.15643	4.4
360.13162	0.9
362.11533	1.0
366.12180	1.1
366.16263	1.5
368.10071	0.8
368.14133	2.7
369.14816	1.2
370.11755	2.1
370.15616	6.3
371.12366	1.2
371.16492	1.4
372.13397	1.9
372.17123	2.7
376.13025	1.2
376.17310	0.9
380.14316	0.8
382.11642	1.3
384.13153	1.1
384.17249	3.0
385.14120	1.2
385.18250	1.1
386.14865	3.3
388.12955	1.0
390.14728	2.2
396.13428	1.2
398.15106	3.2
399.16071	1.8
400.12686	1.1
400.17010	0.9
402.14304	1.1
403.15646	1.0
404.16324	1.0
405.17294	1.4
406.15244	1.5
407.15045	1.4
408.16367	1.0
412.16782	2.7
413.17404	0.9
414.14761	1.1
416.15720	1.3
417.17004	1.1
418.18344	1.2
419.15155	0.9
419.19418	0.8
421.12506	1.4
421.17355	1.3
423.18204	2.0
426.18402	1.3
430.18686	1.3
433.16302	1.6
435.13983	1.3
435.18988	1.1
436.14899	1.2
437.20383	1.6
444.19522	7.6
445.20450	1.5
446.17102	3.1
447.17831	1.1
448.22717	1.4
449.20709	1.3
450.17300	2.1
451.17175	7.7
460.18802	2.1
461.15210	0.9
461.20447	1.5
463.17883	1.7
464.19141	1.3
465.19211	4.5
466.20340	1.6
467.20779	2.1
472.18890	3.8
474.16672	2.5
475.22125	1.4
476.21643	2.6
477.19556	1.6
478.20209	2.1
479.16885	3.2
479.21777	2.4
488.18427	0.9
489.19034	1.5
491.20294	1.1
492.18524	0.7
493.22308	2.6
494.19165	1.6
495.20377	1.8
503.21234	3.4
504.21371	26.8
504.28928	1.4
505.22217	3.4
506.19681	1.2
507.20486	1.3
518.19464	1.8
521.21893	4.4
522.19769	1.0
523.20526	1.2
531.20148	1.0
535.23761	6.9
536.23236	1.1
538.22339	1.0
543.36841	0.9
549.21350	3.0
553.24591	26.4
554.24750	3.5
563.22858	11.5
564.23523	0.8
566.22314	0.8
581.23944	83.4
582.24426	11.2
591.22754	2.1
595.25067	0.8
609.23468	34.2
610.23663	4.2
613.26593	31.1
614.26929	4.3
623.25031	13.7
623.42371	0.8
624.24744	2.6
641.26038	100.0
642.26355	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	641.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.3
55.05516	3.7
57.03440	2.1
64.37991	0.6
67.05202	0.9
67.05502	5.8
69.07072	1.5
71.05003	0.9
71.08630	1.3
79.05500	5.5
81.03441	1.5
81.07060	6.4
83.01375	0.7
83.04996	1.5
83.08612	2.4
86.71717	0.6
91.05479	6.0
93.07047	4.1
95.04975	2.1
95.08611	3.1
97.06557	1.4
97.10140	0.8
97.87947	0.7
99.04491	0.7
99.08083	1.1
105.07018	5.4
107.04977	2.3
107.08601	3.6
109.10176	1.4
117.07018	2.6
119.08615	3.5
119.98005	0.7
121.06521	1.2
121.10143	2.7
123.08085	0.8
125.09598	0.9
129.06944	0.8
131.08557	2.3
133.10133	1.9
135.08086	0.7
135.11659	1.6
137.09633	0.9
143.08543	1.3
144.60536	0.6
145.10123	2.1
147.11723	1.0
151.11232	0.8
157.10107	0.9
159.11636	0.9
161.09738	0.8
163.11212	1.3
169.10175	0.8
172.07664	0.9
184.93141	0.7
195.09146	1.1
196.09955	1.0
209.10785	0.7
210.11389	1.1
211.08707	1.7
213.10245	0.7
223.08609	1.6
223.12329	0.8
224.09494	1.0
225.10219	2.2
225.13872	3.3
226.11008	0.8
227.08202	1.8
227.12494	0.9
235.08702	1.6
237.10217	2.2
238.11073	1.3
239.08167	1.2
239.11789	2.0
240.12515	0.9
241.09677	2.0
249.14093	0.8
251.08089	0.9
251.12050	0.7
253.09776	2.2
253.13385	15.7
254.13805	1.4
255.14941	1.0
263.08237	1.1
265.09897	0.9
267.07831	1.0
275.20053	2.6
281.09183	2.0
283.15524	0.8
288.11365	1.0
299.10342	0.7
302.12943	0.7
313.11963	1.7
316.10837	1.0
349.23541	0.8
359.21970	12.4
379.11621	0.8
393.13300	1.0
394.89120	0.8
400.16699	1.8
407.11078	0.9
409.16571	0.8
415.24551	6.6
421.12753	2.1
422.13721	1.7
423.14270	1.3
431.15720	0.8
433.16571	1.2
435.14658	2.2
436.14938	1.4
437.16077	2.4
450.16092	0.9
451.17667	2.8
460.18771	1.5
465.19199	1.0
467.21072	3.3
473.15988	1.1
474.16376	1.1
475.21027	2.2
481.22394	1.8
489.19223	1.3
491.17654	0.8
493.18307	1.7
503.20874	3.0
507.20358	3.2
521.22705	3.2
522.22260	2.2
523.18646	1.0
531.20294	1.5
535.22723	1.1
536.23407	1.0
537.24469	1.4
539.23462	3.8
549.21375	2.6
553.24548	3.9
554.24719	2.2
555.22430	1.3
563.22791	3.9
566.23810	0.8
581.24298	4.9
582.24731	1.1
595.25201	0.8
609.23206	2.5
611.21710	1.2
613.26685	1.4
623.25171	5.3
623.35437	8.3
624.23798	1.3
640.42755	1.1
641.25787	84.7
641.36444	100.0
642.25916	12.3
642.36694	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	641.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39720	0.4
53.03948	0.6
55.01871	0.7
55.05510	1.7
57.03444	1.1
57.07073	1.2
67.05502	3.4
69.07065	1.3
71.04990	0.6
79.05480	2.6
81.03453	0.8
81.07064	3.5
83.04962	0.8
83.08617	0.9
91.05470	3.7
92.73256	0.5
93.07050	3.3
95.04995	0.9
95.08619	1.8
97.06541	1.3
98.23370	1.2
105.07030	2.6
107.04955	1.3
107.08604	1.7
109.06572	0.7
109.10165	1.3
117.07053	1.1
119.08620	2.1
121.06464	0.6
121.10121	1.1
129.07014	0.8
131.08606	1.3
133.10172	1.6
137.09644	0.7
143.08545	0.6
145.10159	1.5
147.11664	0.6
149.09622	1.2
149.13387	0.6
155.08659	0.6
159.11812	0.7
171.74483	0.5
173.06042	0.9
183.11720	0.5
194.66728	0.5
217.04932	2.7
257.18994	0.8
275.20074	2.3
289.79639	0.5
306.07712	0.5
311.12952	0.8
329.13931	1.2
349.23953	0.7
365.17258	0.5
377.17502	0.9
378.18689	0.7
379.19330	0.9
385.16376	1.3
391.19485	1.0
392.20047	1.0
393.21072	2.4
394.21368	0.5
405.17108	1.9
405.21539	0.8
406.17905	1.4
407.17715	0.8
407.22754	5.3
408.23090	1.1
418.17795	0.6
419.18362	3.1
420.19183	2.3
421.20190	6.6
422.21063	0.7
423.22137	0.9
433.20633	4.2
434.21350	4.4
435.21802	10.0
436.22556	2.4
437.23303	0.6
446.20966	0.6
447.22247	1.4
448.18518	0.9
449.19540	12.1
450.20255	1.3
462.20868	1.4
463.21243	5.7
464.21878	2.5
465.23639	0.5
467.24506	0.9
476.22440	0.8
477.22815	1.8
481.22504	1.6
489.23276	0.6
493.22617	2.2
494.23111	3.9
495.23767	4.7
507.24277	3.7
508.24817	0.6
521.25757	7.9
522.25702	0.7
523.27643	0.8
530.70569	0.5
535.23395	4.4
539.23267	1.4
543.37115	1.1
549.24988	1.4
550.25677	0.9
553.24902	0.4
553.27539	0.4
563.26196	0.9
567.26434	1.0
581.27686	30.1
582.28009	3.9
595.25555	2.7
609.27142	1.3
610.27405	0.6
623.25079	1.1
623.42883	1.1
641.29712	100.0
642.29913	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2965
Annotation	Crooksiine
Peak:m/z	Relative Intensity
61.73235	0.2
66.66227	0.2
67.05527	0.4
69.09415	2.2
75.68691	0.2
79.05505	0.4
81.07086	0.4
91.05515	0.4
93.07028	0.6
95.08635	0.2
97.10172	0.3
105.07015	0.3
107.08591	0.4
117.27576	0.3
119.08635	0.3
121.01346	0.2
133.10074	0.2
150.12935	0.2
184.10094	0.3
192.23996	0.3
227.11758	0.3
249.10338	0.4
275.20020	0.5
288.14722	0.3
314.13013	0.3
326.12906	0.2
328.14383	0.4
340.14316	0.3
342.12378	0.3
342.16043	0.3
377.17767	0.8
378.18576	0.6
379.19116	1.2
380.19830	0.3
385.08997	0.4
390.18686	0.5
391.15128	0.3
391.19440	1.6
392.20248	0.5
393.21100	2.2
394.21512	0.4
395.22516	0.3
405.16467	2.4
405.21118	1.0
406.17133	1.1
406.22137	0.7
407.18338	1.0
407.22781	4.3
408.23007	0.8
418.17804	0.7
419.18219	3.5
419.23380	0.5
420.19125	2.6
421.20093	5.3
422.20929	1.0
423.22253	1.4
433.15170	0.4
433.20218	5.3
434.16388	0.3
434.21133	5.2
435.21967	8.0
436.22568	2.0
437.23291	0.6
446.20877	0.4
447.16714	0.3
447.22839	1.7
448.17770	0.4
448.22833	0.8
449.19556	9.3
450.19833	1.2
451.21317	0.5
461.23901	0.3
462.20520	0.8
463.21082	3.6
464.22122	2.5
465.19012	1.0
465.24097	0.4
467.24576	1.1
468.24957	0.4
473.20187	0.3
475.21390	0.6
476.22183	0.8
477.22974	0.7
479.20343	1.3
480.21451	0.5
481.22134	2.8
493.21771	2.4
494.23135	3.7
495.23740	4.1
496.24307	0.4
507.24063	2.0
508.24509	0.5
509.25485	0.6
517.22516	0.3
521.25714	11.5
522.25861	1.6
523.27203	1.3
523.56464	0.3
526.25555	0.3
535.23340	1.0
537.25104	0.3
539.22058	1.5
549.25098	0.8
550.25836	0.5
551.26251	0.4
552.23688	0.3
553.24274	1.3
563.25641	0.8
565.24377	0.3
567.26312	0.3
581.27795	18.6
582.28156	3.0
595.26477	0.3
609.26270	0.6
610.26599	0.4
641.29633	100.0
642.29791	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	641.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.01869	1.6
55.05516	2.9
55.37276	0.5
57.03437	0.9
57.07086	0.8
67.05509	5.7
69.07071	2.8
71.04974	0.9
71.08624	0.6
79.05486	5.0
80.05834	0.5
81.03415	0.8
81.07069	6.2
83.04984	1.6
83.08615	1.6
90.32655	0.5
91.05480	4.4
93.07054	4.9
95.05008	1.8
95.08611	4.3
97.06553	2.0
97.10187	0.7
105.07031	4.0
107.04969	1.5
107.08609	2.2
109.06544	0.8
109.10173	1.2
111.08088	0.8
115.81468	0.5
117.07047	1.4
119.08535	2.3
121.06477	0.6
121.10183	2.2
123.08077	1.2
125.09693	0.7
129.07031	1.0
131.08595	2.0
133.06557	0.5
133.10135	1.4
135.08134	0.7
135.11691	1.2
145.10156	1.9
147.11707	1.4
149.09621	0.6
149.13200	0.5
159.08112	0.6
159.11745	1.0
163.11259	0.8
173.13321	0.6
179.14436	0.6
184.07466	1.2
197.13312	0.8
207.09196	0.6
221.10742	0.9
223.12285	0.7
235.12474	0.9
237.13873	1.0
251.11716	0.5
257.19064	0.7
259.20670	0.8
273.10428	0.4
273.14032	0.6
275.20123	2.0
289.18121	0.6
291.19662	1.6
302.16443	0.6
311.18509	0.9
314.16580	0.6
323.14432	0.6
335.25681	0.5
349.23633	0.8
378.18704	0.6
379.19305	0.8
387.21002	0.5
389.17813	1.9
390.18100	0.8
391.19324	1.4
392.19916	1.3
393.20605	0.6
401.17786	1.3
402.18491	1.7
403.19339	4.3
404.20157	2.0
405.20920	1.9
406.21375	1.1
407.22388	2.0
408.23300	0.5
413.17584	0.7
415.19501	3.7
416.20105	3.8
417.20782	6.0
418.21631	3.6
419.22769	1.1
420.23199	0.6
421.24393	2.3
422.23526	0.7
427.19205	0.9
428.20526	0.6
429.21365	4.2
430.22314	3.4
431.17239	0.7
431.22919	4.9
432.23117	2.1
433.18744	0.8
433.24054	9.1
434.17209	0.7
434.24008	1.8
435.21930	2.0
443.23300	2.4
444.24142	2.7
445.19489	1.9
445.23990	4.6
446.24673	1.7
447.17685	1.1
447.26407	2.5
448.18539	0.9
449.24103	0.9
457.19708	0.9
458.25214	1.0
459.21124	3.7
460.22333	3.7
461.19812	2.1
462.20413	5.7
463.21298	6.2
464.22006	0.7
471.21436	0.7
472.22821	2.3
473.23343	5.8
474.24246	4.7
475.21188	7.6
476.22028	3.2
477.22855	21.8
478.23318	2.8
485.23322	1.8
486.24313	0.7
487.25143	8.5
488.25296	1.4
489.23083	1.7
490.23383	1.9
491.24414	5.2
492.25128	1.4
494.26532	1.0
495.27570	0.7
503.25229	1.2
504.25391	1.2
505.25543	3.0
505.32233	0.8
506.25903	2.3
506.32449	1.8
515.24554	1.5
517.22943	1.8
518.23132	1.6
519.27509	3.8
520.28259	1.1
521.21887	1.6
523.26538	0.7
531.23901	1.0
531.38513	0.6
532.24890	1.8
535.22681	3.5
543.37659	0.9
545.25476	9.4
546.25903	2.3
547.18713	1.0
547.27051	18.8
548.27393	2.2
549.24976	16.8
550.25714	22.1
551.26093	2.2
559.23541	0.6
561.21393	1.4
563.26361	4.2
564.27405	3.6
573.24854	1.0
577.28375	2.5
579.29596	10.5
580.29950	1.2
591.26019	16.6
592.26233	2.8
605.27557	25.6
606.28082	3.6
609.26959	1.1
623.28613	100.0
624.28986	15.6
641.26721	1.3
641.36987	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	641.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.8
55.01859	1.2
55.05513	1.7
57.03442	1.1
57.07067	0.5
67.05501	4.1
69.07085	0.7
71.04996	0.8
71.08633	1.1
71.29644	0.6
79.05494	5.0
81.03437	1.4
81.07069	3.0
81.21741	0.5
83.04997	1.2
83.08612	1.7
91.05477	4.0
93.07043	4.0
95.04967	1.0
95.08624	1.0
97.06535	1.1
102.20486	0.5
103.20465	0.5
105.07043	2.0
107.08606	2.4
109.06474	0.8
117.07017	2.0
119.08585	1.4
121.06506	0.9
121.10157	0.7
123.08025	0.6
131.08580	1.1
133.10150	1.1
135.11725	1.5
145.06520	0.6
145.10170	1.6
163.11195	1.3
210.11581	1.2
211.08714	1.3
213.10159	1.0
223.08633	1.0
225.10202	1.0
225.13937	1.5
226.10957	0.9
227.08173	1.0
235.08566	0.7
237.10135	1.3
238.10933	1.2
239.08170	1.0
239.11891	1.4
240.12560	0.7
241.09747	1.0
241.13394	1.0
253.09583	1.2
253.13358	9.0
254.13554	1.0
267.07748	0.8
275.20053	1.3
281.09323	0.8
283.15366	0.7
305.13358	0.7
313.11810	0.8
356.14020	0.7
359.21918	13.5
360.22256	1.0
400.16568	1.6
415.24472	6.1
421.12622	1.0
422.13562	1.2
436.15216	1.2
437.15924	1.1
451.17477	2.2
452.18872	1.0
460.19131	1.5
466.19940	0.7
467.20847	1.9
474.16675	0.7
475.21448	0.8
477.15265	0.8
481.22128	1.1
503.20709	1.8
507.20117	1.0
512.17133	0.7
521.21326	1.3
522.21716	1.1
525.21417	1.2
531.20178	1.0
539.23322	3.2
543.36523	0.8
549.21082	1.0
552.19299	0.6
553.24243	1.5
554.24646	1.9
555.22290	0.7
563.23114	2.1
581.20081	2.9
599.21283	1.7
609.23602	0.8
623.24957	3.2
623.35272	2.6
641.25751	50.9
641.36401	100.0
642.25885	8.8
642.36755	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	641.4412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.0
55.01876	18.7
55.05516	27.3
57.03440	6.4
64.45263	1.9
65.03939	3.0
67.05506	50.1
67.05842	3.9
69.03426	2.7
69.07069	28.3
69.07745	15.6
71.04995	3.0
71.08620	2.3
79.05063	3.8
79.05498	46.9
81.03432	5.8
81.07053	51.7
82.83054	1.9
83.04995	11.9
83.08612	11.8
85.06557	4.2
91.05486	42.3
92.05794	2.5
93.07048	44.3
94.88991	1.9
95.04963	13.9
95.08611	31.2
97.06527	24.9
97.10182	9.4
99.08105	2.1
103.05443	2.5
105.04528	2.1
105.07030	48.6
105.07676	3.7
107.04967	12.9
107.08600	28.3
109.06513	11.7
109.10172	11.8
111.08057	4.1
115.05403	2.6
117.07021	14.6
119.08587	28.3
121.06503	12.4
121.10118	13.9
123.08072	7.2
123.11733	4.1
125.09670	7.7
126.18908	2.3
129.07001	7.0
131.08536	25.4
132.08984	2.3
133.06493	3.8
133.10135	24.9
134.10408	2.4
135.08096	7.3
135.11693	12.7
136.08421	2.1
137.09647	5.2
141.06950	2.5
143.08560	9.9
145.10130	23.2
147.08054	4.7
147.11705	15.9
149.09612	11.8
149.13254	5.2
151.11174	4.3
155.08537	5.2
157.10162	7.3
159.08003	2.5
159.11696	14.6
161.09599	3.3
161.13268	6.6
163.11214	7.7
163.14894	2.0
169.10211	6.0
171.11694	4.1
173.13268	8.1
177.12694	6.3
179.14351	6.2
183.11700	6.5
183.73363	2.4
185.13289	2.9
187.11185	3.5
187.14824	3.3
189.11311	2.6
191.14253	3.3
195.11710	4.6
197.13298	3.8
201.12894	2.3
207.13939	2.3
215.14354	2.9
219.13864	2.9
219.17436	3.4
227.12735	4.6
229.19504	2.6
236.15001	6.0
239.17996	4.7
241.19576	4.0
247.20636	4.6
257.18900	11.4
259.20526	6.1
273.18597	2.8
275.20062	100.0
276.20477	6.3
291.19424	12.4
293.21158	17.0
333.24280	6.5
349.23718	39.2
350.24063	4.2
367.24911	7.4
371.98859	2.3
473.73935	2.3
495.23874	3.5
506.32025	6.7
543.36688	5.9
549.39386	3.0
581.27216	8.0
599.27631	3.7
623.27417	3.7
623.43219	26.2
624.43237	5.2
641.28308	14.0
641.45105	14.7
642.45227	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09761	2.3
53.03945	7.3
55.01878	18.7
55.05511	63.0
57.03439	14.5
57.07071	6.1
65.03944	5.5
67.05503	98.1
68.05843	2.7
69.03427	14.7
69.06722	4.7
69.07066	41.7
69.74047	2.1
71.04978	11.6
71.08633	3.7
79.05490	96.3
81.03409	10.7
81.07055	83.3
82.07404	4.2
83.04980	13.5
83.08621	34.4
85.06548	8.2
91.05478	86.5
92.05840	2.7
93.07043	78.7
94.07359	3.0
95.04959	15.1
95.08603	52.1
97.02891	8.2
97.06509	12.1
97.10162	33.4
99.08088	6.8
103.05461	4.6
105.07027	68.1
106.07358	3.2
107.04945	13.5
107.08589	52.2
109.06527	9.4
109.10154	32.4
110.27216	2.3
111.08076	7.8
115.05427	3.5
117.07010	32.6
119.08584	67.2
121.06493	5.9
121.10134	26.3
123.08064	7.0
123.11693	9.1
125.09618	28.6
128.06218	6.6
129.07011	23.6
131.08571	43.4
133.06509	4.2
133.10120	45.7
135.08035	13.9
135.10828	2.7
135.11670	14.9
137.09660	6.0
141.06982	8.4
142.07758	4.3
143.08571	22.5
145.06503	3.0
145.10127	34.0
146.10497	3.1
147.08052	8.9
147.11673	31.8
149.09622	6.7
149.13255	6.0
151.11110	2.4
153.07094	2.6
153.09140	3.2
155.08510	14.1
157.10132	21.2
159.08109	4.1
159.11668	22.5
161.09674	5.2
161.13245	25.0
163.11191	8.0
163.14717	2.7
165.09158	2.6
167.08563	8.8
169.10062	14.5
171.11580	17.4
173.09624	4.6
173.13255	17.8
175.11258	4.3
175.14789	11.5
177.12700	3.3
179.08514	3.1
181.10114	10.4
183.11668	12.7
185.13243	16.8
187.14833	8.5
189.11211	12.2
192.51849	2.5
193.10136	3.7
195.11746	7.9
197.13306	10.0
199.11206	2.5
199.14809	6.6
209.13284	8.8
210.14069	2.6
211.14847	7.3
213.16438	3.5
215.17934	3.2
221.13277	3.1
223.13181	15.1
225.16516	3.2
227.12660	15.2
229.02216	3.2
231.21004	3.8
235.14970	3.4
237.16380	2.9
239.17960	3.3
241.19547	20.4
257.19006	2.7
259.20557	45.4
273.18512	12.7
275.20102	16.4
277.21518	3.2
285.22171	4.1
289.17902	2.9
291.19540	96.8
291.22742	5.4
292.19858	6.3
315.23148	4.7
333.24243	29.5
349.23795	3.1
359.79202	2.5
363.26736	3.9
365.23145	27.8
366.23828	3.9
379.29959	4.4
381.27875	4.3
403.19168	4.0
405.20590	3.1
416.19659	4.5
417.20807	4.6
418.21634	4.7
429.20779	5.2
430.21652	3.8
431.22394	4.5
433.23755	7.0
435.22345	3.1
445.24158	5.5
462.20215	6.9
463.21161	3.7
473.23386	6.4
474.23553	3.3
475.21332	7.8
476.22049	3.4
477.22855	16.4
478.22958	4.4
487.24722	9.9
489.22366	3.1
491.24496	3.4
506.32190	5.5
511.34012	4.8
529.35132	7.2
531.37695	3.9
535.23474	4.3
543.37238	3.1
545.25378	6.8
546.25439	3.1
547.27271	17.5
549.25146	16.0
549.38983	3.6
550.25745	21.4
554.35577	2.9
563.25659	9.0
564.26453	3.3
579.29681	7.9
580.30060	3.5
591.25568	12.6
599.27771	3.5
605.27515	20.3
605.41736	9.6
606.28143	5.0
623.28241	100.0
623.42761	53.5
623.52448	1.8
624.28931	23.4
624.43079	9.8
641.27728	5.5
641.44775	30.7
642.45239	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	642.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.01874	6.6
55.05508	8.1
55.81124	0.8
57.03442	6.0
59.04992	2.1
61.02923	8.0
67.05505	8.5
69.03429	2.1
69.07064	2.1
70.21622	0.7
70.52151	2.1
71.01323	1.0
71.04982	2.0
73.02904	3.4
75.76488	0.7
79.05070	0.9
79.05493	12.2
81.02982	1.1
81.03419	11.1
81.07059	11.6
83.01341	6.1
83.04990	8.0
83.08620	8.9
85.02901	13.8
85.06543	1.1
91.03954	8.6
91.05470	6.6
91.66103	0.9
93.05511	2.4
93.07050	16.3
95.04968	4.3
95.08604	4.2
97.02908	7.9
97.06516	3.6
97.10152	1.2
99.04448	3.3
100.11237	1.0
105.07019	5.8
107.04951	7.0
107.08585	6.9
109.02872	3.0
109.06522	4.3
109.10152	1.2
111.04433	3.4
117.07041	5.1
119.08573	4.9
121.06487	2.5
121.10139	6.4
123.08062	6.4
125.05944	0.9
127.03915	5.7
129.06973	1.1
131.08557	3.1
133.10144	1.0
135.08049	1.3
135.11691	10.4
137.09613	1.4
139.07526	0.8
145.04932	4.2
145.10138	12.2
146.10446	1.0
147.08022	1.4
149.09593	1.0
153.12732	4.3
155.08542	0.9
163.06053	6.0
163.11186	23.7
164.11542	1.7
173.09610	3.7
179.65425	0.8
181.12263	5.0
182.15347	0.9
191.10661	4.4
209.11722	12.2
222.79451	0.8
227.12750	11.8
283.15390	100.0
284.15826	7.4
301.16418	2.8
334.46619	0.7
353.15887	9.6
361.60120	0.9
371.16949	8.8
373.47842	0.9
427.19315	1.8
445.20459	1.7
643.21838	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01876	4.7
55.05513	6.5
57.03208	0.5
57.03442	4.1
59.04992	1.5
61.02932	7.1
67.05508	5.1
69.03417	2.5
69.07071	1.4
70.88513	1.0
71.01342	1.2
71.04992	2.3
73.02917	3.4
79.05486	7.8
81.03416	7.8
81.07057	8.0
83.01350	5.9
83.04980	5.7
83.08620	5.4
85.02908	11.6
89.18944	0.6
91.03956	7.2
91.05482	4.3
93.05508	1.0
93.07046	11.2
95.04964	3.2
95.08603	3.6
97.02907	6.5
97.06539	2.3
99.04470	1.1
104.30823	0.5
105.07035	3.9
107.04964	5.9
107.08599	6.6
109.02872	1.4
109.06528	3.4
109.54089	0.5
111.04433	2.0
111.08060	1.4
117.07003	3.5
119.08576	3.9
121.06492	1.4
121.10164	4.0
123.08049	3.6
127.03927	4.6
129.07018	1.2
131.08585	2.1
132.40872	0.6
133.10181	0.6
135.08102	1.3
135.11700	7.8
137.09595	0.8
145.04970	3.9
145.06578	0.7
145.10129	9.4
147.08043	1.6
149.09741	0.7
152.84314	0.5
153.12750	3.6
155.08504	0.8
163.06038	6.1
163.11183	16.2
173.09686	3.1
181.12236	3.8
191.10654	4.6
209.11713	9.0
216.59262	0.7
227.12755	12.3
283.15402	100.0
284.15744	6.2
301.16550	2.0
324.55927	0.6
350.66046	0.7
353.15997	6.5
371.17010	5.7
381.19699	0.7
426.16937	0.7
427.19415	1.3
445.20685	2.3
461.21063	0.7
545.80322	0.6
606.26221	0.9
624.27081	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29781	0.6
52.56108	0.6
53.03944	1.2
55.01873	4.6
55.04012	0.6
55.05508	5.9
57.03440	3.6
59.04988	2.0
61.02925	8.7
64.41449	0.6
67.05508	5.3
69.03427	1.7
69.07075	1.3
69.16541	4.8
71.01334	0.9
71.04992	1.4
73.02922	3.5
79.05495	7.5
81.03416	6.6
81.07051	6.9
83.01333	4.3
83.04985	5.1
83.08622	6.3
85.02903	11.9
85.06525	1.0
85.77312	0.6
91.03960	6.8
91.05486	4.6
91.13437	0.6
93.07043	10.7
95.04965	2.1
95.08601	3.4
97.02893	5.2
97.06532	2.3
97.10151	1.2
99.04446	1.9
104.61564	0.6
105.07011	3.9
107.04969	4.8
107.08597	7.3
109.02879	0.7
109.06504	3.1
111.04443	2.6
111.08039	1.1
115.03931	0.7
117.06981	3.5
119.08581	4.2
120.67887	0.6
121.06521	1.7
121.10123	4.5
123.08067	4.3
125.05981	1.1
125.09665	1.0
127.03917	2.8
131.08574	2.3
135.08041	0.7
135.11671	6.6
145.04965	3.3
145.10121	10.0
147.08046	1.5
149.05969	0.8
153.12756	4.4
163.06042	6.8
163.11188	17.2
173.09647	2.9
181.12239	4.2
191.10687	3.6
209.11708	7.8
213.80075	0.6
221.15413	0.6
227.12769	7.3
252.15738	1.3
283.15396	100.0
284.15732	5.4
301.16403	2.8
366.22388	1.2
427.19760	1.1
474.21603	0.7
480.29202	2.6
599.29193	0.7
642.24591	1.3
642.34113	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	642.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85950	1.4
55.05513	4.9
55.45881	1.4
55.58802	1.4
57.07072	31.8
58.06600	5.8
58.07399	1.7
59.07373	1.6
60.08191	1.3
67.05492	3.6
69.07068	6.0
69.09538	11.5
69.76369	1.3
71.08627	34.5
73.06554	9.1
77.51372	1.5
79.05437	1.8
81.07069	5.0
83.08619	6.8
85.10179	18.9
87.04459	9.4
89.06030	100.0
91.05471	2.2
91.07616	2.1
91.27224	1.5
93.07048	3.1
95.04960	1.6
95.08596	2.0
97.10176	7.4
99.11738	4.1
105.07068	2.1
107.07043	3.2
107.08606	1.7
111.11739	4.1
117.09123	7.8
118.13087	1.5
127.14828	1.5
128.93860	1.5
130.08652	2.1
131.07008	2.0
131.08614	1.7
132.95328	1.6
133.08606	54.4
140.07043	1.9
144.10222	2.9
155.17976	2.0
175.09698	1.7
177.11218	23.5
211.24248	2.6
221.13939	3.8
236.14920	10.2
239.14816	1.8
255.26878	2.9
283.17700	3.6
299.29449	6.7
343.31955	3.3
415.25372	3.4
544.37073	4.8
625.48810	4.1
642.34613	1.9
642.49158	11.9
643.25275	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	642.5299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.8
55.01860	1.9
55.05513	14.3
57.03447	7.5
57.07076	28.3
64.81472	1.3
65.03937	2.5
67.05509	39.2
69.07072	14.2
71.04970	3.5
71.08635	19.8
71.20856	2.0
79.05489	18.0
81.03407	1.4
81.07059	38.5
83.04987	6.7
83.08620	11.3
84.53345	1.2
85.10197	9.0
91.05477	16.3
93.07045	25.0
94.07338	1.6
95.04957	7.5
95.08611	26.3
95.88199	1.3
96.08929	1.6
97.06518	7.1
97.10185	6.1
99.08112	3.7
105.07037	8.2
107.08587	11.7
109.10166	11.8
111.08108	4.2
117.07034	6.1
119.08595	4.6
121.10164	6.2
123.11723	3.7
129.07025	2.3
130.04813	1.5
131.08589	6.2
132.59219	1.4
133.10146	7.5
135.08066	2.4
135.11725	4.2
147.11703	3.7
149.13245	7.4
151.11205	4.3
159.11696	5.5
161.13327	2.7
163.11214	2.2
177.12798	4.0
179.14366	2.6
195.13844	6.1
239.23724	2.9
243.81731	1.6
259.20575	2.1
269.17459	17.8
277.21533	6.9
305.35718	1.4
313.27371	40.1
313.30988	2.3
314.27728	3.2
351.25400	7.8
353.49670	1.5
467.37476	2.3
507.40457	100.0
508.40787	10.8
526.07465	1.5
531.40442	2.3
589.48322	2.8
643.44934	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	642.5299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.3
53.79699	0.7
54.53191	0.7
55.01878	1.3
55.05512	12.6
57.03442	5.6
57.07077	29.7
58.34254	0.7
65.03944	1.2
67.05504	31.2
69.07058	11.0
70.79693	1.5
71.04989	1.8
71.08632	20.9
71.17683	0.8
78.99112	0.7
79.05491	18.3
79.71126	0.7
81.03438	2.2
81.07052	33.9
83.04992	6.7
83.08614	10.9
85.06529	1.7
85.10181	10.8
90.22254	0.8
91.05480	15.6
91.06423	0.7
93.07044	23.5
95.04948	5.8
95.08604	25.3
97.06522	5.1
97.10160	5.0
99.08085	3.4
105.04520	1.2
105.07023	8.5
107.04981	1.3
107.08582	9.8
109.06523	2.0
109.10148	8.3
111.08096	3.3
117.07012	3.9
118.98394	0.8
119.08592	4.1
121.06525	0.8
121.10126	5.9
123.08011	0.9
123.11692	3.9
125.09651	0.8
131.08533	5.1
133.10143	4.0
133.91982	0.8
135.11697	4.4
137.09772	0.8
137.13293	1.2
139.11163	1.5
145.10175	0.9
147.11719	2.5
149.13258	8.1
151.11179	5.1
157.10373	0.7
159.11710	4.6
161.13232	1.6
163.11197	2.6
168.30725	0.8
171.11662	1.5
177.12814	1.6
179.14310	1.3
195.13803	3.3
227.12653	0.9
239.23775	4.0
251.16508	2.1
259.20621	2.3
269.17480	9.8
276.80649	0.8
277.21606	8.0
313.27359	29.3
314.27716	2.6
341.26828	0.7
351.25299	8.8
352.25705	1.0
507.40439	100.0
508.40796	16.6
525.76794	0.8
589.48065	5.1
590.48889	1.0
648.22888	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05434	0.6
69.07002	0.4
69.13079	1.2
69.13483	0.7
70.59666	0.3
79.05418	0.4
81.06973	0.6
91.05387	0.3
95.08514	0.5
105.06944	0.5
107.08490	0.5
112.51617	0.3
119.08492	0.4
121.83317	0.3
133.10071	0.3
162.22005	0.2
350.92163	0.4
396.07156	0.3
396.12125	1.2
397.12955	2.0
398.13663	0.9
399.14133	0.3
409.12973	1.0
410.13739	2.8
411.14447	5.7
412.15161	4.1
413.15952	2.6
423.15222	1.3
424.11240	1.5
424.15295	2.0
425.16245	11.4
426.16840	9.1
427.17542	2.0
428.18390	1.1
434.51489	0.3
437.11630	0.6
437.16769	0.6
438.13120	2.1
438.17459	1.2
439.13583	13.8
440.14020	1.9
440.19257	4.5
441.19296	31.0
442.19547	4.8
451.13644	0.9
451.60910	0.3
452.14313	3.5
453.15302	15.1
454.15942	5.7
455.16528	0.6
456.17624	0.3
457.15128	1.0
458.15640	0.6
463.13852	0.7
465.15527	0.5
466.11819	0.5
466.16699	0.5
467.17123	24.4
468.17847	14.1
469.18716	13.5
470.19199	2.0
471.16699	0.7
472.17572	0.6
478.16257	0.4
480.17767	0.9
481.14758	14.7
482.15213	4.2
485.18018	1.0
486.19003	0.6
487.19531	0.3
495.16617	1.9
496.17111	11.7
497.17722	3.2
498.18790	0.6
499.19684	1.2
509.18118	2.2
512.20245	1.3
513.21088	0.6
514.22449	2.1
523.19482	1.5
524.20374	0.9
527.23517	2.4
528.22998	0.7
539.19208	0.5
540.19659	0.5
541.20544	0.4
542.21460	0.8
551.19299	0.5
554.19202	0.3
555.22394	24.3
556.22717	4.7
568.19666	0.9
573.22943	0.6
583.21851	100.0
584.22137	16.9
586.20563	0.4
587.24622	1.4
601.22736	0.4
611.21619	1.8
612.21533	0.4
614.23688	0.7
615.24548	9.4
616.24823	1.8
643.23907	48.0
644.24146	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	643.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	25.9
58.12688	3.7
63.42349	3.6
69.03426	21.0
70.66139	3.6
71.28316	4.0
81.03414	12.1
83.04967	5.0
84.58966	4.0
84.96014	7.5
85.02911	9.1
93.90348	4.0
97.02869	9.8
98.97578	100.0
101.00899	9.8
108.48886	3.7
108.49704	3.4
110.97567	14.6
113.06017	5.7
116.98605	41.0
119.01937	26.7
122.16789	3.9
124.99167	4.0
128.98613	17.9
131.01921	6.9
132.25716	3.8
134.99677	11.5
136.06226	5.9
136.99098	13.5
143.00230	6.5
143.01859	25.2
144.65784	4.1
145.03450	7.7
146.99648	8.1
147.03249	4.2
147.04448	4.6
155.00156	34.9
155.01904	10.5
156.02760	6.3
157.03487	8.8
158.99632	21.6
159.15939	4.1
161.02937	18.9
163.03992	5.0
169.03473	4.1
170.03252	4.6
170.99641	6.8
171.05042	8.6
173.01231	33.8
173.02946	19.2
177.00720	19.9
181.03503	5.9
185.02942	19.6
189.00745	5.8
191.02261	4.9
197.01253	33.4
197.02878	8.8
197.06584	5.6
199.04523	28.7
201.04256	10.4
203.03955	10.0
211.04521	10.4
213.06102	8.2
215.02293	20.8
215.04086	5.2
217.01953	4.8
219.01717	27.7
221.05048	11.6
222.04901	8.9
223.04535	4.9
236.99173	4.3
237.02835	23.9
239.02298	6.1
241.05576	15.1
245.05045	41.0
247.04555	5.1
252.05766	9.5
257.03284	15.1
263.06342	4.3
275.06091	4.9
279.03799	4.6
286.99356	5.3
301.08914	52.5
302.07855	8.5
315.54102	4.4
316.09012	7.7
317.05576	20.7
319.08704	15.6
333.11548	73.0
335.06454	11.7
337.09875	9.6
351.05804	4.6
361.09756	20.8
363.09491	5.0
365.05688	7.6
365.09833	6.7
379.10831	16.0
381.10699	5.6
383.01462	5.5
383.07260	14.7
391.10727	5.7
392.56085	5.0
393.05646	4.8
401.02689	5.3
425.02457	9.4
425.07275	39.3
426.08179	6.0
443.03113	5.7
463.13058	8.7
626.02930	5.2
643.17981	8.4
643.23022	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	643.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
54.96984	0.8
55.01881	1.1
55.05507	3.4
58.71471	0.8
67.05502	8.2
69.07063	2.7
71.08646	1.0
71.30182	1.2
79.05500	7.3
81.03413	1.5
81.07060	9.5
83.04957	1.1
83.08616	2.9
84.77704	0.8
91.05481	5.7
93.07040	7.3
95.04967	2.6
95.08633	5.2
97.06513	1.9
103.01598	0.8
105.03379	0.9
105.07021	6.0
107.08590	4.2
109.10165	3.0
111.08059	1.1
117.06999	1.8
119.08559	4.4
121.10127	2.7
123.11718	1.1
129.07024	2.0
130.02505	1.8
131.08563	4.1
133.10126	2.2
135.08032	1.3
135.11647	1.9
143.08640	1.3
145.10130	4.1
147.11714	2.8
149.09578	2.1
149.13264	1.4
157.10155	1.4
158.62566	0.9
159.11711	1.4
161.13329	1.3
163.11081	1.0
168.07991	0.9
173.13264	1.3
174.86798	0.7
181.12212	1.1
185.13196	0.9
196.09897	1.3
209.10773	1.2
210.11603	1.8
212.09392	1.8
223.08684	1.5
225.10269	3.2
225.13847	5.7
226.10983	2.7
227.08017	1.0
227.11746	1.8
235.14915	0.9
237.10275	4.9
238.10936	3.2
239.11867	3.4
240.12585	1.2
241.09898	1.1
241.13361	3.0
249.10445	1.1
251.08133	1.7
251.11784	1.7
253.09398	1.2
253.13356	23.8
254.13779	1.8
259.20526	2.9
263.08005	1.5
265.09702	4.7
267.11176	1.0
269.09210	1.3
275.20010	2.2
276.82245	1.0
279.07413	1.1
283.10593	1.4
283.15320	1.2
293.09244	7.2
321.08734	2.6
325.11786	3.3
333.24390	1.1
342.12128	1.2
353.11292	1.8
355.88205	1.2
356.14111	1.3
358.15521	1.1
367.25024	1.2
372.13406	1.2
386.14920	1.7
400.16528	1.9
433.16452	1.4
446.17377	4.5
447.18359	1.2
460.18835	1.1
461.15054	1.1
462.20294	1.3
475.17905	1.5
477.19016	1.6
477.28555	2.1
481.21680	1.2
489.15060	1.3
491.20651	2.0
503.16873	2.2
504.17645	1.0
505.22198	1.4
511.42807	1.2
512.24652	1.0
518.19550	1.4
533.21729	6.1
534.22125	1.2
535.19690	1.4
541.24908	1.5
550.22131	1.1
555.25757	1.1
561.21130	5.3
565.24530	12.5
566.24652	1.9
583.25067	1.2
593.23926	100.0
594.24091	17.3
611.24915	2.1
625.27289	4.3
625.44830	1.2
626.26440	2.0
643.15021	1.9
643.27557	20.2
643.36938	1.7
644.27405	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18192	0.6
52.70842	0.7
53.03938	0.7
55.01852	0.8
55.05504	2.0
57.03433	0.9
59.04992	0.6
65.03942	1.1
67.05511	4.3
69.07067	1.4
75.04524	0.8
79.05495	2.7
81.03408	1.1
81.07052	3.8
83.04993	0.7
83.08634	0.6
84.12650	0.6
85.06538	0.9
91.05464	5.5
93.07031	3.4
94.06600	0.6
95.04969	1.7
95.08624	1.8
97.06526	1.5
105.07028	2.4
107.08607	2.2
108.08115	0.6
109.10103	1.3
117.07050	1.3
119.08601	2.5
121.06531	0.8
121.10162	1.4
129.07042	0.7
131.08548	1.0
133.10130	1.6
135.11717	0.8
136.07596	2.4
138.09167	0.7
143.08562	0.8
145.10175	1.4
147.11696	1.0
151.61250	0.6
153.92648	0.7
159.11732	0.9
174.09207	3.5
174.10519	0.6
177.12939	0.7
187.12329	0.8
188.62187	0.6
211.08812	0.8
212.09328	1.0
212.45891	0.6
213.10240	1.0
225.10280	2.1
227.11888	2.7
237.10130	0.9
241.09708	0.7
243.11348	6.4
251.08279	0.8
253.13496	0.9
255.11310	0.9
261.10077	0.7
263.08075	0.8
265.09808	1.5
267.11426	1.3
277.09671	3.8
279.11075	0.8
283.10822	0.9
284.11896	0.7
291.11166	1.1
293.09561	0.7
295.10962	1.1
301.15479	1.3
302.09445	0.7
302.12750	0.7
304.14514	0.6
311.10709	0.9
314.12973	0.8
315.13745	0.7
316.10886	2.0
316.14313	0.8
317.11713	1.3
318.12512	1.0
318.16000	0.8
319.10834	2.6
320.10794	0.8
326.12970	1.0
328.11023	1.3
330.12344	1.9
331.12994	1.2
332.13922	1.8
332.17569	1.1
334.15479	1.7
338.12842	0.7
340.11060	1.3
342.12271	1.2
343.13052	1.6
344.10266	0.7
344.13889	1.4
346.15414	1.2
347.16183	0.7
348.13416	1.1
348.17261	1.1
351.13492	2.2
354.12460	2.0
356.10229	1.4
356.14038	1.5
357.11063	2.1
358.11884	1.9
358.15765	1.3
359.12323	0.7
360.13333	1.2
360.17242	1.3
366.11987	0.8
368.14090	1.8
370.15646	3.4
371.12457	1.2
372.13272	1.5
372.17395	1.1
374.15106	1.8
375.31775	0.6
382.15665	0.9
384.13211	0.9
386.14911	3.5
387.15839	1.2
388.16599	2.6
389.17429	1.3
390.14700	1.0
396.13446	1.4
397.14059	0.8
398.15067	1.7
400.78784	0.7
401.17227	2.5
404.16132	2.4
405.13620	0.8
410.15237	0.8
414.14325	1.5
418.17657	2.7
420.19125	2.5
421.19873	2.1
428.15927	0.8
429.16876	1.6
430.16995	0.8
432.15399	4.0
433.15274	1.0
433.20016	2.5
435.17819	1.3
446.17520	2.7
447.13861	0.8
448.19247	1.9
449.19730	1.2
453.19406	1.5
457.16147	0.8
461.15820	1.1
463.17462	2.0
473.19513	0.8
474.16766	0.9
475.17883	0.9
476.18799	1.8
477.19049	1.2
478.19855	1.4
479.20663	2.4
487.21609	1.1
488.19064	1.3
489.19098	0.7
490.20367	1.1
491.21631	3.4
492.21371	1.4
503.17291	1.3
505.22726	3.0
506.19107	11.6
507.19751	2.3
508.20419	1.6
515.20636	2.2
518.19440	1.3
519.20325	1.2
520.21124	1.4
524.23578	0.7
533.22058	3.4
535.20447	0.9
537.25494	0.9
547.23096	1.2
549.25403	1.2
551.23236	0.9
555.25946	1.1
561.21375	1.4
565.24695	2.4
575.23022	2.7
583.25482	5.6
584.25922	0.8
593.23914	100.0
594.24237	16.0
599.83380	0.7
611.25110	3.8
625.26550	4.1
625.46240	0.7
643.27466	14.8
643.35510	0.7
644.28149	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	644.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.5
55.01856	0.9
55.05512	4.4
57.03436	5.0
61.02614	0.5
61.02925	7.6
64.18268	0.4
65.03915	0.6
65.65320	0.4
67.05506	7.0
68.05825	0.5
69.03425	2.6
69.07059	2.0
70.06566	0.5
71.04981	1.5
73.02914	2.4
75.64561	0.4
79.05494	8.6
81.03416	28.7
81.07054	8.0
81.44129	0.4
83.04980	6.7
83.08152	0.6
83.08620	9.8
85.02904	17.0
85.06532	1.0
86.03256	0.6
91.03954	5.4
91.05481	11.2
92.68091	0.4
93.07050	5.8
95.04963	9.5
95.08611	3.6
97.02895	5.0
97.06519	1.8
97.10165	1.3
99.04436	0.7
99.08055	0.5
105.07030	7.2
107.04969	2.6
107.08562	2.1
109.02851	0.8
109.06523	1.9
109.10154	0.8
111.04426	1.4
111.08083	5.0
113.05997	1.0
114.15190	0.4
115.05443	0.8
117.07143	0.4
119.08582	7.8
121.06470	0.7
121.10151	3.3
123.08030	0.9
123.11732	0.8
127.03912	2.1
129.06993	3.9
131.08568	4.5
131.66794	0.4
133.06512	1.1
133.10123	4.0
137.09608	0.5
142.07768	1.2
145.04962	2.1
145.10112	0.7
147.04398	0.7
147.08046	1.1
147.11685	6.5
149.09615	2.2
157.10138	6.6
163.05972	2.9
163.11220	0.5
165.12746	1.8
166.38171	0.4
175.11191	8.2
193.12230	24.5
194.12494	1.0
211.13287	17.9
212.13647	0.6
267.15884	7.7
283.15482	0.6
285.16956	100.0
286.17325	5.1
309.16876	0.7
429.21335	2.1
447.22266	3.2
645.24969	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.2
55.01875	6.5
55.05511	13.3
57.03439	12.9
59.05001	1.9
63.05362	2.0
64.47817	1.9
65.03937	3.1
67.05505	28.0
69.03423	6.5
69.07066	7.0
69.46638	4.3
69.47025	4.1
71.01334	2.1
71.04985	5.1
79.05498	29.3
81.03419	48.3
81.07063	20.1
83.01348	7.2
83.04990	14.2
83.08599	9.2
85.02901	5.2
88.61699	1.9
91.05486	85.4
91.41987	2.2
93.07044	36.2
95.04967	11.6
95.08606	9.8
97.02908	8.0
97.06531	12.3
98.22624	3.4
103.05488	2.9
105.04527	2.6
105.07043	28.2
107.04958	11.8
107.08595	7.5
109.06509	8.8
109.10143	5.6
111.04464	6.6
117.07009	12.8
119.08580	59.8
121.06521	8.3
121.10164	6.5
123.08072	8.6
125.05898	2.0
129.07043	11.1
131.08560	4.6
133.10143	2.7
135.08066	12.6
135.11694	10.0
137.09624	15.4
145.06490	2.3
145.10109	12.4
147.08051	39.3
153.12737	3.9
157.10191	1.9
163.11191	17.8
165.09137	25.9
165.65398	1.8
166.00647	2.0
173.09639	3.1
181.12224	3.8
191.10675	2.9
209.11798	5.3
221.11746	2.5
227.12871	4.9
239.12782	100.0
240.13152	6.4
265.14392	5.7
267.15762	2.8
279.97223	2.0
283.15414	75.7
284.15735	5.5
349.23917	2.8
429.22894	9.3
447.23770	82.2
448.24200	9.2
530.06134	2.0
657.81915	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19876	1.3
52.94018	1.2
53.03941	3.4
54.99895	1.3
55.01871	9.3
55.05512	12.4
57.03438	15.1
59.04990	1.8
65.03925	1.8
67.05502	20.3
69.03416	3.9
69.07055	6.1
71.04974	3.8
79.05058	2.4
79.05492	21.6
81.03416	52.9
81.07050	18.4
82.03728	1.3
83.01334	7.4
83.04980	11.3
83.08610	8.2
85.02899	5.3
85.06557	1.3
91.05479	82.1
93.07039	35.1
95.04983	11.3
95.08611	8.9
97.02900	9.1
97.06546	7.8
97.10172	1.8
99.04451	3.1
103.05464	2.1
105.07022	23.7
107.04964	12.1
107.08588	11.9
109.02862	1.8
109.06524	7.8
109.10161	4.9
109.44952	1.5
110.92921	1.2
111.04421	4.9
117.07020	11.9
119.08580	59.7
121.06493	8.4
121.10134	7.7
123.08053	7.6
127.03975	2.2
129.07011	9.5
131.08585	4.8
133.10094	2.5
135.08038	8.5
135.11688	6.6
137.09624	14.3
139.27322	1.3
145.10114	10.4
147.08049	33.6
148.08368	1.5
153.12698	2.2
155.08551	2.1
163.11179	17.2
164.11528	1.5
165.09116	28.4
173.09593	3.0
175.11224	2.3
181.12238	2.0
191.10715	6.1
191.71849	1.3
193.12256	1.7
200.52165	1.5
209.11740	5.6
215.94344	1.3
219.50644	1.5
221.11710	4.1
227.12787	5.0
239.12775	100.0
240.13087	4.8
265.14417	4.8
267.15921	1.5
283.15387	77.6
284.15723	5.2
429.22827	6.2
430.23114	1.5
447.23730	68.2
448.24149	6.5
486.63135	1.4
607.49310	1.5
611.52460	1.3
644.27783	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	9.1
56.07411	1.9
57.03442	7.8
57.07078	40.9
57.88511	1.8
61.02924	14.0
62.03843	1.8
67.05504	19.4
69.03439	4.6
69.07061	9.0
71.08640	28.5
71.28635	3.3
73.02910	4.4
75.04453	2.9
75.77213	2.2
79.05488	11.5
81.03415	4.2
81.07057	20.2
83.04994	2.3
83.08618	7.6
85.02908	17.8
85.10179	14.0
91.03958	11.9
91.05473	8.0
93.07056	9.7
95.08607	30.4
96.08966	2.3
97.02892	6.7
97.06532	3.9
97.10169	6.2
105.07043	6.7
107.08598	6.6
109.06496	3.1
109.10177	14.2
111.11726	3.5
117.07031	2.2
119.08578	5.8
121.06491	2.5
121.10184	4.9
123.11721	7.3
127.03936	7.3
131.08548	2.9
133.10129	4.6
135.08133	2.2
137.13239	2.7
145.04979	9.1
145.10118	4.5
147.11713	4.3
149.09619	2.7
157.10051	2.4
159.11676	3.3
163.06052	8.3
163.11154	3.4
181.51730	2.2
185.13390	2.4
211.20573	22.3
212.21063	2.4
229.21666	6.0
275.20239	2.7
285.24252	100.0
286.24524	8.1
299.14932	3.3
300.59830	2.5
303.25333	30.2
304.25714	3.8
357.19193	2.3
395.97107	2.3
645.31390	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	644.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.9
55.01880	4.0
55.05511	19.7
57.03429	6.4
57.07080	1.2
59.05006	2.6
65.03961	1.1
67.05502	36.2
69.03439	3.2
69.07064	8.4
69.55814	5.0
71.04984	11.8
71.08635	5.2
75.04478	2.4
79.05494	24.3
80.05862	1.0
81.03423	9.8
81.07056	35.9
81.07529	1.9
82.07410	1.9
83.01360	5.5
83.04988	9.0
83.08612	12.2
85.02898	1.3
85.06559	3.1
89.06028	2.5
91.05475	20.7
91.06014	1.7
93.07043	31.5
95.04958	5.4
95.08609	14.6
97.02922	2.0
97.06532	8.7
97.10175	6.1
99.04467	1.2
99.08118	3.1
105.07034	13.0
107.04945	6.7
107.08587	19.8
107.09276	1.2
109.06526	5.2
109.10148	11.2
111.04478	2.1
111.08098	5.2
113.06023	1.1
117.07031	8.5
119.08577	9.5
121.06533	1.8
121.10135	10.3
123.08049	5.6
123.11729	2.5
125.05956	1.5
125.09637	5.2
129.07037	1.6
131.08539	7.8
133.10158	8.4
135.08037	2.8
135.11693	9.1
137.09673	1.8
143.08585	2.6
144.09355	1.2
145.06508	2.0
145.10124	9.1
146.10571	1.2
147.08110	1.4
147.11734	2.3
149.09627	2.4
149.13254	5.0
151.11214	3.8
153.12805	2.1
155.08582	1.4
157.10158	1.4
159.11726	4.8
163.11186	12.9
169.10062	1.9
169.84177	1.0
171.11720	1.1
173.09709	1.3
173.11726	2.3
173.13184	1.1
175.14777	1.2
177.12701	1.1
181.12222	1.9
189.11200	3.2
191.10880	1.4
195.13803	2.8
209.11792	2.8
213.14877	1.3
222.13921	1.0
227.12793	10.5
229.14363	10.5
237.12733	1.0
251.16417	1.2
256.01822	1.1
275.20032	1.1
277.21643	3.2
283.15421	19.0
283.18527	1.7
323.64600	1.0
351.25473	5.2
381.22711	2.7
426.70166	1.1
437.25354	14.4
453.24854	3.5
459.27255	2.1
461.28571	3.0
477.28470	100.0
478.28848	10.4
559.35919	5.3
561.98401	1.2
645.36841	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
55.05508	3.6
56.05036	0.3
57.03439	4.3
57.07074	4.3
58.06600	34.4
59.04998	0.3
59.06929	0.5
59.07383	9.2
60.08165	8.5
67.05507	2.7
69.03452	0.5
69.07072	1.4
70.50686	0.5
70.50997	0.2
71.04971	0.3
71.08634	3.0
73.02927	0.6
74.11032	0.2
75.04476	2.5
79.05499	1.4
81.07064	2.9
83.04976	0.6
83.08631	2.1
84.08146	0.9
85.02905	1.6
85.06530	0.3
85.10184	1.6
87.04472	3.2
89.06059	0.4
91.05498	0.5
91.63213	0.3
93.05514	0.3
93.07058	0.8
95.04955	0.4
95.08607	2.3
97.10165	3.4
100.11280	0.5
102.05550	0.7
103.03930	0.4
105.05500	0.5
105.07030	0.4
105.65350	0.2
107.08592	0.9
109.10172	1.2
113.06042	1.1
121.10185	0.3
125.09631	1.9
130.08659	0.7
131.07056	1.3
143.21101	0.2
144.10196	13.6
159.06511	0.5
162.11256	3.9
189.11220	0.7
200.12891	0.7
218.13893	1.0
236.14920	73.6
237.15262	3.1
313.27518	0.8
344.24347	0.3
369.30194	0.4
370.22202	0.7
373.12036	0.2
388.23260	7.5
388.28134	0.4
389.23676	0.5
406.24368	6.4
407.24878	0.4
412.37857	0.9
456.36823	6.5
457.37180	0.5
474.37878	14.8
475.38132	1.7
626.46283	2.8
627.45892	0.6
644.47272	100.0
645.47620	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	644.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.3
57.03428	1.9
57.07079	31.9
58.06593	1.2
58.07438	0.9
67.05511	5.8
69.03441	0.8
69.07066	5.7
69.07367	2.0
69.07766	5.7
71.08635	26.5
73.06557	8.2
75.04480	6.0
79.05512	5.3
81.07080	4.6
82.07431	0.9
83.04984	1.5
83.08618	1.8
85.06544	1.3
85.10188	14.0
87.04464	8.0
89.06034	100.0
90.06365	1.1
91.05482	3.8
91.07607	0.9
91.85566	0.8
93.07053	6.1
95.04957	1.5
95.08606	3.7
97.06545	1.2
97.10175	3.3
99.11741	3.6
105.07013	4.1
107.07061	3.4
107.08569	3.1
109.06516	2.5
109.10187	2.9
110.74865	0.8
111.11719	3.9
113.13326	2.4
117.07059	1.1
117.09129	7.2
119.08579	2.6
121.10125	2.4
123.08115	1.1
127.14850	1.1
130.08615	1.0
131.07048	3.1
131.08568	1.1
133.08603	55.1
133.10194	2.7
135.08119	2.0
135.11723	2.1
143.08615	1.4
145.10117	1.4
147.11603	1.3
149.09682	1.0
149.13327	0.8
157.10156	1.2
159.11667	1.5
163.11197	1.5
165.09108	0.9
167.10721	3.1
169.19542	4.3
171.11749	1.5
173.13422	1.3
175.09634	1.5
177.11234	23.4
179.14326	1.3
213.22185	2.8
215.27640	0.9
219.11948	0.9
221.13840	3.4
221.15640	1.5
236.14917	2.1
239.14789	1.0
244.31161	0.9
257.24719	5.6
265.16483	1.4
283.17645	1.9
292.19913	1.3
301.27353	3.0
301.35461	0.9
327.19907	1.1
336.25992	1.2
459.28113	3.1
483.77664	1.0
626.44623	2.8
627.46899	1.6
644.27087	1.1
644.47687	5.2
645.44568	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.6
55.05508	3.9
57.03443	7.0
57.07082	1.0
66.34544	1.2
67.05521	5.6
67.05836	1.1
69.03444	2.4
69.07066	2.6
69.60644	4.7
70.06596	2.0
71.01346	1.3
71.53559	1.0
74.50146	1.0
79.05497	9.6
79.05922	1.4
81.03425	3.8
81.07043	5.7
83.01347	1.3
83.04976	2.8
83.08622	2.3
84.08150	1.4
85.02911	1.7
85.06562	1.1
88.07655	1.5
88.48050	1.1
91.05479	4.5
93.07045	9.0
95.04985	3.0
95.08608	4.3
95.60908	1.2
97.02907	1.7
97.06538	6.2
105.07038	4.3
107.04969	2.9
107.08577	2.8
111.04469	2.6
111.08146	1.3
117.07021	1.3
119.08587	4.6
121.10162	7.6
123.08089	1.3
129.07051	1.5
131.08681	2.0
135.08096	1.7
135.11652	2.0
139.11176	1.9
142.53606	1.2
145.04858	1.1
145.10178	3.4
147.08043	1.1
149.02335	6.5
163.11266	3.1
167.10640	1.8
193.04919	6.8
200.20172	3.1
211.07602	1.2
222.06158	1.2
234.03172	1.2
237.07564	1.3
241.14296	13.6
244.22705	3.4
247.07683	1.3
283.15405	8.6
303.04745	1.1
311.12811	2.0
355.15570	1.6
385.09201	2.4
400.15417	1.4
413.16473	1.5
414.17023	2.8
423.14465	1.5
424.15573	1.8
426.17322	2.0
427.13837	2.1
428.18823	1.7
429.11887	4.2
429.19885	1.5
435.14569	1.5
436.15350	1.9
436.99585	1.2
437.16125	3.8
438.16974	3.7
439.17749	4.7
440.18765	4.0
441.15704	4.1
442.16010	3.3
443.16711	1.3
449.16241	1.9
449.18741	1.4
449.25336	20.6
450.17343	2.5
451.18243	10.5
452.18341	4.1
453.20105	2.7
454.20410	2.1
455.13870	3.5
455.20786	4.3
456.17923	1.7
464.18729	3.0
465.19327	4.7
466.15533	8.7
467.16962	3.8
468.14325	2.1
469.14771	20.5
470.14883	7.1
471.20459	7.7
478.16089	2.2
479.17014	4.4
480.17856	3.7
481.18723	58.9
482.19354	12.8
483.16510	22.5
484.17108	9.6
485.18063	2.8
492.17682	2.9
493.19214	2.6
494.19440	6.1
495.20392	6.5
496.16727	1.2
497.18292	9.7
498.19107	14.3
499.19650	17.5
500.20178	2.9
501.17874	2.1
507.20264	10.4
508.20767	3.2
510.19022	1.8
511.19797	3.2
512.20166	1.6
513.21259	21.7
514.21564	2.8
525.21002	2.7
526.22034	2.6
538.18988	1.5
539.20160	1.9
544.23126	2.4
553.20874	3.2
555.30719	1.2
557.19983	5.6
558.20062	1.7
567.22412	60.9
568.22668	13.5
569.23718	3.2
570.20966	2.3
571.21704	5.4
572.22754	12.6
573.22522	1.7
585.23444	57.0
586.24017	35.6
587.24243	4.5
599.25342	2.2
613.22894	2.0
616.21533	9.7
617.26361	9.7
618.25848	2.2
627.24847	5.0
628.25488	7.6
630.23145	4.7
645.25507	100.0
646.25690	15.5
646.33539	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	645.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.2
57.03447	0.8
57.07067	2.4
57.79303	0.4
65.71414	0.4
67.05499	1.8
69.07074	1.9
69.08377	2.5
69.08806	1.6
71.08631	1.9
79.05496	1.2
81.07061	3.2
85.10184	1.1
87.46470	0.5
89.06019	0.8
91.05478	1.0
93.07045	1.1
95.08624	2.0
105.07032	0.6
107.08613	0.9
109.10155	1.0
121.10082	0.7
121.22763	0.5
133.10071	0.5
313.27301	0.6
333.20276	6.2
341.44183	0.4
354.71094	0.6
389.22940	5.3
390.23541	0.6
533.42120	1.4
547.39795	0.6
619.36981	0.5
645.46985	100.0
646.47357	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	646.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
53.64063	0.9
55.01878	6.7
55.05511	10.4
55.76649	0.7
57.03441	6.5
59.05003	1.0
61.02920	2.6
65.03947	0.9
67.05502	12.1
69.03426	7.2
69.07074	5.6
71.01359	0.8
71.04986	1.9
73.02892	0.8
79.05062	1.4
79.05494	16.9
80.05016	24.6
80.05751	1.3
81.03422	8.9
81.07059	15.6
82.06588	0.9
82.07410	1.0
83.04984	11.2
83.08617	5.5
84.04506	6.3
85.02899	16.0
85.06550	1.4
85.24316	0.7
86.06068	25.2
87.04481	1.1
91.04954	1.6
91.05465	10.4
93.07050	13.2
95.01321	2.0
95.04974	10.6
95.08603	13.9
97.02877	3.7
97.06523	12.8
97.10168	5.5
99.04438	1.4
102.05530	8.1
103.05453	1.0
105.07015	6.8
106.06559	5.2
106.07200	1.2
107.04961	6.0
107.08604	6.2
108.41370	0.8
109.02878	1.8
109.06507	4.5
109.10155	2.6
111.03804	0.8
111.04435	4.6
111.08076	1.1
115.05466	1.6
117.06998	5.0
119.04871	1.2
119.08580	6.1
120.08114	5.8
121.06494	3.8
121.10147	6.5
122.06038	0.8
123.04449	1.2
123.08068	12.1
125.09651	5.1
127.03909	1.2
128.06200	0.9
129.07002	3.1
130.05002	89.4
131.08536	5.1
132.04425	0.8
133.10124	3.4
135.04382	1.1
135.08055	2.9
135.11685	4.7
136.07558	1.5
137.09605	1.9
141.06961	1.7
143.08516	2.4
145.06516	2.6
145.10080	4.5
146.06024	1.0
147.04388	2.6
147.08058	3.2
147.09158	1.5
147.11688	1.1
149.09666	2.7
150.05563	1.3
151.07536	2.7
153.09108	1.5
153.12740	2.2
155.08559	1.4
157.06511	2.0
157.10115	2.2
159.08109	1.1
159.11742	2.0
161.06009	1.6
161.09637	1.8
163.03883	1.3
163.07480	1.0
163.11180	7.2
164.07118	2.1
165.06944	0.9
165.09012	1.1
165.10286	1.5
167.08571	1.5
167.10725	1.4
169.10065	1.8
171.08067	1.6
171.11665	1.3
173.09601	2.3
175.11142	1.7
177.12814	1.5
181.10109	1.7
181.12233	1.8
183.08041	1.1
184.07266	0.9
185.09628	2.1
185.13309	1.2
187.11186	5.2
189.11259	2.1
191.08136	3.5
191.10622	2.7
192.06587	4.7
193.12076	1.1
195.10095	1.1
199.11159	1.8
201.09097	1.0
205.12199	2.8
207.11818	1.4
209.09215	100.0
213.09102	0.9
213.12740	0.8
215.06950	1.7
223.11247	1.3
223.13321	1.2
225.08904	0.8
227.10703	1.8
227.12796	2.8
241.08580	1.5
241.12141	1.5
241.14351	3.8
259.09720	1.8
261.08780	3.3
283.15497	2.5
311.12701	1.7
311.19974	2.0
313.14236	0.8
321.18350	1.8
327.15836	1.1
329.21002	6.6
329.91119	1.1
339.19550	6.5
355.15283	3.2
357.20605	12.6
358.20758	1.2
375.21545	3.1
387.17999	1.3
423.13898	1.1
431.24271	49.4
432.24567	4.2
449.25320	53.9
450.25485	5.7
467.26208	2.6
646.31866	1.4
647.26917	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	646.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.4
55.01868	8.3
55.05514	16.5
55.80311	1.6
57.03442	9.6
61.02915	3.0
65.03935	2.9
67.05505	26.4
69.03433	11.4
69.07063	13.6
71.01399	1.6
71.04994	2.7
73.02905	2.0
79.05070	2.8
79.05499	31.4
79.85235	1.7
80.05007	2.1
81.03419	16.1
81.07057	27.5
83.04977	15.9
83.08620	10.3
85.02916	8.9
85.06564	2.9
88.66716	1.5
91.05483	23.5
93.07041	22.1
95.04983	17.8
95.08610	23.4
95.44866	1.6
97.02885	5.5
97.06535	22.2
97.10168	8.4
98.22545	3.5
99.04448	3.6
99.08080	1.9
99.64658	1.4
105.04505	3.1
105.07027	15.8
107.04984	7.7
107.08591	14.9
107.65138	1.5
109.02876	4.7
109.06499	6.8
109.10153	6.1
111.04464	9.7
111.05098	1.5
111.08073	3.7
112.04781	1.6
115.05435	2.0
117.07023	9.3
118.98069	1.5
119.04958	1.7
119.08582	10.1
121.02815	1.9
121.06498	8.5
121.10172	10.1
123.04433	4.3
123.08060	18.3
125.09589	10.5
127.03901	1.7
128.06281	1.9
129.06999	6.6
130.04979	4.0
131.04845	1.7
131.08562	10.5
133.06441	4.1
133.10118	7.3
135.04393	2.4
135.08037	8.1
135.11691	7.3
137.09555	3.4
141.06985	3.5
143.07063	3.9
143.08546	7.1
145.06467	5.3
145.10139	9.0
147.04350	3.9
147.08049	5.9
147.11696	2.4
149.09604	4.9
151.07533	4.3
151.11208	2.9
153.09106	2.1
153.12723	3.1
155.08543	2.8
157.06456	3.0
157.10124	5.7
159.08055	3.9
159.11670	3.3
161.05978	3.1
161.09624	4.3
163.03894	4.3
163.07565	2.0
163.11221	8.5
167.08516	2.7
169.10121	3.3
171.08098	2.6
173.06111	2.0
173.09628	3.0
173.13246	3.0
175.11124	3.6
177.12714	2.5
181.10204	1.7
181.12222	4.4
183.08101	2.6
185.09644	3.9
185.13220	1.8
185.87407	1.7
187.11220	6.8
189.09203	3.7
189.11171	3.7
191.10609	3.8
193.12210	3.2
197.09468	1.8
197.13214	2.0
199.11238	3.3
205.12218	3.4
209.09302	2.4
213.09018	2.3
215.07048	3.1
223.13252	2.0
227.10831	3.0
227.12776	5.1
233.15321	3.0
235.35141	1.9
241.08560	3.2
241.14340	3.8
255.12292	3.1
259.09558	3.3
259.13245	3.2
266.28467	1.6
283.15384	6.2
311.12750	4.4
311.19962	4.8
313.21713	1.6
321.18356	2.3
329.20984	11.7
337.14301	2.8
339.19543	14.8
340.19470	2.6
355.15295	6.3
357.20575	28.2
375.21530	5.0
403.24432	2.6
413.23291	3.0
431.24292	100.0
432.24600	10.0
449.25357	90.9
450.25696	6.8
467.26453	4.4
535.59924	1.7
646.31836	3.3
647.27380	2.3
647.36407	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	646.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.3
55.01868	9.9
55.05515	9.6
57.03431	6.8
61.02914	5.5
65.03937	2.6
67.05511	30.2
69.03437	10.5
69.07072	16.4
71.04984	3.3
71.08670	1.6
71.29778	2.3
73.02944	2.1
73.06533	2.6
77.13796	1.7
79.05498	31.2
80.05003	2.7
81.03418	24.5
81.07063	27.3
83.01332	2.2
83.04993	15.9
83.08609	5.7
85.02908	10.2
91.05485	38.7
92.05779	3.3
93.07041	25.5
95.04970	16.6
95.08610	13.1
97.02887	6.9
97.06527	24.9
97.10164	3.6
99.04446	2.8
105.07029	20.7
107.04945	9.7
107.08586	19.4
109.02885	2.0
109.06528	3.7
109.10134	12.2
111.04429	5.2
111.08092	2.1
113.05996	3.9
115.05452	3.0
117.07021	13.2
119.04953	1.8
119.08562	15.0
121.06480	5.2
121.10134	7.0
123.04433	2.3
123.08060	3.2
123.11726	1.9
125.05977	3.4
125.08856	1.7
125.09613	9.7
127.03991	2.4
129.06992	8.2
131.08569	9.0
133.06503	4.1
133.10126	19.3
135.04399	2.4
135.08041	15.7
135.11684	4.0
137.09590	5.6
141.06987	3.4
142.07843	1.7
143.07013	7.6
143.08568	4.1
145.06506	4.4
145.10115	5.0
147.04442	2.4
147.08047	8.1
147.11700	3.4
149.09615	4.6
149.13301	1.9
151.11198	8.9
153.09068	7.0
157.06461	2.0
157.10138	4.1
159.08081	3.0
159.11589	1.9
161.05997	2.6
161.08176	2.3
161.09613	4.3
163.03871	2.4
163.07529	6.8
163.11139	2.0
165.09088	2.1
167.08450	1.9
171.08020	2.3
171.11674	3.7
173.09662	2.9
173.13373	1.9
175.11133	3.2
177.09009	3.8
179.10637	2.5
183.11810	1.9
184.07487	1.9
185.09637	3.5
185.13348	1.9
186.36615	1.8
187.07492	2.5
187.11171	2.2
189.09096	2.7
189.22002	1.7
193.12216	7.0
195.08051	2.0
199.09569	2.0
201.09117	2.6
209.13374	2.3
211.11292	2.1
211.13286	5.9
213.09018	2.0
213.12654	2.4
215.07059	3.0
215.10669	2.3
231.13852	2.1
233.15280	2.4
239.12822	10.6
241.08594	4.2
241.12297	3.0
249.14844	1.8
255.12218	7.3
259.13229	2.3
267.15906	5.7
269.17355	3.1
283.15625	3.4
285.16992	3.9
311.12796	2.8
311.20041	4.5
313.14160	3.6
321.18253	2.5
329.21057	3.3
339.19559	11.0
355.15381	4.0
357.20599	22.2
375.21561	5.3
412.73679	2.2
413.22809	1.8
431.24286	100.0
432.24500	8.4
449.25345	69.9
450.25574	7.7
467.26404	4.5
646.25232	2.3
647.27307	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	646.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11114	1.3
53.03943	4.6
55.01875	6.7
55.05512	14.1
55.56635	1.3
56.97502	1.4
57.03164	2.0
57.03437	35.0
57.07071	2.6
59.04993	1.6
61.02913	2.4
61.67942	1.1
65.03931	1.5
67.05507	20.9
69.03422	3.6
69.07063	7.2
70.06595	14.6
71.01341	4.5
71.04991	4.2
71.08566	1.2
72.08138	1.5
79.05493	40.7
81.03422	12.4
81.07057	18.5
83.01328	4.8
83.04983	14.8
83.08624	17.3
85.02917	6.8
85.06517	1.7
86.09679	1.8
87.04489	1.4
88.07635	4.5
91.05476	14.9
93.07046	50.8
94.07391	1.7
95.04958	7.5
95.08596	12.5
97.02889	2.5
97.06528	9.4
99.04441	3.5
102.09151	3.1
103.05468	1.4
105.07043	13.0
107.04958	8.2
107.08596	12.9
109.02840	1.9
109.06508	5.1
109.10130	3.4
111.04409	3.5
111.08064	1.8
117.07011	7.2
119.08581	9.4
121.06490	2.8
121.10147	40.1
123.08070	5.1
125.06003	1.8
125.09627	1.9
129.07011	1.8
131.08598	8.0
132.10187	3.0
133.10132	1.5
135.08035	2.6
135.11717	8.0
138.34505	1.3
139.11186	10.8
145.10109	9.6
146.11722	3.8
149.02359	36.4
149.03458	3.4
149.09601	5.0
153.12758	1.9
155.08615	1.4
156.17471	1.7
163.11180	15.1
167.10686	11.4
173.09720	2.0
177.05461	1.5
177.95204	1.2
181.12212	2.3
185.11584	1.4
191.10736	2.0
193.04959	37.6
194.05139	1.7
200.20071	15.2
209.11717	4.2
227.12753	3.3
237.07629	8.3
241.14351	84.0
242.14716	3.4
244.22740	19.9
256.15262	2.0
269.04480	1.5
283.15411	52.4
284.15649	1.8
313.07034	1.9
341.06619	7.2
355.15302	2.2
359.07529	4.8
385.09210	14.3
403.10004	2.2
415.17465	2.5
425.15729	1.5
429.11765	20.6
430.11996	2.0
431.24127	2.7
438.16537	2.1
439.16989	2.3
440.18100	2.9
442.15668	2.4
443.16498	2.5
449.25351	100.0
450.25620	9.0
452.17801	5.8
453.18268	2.2
456.13068	2.6
457.18130	1.7
466.15454	1.7
466.19168	2.0
467.16669	2.8
469.14655	2.7
470.14993	9.2
471.20270	1.8
472.20416	3.8
473.14212	2.7
478.16113	1.8
479.16495	2.0
480.16721	1.7
481.18671	6.0
482.18988	28.8
483.18829	6.4
484.16849	9.9
485.17084	5.4
486.17456	2.5
487.19202	1.6
494.18939	2.7
495.19574	3.1
496.20233	2.6
497.17755	2.3
498.18378	4.0
499.19308	7.5
500.20261	6.1
501.19373	1.5
508.20630	3.7
509.21100	2.9
513.20984	2.9
514.21600	11.8
515.21655	1.5
540.19568	2.1
542.21393	1.5
545.23199	2.4
558.20850	2.2
567.22034	1.9
568.13751	1.9
568.22632	30.3
569.22174	6.0
570.24854	1.9
572.21765	4.2
573.23425	6.5
584.28168	5.0
586.23596	27.1
587.24231	16.2
588.24390	3.3
617.21930	7.0
618.25470	5.0
619.26245	2.0
628.24255	2.6
629.25568	3.5
630.25500	1.8
631.22827	4.3
646.24823	39.1
646.32416	42.4
647.24292	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	647.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31511	0.3
53.03941	0.4
55.05508	0.4
56.05027	0.5
57.03445	0.4
58.34771	0.3
66.00533	0.4
67.05508	0.6
69.03429	2.0
69.07069	0.5
70.06598	0.7
71.04955	0.4
71.10706	0.5
79.05497	1.4
80.05019	28.2
81.03421	1.6
81.07032	0.6
82.06583	1.2
83.04988	2.2
84.04506	7.4
84.08149	1.3
85.02908	14.0
86.06070	24.8
86.09715	0.4
87.04472	0.6
87.06454	0.4
90.79639	0.3
91.05501	0.5
93.07066	0.5
94.06551	0.6
95.01334	1.3
95.04971	0.9
97.02892	1.1
97.06535	2.1
102.05542	6.5
105.07027	0.4
106.06544	5.2
107.04958	0.4
108.08157	0.4
112.03968	1.1
113.02391	0.4
113.05983	0.3
118.06558	0.7
119.04988	0.4
120.08109	5.3
130.05005	89.6
131.05354	1.2
131.08569	0.3
132.04486	0.7
136.07591	1.2
137.09555	0.3
147.04413	0.9
147.09140	0.5
148.07582	0.5
148.11235	1.2
149.07129	0.9
150.05540	1.9
163.03928	0.8
163.08691	0.7
164.07065	2.3
165.10275	1.0
169.49290	0.4
173.05998	0.4
180.06567	1.2
188.07086	0.3
191.08156	3.5
192.06561	3.6
192.08206	0.5
192.10265	0.6
197.06021	0.3
198.05522	0.5
209.09216	100.0
210.07602	6.1
210.09541	3.9
211.07341	0.4
215.07030	0.9
227.48639	0.3
241.08377	0.5
242.55463	0.3
259.09647	0.7
261.08676	1.6
267.10208	0.3
287.05386	0.9
310.14731	0.4
311.12762	1.2
337.14203	0.4
355.15585	1.9
423.13666	0.7
425.16782	1.8
467.18219	0.8
486.18805	0.4
629.23871	0.7
647.23828	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31511	0.3
53.03941	0.4
55.05508	0.4
56.05027	0.5
57.03445	0.4
58.34771	0.3
66.00533	0.4
67.05508	0.6
69.03429	2.0
69.07069	0.5
70.06598	0.7
71.04955	0.4
71.10706	0.5
79.05497	1.4
80.05019	28.2
81.03421	1.6
81.07032	0.6
82.06583	1.2
83.04988	2.2
84.04506	7.4
84.08149	1.3
85.02908	14.0
86.06070	24.8
86.09715	0.4
87.04472	0.6
87.06454	0.4
90.79639	0.3
91.05501	0.5
93.07066	0.5
94.06551	0.6
95.01334	1.3
95.04971	0.9
97.02892	1.1
97.06535	2.1
102.05542	6.5
105.07027	0.4
106.06544	5.2
107.04958	0.4
108.08157	0.4
112.03968	1.1
113.02391	0.4
113.05983	0.3
118.06558	0.7
119.04988	0.4
120.08109	5.3
130.05005	89.6
131.05354	1.2
131.08569	0.3
132.04486	0.7
136.07591	1.2
137.09555	0.3
147.04413	0.9
147.09140	0.5
148.07582	0.5
148.11235	1.2
149.07129	0.9
150.05540	1.9
163.03928	0.8
163.08691	0.7
164.07065	2.3
165.10275	1.0
169.49290	0.4
173.05998	0.4
180.06567	1.2
188.07086	0.3
191.08156	3.5
192.06561	3.6
192.08206	0.5
192.10265	0.6
197.06021	0.3
198.05522	0.5
209.09216	100.0
210.07602	6.1
210.09541	3.9
211.07341	0.4
215.07030	0.9
227.48639	0.3
241.08377	0.5
242.55463	0.3
259.09647	0.7
261.08676	1.6
267.10208	0.3
287.05386	0.9
310.14731	0.4
311.12762	1.2
337.14203	0.4
355.15585	1.9
423.13666	0.7
425.16782	1.8
467.18219	0.8
486.18805	0.4
629.23871	0.7
647.23828	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.252
Annotation	Unknow
Peak:m/z	Relative Intensity
64.69311	0.3
69.03444	0.5
74.47157	0.3
80.05032	1.0
81.03410	0.4
84.04511	0.4
85.02901	0.6
86.06086	0.9
91.05466	0.4
97.06561	0.9
97.80946	0.2
102.05549	0.3
119.04967	0.4
130.05005	3.7
133.10098	0.3
141.22581	0.3
147.04428	1.1
163.03891	0.4
185.04277	0.4
199.06259	0.4
203.05327	0.9
209.09213	2.9
256.19333	0.3
259.07941	1.0
267.11063	0.3
277.08939	6.8
277.11832	0.5
293.67657	0.3
323.15015	0.7
347.09521	0.8
365.10474	1.8
421.13251	0.7
425.17215	0.9
468.17795	0.3
471.37537	0.3
485.19946	13.7
486.20245	1.2
647.25189	100.0
648.25452	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	647.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83879	0.4
55.05501	1.2
56.98975	0.5
57.07077	2.9
67.05497	1.6
69.07059	1.4
69.13788	3.1
71.08627	2.0
79.05493	0.9
79.19281	0.5
81.07053	3.3
83.08631	1.4
83.76633	0.5
85.04189	0.5
85.10188	1.0
91.05478	1.1
91.48454	0.5
93.07070	1.0
95.08622	1.9
97.06500	0.6
107.08607	0.6
109.10139	0.8
117.06924	0.5
123.04736	0.6
152.82597	0.5
159.11642	0.5
214.14923	0.6
217.99803	0.4
253.00035	0.5
271.98547	0.5
274.69925	0.4
311.39993	0.5
313.27478	1.7
335.21909	7.4
336.22650	0.5
391.24518	6.0
423.35077	0.5
502.69379	0.5
647.48529	100.0
648.48883	14.5
648.59778	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30275	1.2
56.96565	13.9
69.03423	2.2
71.05650	1.9
83.05035	1.2
84.96040	2.5
85.02893	1.7
97.02923	1.4
98.97581	90.0
110.97553	9.6
112.99141	2.5
116.98615	31.5
119.01937	1.5
124.99137	2.2
128.98598	8.4
131.00203	1.6
134.99651	6.6
136.99091	11.3
143.00156	4.0
146.99681	2.9
155.00157	35.5
156.96634	2.5
157.01707	2.9
158.99652	27.8
159.03296	6.9
161.01225	3.2
165.77437	1.4
170.08141	1.6
170.99664	4.3
173.01233	22.2
174.97653	4.4
175.02777	1.9
177.00734	18.8
177.04335	3.4
189.00696	2.2
192.98718	2.5
197.01218	75.1
198.01630	1.6
198.97641	6.6
199.02812	3.6
199.04518	1.8
200.99078	2.6
201.00780	3.4
201.04407	4.5
210.97665	8.0
214.44598	1.2
215.02304	39.2
215.05568	1.5
216.98703	18.9
217.03874	1.3
217.98781	1.3
219.01794	29.0
220.02161	1.6
221.04987	2.3
227.02347	2.0
228.98674	21.0
229.02249	1.9
229.98811	2.1
231.00221	1.9
233.03394	3.1
234.99747	4.8
237.02811	35.4
238.03633	1.4
239.00716	2.1
240.98714	3.3
241.02208	6.0
243.00294	5.5
243.05405	3.5
244.98256	2.2
246.99731	7.0
247.03458	1.8
252.98718	3.8
253.02357	2.1
255.00179	1.9
255.03879	3.4
257.03424	29.8
258.99878	5.7
259.03400	15.7
260.03882	1.4
269.01651	1.7
270.99844	7.3
271.03452	7.8
273.04922	2.1
282.99808	4.1
283.03384	4.2
287.04279	1.8
287.09482	1.5
289.00803	2.4
289.04141	2.5
295.03323	2.5
299.02960	1.7
299.06418	1.9
301.00745	5.6
301.04184	2.8
303.07510	30.6
304.07498	1.4
313.01025	2.6
313.04370	2.8
317.05463	20.7
319.01758	12.5
321.08563	35.3
322.08862	1.3
325.04684	1.3
331.01846	4.8
335.06500	9.4
336.06042	1.4
337.02881	3.8
339.05151	39.0
343.01746	1.8
343.05386	5.6
344.10693	1.3
345.03577	3.3
349.08035	23.7
353.03146	12.5
359.04965	1.2
361.02905	2.2
361.06622	11.6
363.09656	20.9
367.09119	13.1
371.08719	1.5
372.11319	2.9
373.02713	1.8
379.07480	4.4
385.05737	73.9
386.06122	2.4
389.09845	2.9
397.06738	1.6
399.05725	2.4
403.03033	2.1
403.08041	11.1
415.07431	1.8
421.05069	6.0
445.08307	2.6
487.09531	3.2
505.10672	4.4
589.16528	100.0
590.16785	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	649.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	12.9
67.50315	1.5
71.28190	2.0
77.70025	1.4
81.03398	2.3
84.96029	3.0
89.90720	1.3
97.02936	1.6
98.97582	62.7
108.13673	1.2
110.97565	10.7
116.98627	30.1
123.01985	1.5
125.05243	1.1
128.98618	9.9
131.00166	1.8
133.38504	1.3
134.99640	6.9
136.99124	5.7
143.00153	3.6
143.01888	1.4
146.99651	4.8
147.04333	1.4
155.00177	16.5
156.96640	2.5
157.01723	2.2
158.99644	20.8
159.03284	4.0
161.01205	3.3
161.03024	1.8
170.99640	2.3
173.01251	13.7
174.97678	5.7
175.02750	2.3
177.00725	17.6
177.04324	2.8
187.00285	4.1
189.00755	2.4
192.98734	3.5
195.01801	2.1
197.01227	40.7
198.04576	1.3
198.97563	9.7
199.02762	2.8
200.99103	2.4
201.00752	3.0
201.04224	2.9
205.01428	1.7
210.97704	5.9
212.99205	1.7
215.00818	2.1
215.02333	23.4
216.98694	37.9
217.98824	1.5
219.01778	19.5
224.02309	3.1
225.02046	1.3
228.98694	27.7
231.00302	2.6
233.03572	1.6
234.99751	12.1
237.02795	29.8
238.03815	1.8
239.00694	2.2
239.77261	1.5
240.98643	9.9
241.02318	6.3
242.03284	2.1
243.00290	4.6
246.99821	9.8
252.98705	5.7
253.02176	3.1
255.03848	2.4
256.98166	1.9
257.03586	17.4
258.91309	1.5
258.99765	14.1
259.03418	18.1
260.03763	1.7
261.01254	1.9
264.53375	1.3
269.01758	1.9
270.99738	11.9
271.02997	6.0
277.00742	2.2
277.04514	4.1
282.99728	4.8
283.03369	6.4
287.04379	1.9
287.09680	1.7
289.00830	3.3
293.05505	1.5
295.03409	2.7
296.03787	1.5
301.00949	10.1
301.04056	2.6
303.07477	17.3
313.00784	2.0
317.05478	18.1
319.01785	19.9
320.02188	1.5
321.08542	22.3
325.04831	4.4
331.01852	3.1
335.06390	10.8
337.02872	6.4
339.05173	19.2
343.01834	2.4
343.05450	8.6
349.08044	13.9
353.03162	7.3
355.05688	1.8
361.02631	2.1
361.06549	16.0
362.06696	2.1
363.09610	9.3
367.09048	10.1
372.11423	2.4
379.07510	6.0
385.05734	51.6
386.06958	1.6
399.05685	1.8
403.07660	28.0
404.07550	3.7
412.58997	1.6
415.07639	4.4
421.04938	4.6
445.08371	11.7
487.09476	4.0
494.12100	1.5
505.10553	3.4
589.16553	100.0
590.16998	12.1
649.18237	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	649.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.8
55.01876	1.4
55.05512	1.0
57.03441	2.0
60.89473	0.3
61.02927	3.6
67.05503	2.6
69.03432	3.5
69.07086	1.2
71.01352	0.4
71.04980	0.7
73.02929	2.7
79.05496	3.4
81.03416	5.1
81.07062	2.6
83.01344	0.4
83.04984	1.9
83.08649	0.6
85.02901	3.3
85.06567	0.6
87.04493	0.4
91.03960	2.1
91.05480	4.7
91.08585	0.4
93.07042	3.0
95.01545	0.3
95.04961	2.0
95.08636	1.6
97.02901	4.3
97.06531	5.8
98.23358	0.9
99.04454	0.9
101.02394	1.4
103.03965	0.5
105.07034	2.4
107.04964	0.7
107.08608	1.2
109.02909	0.7
109.06545	0.9
109.10182	0.8
117.07048	1.3
119.08580	4.5
121.06525	0.8
121.10175	1.5
123.08069	0.8
127.03937	1.2
128.06252	0.5
129.06989	1.0
131.08585	0.9
133.10132	0.6
135.08112	1.2
135.11713	0.9
137.09651	1.2
145.06509	0.4
145.10191	1.4
147.08034	1.9
149.09718	0.4
151.07571	0.3
155.08589	0.4
157.10165	0.7
163.03944	0.8
163.11218	2.0
165.09171	1.1
167.10675	0.4
171.11797	0.4
173.09630	0.5
173.13318	0.4
173.66600	0.4
185.04233	0.4
189.09125	0.5
194.11928	0.4
205.08315	0.4
213.09160	0.6
221.15750	0.3
239.12900	0.5
241.08742	0.7
243.08437	2.1
259.09769	1.3
267.13818	0.4
283.15500	0.5
311.12698	0.6
327.15750	0.6
337.14685	0.8
353.13882	0.6
355.15369	4.2
356.15991	0.5
373.16599	0.9
423.16238	6.4
439.15881	0.5
451.19736	0.5
467.18906	4.3
487.23260	0.6
508.39905	0.3
532.52881	0.4
649.28271	100.0
650.17688	0.8
650.28571	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	649.283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.6
55.01874	1.0
55.05505	0.6
57.03431	1.9
61.02929	3.0
65.03931	0.3
67.05505	2.0
69.01675	2.6
69.03432	2.2
69.07069	0.9
71.01367	0.6
71.04985	0.5
73.02911	1.9
75.40758	0.3
79.05495	2.6
81.03419	4.2
81.07056	1.7
83.04990	1.7
85.02904	3.5
85.06568	0.4
91.03956	2.2
91.05482	4.9
91.06010	0.4
93.07043	2.5
95.04962	1.3
95.08603	0.9
97.02893	3.4
97.06532	4.9
98.23383	0.5
99.04478	0.8
101.02390	1.3
103.03932	0.3
105.07034	2.0
107.04964	0.7
107.08591	1.0
109.02891	0.8
109.06529	0.5
109.10168	0.6
115.03897	0.4
115.05368	0.3
117.07037	1.0
119.08566	4.3
121.06517	0.6
121.10155	0.9
123.08077	0.6
127.03943	1.1
129.07013	0.7
131.08589	0.5
135.08072	0.8
135.11717	0.5
137.09642	0.9
145.04994	0.4
145.06468	0.3
145.10149	0.8
147.08043	2.1
155.08577	0.4
157.10101	0.3
159.11743	0.3
163.11197	1.4
165.09140	1.8
183.08076	0.3
185.04259	0.4
187.11588	0.3
189.09160	0.3
194.11836	0.6
211.07614	0.5
215.06990	0.3
239.12762	0.4
241.08685	0.6
243.08336	1.3
249.10991	0.5
259.09756	1.0
265.12369	0.3
272.04572	0.3
303.06888	0.4
311.12674	0.6
313.14316	0.4
327.16110	0.5
337.14398	0.7
353.13660	0.3
355.15439	3.8
356.15964	0.4
373.16449	0.6
382.27408	0.3
423.16248	8.4
423.21817	0.6
424.16510	0.5
467.18954	3.3
468.19531	0.6
487.23172	0.4
605.27216	0.3
649.28253	100.0
650.28564	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	649.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24836	0.6
53.83688	0.8
55.05510	1.2
57.07063	0.9
67.05510	2.3
69.04278	6.4
69.07074	1.2
71.08635	0.9
78.27573	0.6
79.05499	2.1
81.07050	2.9
83.04997	0.9
83.08623	1.6
85.40594	0.7
91.05493	2.7
93.07070	1.8
95.04977	1.0
95.08621	2.2
97.06561	0.8
97.10199	0.9
105.07027	2.1
107.08608	1.5
109.10155	0.9
119.08600	1.8
121.10125	1.3
123.08121	0.8
123.11759	1.1
125.39127	0.7
133.10155	1.5
145.10136	0.8
159.11673	0.8
172.54967	0.8
283.37421	0.7
354.36237	0.8
403.19147	1.5
404.20059	0.8
416.20203	1.5
417.20898	3.4
418.21393	1.2
419.22473	1.1
430.17996	2.0
431.17834	4.3
432.18945	1.2
433.23993	2.2
443.22955	0.7
444.18835	1.5
445.20056	5.5
446.21060	2.5
447.21655	1.6
457.20572	1.2
459.22067	5.8
460.22482	5.3
461.23340	4.4
462.23624	0.9
473.19321	6.8
474.19626	1.4
475.25171	1.0
487.21558	3.2
489.22809	1.7
501.23016	1.1
502.23523	3.3
503.24432	6.8
515.24115	1.0
517.22150	1.1
519.23883	1.0
520.37640	1.0
531.23773	0.9
533.23346	0.7
546.25580	1.0
547.27197	11.1
548.27240	1.7
561.24585	3.8
577.23828	0.9
589.28076	20.5
590.28094	4.2
605.25006	0.9
607.29187	3.0
639.54437	0.9
649.30170	100.0
650.30505	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	650.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.2
56.05035	0.9
57.07071	0.2
58.06622	0.5
59.05909	0.1
59.07369	0.2
60.08163	6.6
66.99511	0.1
67.05501	0.8
67.43015	0.1
69.07063	0.2
70.06588	0.1
70.59887	0.2
71.07370	3.9
71.08603	0.2
71.67171	0.1
77.83641	0.1
79.05491	0.3
79.37817	0.1
81.07053	0.3
81.48795	0.1
86.09703	32.4
87.10036	0.5
91.05450	0.2
95.08613	0.2
98.98460	4.1
98.99117	0.2
104.10744	2.3
105.07022	0.2
109.10160	0.4
116.23939	0.1
119.08562	0.2
125.00000	20.9
126.00376	0.2
143.01044	0.3
145.64465	0.1
176.29407	0.2
184.07336	100.0
185.07690	1.9
217.45491	0.1
219.15845	0.1
241.73976	0.1
344.87613	0.2
484.17813	0.1
496.34137	0.2
650.43915	5.2
651.44116	0.5
671.56927	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
65.03938	1.4
67.05504	5.1
69.03410	1.6
69.28322	5.8
69.97462	1.2
71.02467	2.1
80.05046	1.2
91.05474	10.7
93.05798	4.4
93.07035	9.7
93.08318	1.2
94.06585	9.3
95.04964	2.4
95.07366	1.6
96.04469	2.4
96.08139	3.0
98.06066	2.2
106.06563	2.3
108.04470	1.5
108.08123	20.9
110.06014	2.5
110.09681	4.7
117.07072	1.6
118.06541	1.8
119.04922	8.1
120.08114	7.1
121.06532	2.8
122.06030	18.2
122.09692	1.8
123.05556	2.4
125.07114	1.3
134.06013	1.7
134.09669	7.6
136.07578	45.3
138.09138	29.6
140.07065	3.2
144.08029	1.8
146.06053	4.8
146.09712	3.0
147.04440	5.0
147.06717	1.6
148.07599	1.8
149.07169	4.0
150.05521	1.9
152.07117	1.7
160.07626	3.9
162.05545	6.3
162.09135	12.0
163.08688	2.0
164.07066	100.0
165.07492	3.7
171.10600	1.1
172.07628	2.8
174.09106	6.1
175.05061	3.4
176.07112	2.2
177.06567	10.9
181.09726	16.0
182.08153	3.0
188.07140	4.1
190.08624	22.9
191.08084	6.9
198.09329	1.5
199.10124	1.7
200.07149	4.6
202.08817	7.7
203.08238	5.3
204.04958	1.4
204.06721	1.4
208.09775	2.5
212.10831	1.6
215.08063	1.7
216.10246	2.2
217.09727	6.6
218.08128	48.3
219.08813	4.9
220.09784	3.0
228.06587	6.8
229.09843	1.8
230.08192	5.1
235.10757	7.3
236.09274	2.9
240.10172	1.6
241.09821	1.8
242.08203	1.8
243.11452	1.8
244.09785	6.8
245.09192	3.2
245.12866	1.5
246.07684	3.5
248.09244	4.0
254.08081	1.9
257.09262	3.2
257.12897	1.8
258.11270	9.5
259.11102	1.9
261.08685	21.4
261.11511	1.9
263.10403	3.7
267.11325	1.7
269.09232	2.5
270.07739	1.4
270.11545	1.3
272.09232	4.6
273.12524	1.4
275.14059	2.0
285.08862	2.9
287.01328	1.4
287.10248	7.4
289.11737	2.1
290.10263	2.4
300.11386	1.6
301.11786	12.2
303.09839	1.6
305.11472	4.7
307.12808	1.7
313.08191	2.8
313.11829	2.9
319.14536	1.2
331.09381	2.8
335.17801	1.4
338.11273	1.7
340.13107	2.6
351.17020	4.1
358.14346	4.1
361.15485	3.5
379.16476	6.3
389.15268	3.9
394.17480	1.3
397.17618	6.9
398.17145	4.6
405.14743	1.4
406.17612	2.0
407.16089	10.7
410.16998	1.2
411.14630	1.5
417.14407	1.5
422.17630	1.7
424.18954	2.9
425.17090	20.0
426.16125	1.7
434.17032	2.3
435.15497	25.1
444.21490	1.3
450.16660	5.1
452.18146	9.7
453.16577	62.0
454.16354	6.5
456.17917	1.9
468.17371	6.5
470.19177	14.7
471.18649	2.4
478.16159	6.9
481.31906	1.5
488.20499	6.1
496.17133	21.5
497.17712	1.8
512.20074	1.9
514.18152	1.5
545.40479	1.2
587.24469	1.6
589.26703	2.1
597.23535	1.6
605.26038	2.7
615.24512	9.1
616.24249	1.4
633.25500	39.4
634.25677	6.7
651.26611	62.4
652.26721	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.0
55.01852	1.0
56.69449	0.4
65.03918	0.8
67.05487	2.2
68.07534	0.5
69.03418	0.7
69.72377	1.9
71.02457	0.6
79.05476	0.6
80.05013	0.7
81.07061	0.6
85.06495	0.6
86.52774	0.4
91.04974	0.7
91.05489	9.5
93.05811	3.0
93.07039	7.2
94.06578	4.0
95.04945	1.4
96.04474	1.6
96.08147	1.0
98.06040	1.4
98.22681	1.0
106.06569	0.8
107.07310	0.5
107.70071	0.5
108.04430	0.5
108.08116	14.3
109.06544	0.6
109.08476	0.8
110.06048	2.5
110.09648	1.8
117.07020	0.9
118.06525	1.9
119.04929	7.4
120.08100	3.4
121.06488	2.9
122.06031	11.1
123.05521	2.2
123.06303	0.5
124.06348	0.6
134.05997	0.8
134.09668	2.7
135.06726	0.6
136.07579	30.3
138.09138	6.7
140.07031	1.5
144.08093	1.1
145.06502	0.5
146.06024	2.9
146.09627	0.6
147.04399	3.8
147.05498	1.0
147.06740	1.1
148.07545	1.3
149.07085	3.2
150.05547	0.6
160.07574	1.9
162.05489	2.6
162.09137	3.9
163.08659	1.1
164.07065	100.0
165.07414	4.2
166.08701	1.3
172.07622	1.2
173.08397	0.6
174.09152	2.6
175.05023	2.6
176.07118	1.2
177.06595	7.4
179.08049	0.5
181.09756	7.0
182.08138	1.9
186.05548	1.0
188.07054	2.3
190.08656	8.5
191.08162	3.4
194.08075	0.6
200.07080	1.2
201.06651	0.6
202.08710	4.7
203.08205	1.7
203.28983	0.5
208.09662	0.7
213.10234	0.7
215.04515	0.9
216.10234	1.4
217.09656	1.4
218.08112	11.4
218.10092	0.9
219.08704	0.8
220.09648	1.4
228.06636	3.8
229.09703	0.7
230.08107	3.8
235.10843	1.6
236.09070	1.1
239.11844	1.1
240.10158	0.6
241.09834	0.8
242.08176	1.6
243.11264	0.8
244.09749	2.0
245.09285	2.0
246.07678	1.2
248.09178	1.3
257.12830	0.8
258.11292	1.5
261.08652	6.0
263.10318	1.2
265.09622	0.6
267.11316	1.3
270.07632	0.8
271.10696	0.9
272.09229	1.4
274.13220	0.6
275.13980	0.8
283.32028	0.5
285.08719	0.8
285.12280	0.5
287.10196	2.3
288.08759	1.7
289.12082	1.1
290.10208	1.2
293.09174	0.8
294.12598	0.7
295.10846	1.3
301.11887	3.9
305.11157	2.7
307.12933	1.0
312.13483	0.9
313.08368	1.1
313.11874	1.5
315.13565	0.9
319.14377	0.6
330.14697	1.3
331.09076	1.2
335.13763	0.7
338.11407	2.2
340.12939	3.8
340.85159	0.5
358.13864	5.3
361.15265	0.7
379.16626	1.8
383.16193	0.7
397.17401	1.1
398.17249	0.8
404.16074	1.0
406.17813	0.8
407.16080	1.5
408.15918	0.6
414.17017	0.5
416.18091	0.6
422.17227	0.5
424.18600	1.4
425.16907	3.1
426.15839	1.0
434.16946	1.3
435.15402	5.8
436.15903	0.8
450.16614	2.1
452.18082	4.9
453.16602	14.5
454.16751	1.5
467.19888	0.5
468.17621	4.5
470.19266	10.3
471.17889	2.5
478.15945	2.5
480.17899	0.8
488.20337	9.2
489.20627	1.4
496.16992	5.9
497.17545	0.9
503.19418	1.3
521.20532	2.0
522.20630	0.7
526.18683	0.7
587.25714	0.8
605.25995	0.5
615.24652	4.7
633.25513	13.2
634.25696	2.7
651.26581	32.7
652.27234	4.9
660.83557	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.7
65.03934	2.6
67.05502	6.0
69.03431	2.3
74.84483	1.5
79.05493	2.5
80.05016	2.3
85.06573	1.6
87.49119	1.5
91.05489	12.3
93.05789	4.4
93.07040	12.6
94.06580	13.6
95.04959	3.7
95.07349	6.6
96.04499	2.0
96.08143	11.7
97.06538	2.1
98.06095	1.7
98.22527	3.6
103.05489	2.7
105.12694	1.5
106.06524	3.0
107.07339	1.7
108.08124	28.6
110.09686	24.3
118.06525	1.8
119.04942	4.9
120.08104	26.5
121.06484	3.3
121.08860	2.7
122.06029	20.3
122.09650	5.1
131.07268	5.7
134.09666	3.5
136.07582	35.2
137.07945	2.0
138.09143	67.5
138.10204	3.5
139.09453	1.8
146.06026	2.6
146.09639	9.7
147.04405	2.0
148.07581	4.6
149.07124	3.1
150.05623	1.6
150.09160	4.4
152.07068	4.1
160.07573	1.9
162.05508	2.4
162.09171	4.2
163.08676	3.1
164.07069	78.9
165.07437	3.0
166.08655	12.7
172.07672	2.6
174.09132	19.9
175.08606	1.7
177.06596	5.2
180.06595	2.6
181.09703	8.9
182.08173	2.7
184.07582	1.5
185.07109	2.8
186.05521	2.0
186.07826	2.4
187.08647	3.5
188.07144	2.5
190.07072	2.0
190.08624	4.6
191.08206	7.9
192.10260	5.0
199.05029	5.4
200.05681	2.1
200.07286	2.2
202.08621	5.6
203.08211	7.7
203.19148	1.4
204.06625	2.4
205.06061	3.5
205.09700	3.5
206.08156	1.6
213.06616	3.7
213.10149	1.9
214.07123	1.8
215.08214	8.1
215.11684	2.4
216.10181	1.8
217.06113	3.4
217.09697	7.4
218.08234	1.9
220.09734	19.1
228.06528	2.8
229.06084	4.4
231.07666	4.4
233.09250	8.2
235.10678	7.6
240.10091	2.8
241.09671	2.7
244.09782	1.9
245.09146	8.3
245.12810	3.1
247.07242	1.6
257.09247	5.4
257.13077	2.8
258.11243	9.7
259.07281	9.3
259.10898	4.2
259.14417	5.2
261.08594	11.3
263.10214	5.7
271.07471	2.0
271.10858	1.8
272.09055	2.2
273.12137	1.6
275.13901	3.6
276.07330	2.1
277.08194	100.0
278.08670	2.8
285.08667	5.4
285.12354	3.0
287.10208	11.2
289.11658	2.4
301.11780	10.2
302.12823	4.9
303.09793	2.1
305.11337	14.3
307.12891	2.4
313.08191	8.3
313.11377	2.0
315.13379	2.6
316.14441	2.0
317.15009	3.3
329.15353	1.8
331.09143	3.0
332.13785	2.0
346.11716	2.3
350.14963	2.6
351.16873	3.0
358.13858	5.8
360.13373	6.2
361.14313	11.6
362.14941	2.1
366.18240	1.9
374.15021	5.4
376.16577	2.4
378.18143	2.0
379.16251	2.0
380.19797	3.7
382.21109	1.8
383.16068	3.9
396.15375	3.4
397.17548	3.4
404.16064	4.6
405.17035	2.0
406.13019	2.0
406.17685	27.2
407.15997	4.6
408.19250	2.1
410.16925	4.8
411.15460	3.4
414.16626	38.8
415.16739	4.6
422.16840	4.2
424.18781	8.1
425.17053	11.8
426.20364	3.5
428.18143	2.3
434.17136	4.4
435.15201	4.6
442.19781	4.9
450.16678	17.4
452.18149	11.5
453.16553	25.7
454.16446	1.9
456.21115	3.2
468.17719	12.5
470.19269	25.6
471.18683	2.8
478.16122	23.5
486.18558	2.7
488.20184	16.6
496.17166	45.4
497.17252	3.5
512.20020	3.3
514.17993	7.1
543.25757	4.1
573.22595	1.8
587.25073	10.4
588.24640	2.6
605.26019	27.9
606.25952	2.2
615.24554	18.4
616.24683	2.4
623.26599	2.9
633.25610	61.8
634.25476	6.2
651.26611	37.1
652.26440	6.6
658.73004	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.281
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
60.72825	0.9
67.54862	0.8
70.77800	1.5
72.04855	0.8
86.72424	0.7
108.60795	0.8
147.01790	0.8
215.12781	0.9
220.37599	0.8
277.94394	0.8
377.17639	1.1
388.17572	1.5
391.19199	2.2
398.15903	1.0
399.15967	2.6
400.16858	2.7
401.17914	4.0
402.18033	1.4
403.19168	1.6
405.21042	1.6
407.22052	2.7
412.17853	1.2
413.17508	2.7
414.18591	5.1
415.19330	8.0
416.19827	2.2
417.20874	1.1
427.19315	1.8
428.19946	3.4
429.20990	9.7
430.21561	2.0
431.18411	1.3
433.15973	1.0
434.20828	1.2
435.21558	1.3
441.16592	1.5
442.17136	1.0
443.18265	4.1
443.22559	3.8
444.18637	4.9
445.20279	3.2
447.18011	1.6
456.19131	3.0
457.20609	5.1
458.21118	4.0
459.22467	1.2
462.19705	0.9
469.16275	0.9
470.16940	1.4
471.22507	5.9
472.23019	6.3
473.19180	4.1
474.20184	3.7
475.18256	0.9
485.19589	3.7
486.20547	5.3
487.20993	2.9
488.22174	1.4
489.22360	2.6
490.20020	3.2
499.21417	9.8
500.21484	3.5
501.22821	1.3
503.24246	3.6
504.24365	1.4
516.21643	1.4
517.22351	6.4
518.22284	1.1
521.25818	1.3
527.20599	3.4
528.21704	1.5
531.23883	12.0
532.24152	1.7
543.23999	1.8
549.25037	6.9
559.23395	98.1
560.23669	13.6
587.22858	19.2
588.23523	2.0
619.25507	100.0
620.16248	1.4
620.25745	15.3
651.28156	15.6
652.28137	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	652.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
53.11902	1.0
55.01874	3.1
55.05516	8.2
57.03434	2.6
67.05516	8.7
69.03430	3.9
69.07062	5.7
69.86596	2.5
69.86983	2.7
71.01359	2.7
71.04987	1.7
76.33076	1.1
79.05495	7.0
81.03421	3.7
81.07055	3.9
83.04984	30.1
85.02916	3.2
85.06549	1.9
91.05489	3.3
93.07043	2.9
95.04970	11.0
95.08598	2.2
97.02908	2.3
97.06534	28.6
97.10220	1.6
98.06947	1.6
101.06011	1.4
105.07073	1.8
107.08555	2.1
114.16451	0.9
116.06226	1.1
119.08641	1.7
121.06598	1.1
121.10098	1.4
123.85780	1.2
125.09608	1.3
129.07034	1.8
141.06944	1.9
142.02229	1.0
143.08572	1.4
145.10176	1.1
147.04431	1.9
149.06049	1.2
153.06978	1.7
160.05257	1.2
161.05977	1.5
163.03883	2.4
167.08627	2.7
169.06497	1.5
169.09999	1.2
170.35704	1.1
171.08083	3.2
173.05986	1.7
175.03938	3.6
180.10284	1.1
181.06421	1.6
183.07994	1.9
185.09665	1.3
187.03917	3.0
187.07535	3.2
188.08282	1.4
189.01891	1.4
189.05557	1.6
189.09210	1.2
193.04959	2.3
193.12227	1.3
195.08061	3.5
197.06116	2.7
197.09644	3.0
199.03973	3.3
199.07527	5.1
201.05417	3.0
201.09123	4.0
207.02905	2.8
209.09694	1.6
211.07568	4.0
211.11128	1.0
211.13210	1.8
213.05449	2.5
213.09029	5.0
215.03389	5.4
215.07001	7.0
215.10617	1.8
217.05017	3.3
217.08545	1.8
223.07582	2.0
225.09230	3.2
227.07018	1.3
227.10590	1.7
227.12762	2.8
229.08594	2.2
235.07677	1.2
237.09013	1.7
238.09932	2.5
239.07001	1.5
239.10670	2.0
241.08492	10.3
241.12236	2.0
243.06496	2.8
243.10358	1.4
245.07982	1.9
251.10585	1.2
253.08675	1.3
255.10117	2.5
259.05801	1.2
259.09732	8.5
260.09976	1.8
261.07697	2.5
267.11258	1.3
267.13727	8.5
269.08014	1.2
271.09702	1.3
281.11499	1.2
281.15366	1.2
285.07660	1.5
287.09106	1.6
293.11719	4.5
295.13440	2.3
309.14807	3.5
311.12802	15.9
311.16208	1.0
312.13153	1.6
313.14288	1.6
319.13452	2.1
327.15930	5.6
337.14331	23.9
338.14700	2.4
355.15399	100.0
356.15598	7.1
373.16321	2.6
437.19891	1.4
437.25388	3.1
454.80048	1.4
455.20615	4.6
455.26303	2.0
469.65793	1.3
627.26556	1.1
652.28290	2.2
652.37500	2.4
653.28577	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01871	3.1
55.05510	9.5
57.03429	3.6
58.06604	1.9
60.29666	0.9
67.05502	11.5
69.03419	3.5
69.07076	7.9
69.96224	4.2
71.01363	2.5
71.04991	4.1
79.05499	12.7
81.03413	1.9
81.07040	2.1
83.04981	59.3
83.08629	1.5
85.02910	2.6
85.06540	4.6
91.05470	3.2
93.07021	2.7
95.04969	7.2
95.08571	1.6
97.02921	2.2
97.06532	92.3
97.10147	1.2
98.06870	2.9
98.23272	1.4
99.04484	1.8
101.06001	2.7
105.07059	1.2
109.02874	2.2
109.10161	3.3
111.04463	1.0
117.07082	1.1
119.08593	1.2
121.10193	1.0
125.09586	1.1
127.03898	1.4
129.06966	1.6
143.08542	1.6
145.06512	1.3
145.10089	1.5
148.05141	1.2
149.05959	1.0
157.06551	2.0
161.05969	5.4
162.03157	1.2
163.03934	13.2
167.08583	2.1
171.08105	1.7
173.06000	2.6
173.11848	1.3
175.03877	1.6
175.07523	1.6
177.05528	1.1
183.08098	1.6
185.09555	1.6
187.07538	2.7
189.05499	1.3
189.09076	6.0
195.08112	2.4
197.06065	1.8
199.07599	7.8
201.05446	1.3
201.09071	2.2
203.10686	1.5
209.11726	1.4
211.07483	2.4
212.08311	1.5
213.09135	3.9
214.06259	1.1
215.06987	5.7
215.10699	1.6
216.07755	1.4
217.08577	1.6
223.07558	1.6
225.09178	1.6
226.06313	1.1
227.10730	1.2
229.08652	2.0
229.14394	3.7
231.10260	1.3
236.15024	3.3
237.09247	0.9
241.08659	6.4
241.12259	6.7
243.06404	1.0
258.08823	2.4
259.09671	11.6
265.12341	1.1
267.13803	1.3
269.08136	1.5
271.09766	1.2
283.12912	1.4
283.15454	3.1
285.14746	2.1
293.11844	2.1
299.12796	2.7
309.14774	2.7
311.12775	22.8
312.13034	2.2
313.14319	5.9
327.15915	6.0
329.13687	1.3
337.14398	7.2
355.15390	100.0
356.15704	8.3
357.16833	1.3
372.30179	1.0
373.16400	3.9
437.25598	5.1
455.20441	6.0
617.25970	4.7
652.36823	2.9
653.29529	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.5
55.05513	6.4
55.44897	1.0
57.03449	2.3
57.33914	1.1
59.17688	0.9
63.17992	0.8
67.05507	7.7
69.03423	1.5
69.07069	4.0
71.01359	3.3
71.05000	1.2
71.74154	1.0
79.05508	5.3
81.03423	2.4
81.07057	2.6
83.04987	28.0
83.08614	1.2
85.02905	3.7
85.06551	1.5
91.05482	2.8
93.07052	2.4
95.04982	11.1
95.05582	1.5
95.08595	1.0
97.02911	1.3
97.06525	11.3
105.07045	1.4
105.76183	1.0
107.08604	1.8
117.06990	1.2
119.08568	1.4
122.09690	1.8
135.08051	1.1
135.11662	0.9
141.06987	2.0
147.04449	1.2
153.07018	1.5
155.08505	1.4
157.06509	1.1
159.08127	1.5
164.05031	0.9
165.06993	1.6
167.08615	2.0
169.06490	1.5
169.10127	1.3
171.08113	1.1
173.05988	4.7
175.03961	2.3
181.06561	2.2
183.08052	2.3
185.06056	1.7
185.09637	1.9
187.03893	2.8
187.07574	2.9
188.08336	2.0
189.09109	2.3
193.06476	1.1
193.10210	1.5
193.12144	1.1
195.08031	2.4
197.05960	2.8
197.09619	2.7
199.03888	2.2
199.07574	3.9
201.05481	3.0
201.09138	5.9
206.11189	1.0
207.02863	1.6
210.10327	1.2
211.07516	3.8
213.05415	3.0
213.09093	4.7
214.06271	1.6
215.03371	3.2
215.07005	14.1
215.10696	1.6
216.07495	1.2
217.05022	1.1
217.08545	1.7
219.08144	1.2
223.07521	2.1
225.05605	1.2
225.09116	4.1
225.12613	1.0
227.07025	1.7
227.10625	1.9
227.12781	1.6
229.08633	4.0
237.09062	1.5
238.09908	3.1
239.07135	1.2
239.10519	1.4
239.14246	2.5
241.04971	1.3
241.08540	6.7
243.06479	2.2
243.10295	1.1
249.09077	1.7
253.08670	1.0
255.10117	1.5
257.07959	1.6
259.09689	4.6
265.12137	1.4
267.10876	1.7
267.13666	8.9
277.08264	2.6
283.90817	0.9
285.07599	2.9
285.14691	1.4
293.11670	2.8
301.11099	1.0
303.08722	1.1
309.14825	2.8
311.12781	22.0
311.16412	1.3
312.13022	1.3
313.14420	2.4
319.13318	1.6
327.15793	3.5
329.13687	1.2
337.14301	12.6
355.15408	100.0
356.15729	7.8
373.16534	1.8
419.24152	1.1
437.25354	1.9
455.20392	1.8
617.25262	1.7
652.30011	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	652.369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.6
55.01871	2.1
55.05511	3.2
57.03436	5.9
58.06601	40.4
59.04981	0.5
59.06931	0.6
59.07381	12.2
60.08166	8.3
67.05514	2.6
69.03448	0.4
69.07078	0.9
70.55413	0.6
71.05000	1.1
73.02925	0.9
75.04481	1.9
79.05495	4.4
81.03403	2.3
81.07067	3.0
82.97547	0.4
83.01347	2.0
83.04977	3.8
83.08610	2.0
84.08162	1.2
85.02903	2.5
86.63007	0.3
87.04481	3.3
91.05467	2.6
92.05301	0.3
93.07049	4.4
95.04977	1.5
95.08575	1.4
97.02892	0.5
97.06536	1.9
99.04464	0.4
100.11245	0.4
102.05550	1.1
103.03973	0.3
105.05495	0.7
105.07047	1.7
107.04982	1.3
107.08604	1.8
108.40307	0.3
109.06535	1.2
113.05995	1.3
117.07030	1.3
117.07775	0.3
117.94360	0.3
118.83047	0.3
119.08560	1.5
121.06521	0.7
121.10143	0.8
123.08081	1.1
129.06993	0.5
131.07079	1.2
131.08636	0.4
135.08095	0.4
135.11700	1.1
137.09645	0.3
138.91086	0.3
144.10194	12.9
145.06485	0.4
145.10095	2.0
147.08003	0.3
156.67346	0.3
162.11247	5.1
181.12186	0.4
187.07474	0.3
198.05603	0.3
200.12955	0.7
217.97304	0.3
218.13873	1.4
227.12782	0.4
236.14922	70.1
237.15289	2.5
283.15515	0.9
339.17923	0.5
355.15475	0.9
356.46869	0.3
382.25833	0.7
408.24133	0.3
426.24850	9.5
427.25137	0.8
444.25934	23.9
445.26205	1.9
568.71014	0.3
634.35718	4.2
652.36896	100.0
653.37372	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	652.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.0
55.01828	4.6
55.05465	5.3
57.03438	6.2
57.07048	0.6
58.06551	42.8
58.06873	2.8
59.04968	1.2
59.07384	11.4
60.08113	9.7
61.02905	0.6
65.03901	0.7
67.05506	6.9
69.03380	2.1
69.07075	3.2
71.01343	1.2
71.04942	2.5
71.28685	0.7
73.02863	0.8
75.04440	2.1
79.05489	9.0
81.03430	5.6
81.07059	6.0
83.01286	2.5
83.04984	14.2
83.08558	2.2
84.05282	0.5
84.08080	1.2
85.02907	4.7
85.06516	1.4
87.04485	3.2
91.05487	5.3
91.35266	0.5
93.07039	8.1
95.04975	3.7
95.08601	2.7
97.02826	2.0
97.06530	12.9
99.04395	1.1
100.11204	0.8
101.05974	1.2
102.05495	1.1
103.03893	1.2
105.07036	3.6
107.04967	2.8
107.08588	3.9
109.02811	1.4
109.06457	2.0
109.10114	2.4
111.04398	1.5
113.05996	1.4
117.06982	1.9
119.08585	2.6
121.06496	0.8
121.10117	2.9
123.04381	0.8
123.08025	1.7
127.03844	1.2
128.06198	0.5
129.06963	1.4
130.07790	0.7
131.06970	1.5
131.08534	1.4
133.10081	0.7
135.08038	1.0
135.11642	2.5
137.09593	0.7
143.08545	0.9
144.10202	16.5
145.10103	2.4
151.11111	0.6
152.44426	0.5
153.12682	1.8
159.08022	0.9
161.02376	0.5
161.05937	1.8
162.03154	0.9
162.11256	5.3
163.03865	2.4
165.09108	0.7
173.05911	1.4
173.09599	1.3
175.07419	0.6
180.31178	0.5
181.12212	0.6
189.09082	2.4
191.10536	0.5
195.08037	1.1
200.12813	0.9
209.11720	0.8
213.08994	0.7
215.07088	1.3
218.13867	1.4
227.12764	1.7
229.14287	1.2
236.14923	84.3
237.15196	3.2
241.08553	1.7
259.09683	2.2
283.15488	4.5
303.08554	0.7
311.12881	2.7
313.14215	1.0
327.16031	1.3
337.14349	3.4
353.16214	1.1
355.15369	14.6
356.15585	0.9
373.16348	1.2
382.25949	1.0
426.19025	1.2
426.24814	11.5
427.19766	1.2
427.25177	0.8
437.25491	2.2
444.25928	24.5
445.26215	1.6
455.20847	1.2
491.26514	0.9
517.21259	0.6
617.26123	1.2
634.35663	3.9
635.30585	1.2
652.37146	100.0
653.38013	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
55.05512	3.3
57.03457	1.1
67.05519	3.8
69.07081	0.9
71.08636	0.9
79.05508	3.9
81.03453	1.4
81.07069	5.2
83.04992	2.3
83.08628	1.7
91.05484	7.2
92.05808	1.1
93.07050	4.7
94.06545	0.8
95.04980	2.4
95.08627	2.3
97.02927	0.9
97.06551	1.2
99.00805	1.4
105.07056	3.7
106.06538	0.7
107.04986	1.2
107.08617	1.8
109.02898	1.0
109.06557	1.0
109.10149	1.2
111.04468	0.7
114.13822	0.6
115.05441	1.0
117.07048	3.1
119.08601	3.2
121.06527	0.9
121.10109	1.1
123.04452	0.8
123.08044	0.8
128.06288	0.6
129.07027	2.8
131.08580	3.4
132.08905	0.8
133.10144	4.4
134.10555	0.8
135.08084	0.8
141.07033	1.0
143.08565	2.1
145.10172	1.7
151.11192	1.2
155.08464	0.8
157.10164	0.9
159.08113	0.9
160.00435	0.7
161.09680	2.3
163.11182	0.8
165.61584	0.7
169.10132	1.8
172.04060	1.3
175.53821	0.8
179.10715	1.5
187.11261	0.7
189.09169	1.2
193.93837	0.9
202.89766	0.7
211.08734	1.2
223.08650	1.1
225.11226	1.1
226.11513	0.9
237.10442	1.1
249.10294	1.4
253.09621	1.3
253.13557	1.2
253.80334	0.8
277.09729	0.8
281.12946	1.7
299.14886	6.5
300.15314	3.6
301.22079	0.8
304.02948	0.7
314.12723	0.9
326.12631	0.8
377.17886	1.1
379.19424	0.9
389.13736	1.0
391.15286	1.2
392.16360	0.9
393.21085	1.5
402.14832	0.8
403.15347	1.2
404.16238	1.3
405.17212	3.2
406.18002	1.1
407.18539	4.5
416.16800	1.2
417.17462	1.9
418.17462	1.1
419.18665	4.5
420.19730	1.8
421.16193	2.0
421.21017	1.5
422.21539	1.1
431.14456	1.2
431.19281	1.1
432.15622	1.1
433.20767	5.3
434.17313	1.5
435.17847	6.1
436.18912	2.6
445.16644	2.2
446.17288	2.4
447.18314	3.8
448.19043	1.3
449.19897	3.1
450.20657	2.6
451.21167	1.1
459.18408	4.1
460.18994	2.1
461.19806	4.7
462.20776	1.1
463.17426	6.6
464.18396	2.7
473.16382	1.1
477.19455	2.9
478.20120	4.8
479.20926	1.2
489.19177	2.0
490.19757	0.8
491.16916	1.4
492.17630	1.6
501.19177	1.1
505.18170	1.1
506.19391	1.5
507.23593	0.9
518.18970	1.0
518.28278	1.3
519.20538	2.9
520.20612	0.9
521.22388	1.9
535.23212	1.5
547.23547	7.5
548.23810	1.7
549.21484	2.5
550.21692	1.2
551.22046	1.4
564.23950	1.4
565.24652	4.2
566.23505	1.1
575.23169	4.5
576.22784	0.9
578.21600	2.2
579.22253	1.5
593.24017	19.1
594.24097	2.4
597.26910	0.9
603.22467	0.9
607.25415	5.8
609.24677	1.0
621.23334	3.1
625.26459	3.1
635.25006	25.3
636.25122	5.2
638.23291	4.4
639.24152	1.0
653.26007	100.0
654.26318	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	653.2607
Annotation	Acetylpringleine
Peak:m/z	Relative Intensity
55.01873	1.0
55.05512	3.3
57.03457	1.1
67.05519	3.8
69.07081	0.9
71.08636	0.9
79.05508	3.9
81.03453	1.4
81.07069	5.2
83.04992	2.3
83.08628	1.7
91.05484	7.2
92.05808	1.1
93.07050	4.7
94.06545	0.8
95.04980	2.4
95.08627	2.3
97.02927	0.9
97.06551	1.2
99.00805	1.4
105.07056	3.7
106.06538	0.7
107.04986	1.2
107.08617	1.8
109.02898	1.0
109.06557	1.0
109.10149	1.2
111.04468	0.7
114.13822	0.6
115.05441	1.0
117.07048	3.1
119.08601	3.2
121.06527	0.9
121.10109	1.1
123.04452	0.8
123.08044	0.8
128.06288	0.6
129.07027	2.8
131.08580	3.4
132.08905	0.8
133.10144	4.4
134.10555	0.8
135.08084	0.8
141.07033	1.0
143.08565	2.1
145.10172	1.7
151.11192	1.2
155.08464	0.8
157.10164	0.9
159.08113	0.9
160.00435	0.7
161.09680	2.3
163.11182	0.8
165.61584	0.7
169.10132	1.8
172.04060	1.3
175.53821	0.8
179.10715	1.5
187.11261	0.7
189.09169	1.2
193.93837	0.9
202.89766	0.7
211.08734	1.2
223.08650	1.1
225.11226	1.1
226.11513	0.9
237.10442	1.1
249.10294	1.4
253.09621	1.3
253.13557	1.2
253.80334	0.8
277.09729	0.8
281.12946	1.7
299.14886	6.5
300.15314	3.6
301.22079	0.8
304.02948	0.7
314.12723	0.9
326.12631	0.8
377.17886	1.1
379.19424	0.9
389.13736	1.0
391.15286	1.2
392.16360	0.9
393.21085	1.5
402.14832	0.8
403.15347	1.2
404.16238	1.3
405.17212	3.2
406.18002	1.1
407.18539	4.5
416.16800	1.2
417.17462	1.9
418.17462	1.1
419.18665	4.5
420.19730	1.8
421.16193	2.0
421.21017	1.5
422.21539	1.1
431.14456	1.2
431.19281	1.1
432.15622	1.1
433.20767	5.3
434.17313	1.5
435.17847	6.1
436.18912	2.6
445.16644	2.2
446.17288	2.4
447.18314	3.8
448.19043	1.3
449.19897	3.1
450.20657	2.6
451.21167	1.1
459.18408	4.1
460.18994	2.1
461.19806	4.7
462.20776	1.1
463.17426	6.6
464.18396	2.7
473.16382	1.1
477.19455	2.9
478.20120	4.8
479.20926	1.2
489.19177	2.0
490.19757	0.8
491.16916	1.4
492.17630	1.6
501.19177	1.1
505.18170	1.1
506.19391	1.5
507.23593	0.9
518.18970	1.0
518.28278	1.3
519.20538	2.9
520.20612	0.9
521.22388	1.9
535.23212	1.5
547.23547	7.5
548.23810	1.7
549.21484	2.5
550.21692	1.2
551.22046	1.4
564.23950	1.4
565.24652	4.2
566.23505	1.1
575.23169	4.5
576.22784	0.9
578.21600	2.2
579.22253	1.5
593.24017	19.1
594.24097	2.4
597.26910	0.9
603.22467	0.9
607.25415	5.8
609.24677	1.0
621.23334	3.1
625.26459	3.1
635.25006	25.3
636.25122	5.2
638.23291	4.4
639.24152	1.0
653.26007	100.0
654.26318	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	653.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.8
55.05514	7.8
57.03425	2.8
57.07092	2.7
58.06608	10.5
60.08197	2.2
67.05503	5.3
69.07079	5.0
71.08625	1.8
79.05489	5.6
81.07070	7.9
83.08661	2.4
91.05507	5.1
93.07033	5.2
95.08618	4.1
96.15858	1.9
97.10223	3.3
98.23464	4.2
100.11283	3.0
105.07024	2.5
107.08607	3.1
119.08562	3.1
121.10233	2.4
125.09624	2.3
131.08623	3.5
133.10117	3.0
144.10199	4.2
169.10266	3.0
184.07426	5.8
236.14879	18.4
363.16141	3.6
376.16910	2.3
377.17703	7.9
378.18304	5.4
379.19272	2.5
383.60571	2.3
391.19180	7.0
392.19904	6.8
393.20770	7.7
403.19473	3.3
404.20163	3.1
405.20850	8.3
406.21512	3.7
407.22156	13.1
419.22937	3.8
421.20224	7.0
431.18295	2.2
433.20258	3.7
434.21210	3.0
435.22134	16.1
436.22678	3.3
445.20419	3.8
446.20743	2.4
447.21960	6.3
451.21512	6.5
459.17468	3.5
461.24017	3.7
463.20712	2.4
465.19003	12.2
466.19907	5.4
473.19916	4.0
475.21356	3.9
479.20721	26.9
480.21439	7.3
481.35184	8.6
487.21115	4.3
489.23181	3.4
493.26071	4.6
501.19257	6.7
503.20929	2.7
504.20923	2.3
505.18689	8.6
507.23904	3.3
515.20837	8.2
516.21222	3.4
517.22363	30.3
518.22974	3.9
521.25458	6.9
522.26166	5.4
537.24939	3.5
547.23260	5.8
549.25055	40.9
550.25317	8.6
551.22418	12.3
561.25171	4.5
565.24414	8.7
566.25226	41.0
567.25824	5.8
575.23071	17.0
576.23187	4.2
593.23767	22.9
594.24341	6.7
607.25659	6.7
609.27112	11.4
620.23138	2.2
621.26642	7.4
635.24963	100.0
636.24951	15.8
652.47540	6.7
653.26038	84.4
653.37915	4.0
653.48077	6.3
654.26794	16.6
654.45538	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.01873	5.6
56.05032	2.2
65.03946	2.4
67.05499	7.5
69.13863	5.7
69.14278	5.4
71.02469	2.6
72.89434	1.6
76.60503	1.6
87.04463	1.6
89.06025	12.3
91.05473	7.8
93.05758	1.9
93.07040	6.4
94.06562	9.1
95.04967	3.6
95.07352	2.3
96.04469	2.7
98.06040	3.1
98.23431	2.0
108.08109	13.9
110.06035	6.9
110.09657	3.5
119.04938	6.2
120.08099	4.6
121.06487	2.8
122.06028	41.1
122.09670	2.0
124.07595	3.7
131.07301	1.9
132.08112	2.2
133.08601	6.5
133.90781	1.9
136.07581	50.2
137.05984	2.0
138.09146	20.1
139.09445	4.9
140.07072	7.2
144.08038	1.7
146.06024	3.3
146.09659	4.4
147.04384	4.0
148.07529	3.9
149.07108	2.2
149.36014	1.7
150.05472	5.1
150.09111	3.0
152.07062	2.6
153.10191	2.1
154.08612	17.7
157.36572	1.6
160.07587	5.1
162.05528	8.2
162.09099	3.0
163.08698	2.6
164.07068	100.0
165.07428	6.4
165.10271	2.0
166.08612	4.4
172.07614	7.2
174.09138	7.6
175.08678	3.6
176.07066	3.1
177.06613	15.0
177.11223	2.7
178.08704	1.9
180.10252	2.3
181.09715	33.7
182.08189	3.8
182.09924	3.0
183.11365	1.9
186.05594	2.9
187.08676	2.2
188.07082	6.8
189.10257	5.1
190.08626	7.1
191.08141	34.3
192.06537	2.3
192.08411	2.2
199.08653	4.0
200.07201	4.2
201.06618	7.7
201.10168	2.9
202.08760	25.9
203.04803	3.5
203.08145	48.8
204.06587	20.2
204.08470	2.4
205.09734	5.6
208.09763	3.2
213.10220	6.0
214.10672	1.8
215.08130	7.0
217.09747	34.8
218.08170	3.1
218.10063	2.2
219.11301	4.0
220.09688	6.8
227.08173	6.1
228.06598	5.0
229.06120	21.6
230.08185	18.7
231.07666	4.1
231.11272	5.4
233.09320	3.2
235.10780	7.0
241.09645	6.4
242.08017	3.2
243.07596	7.5
243.11330	5.4
244.09654	6.2
245.09219	57.3
245.12819	3.4
246.07443	11.0
247.10802	5.0
248.09203	14.7
257.09177	6.6
257.12839	4.4
259.10809	13.4
261.08682	40.1
261.12567	3.7
262.09067	5.7
263.10254	70.5
264.10571	2.9
269.09293	4.6
271.07169	14.0
272.09152	7.7
274.13174	2.7
275.13858	7.8
277.11859	4.6
279.13489	2.0
285.08713	8.6
285.12210	3.1
287.10287	31.9
289.08267	5.7
289.11929	5.9
290.10361	3.3
291.09866	2.9
299.13962	4.0
301.11865	22.0
303.09818	2.0
305.11310	77.4
306.11691	3.2
307.12881	20.4
313.08203	9.3
314.08710	2.0
315.09555	1.9
319.12918	6.3
321.14474	2.3
326.14984	3.0
329.11282	3.4
331.09323	10.2
333.10825	8.5
333.15216	1.7
336.17197	2.5
338.14825	5.4
340.12790	3.3
348.13373	3.1
348.51938	1.7
352.16577	3.9
355.16565	3.3
364.16498	3.7
366.18243	9.4
376.16495	3.9
378.17902	5.1
380.15781	2.8
394.17914	2.5
396.19247	2.7
397.17444	2.9
398.17108	16.9
400.18375	2.6
406.17575	5.7
414.20264	2.7
416.17715	2.0
420.19162	10.8
422.17026	7.5
424.18756	8.6
426.16180	7.9
438.20496	10.6
440.18149	7.0
442.19812	29.6
443.19626	2.1
450.16571	18.6
452.17807	5.6
460.20822	45.1
461.21124	3.7
468.17694	49.5
469.17902	6.6
470.19217	49.1
471.19479	5.3
472.20532	5.9
480.17636	9.3
481.18066	2.6
486.18808	11.3
490.21902	2.4
498.18707	10.6
499.24109	2.1
500.19055	2.4
541.24670	2.1
559.25024	5.7
587.24994	8.7
589.26428	8.4
605.26044	97.6
606.26428	13.8
617.25989	12.6
618.25745	2.1
623.27185	57.7
624.27679	8.6
635.27051	50.4
636.27069	7.9
653.28296	9.9
654.28296	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	653.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03410	0.8
70.09495	2.4
81.03493	0.8
85.02891	0.8
86.15183	0.7
89.62134	0.7
93.07043	0.8
94.06582	1.2
95.05016	0.8
98.22604	0.8
105.07039	0.8
108.08139	1.8
110.09706	2.0
120.08134	2.6
121.22170	0.7
122.06067	1.5
122.09696	0.9
136.07574	1.4
138.09126	9.5
139.09480	1.1
146.09708	1.2
147.04439	0.9
150.80168	0.7
164.07115	2.1
171.09160	0.8
174.09239	1.3
180.10210	1.8
187.08653	1.2
194.67915	0.8
200.09560	0.8
201.06723	1.3
202.07318	7.8
203.08220	0.9
211.08838	1.1
212.09489	1.0
213.10194	1.4
217.09689	6.2
220.09763	2.5
225.10286	3.5
226.11014	3.0
233.09247	4.5
235.10820	1.3
239.08081	0.8
241.09769	1.5
241.13292	3.7
245.09364	0.9
257.09213	12.8
259.10904	1.7
259.14450	1.8
261.08701	59.8
262.09158	2.8
269.09286	1.3
284.11700	3.1
285.08844	19.5
285.12448	60.0
286.09476	1.4
286.12747	3.0
287.10361	3.4
288.11346	2.1
290.13052	0.8
301.11926	2.4
302.12781	2.0
303.14172	0.9
305.11649	1.0
305.15445	0.9
313.08151	10.9
317.15125	4.0
318.15903	0.9
331.09219	13.6
332.09534	1.1
332.17590	1.4
333.10550	0.9
336.13617	2.4
345.14764	1.3
347.12775	3.0
348.13525	3.2
349.14304	1.1
350.15063	2.5
360.13544	1.2
361.14481	3.4
362.11047	1.1
362.15045	2.0
363.15601	1.0
364.16525	7.3
376.12766	2.6
376.16718	9.0
377.13318	1.2
378.13962	0.9
378.18253	2.2
389.13446	1.1
390.14432	1.1
391.15311	2.9
392.16013	2.9
394.17715	3.1
396.19376	1.6
398.16956	8.1
404.16074	2.8
406.17834	4.0
407.15015	1.4
419.93652	0.8
422.17075	61.8
423.17526	5.0
424.18637	22.8
424.24423	1.5
425.19067	2.5
434.17209	4.6
442.20023	1.3
444.21219	1.0
450.16614	1.3
452.18170	10.0
454.19681	1.8
467.17102	1.4
468.17636	54.7
469.18344	3.7
472.20825	1.9
480.17697	7.8
486.18683	1.8
498.18707	58.7
499.19019	5.4
589.26648	1.1
605.25989	22.7
606.26453	3.3
617.26111	6.0
635.27087	100.0
636.27386	14.4
653.27637	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.01873	5.6
56.05032	2.2
65.03946	2.4
67.05499	7.5
69.13863	5.7
69.14278	5.4
71.02469	2.6
72.89434	1.6
76.60503	1.6
87.04463	1.6
89.06025	12.3
91.05473	7.8
93.05758	1.9
93.07040	6.4
94.06562	9.1
95.04967	3.6
95.07352	2.3
96.04469	2.7
98.06040	3.1
98.23431	2.0
108.08109	13.9
110.06035	6.9
110.09657	3.5
119.04938	6.2
120.08099	4.6
121.06487	2.8
122.06028	41.1
122.09670	2.0
124.07595	3.7
131.07301	1.9
132.08112	2.2
133.08601	6.5
133.90781	1.9
136.07581	50.2
137.05984	2.0
138.09146	20.1
139.09445	4.9
140.07072	7.2
144.08038	1.7
146.06024	3.3
146.09659	4.4
147.04384	4.0
148.07529	3.9
149.07108	2.2
149.36014	1.7
150.05472	5.1
150.09111	3.0
152.07062	2.6
153.10191	2.1
154.08612	17.7
157.36572	1.6
160.07587	5.1
162.05528	8.2
162.09099	3.0
163.08698	2.6
164.07068	100.0
165.07428	6.4
165.10271	2.0
166.08612	4.4
172.07614	7.2
174.09138	7.6
175.08678	3.6
176.07066	3.1
177.06613	15.0
177.11223	2.7
178.08704	1.9
180.10252	2.3
181.09715	33.7
182.08189	3.8
182.09924	3.0
183.11365	1.9
186.05594	2.9
187.08676	2.2
188.07082	6.8
189.10257	5.1
190.08626	7.1
191.08141	34.3
192.06537	2.3
192.08411	2.2
199.08653	4.0
200.07201	4.2
201.06618	7.7
201.10168	2.9
202.08760	25.9
203.04803	3.5
203.08145	48.8
204.06587	20.2
204.08470	2.4
205.09734	5.6
208.09763	3.2
213.10220	6.0
214.10672	1.8
215.08130	7.0
217.09747	34.8
218.08170	3.1
218.10063	2.2
219.11301	4.0
220.09688	6.8
227.08173	6.1
228.06598	5.0
229.06120	21.6
230.08185	18.7
231.07666	4.1
231.11272	5.4
233.09320	3.2
235.10780	7.0
241.09645	6.4
242.08017	3.2
243.07596	7.5
243.11330	5.4
244.09654	6.2
245.09219	57.3
245.12819	3.4
246.07443	11.0
247.10802	5.0
248.09203	14.7
257.09177	6.6
257.12839	4.4
259.10809	13.4
261.08682	40.1
261.12567	3.7
262.09067	5.7
263.10254	70.5
264.10571	2.9
269.09293	4.6
271.07169	14.0
272.09152	7.7
274.13174	2.7
275.13858	7.8
277.11859	4.6
279.13489	2.0
285.08713	8.6
285.12210	3.1
287.10287	31.9
289.08267	5.7
289.11929	5.9
290.10361	3.3
291.09866	2.9
299.13962	4.0
301.11865	22.0
303.09818	2.0
305.11310	77.4
306.11691	3.2
307.12881	20.4
313.08203	9.3
314.08710	2.0
315.09555	1.9
319.12918	6.3
321.14474	2.3
326.14984	3.0
329.11282	3.4
331.09323	10.2
333.10825	8.5
333.15216	1.7
336.17197	2.5
338.14825	5.4
340.12790	3.3
348.13373	3.1
348.51938	1.7
352.16577	3.9
355.16565	3.3
364.16498	3.7
366.18243	9.4
376.16495	3.9
378.17902	5.1
380.15781	2.8
394.17914	2.5
396.19247	2.7
397.17444	2.9
398.17108	16.9
400.18375	2.6
406.17575	5.7
414.20264	2.7
416.17715	2.0
420.19162	10.8
422.17026	7.5
424.18756	8.6
426.16180	7.9
438.20496	10.6
440.18149	7.0
442.19812	29.6
443.19626	2.1
450.16571	18.6
452.17807	5.6
460.20822	45.1
461.21124	3.7
468.17694	49.5
469.17902	6.6
470.19217	49.1
471.19479	5.3
472.20532	5.9
480.17636	9.3
481.18066	2.6
486.18808	11.3
490.21902	2.4
498.18707	10.6
499.24109	2.1
500.19055	2.4
541.24670	2.1
559.25024	5.7
587.24994	8.7
589.26428	8.4
605.26044	97.6
606.26428	13.8
617.25989	12.6
618.25745	2.1
623.27185	57.7
624.27679	8.6
635.27051	50.4
636.27069	7.9
653.28296	9.9
654.28296	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	653.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47899	0.3
58.74753	0.4
60.51128	0.3
65.98670	0.3
67.05472	0.6
69.07059	0.4
71.08587	0.4
78.34948	0.3
81.07023	0.6
83.23432	0.4
89.05985	0.4
91.05466	0.5
94.06480	0.5
98.82549	0.3
106.06526	0.5
118.06470	0.8
120.05451	0.3
120.08086	0.9
132.08060	0.4
138.05455	0.5
143.53406	0.3
144.08028	0.5
147.53217	0.4
158.09702	0.7
159.09189	0.5
159.11665	0.4
172.03973	0.5
173.10713	0.4
184.07422	0.4
184.11311	0.3
194.08141	0.4
195.09033	0.4
196.09929	1.3
197.10710	0.9
204.06577	0.6
207.09134	1.1
208.09911	0.7
209.10712	1.7
210.11450	1.8
211.08540	0.3
211.12306	1.3
212.13008	0.6
219.09087	0.4
221.10690	1.5
222.11476	1.1
223.08586	0.7
223.12279	2.6
224.13084	0.8
225.10355	0.6
225.13866	3.8
226.14577	1.1
233.10614	0.8
235.08730	0.7
235.12291	1.3
236.14926	1.3
237.10219	1.2
237.13846	3.1
238.14461	0.4
239.15387	1.1
247.08595	0.7
247.12318	0.7
249.10231	2.6
249.13855	1.7
250.10893	0.7
251.08083	1.0
251.11861	0.8
261.13757	0.7
262.14633	0.4
263.08182	0.6
263.11560	0.4
265.09766	0.5
265.13297	0.4
270.13748	0.4
273.13925	0.5
275.08078	0.4
275.15466	0.5
276.09146	0.5
276.16089	0.5
277.09760	1.0
287.11765	0.4
293.09152	1.1
293.12564	0.4
298.13580	0.5
300.14948	0.4
301.12405	0.3
305.09103	0.4
308.11600	0.4
312.11398	0.5
316.14426	0.4
323.14050	0.4
324.15005	0.6
325.12149	0.6
326.12915	0.6
328.14633	0.5
335.10391	0.5
336.11026	0.4
337.11914	1.7
338.12753	1.0
338.16501	0.5
339.13507	0.6
340.14343	0.8
350.12903	0.8
351.13742	0.8
352.14478	1.3
353.15268	0.5
354.16040	0.6
356.17673	0.4
366.15942	1.2
368.13925	0.5
368.18054	0.5
373.14413	0.5
380.14038	0.8
382.15860	0.6
386.15491	0.5
387.15973	0.7
388.17239	0.7
389.17804	0.5
394.15515	0.7
396.13312	0.6
397.13977	0.6
398.14578	0.4
399.16876	0.4
400.17227	0.4
401.17679	1.4
402.18402	1.0
403.14874	0.8
403.19250	1.4
404.20990	0.6
412.16623	0.6
414.15057	1.0
415.15259	1.0
415.19351	1.2
416.16144	1.2
416.20654	0.8
417.16885	1.3
417.21027	1.4
424.12982	0.9
426.18567	0.6
427.18707	0.4
429.16830	3.0
430.17737	2.3
431.17563	2.6
431.22803	1.6
432.19424	1.2
443.19122	2.0
444.19370	2.2
445.20486	3.9
446.20880	3.1
447.21918	3.0
454.17981	1.9
455.18048	0.4
457.15930	0.8
458.21408	0.7
459.22348	5.4
460.22882	1.8
461.23584	0.7
471.18262	1.1
472.18881	1.4
473.19427	1.5
473.24460	0.9
474.19434	1.6
475.21176	2.3
476.21872	0.5
486.20459	0.5
487.21429	9.2
488.22061	1.6
501.23209	3.1
502.19138	0.6
502.24503	0.6
503.20782	1.0
504.21146	0.6
515.21021	2.1
516.21478	0.6
517.22839	0.7
518.22925	0.9
519.24207	2.9
520.24133	0.5
529.22375	3.5
530.22571	0.5
531.20343	1.1
533.25568	3.7
534.22443	1.9
546.22919	1.2
547.23529	3.1
548.24304	0.6
561.24957	100.0
562.25293	11.9
562.31647	0.3
589.24487	9.9
590.24615	1.2
593.27319	0.7
595.13135	0.5
621.27039	84.1
622.27368	12.8
652.47754	0.8
653.29230	0.9
653.48285	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03397	0.3
58.06576	0.5
60.54334	0.3
67.05473	0.8
67.79342	0.4
69.07023	0.4
71.08627	0.5
79.05439	0.6
81.07011	1.3
85.87803	0.4
91.05442	1.2
93.07013	0.9
94.06538	0.6
95.08596	0.6
98.23401	0.6
105.06987	0.9
117.05718	0.4
117.06976	0.6
118.06494	1.2
119.08542	0.4
119.99197	0.4
120.08062	1.3
128.50862	0.4
131.08551	0.4
138.05486	0.5
144.08064	0.4
146.05978	0.6
147.11702	0.5
147.52164	0.5
147.53268	0.6
156.08040	0.5
158.09619	0.6
172.03867	0.8
179.51367	0.4
182.09639	0.5
183.09097	0.5
193.07648	0.4
194.08243	0.9
195.09088	0.9
196.09879	1.0
196.64731	0.4
197.10735	0.7
198.11153	0.4
204.06560	0.8
207.09245	0.6
208.09830	1.0
209.10689	2.3
210.11452	1.6
211.12199	0.8
212.12996	0.9
219.09142	0.7
221.03555	0.4
221.07130	0.5
221.10693	1.7
222.11348	1.1
223.08647	0.6
223.12209	2.9
224.13043	1.4
225.13852	5.4
226.14546	1.4
233.10732	0.4
234.11566	0.5
235.08580	1.4
235.12257	1.3
235.14467	0.4
236.12877	0.4
236.15039	0.5
237.10063	1.1
237.13857	3.5
238.14604	0.7
239.15460	0.9
245.10925	0.5
247.08643	1.1
247.12219	1.1
248.09436	0.7
249.10167	2.8
249.13823	1.8
250.10706	0.5
251.08115	1.4
251.11774	0.9
261.13885	0.4
263.08078	0.7
263.11731	0.6
265.09796	0.5
265.13306	0.9
269.12878	0.6
270.13617	0.6
273.13907	0.4
274.14441	0.6
275.08041	0.5
275.15353	1.2
277.09622	1.6
279.11050	0.5
281.09161	0.4
293.09171	0.8
295.10889	0.8
298.13202	0.5
309.12433	0.8
311.14108	0.6
314.12924	0.7
314.16486	0.4
322.09604	0.5
324.11444	0.6
324.15268	0.5
325.12021	0.9
326.12756	1.1
335.10205	0.6
336.11227	0.7
336.15030	0.5
337.02527	0.6
337.11923	2.5
338.12738	1.4
338.16428	0.6
339.13342	0.6
340.14240	0.8
342.15948	0.5
350.12793	0.7
351.13629	1.0
352.14377	1.6
354.12213	0.5
365.11340	0.6
366.12057	0.7
366.16171	1.9
368.13879	0.9
370.15381	0.5
378.11893	0.4
380.13858	1.2
382.15604	0.9
387.16467	0.7
388.17297	0.7
389.17841	1.1
394.15671	1.0
396.13281	1.0
397.13675	0.5
399.16891	0.8
400.17557	0.6
401.18088	1.8
402.19012	1.7
403.19214	1.4
411.15698	0.6
414.14841	0.9
415.14697	2.8
416.15979	1.3
416.20038	1.4
417.16885	2.2
417.20853	2.0
422.14709	0.5
426.17719	1.1
427.18665	0.4
428.16547	0.7
429.17130	3.3
430.17569	2.4
431.17862	4.1
431.23257	1.3
432.18680	0.6
432.23651	0.6
433.20169	0.9
442.18860	0.8
443.18918	2.7
444.19678	2.8
445.20129	3.7
446.20853	4.0
447.21786	3.8
448.21976	0.7
454.17566	1.8
457.15778	0.5
457.20621	1.0
458.21432	0.8
459.22458	6.5
460.23132	1.9
461.23264	0.8
471.18356	1.4
472.18713	1.5
473.18350	0.7
473.23450	2.2
474.20447	1.5
474.25241	0.5
475.21021	3.2
476.21933	0.6
486.20383	1.5
487.21365	12.0
488.22272	2.1
491.20474	0.5
501.23166	3.8
502.23401	1.8
503.20807	1.6
504.21487	0.7
505.26038	0.6
514.19867	0.6
515.20776	3.0
516.21234	0.7
518.23206	1.3
519.24103	3.7
520.24530	0.8
521.25677	0.5
529.22321	4.2
530.22839	0.6
531.20300	1.3
532.20898	0.5
533.25696	5.9
534.22205	2.3
535.23535	0.9
545.25220	0.6
546.22601	1.4
547.23364	3.5
548.23206	0.6
561.24939	100.0
562.25226	13.9
581.24756	0.5
589.24426	8.7
590.24921	1.2
593.29419	0.5
621.27020	93.5
622.27356	13.6
635.28528	0.9
637.30573	1.1
652.47205	0.6
653.31561	2.6
653.48120	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.6
55.05508	1.1
57.07086	0.9
58.06594	1.4
62.80171	0.5
67.05509	3.6
67.52983	0.6
69.07073	1.7
69.91720	2.4
70.39712	0.6
71.08633	0.8
75.18483	0.5
79.05476	2.8
81.03428	0.9
81.07053	2.8
83.04991	0.8
91.05494	2.8
92.30405	0.5
93.07057	2.1
94.06557	0.7
95.08618	2.0
105.07048	2.2
107.08601	0.9
109.10170	0.8
113.60298	0.6
117.07040	1.7
118.06553	1.1
119.08595	1.7
120.08142	1.0
121.10096	1.0
125.09628	0.7
129.06963	0.8
131.08586	1.3
133.10126	1.0
135.11662	0.7
138.05466	0.6
143.08604	0.8
145.10123	1.2
147.11746	0.7
147.52295	0.7
147.53307	0.5
154.06586	0.5
158.09726	0.9
158.69156	0.5
164.07062	0.7
169.10138	0.7
170.09654	0.6
172.03960	0.7
178.04997	0.9
194.08211	0.7
195.09180	1.3
196.09843	0.6
197.10788	0.7
201.16284	0.6
204.06476	0.8
207.09288	0.9
208.09966	1.2
209.10742	2.6
210.11545	1.9
211.12230	1.1
221.10680	2.7
222.11588	1.9
223.08751	1.4
223.12352	2.1
224.13141	1.1
225.13908	5.3
226.14696	1.2
233.10690	0.6
234.11409	1.0
235.08665	1.5
235.12436	1.2
236.09468	0.9
236.15022	2.3
237.10265	1.5
237.14015	2.8
237.16130	0.6
238.14397	0.6
239.15382	1.1
247.08759	0.8
247.12154	0.6
249.10184	3.1
249.13893	2.1
251.08202	1.2
251.11873	1.1
253.09419	0.6
263.08350	0.6
263.11737	1.0
265.09671	1.2
269.13040	0.7
270.13550	0.7
275.08215	0.7
275.15576	0.9
277.09888	1.6
281.09213	0.6
293.09375	1.2
303.07629	0.6
307.10599	0.7
311.14313	0.7
312.15210	0.7
314.12891	1.0
322.13589	0.8
324.11523	0.7
324.15131	0.9
325.12079	0.9
326.12790	0.8
327.13922	0.7
328.14432	0.9
335.42148	0.6
337.12027	2.2
338.12833	1.6
340.14536	0.9
341.15604	0.6
342.15997	0.7
350.13019	0.9
351.13831	1.2
352.14407	0.7
354.12299	0.7
354.16162	0.8
366.12372	1.0
366.16489	1.2
370.15884	0.6
380.14172	0.7
387.16132	1.6
388.16901	0.9
389.17761	0.8
390.25137	0.7
394.15958	1.1
396.13626	0.8
397.14319	0.7
399.16931	0.8
400.17871	0.9
401.17831	1.7
402.18597	1.7
403.19424	1.8
406.06009	0.6
414.18777	0.8
415.15097	3.1
416.15744	1.2
416.20441	1.2
417.16650	1.6
417.21454	1.3
426.18546	0.8
428.16364	1.5
429.17044	4.7
430.18039	2.4
431.17801	4.1
431.23325	1.6
432.19470	2.0
433.20203	0.9
443.18869	2.3
444.19775	3.2
445.20389	3.9
446.20743	3.1
447.22275	3.0
454.17664	1.1
457.16068	1.1
458.16565	0.7
458.21909	0.8
459.22711	5.7
460.22641	1.3
471.18118	1.9
472.18872	2.3
473.19116	1.1
473.24738	0.8
474.20139	1.8
475.21323	3.5
476.21906	0.9
486.21194	0.7
487.21481	9.0
488.21854	2.5
489.23193	0.9
491.20462	0.6
492.21609	0.7
501.23129	4.5
502.20932	1.1
503.20297	1.1
504.22110	0.8
515.20782	1.8
517.22363	0.9
519.24487	3.5
520.24615	0.9
529.22253	3.2
531.20532	1.3
533.25848	3.7
534.22827	2.5
547.23358	3.0
559.22913	0.9
561.25000	100.0
562.25238	13.7
589.24347	9.3
590.24115	1.1
593.26624	1.2
603.22272	6.3
604.22668	1.0
617.66748	0.6
621.27057	92.5
622.27325	14.5
635.25616	1.1
635.46832	1.6
653.28955	3.8
653.48334	3.5
654.49030	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	653.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
60.46661	0.5
67.05470	1.5
69.06794	4.6
71.08582	0.7
79.05453	1.0
81.07014	0.9
91.05445	1.1
93.07041	1.1
95.08622	1.0
98.07149	0.4
105.06908	0.6
117.06993	0.9
118.06501	0.6
120.08091	1.3
120.95611	0.5
131.08545	0.8
132.08017	0.7
133.10092	0.5
138.05460	0.5
159.09079	0.6
168.08173	0.5
169.08847	0.6
172.03879	0.6
196.09839	0.8
197.10703	1.2
198.73927	0.5
207.09108	1.0
208.09822	0.8
209.10762	1.4
210.11444	2.3
211.12157	0.9
217.32448	0.5
220.09987	0.8
221.10689	1.6
222.11407	0.9
223.08733	1.2
223.12187	2.6
224.13037	1.3
225.10341	0.6
225.13908	4.4
226.14595	2.0
233.10609	0.6
234.11533	0.7
235.08690	1.3
235.12244	1.4
236.09406	0.7
236.14932	2.6
237.10226	1.2
237.13896	3.3
238.10663	0.6
238.14581	1.3
239.15372	1.7
247.08813	0.5
247.12340	0.6
249.10260	2.6
249.13972	2.4
250.11195	0.5
251.11775	1.4
263.08136	0.8
263.11584	0.6
265.09653	0.9
265.13351	0.8
270.13519	0.9
273.10532	0.5
275.15442	1.0
276.08914	0.7
276.15942	1.1
277.09708	1.9
293.09363	1.2
296.12296	0.6
299.14453	0.5
324.11255	1.0
324.15018	0.8
326.12729	1.1
336.11127	1.0
337.11951	2.9
338.12872	1.6
340.14600	0.8
350.13010	0.8
351.13712	1.1
352.14468	1.6
366.15918	1.4
368.13651	0.9
380.13916	0.8
382.15863	0.9
383.16406	0.7
387.16196	0.9
389.17801	0.7
392.17966	0.6
394.15515	1.4
396.13419	1.6
398.14487	0.6
401.17828	1.5
402.18317	1.7
403.19495	1.2
411.16000	0.8
412.16440	0.7
413.17389	0.7
414.14432	0.7
415.15652	2.3
415.32278	0.5
416.16116	2.2
416.20837	1.1
417.17114	2.0
417.21512	1.2
418.17706	1.6
424.12683	1.1
428.16611	0.7
429.16791	2.6
430.17599	2.7
431.17902	3.3
431.23248	1.4
432.18863	0.9
443.18845	3.0
444.19693	2.6
445.20361	4.7
446.20767	3.9
447.21808	5.0
448.22211	0.8
454.17197	2.3
457.20917	1.0
459.22427	7.4
460.22852	3.3
461.23700	0.8
471.18015	1.4
472.18997	1.7
473.18790	1.0
473.23563	2.0
474.19617	2.6
475.21222	4.3
476.21881	0.9
486.20319	0.9
487.21432	13.5
488.22134	2.9
501.22919	4.7
502.23306	2.1
503.21146	1.9
511.21750	0.6
513.20233	0.6
515.20654	3.7
516.22229	0.7
518.23413	1.5
519.23834	4.0
529.22345	4.8
530.22424	0.7
531.20551	2.0
532.21155	1.1
533.25635	5.5
534.22864	1.9
535.22998	1.2
546.22827	1.2
547.23340	3.0
561.24976	100.0
562.25391	13.9
589.24390	9.2
590.24500	1.5
593.27277	0.8
603.21857	1.0
621.27057	80.7
622.27539	13.5
652.48022	1.1
653.28259	0.6
653.47864	1.5
654.49030	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	653.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92487	0.4
57.07047	0.8
62.58548	0.5
67.05483	1.3
69.07043	1.0
79.05447	1.3
81.07028	1.6
83.04993	0.5
91.05465	1.2
91.81725	0.4
94.06557	0.6
95.08615	0.9
105.06989	0.6
109.10110	0.6
117.07033	0.5
118.06485	0.7
119.80816	0.5
120.08097	2.3
133.10077	0.6
134.05984	0.6
144.08057	0.7
146.05954	1.1
148.07501	0.8
164.07072	0.9
171.09167	1.1
172.03954	0.9
173.90720	0.6
196.09863	0.6
197.10730	0.8
204.06606	0.7
206.08437	0.6
209.10757	1.6
211.12280	1.0
223.08681	1.1
223.12314	1.2
225.10155	1.4
227.11690	1.1
235.08614	0.7
236.09346	0.6
236.15091	0.8
237.10225	1.9
239.11835	0.9
249.10242	1.6
250.10858	0.6
251.11798	1.3
253.13306	1.5
261.10190	0.6
263.08237	0.7
263.11771	0.6
269.12839	0.6
277.09781	1.4
278.10440	0.7
285.16068	0.8
295.10748	0.6
300.14832	0.8
305.09128	0.7
309.12622	0.7
311.14017	1.8
312.11435	0.6
313.12042	0.7
314.12778	0.8
314.16516	0.5
323.14221	0.8
324.11337	0.8
324.14896	0.8
325.12161	0.8
326.12976	2.5
328.14557	1.0
337.11926	1.4
338.12839	1.1
339.13620	1.3
340.14560	1.3
342.12460	1.0
342.16196	0.9
352.10583	0.8
352.14368	1.3
353.11227	0.7
353.15240	0.9
354.12396	1.8
354.16177	0.8
355.13025	1.2
356.13824	0.9
362.15997	0.6
366.12262	1.4
366.16287	0.8
368.13785	1.3
369.14557	2.3
370.15588	1.3
380.14108	0.9
382.15536	0.9
384.17325	0.7
387.16257	1.0
388.16818	1.1
389.17590	0.9
390.18628	0.9
391.19220	1.3
398.14987	0.9
400.16840	0.8
401.17825	1.4
402.18567	1.4
403.14847	1.1
403.19830	3.3
404.20200	1.2
405.20947	3.3
412.16815	0.8
413.17581	0.9
414.18262	0.6
415.14938	0.8
415.19632	0.7
416.16241	1.8
417.16220	2.7
417.21506	1.0
418.17853	2.0
419.17880	1.2
419.22473	2.1
420.23364	4.4
424.13025	1.4
426.18378	0.7
427.19553	0.7
429.17151	0.9
430.18005	1.7
431.18427	5.8
432.19485	2.8
433.20145	5.7
434.21121	1.2
443.18811	1.6
444.19916	0.9
445.20825	3.3
446.21252	7.9
447.21939	6.8
448.22665	5.8
454.17728	0.7
456.15372	1.0
459.17783	2.3
459.22482	2.1
460.23215	1.0
461.23840	0.9
463.21164	1.2
470.82275	0.5
472.18777	1.0
473.19803	1.7
474.20261	1.2
475.21048	3.2
476.21530	1.2
477.23178	0.8
484.14899	0.7
486.20367	0.8
487.21637	2.6
488.22250	0.8
491.20941	1.6
492.21484	0.7
501.23184	1.1
504.21671	0.9
505.22684	0.9
507.23776	0.9
514.19647	0.7
515.20929	0.6
516.17242	0.6
517.21863	0.6
518.23242	1.2
519.24243	3.6
521.25781	1.3
529.22467	0.7
532.21716	0.7
533.25952	5.8
534.26581	3.1
546.22406	5.7
547.23145	1.7
561.24976	30.5
562.25256	3.6
563.26947	3.6
565.27991	1.6
579.25873	1.5
589.24506	7.1
590.24554	1.0
593.27588	27.5
594.27936	4.4
611.28162	0.8
621.27063	100.0
622.27460	18.6
623.28070	0.9
653.29620	32.8
653.39130	1.9
654.30127	5.1
654.46204	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39420	0.6
55.01886	0.8
55.05533	2.2
57.07076	1.1
58.06607	1.0
61.75074	0.7
67.05518	2.8
69.07074	1.6
72.61768	0.7
79.05504	2.8
81.07069	2.6
83.05022	0.8
83.08640	1.0
91.05489	1.2
93.07066	2.2
95.08628	1.5
95.32809	0.7
97.06534	0.7
99.02745	0.8
105.07059	1.2
107.08631	1.2
109.06487	0.9
119.08629	1.1
131.08601	0.9
133.10126	1.0
144.98886	0.6
145.10188	0.8
151.04869	0.8
166.91414	0.6
171.11737	1.0
196.09972	0.6
209.10838	1.8
211.12396	0.7
221.10800	1.7
225.13666	0.7
236.15010	1.6
310.13443	0.8
311.14081	1.3
312.14990	0.8
314.16614	0.9
324.14972	0.8
326.16788	0.9
327.13739	0.8
364.17578	0.8
370.15347	0.8
375.16321	1.8
376.17615	1.3
377.17612	0.9
386.18854	1.4
388.18188	0.9
389.17468	4.2
390.18536	4.6
391.19226	5.0
392.20050	2.0
393.21750	0.8
398.18689	1.3
401.17728	1.3
402.18240	1.0
403.19339	5.8
404.19986	9.6
405.20703	26.4
406.21237	3.6
415.19339	1.0
416.20172	2.2
417.21094	5.4
418.21838	5.9
419.22369	17.8
419.68442	0.8
420.22980	7.8
421.23865	2.0
429.21152	0.9
431.17514	1.1
431.23273	3.7
432.23145	2.3
433.24002	12.5
434.18359	1.4
434.24554	8.4
435.18143	2.9
442.21594	0.9
443.17963	1.2
444.19565	0.7
445.20224	2.4
447.20865	5.7
447.26492	1.9
448.18649	1.1
448.26584	1.3
449.19449	12.3
450.20282	6.0
451.21353	1.2
457.24481	0.8
459.21890	4.1
460.22409	0.9
461.19708	1.2
462.20413	2.3
463.21277	13.4
464.21921	7.7
465.22586	5.2
471.17532	0.8
472.19092	1.2
473.19501	2.2
473.24585	1.0
474.20767	1.4
475.20508	3.4
476.22250	2.3
477.22968	8.5
478.23715	6.3
479.24408	52.6
480.24725	5.6
486.20319	1.1
487.21188	8.7
488.21918	1.8
489.22983	1.0
491.20667	3.2
491.24597	4.3
492.25183	4.6
493.25928	2.4
501.23080	4.9
502.23486	2.7
505.21835	1.2
505.26767	1.2
506.26691	2.0
507.27563	27.3
508.27850	3.4
519.23804	4.9
521.22101	1.0
533.25586	6.4
534.25427	1.7
536.24091	1.1
537.25012	13.8
538.25366	1.9
539.27332	0.9
541.35028	2.6
551.26544	44.3
552.26910	6.0
561.25128	8.6
562.25629	2.0
563.22772	1.5
565.28119	23.3
566.28851	100.0
567.29309	14.8
575.26483	1.3
577.24426	1.2
593.27533	11.6
594.27954	2.0
596.77606	0.9
603.26202	1.2
621.26990	17.2
622.27161	2.6
625.29657	1.2
635.28131	2.5
652.50391	1.1
653.29620	89.8
654.29993	16.2
654.47955	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.8
55.05511	1.0
62.45020	0.6
67.05499	1.0
69.07076	0.8
71.65417	0.7
72.60972	0.7
73.14929	0.7
79.05515	2.3
81.07058	1.6
83.08617	1.3
91.05477	1.8
93.07053	2.0
95.04997	1.0
95.08626	1.7
95.21361	0.8
96.29128	0.8
105.07053	0.9
109.10162	0.9
119.08627	0.7
162.73849	0.8
223.14908	0.8
243.57140	0.7
313.27438	1.2
377.17758	1.2
390.18518	1.6
391.19119	4.0
392.19873	1.3
404.20255	0.7
405.20654	8.0
406.21536	6.6
407.22131	2.2
419.22513	1.9
420.23117	4.6
421.23825	9.2
433.20209	2.8
436.18900	1.8
445.20343	1.0
449.19775	1.0
450.20880	2.1
451.21317	1.4
452.22290	2.5
460.22583	2.1
463.21552	1.3
465.22879	41.5
466.23279	4.2
471.18369	1.0
473.19525	1.6
475.25034	1.5
479.24371	8.0
480.25043	5.4
487.21252	3.1
488.21994	5.0
491.20966	2.8
492.21329	1.7
501.22751	1.8
502.23511	1.1
503.24423	54.7
504.24808	7.2
505.22546	1.1
507.27838	4.6
533.25549	0.9
535.27075	46.7
536.27185	6.6
551.26483	5.3
561.25220	4.4
562.25366	1.0
566.28998	1.6
579.26025	38.5
580.26343	7.2
593.27344	2.1
594.28278	19.9
595.28754	2.8
621.27057	22.6
622.27740	4.0
653.29651	100.0
654.30054	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	653.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	2.4
57.07083	1.8
58.06601	6.7
67.05517	3.3
69.07082	2.3
71.08630	1.5
72.08178	1.5
73.06569	2.3
79.05514	2.0
81.03441	1.0
81.07075	2.1
83.05014	1.7
83.08645	2.7
84.46413	1.1
86.09713	29.4
91.05488	1.5
93.07073	2.2
94.06615	1.0
95.08623	2.0
100.11260	100.0
101.06040	2.3
101.11599	1.7
105.07044	1.4
109.10203	1.2
117.07069	1.4
119.08579	1.8
120.08121	1.5
131.08569	1.7
135.11777	1.5
145.10107	1.3
146.11830	2.7
154.15932	4.7
172.13338	2.5
184.07414	3.2
186.15007	2.3
196.13373	1.4
204.06720	1.4
210.91023	1.3
214.14543	1.2
225.16124	1.2
228.15979	7.1
236.15079	1.6
248.32919	1.1
285.21814	7.8
313.24881	8.1
314.12796	1.2
337.11960	1.8
338.12949	1.3
341.24301	13.2
352.14761	2.7
369.15045	1.7
380.14322	1.3
402.18466	1.3
403.19681	1.4
405.21036	1.8
420.23169	3.1
431.18784	3.3
433.20258	3.6
445.20621	2.8
446.21365	7.8
447.22052	5.6
448.22839	3.5
454.33051	2.9
465.22989	1.6
472.33899	3.2
473.19656	1.4
474.20465	2.1
475.21475	2.1
476.21881	1.6
487.21634	1.8
501.23254	1.9
503.24124	3.8
505.22485	1.5
519.24139	3.1
520.24261	1.7
533.25500	5.1
534.26294	2.5
535.28357	1.5
546.22418	3.9
561.24988	19.7
562.25574	2.8
563.26306	1.9
579.25763	4.3
589.24536	4.9
593.27594	19.3
594.28204	4.4
621.27094	69.2
622.27515	14.5
625.45331	29.4
626.45593	2.1
638.27649	1.6
652.47705	1.6
653.29718	43.0
653.43695	6.4
654.29730	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	653.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02350	1.4
51.67046	1.2
53.03951	11.8
55.01868	20.7
55.05513	29.3
55.91043	1.5
57.03435	15.5
57.07064	2.4
57.47779	1.3
58.06599	9.4
58.15464	1.2
59.04998	4.2
59.07377	2.0
61.02942	1.9
65.03947	3.5
65.32738	1.4
66.26429	1.3
67.05141	1.9
67.05502	36.7
69.03431	27.3
69.07070	8.7
69.15644	9.2
71.01354	3.5
71.05000	12.9
79.05493	44.3
80.05824	2.4
81.03416	100.0
81.07053	32.3
82.07367	1.6
83.01336	13.6
83.04492	1.9
83.04984	38.3
83.08617	14.3
84.05295	2.7
85.02896	16.4
85.06535	2.9
87.43906	1.5
88.18972	1.4
89.51720	1.3
91.05471	29.5
93.07040	46.4
95.04965	15.9
95.08594	16.3
97.02892	31.6
97.06525	15.0
97.10164	6.0
99.04445	14.5
99.08138	1.6
103.05478	1.5
105.07031	18.1
107.04951	21.2
107.08593	25.8
109.02879	30.4
109.03622	1.1
109.06507	10.9
109.10146	9.5
111.04436	28.2
111.08071	8.8
115.05486	1.4
117.07006	16.6
119.08575	15.0
121.06499	5.5
121.10142	15.4
123.04450	2.0
123.08076	6.4
125.05982	4.5
125.09623	6.6
127.03899	20.9
129.06998	4.5
130.07762	4.0
131.04916	2.9
131.08557	10.0
133.06442	1.3
133.10162	3.4
135.04404	1.6
135.07980	3.2
135.11688	26.2
137.06004	1.5
137.09625	2.4
139.07579	1.4
143.08546	1.4
144.10233	2.5
145.06465	4.0
145.10112	30.5
147.04457	2.8
147.08032	4.5
147.11687	3.6
149.09634	2.8
153.12740	26.2
155.08577	4.8
159.08049	1.7
163.03874	2.2
163.11189	47.4
164.11525	2.2
165.05495	1.5
173.09641	9.3
181.12231	21.3
189.11243	4.1
191.10658	24.7
209.11700	20.3
210.11960	1.6
227.12772	53.2
228.13145	1.6
236.14940	13.5
237.15237	6.0
247.88811	1.3
263.12900	2.0
265.14294	3.5
275.12692	1.9
283.15399	87.5
284.15723	3.6
301.16293	1.8
311.15012	3.5
311.69641	1.5
317.13962	3.2
335.14981	2.2
353.15973	16.2
356.38162	1.5
371.17194	1.9
399.21832	1.8
405.25803	1.5
409.18585	4.0
427.19629	29.9
427.24713	2.2
428.19675	3.1
444.26010	2.1
445.26239	3.0
473.25107	4.0
491.26340	20.0
492.26462	2.4
509.27585	7.6
635.30548	42.2
636.30554	6.1
636.59033	1.4
653.30151	13.1
653.37463	16.8
654.30695	2.0
654.38782	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41709	0.5
55.05507	2.2
57.07051	0.8
58.06602	6.7
67.05497	1.7
69.07064	2.1
70.06575	0.5
70.42841	1.1
71.04983	0.7
71.08609	0.6
72.08161	3.4
73.06547	1.7
74.09108	0.5
79.05481	0.6
81.07035	1.4
83.04970	2.2
83.08635	1.1
85.08931	0.6
86.09707	31.8
87.04475	0.6
87.10069	0.6
91.05489	0.8
93.07035	1.1
95.04985	0.6
95.08620	0.8
96.08137	0.7
97.10170	0.9
100.11258	100.0
101.06023	2.2
101.11589	2.8
105.07019	1.0
107.08631	0.7
109.10175	0.6
111.69528	0.7
119.08614	0.7
146.11754	3.8
154.15894	3.5
168.13852	1.8
172.13348	1.7
186.14908	1.5
200.16492	1.8
214.14453	1.4
227.57362	0.6
228.15962	5.8
236.14961	1.5
285.21683	5.8
313.24796	7.6
337.27798	0.7
341.24353	13.6
342.24893	0.7
409.26996	1.1
426.33215	0.7
447.21545	0.8
454.32700	2.0
472.33945	5.0
481.35132	0.9
498.34625	0.8
526.35278	0.7
534.25891	0.7
551.44891	0.7
561.25006	3.4
589.24554	0.7
593.27515	1.3
621.27014	7.1
622.27264	2.0
625.45313	30.6
626.45490	3.4
653.30414	6.0
653.45361	6.7
654.29608	1.1
654.45361	2.5
678.10388	0.6
684.24835	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	25.5
67.05492	26.8
69.72094	100.0
83.04975	48.9
83.48551	21.0
91.05487	59.1
93.07072	32.5
94.02926	26.4
95.04963	29.8
97.02893	20.8
97.06533	62.7
119.04945	30.0
122.06012	30.0
136.07573	54.0
137.05988	39.3
138.09126	84.9
139.09468	28.0
147.04399	98.4
151.08675	20.9
164.07051	52.6
165.09067	25.8
182.08127	22.4
183.57280	21.9
203.08098	34.8
204.06520	23.1
245.09248	26.6
261.08560	38.1
263.10254	43.4
275.13696	21.7
287.10245	25.3
305.11343	53.2
306.11652	28.2
346.69470	21.6
427.20486	29.5
452.18326	30.1
474.31927	22.9
589.26038	30.5
606.25677	28.6
607.27271	38.5
636.25891	29.9
654.27216	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01837	1.9
55.05514	3.4
57.03434	4.4
57.07077	5.8
58.06601	33.9
59.07385	8.5
60.08168	7.8
67.05508	4.0
68.25787	0.5
69.07042	1.6
71.08626	3.5
71.27793	0.7
73.02916	1.1
75.04443	2.1
79.05485	2.9
79.24944	0.5
81.03403	1.1
81.07047	3.8
83.01257	0.5
83.04978	6.6
83.08616	1.1
84.08107	0.6
85.02904	2.8
85.10168	1.6
86.09689	0.7
87.04449	3.2
91.05453	2.0
92.63508	0.5
93.07044	3.0
95.08619	3.4
97.06524	0.9
102.05544	0.7
103.03956	0.7
105.05490	0.7
105.07005	1.8
107.04924	0.9
107.08528	0.8
109.06497	1.0
109.10127	1.4
113.05952	0.9
114.28513	0.5
114.50121	0.6
117.07012	0.8
119.08548	1.7
123.07997	0.8
128.06197	0.6
129.06987	1.7
131.07021	1.5
134.10472	0.6
144.09114	0.9
144.10201	14.2
145.10194	1.7
147.11649	1.0
162.11259	4.8
163.11124	1.4
175.01550	2.8
181.02646	4.8
184.07333	1.1
200.12704	0.6
218.13861	1.0
227.04799	1.0
236.14925	82.4
237.15398	3.6
257.05655	0.8
313.11966	3.1
339.18073	0.7
369.18359	1.5
384.34894	1.0
405.17447	0.7
426.25006	4.7
428.33667	5.5
444.25952	7.7
446.34802	14.4
447.35117	1.8
543.19147	2.2
585.27020	0.6
595.25598	4.0
599.25244	6.4
613.26770	2.7
636.44904	3.4
654.45776	100.0
655.31903	3.6
655.46075	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	654.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	0.3
53.01035	0.3
53.03951	0.6
55.01864	0.7
55.05518	2.3
56.05052	0.3
57.03156	0.5
57.03434	6.3
57.07076	5.0
58.06601	46.2
59.05023	0.2
59.06938	0.5
59.07382	11.9
59.73717	0.2
60.08164	10.5
62.26497	0.2
67.05503	5.1
69.03424	0.3
69.07068	1.9
69.50128	0.2
69.83051	0.2
70.37202	0.2
71.04992	0.5
71.08627	3.2
73.02917	0.8
75.04480	3.4
75.15993	0.2
75.94924	0.3
77.05128	0.2
79.05494	3.8
81.03414	0.4
81.07053	4.1
83.04976	1.1
83.08613	1.5
84.08137	1.4
85.02906	3.3
85.06586	0.2
85.10188	1.9
86.09731	0.6
87.04471	3.9
91.05473	1.9
93.07038	3.9
95.04983	0.6
95.08609	3.1
97.06523	0.7
97.10181	0.8
100.11256	0.5
102.05555	1.0
103.03944	0.7
105.05499	0.7
105.07037	0.9
107.04922	0.3
107.08601	2.1
109.10177	1.7
113.05994	1.2
116.10728	0.3
117.07014	0.5
119.08553	0.5
121.10165	0.6
123.11726	0.5
126.35556	0.3
128.94730	0.3
130.08646	0.9
131.07051	1.9
133.10150	0.6
135.11676	1.5
144.10197	16.7
145.10295	0.3
159.06641	0.4
162.11252	6.7
186.90974	0.3
200.12790	0.7
218.13913	1.4
222.13191	0.3
228.91542	0.3
236.14919	98.4
237.15224	2.7
251.80669	0.3
300.19757	0.3
311.18726	0.2
313.27295	1.2
335.26260	0.2
369.30002	0.5
398.25381	4.8
398.30209	0.5
399.25519	0.3
412.37924	0.9
416.26398	10.2
417.26749	0.8
456.36847	5.8
457.37024	0.6
474.37915	13.0
475.38052	1.1
562.25189	0.3
579.06445	0.3
654.49347	100.0
655.49713	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	654.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	11.7
55.05512	36.9
57.03434	25.0
57.07081	45.4
61.19591	6.3
65.03956	7.2
67.05510	68.4
69.07074	30.2
69.07745	50.2
71.04989	10.6
71.08633	34.1
72.34643	5.7
79.05493	46.0
80.31791	5.4
81.03412	18.7
81.07072	46.1
83.04998	6.9
83.08614	21.7
85.06544	6.0
85.10177	23.9
88.33335	6.1
91.05486	40.9
93.07045	38.8
95.04969	19.5
95.08622	41.6
97.06536	20.0
97.10175	25.9
105.07024	25.6
107.04949	22.5
107.08579	14.3
109.06507	20.3
109.10160	16.2
111.08079	7.1
117.07063	8.5
119.08562	25.9
121.02892	16.2
121.06514	20.4
121.10159	16.6
123.04440	6.6
123.08035	9.9
123.11666	11.0
125.06006	9.7
125.09609	24.8
125.10484	6.1
131.08600	11.8
133.06476	6.9
133.10133	14.4
135.08057	16.5
143.08612	7.8
144.98560	6.5
145.10104	16.3
147.07982	8.3
149.68382	6.2
150.42311	5.6
157.10097	9.1
159.08009	41.2
159.11630	7.9
161.09583	6.5
163.07524	19.6
171.11652	5.4
175.11246	6.1
177.09128	6.4
189.09045	5.8
189.11176	15.2
193.12224	6.8
194.06209	6.9
197.13185	6.3
200.75543	5.8
211.13449	6.3
219.13791	13.7
221.11638	11.3
227.12840	19.9
233.15385	13.9
236.07526	6.2
236.14825	11.3
241.12114	5.9
247.13287	10.5
253.15918	9.3
261.18567	9.4
269.72214	6.2
271.17017	14.5
289.17978	50.9
307.19171	17.7
313.16458	13.2
313.27414	100.0
349.76184	7.0
363.21539	11.0
381.22745	12.5
535.32123	8.1
601.44324	13.7
619.45355	7.7
654.48932	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2763
Annotation	Cryptophycin 1
Peak:m/z	Relative Intensity
50.45168	0.3
55.01863	0.3
55.05511	0.4
56.99162	0.3
57.70586	0.3
67.05509	1.3
68.64149	0.3
69.60524	0.3
79.05503	1.1
81.07068	1.3
83.08624	0.5
91.05482	1.4
91.82973	0.3
93.07055	0.8
95.04975	0.4
95.08604	0.8
102.29539	0.3
105.07059	0.8
107.04982	0.3
107.08591	0.5
109.06547	0.3
109.10172	0.4
117.07058	0.5
119.08607	0.8
121.10175	0.4
123.08035	0.3
128.02434	0.3
131.08594	0.8
133.10143	0.4
135.08147	0.3
145.10159	0.6
147.11780	0.3
157.09996	0.3
162.33778	0.3
163.11238	0.4
171.11574	0.3
175.11313	0.4
197.10739	0.3
211.08676	0.5
225.10329	0.4
229.28473	0.3
238.37416	0.3
248.02203	0.3
249.10301	0.3
250.10941	0.3
265.82413	0.3
275.19974	0.4
283.15393	0.4
299.14374	0.3
301.12140	0.3
314.13077	0.5
326.12930	0.3
330.16443	0.3
340.14746	0.4
356.13959	0.3
363.16452	0.4
364.16940	0.4
365.17789	0.9
376.17102	0.6
377.17819	1.3
378.18384	0.6
379.19431	1.6
380.19830	0.8
381.20828	0.4
390.14484	0.4
391.15469	1.1
391.19778	1.7
392.16293	1.1
392.20499	0.7
393.16913	0.6
393.20959	4.1
394.21280	0.8
400.17111	0.3
403.19586	0.7
404.16095	0.6
405.16748	1.9
405.21454	0.7
406.17331	1.5
407.18405	3.1
407.23077	0.4
408.19168	0.7
409.20383	0.8
415.19293	0.4
417.16946	0.5
418.17740	0.9
419.18585	3.1
420.19492	3.6
420.24390	0.3
421.15698	0.4
421.20380	6.2
422.21124	1.5
423.21851	0.5
429.17206	0.6
431.18753	0.4
433.15839	0.6
433.21185	2.2
434.21066	1.1
435.17795	5.3
436.18634	0.8
437.19827	0.9
445.20306	1.0
447.18286	1.5
447.22986	0.5
448.18552	1.7
449.19711	5.1
450.20276	2.0
451.21429	0.9
461.20035	1.7
462.20645	1.5
463.17050	6.3
464.17950	0.8
465.19296	1.0
473.19803	0.9
474.20602	0.6
475.21375	1.2
476.22345	0.5
477.18622	1.7
478.19833	2.0
479.20773	1.0
480.21701	1.2
481.21902	1.3
489.19281	0.6
490.19717	0.9
491.20325	1.9
492.21460	0.5
493.22394	1.0
495.20276	0.5
503.20459	0.7
505.22272	0.6
507.24188	6.5
508.23703	1.0
509.25558	1.5
517.22644	0.4
521.22241	1.4
522.22369	0.4
535.23596	4.6
536.23767	0.8
537.25055	1.0
549.25189	2.6
553.20880	0.5
559.23706	1.4
563.23090	0.8
567.26099	5.8
568.26416	1.2
577.24469	3.9
578.25372	0.5
581.24280	0.5
595.25519	10.7
596.26056	2.2
619.25873	0.5
623.24817	0.7
627.27789	2.6
628.28088	0.4
637.25708	0.4
655.27643	100.0
656.27930	15.9
656.37634	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2761
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
55.01882	0.4
55.05505	0.7
57.03428	0.7
57.07067	0.5
60.53982	0.2
67.05506	1.8
69.07060	0.7
69.58989	1.2
71.04970	0.2
71.08643	0.3
79.05495	1.8
81.03402	0.3
81.07064	1.8
83.04980	0.6
83.08630	0.8
85.02921	0.3
91.05476	1.4
92.89370	0.2
93.07056	1.3
95.04987	0.6
95.08598	1.2
97.06539	0.5
97.90060	0.3
98.22671	0.5
105.07056	1.3
107.04963	0.6
107.08595	1.0
109.06546	0.7
109.10155	0.6
112.14560	0.2
113.06036	0.3
115.08043	0.2
117.07005	0.3
117.09691	0.2
119.08608	1.1
120.08928	0.2
121.10148	0.4
122.24700	0.2
129.06969	0.4
131.08568	1.0
133.06514	0.3
133.10143	0.7
135.08076	0.5
135.11682	0.3
145.10130	0.9
147.11755	0.3
148.19632	0.2
149.09618	0.4
155.08618	0.4
159.11626	0.4
161.09718	0.4
163.11140	0.3
180.10048	0.3
204.06566	0.3
223.08861	0.3
225.10300	0.3
239.11771	0.3
239.23778	0.4
251.11789	0.3
255.31264	0.3
273.18436	0.5
275.20288	0.6
289.17889	0.3
291.19620	0.9
300.15286	0.3
313.27365	0.7
314.13025	0.6
315.13599	0.3
328.14554	0.4
351.19434	0.5
361.14456	0.3
362.15189	0.3
363.16330	0.4
363.21359	0.3
372.13913	0.3
375.16101	0.3
376.16898	0.9
377.17599	1.4
378.18454	0.5
379.19260	0.7
389.17776	0.7
390.18323	0.9
391.15250	0.6
391.19495	2.2
392.20084	1.3
393.20853	1.5
403.19650	0.6
404.16187	0.8
404.20667	0.5
405.16464	3.3
405.21088	1.3
406.16797	1.3
406.21729	1.1
407.18869	0.5
407.22577	4.9
408.22845	0.5
415.14871	0.3
417.17221	0.8
418.17340	2.1
419.18329	7.1
420.19025	2.6
421.20297	2.7
422.21039	0.4
423.17651	0.4
431.18808	0.6
432.19415	1.0
433.20435	11.1
434.21036	7.1
434.26859	0.4
435.21860	6.8
436.22372	0.7
437.19449	0.4
445.20331	0.4
446.20941	0.8
447.17941	2.0
447.22348	1.5
448.18719	1.0
448.23654	0.4
449.19556	2.0
461.19504	1.1
461.24512	0.6
462.20386	3.6
463.21542	3.4
464.21698	0.7
465.18643	1.9
466.19595	0.4
475.21875	1.4
476.22748	0.3
477.18597	0.6
479.20407	1.2
480.21768	0.3
481.22287	0.3
488.18262	0.4
489.23187	0.5
490.19449	0.7
491.20502	1.3
493.21692	1.7
495.20520	0.3
503.20602	0.7
504.21909	0.3
505.22287	0.6
506.23019	0.6
507.24194	0.5
508.20462	0.6
509.21732	0.5
517.22467	0.8
520.25018	1.3
521.25665	8.8
522.25879	0.8
523.27283	0.6
533.23297	0.4
535.23138	0.3
548.24060	0.9
549.25024	10.9
550.25232	1.7
551.22821	0.3
552.23755	1.0
565.24323	1.9
566.25000	0.5
567.26215	0.4
577.24445	7.1
578.24622	1.1
579.22418	0.6
580.26764	1.0
581.27405	1.4
582.28687	0.3
595.25446	4.8
596.25684	0.6
605.24359	0.6
609.27063	3.3
610.27759	0.3
623.25256	0.4
637.26447	6.3
637.38824	0.4
637.40875	0.6
638.26624	0.9
655.27570	100.0
656.27887	15.5
656.39203	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95086	1.3
55.05508	3.7
57.07072	1.6
59.67262	1.1
60.95214	1.4
61.02875	1.0
63.79151	1.1
67.05507	5.7
69.07066	2.7
69.12566	1.2
74.53394	1.1
79.05499	4.7
81.07062	6.1
83.04983	7.5
83.08649	1.9
91.05481	6.1
93.07034	4.0
94.06561	2.1
95.04967	3.5
95.08597	1.9
98.23365	3.6
104.37156	1.3
105.07014	1.6
106.88135	1.3
107.04949	1.9
107.08627	2.3
109.06536	1.4
115.96049	1.1
117.07025	1.3
119.08587	2.4
121.10201	1.7
129.06973	1.6
133.10136	1.7
135.11707	1.8
145.10135	1.4
159.11687	1.2
175.01593	3.8
181.02559	5.8
183.09219	2.4
185.45871	1.1
197.10867	1.7
199.12466	1.5
221.10764	1.6
223.08681	1.7
225.10297	2.2
227.04626	2.8
227.11816	11.0
229.62625	1.2
235.08760	1.8
236.09209	1.7
236.14937	2.4
237.10262	4.4
238.10884	1.7
239.11751	1.4
249.10255	3.1
250.11043	2.8
251.08232	1.5
251.11766	1.5
253.09741	5.3
253.14044	1.2
263.08353	1.6
265.09738	1.8
267.11264	1.4
271.10785	6.8
277.09665	1.6
293.09323	1.2
298.13318	2.1
311.13971	1.6
313.12012	4.1
326.12970	1.7
338.12930	2.4
340.14380	1.5
369.18240	1.8
377.17191	1.8
391.19012	1.7
403.15347	2.7
404.16220	2.0
405.16809	1.4
407.22522	2.5
417.17090	2.8
418.17691	2.1
419.18484	3.8
431.14590	2.2
433.20718	5.7
434.21240	2.7
435.21744	2.6
446.17429	1.8
447.22253	1.5
449.18924	1.5
456.15646	1.6
461.20059	7.3
462.20245	2.1
463.21280	2.4
475.21133	5.0
489.18918	6.1
503.20425	4.4
507.23907	2.4
517.18079	1.9
521.25775	2.8
531.19519	2.1
535.23224	17.4
536.22333	1.5
549.25378	5.5
563.22858	100.0
564.23138	10.4
577.24915	1.7
587.22986	6.9
588.23224	1.6
591.22223	11.2
592.22461	1.7
595.25305	2.4
599.25134	7.1
605.23773	2.9
609.26904	3.1
619.25305	3.8
623.25018	63.1
624.25745	6.9
637.26691	2.0
655.30536	32.0
655.41736	7.3
656.30884	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	655.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.7
55.05511	9.6
57.07068	4.3
58.06605	2.4
65.03950	1.8
67.05502	12.7
69.07060	6.5
69.22143	9.9
69.96516	1.8
71.04989	2.5
79.05486	14.4
81.07059	11.6
83.04985	19.6
83.08631	3.9
91.05463	11.6
93.07046	12.3
95.04952	6.7
95.08616	6.0
97.06538	2.6
98.23322	4.1
105.07037	7.2
106.06525	3.9
107.04986	2.2
107.08588	5.8
109.10197	3.9
111.37479	1.7
117.07048	2.5
118.06516	2.1
119.08565	5.2
121.10168	2.6
129.06984	5.6
130.83832	1.9
133.10136	4.8
134.06000	12.6
135.11638	2.3
145.10120	5.3
147.07994	3.2
147.11702	6.4
159.11641	2.9
163.11368	2.0
167.46353	1.9
175.01530	8.4
181.02594	15.8
195.09157	3.4
207.09125	6.2
208.09816	2.2
209.10664	4.1
210.11511	3.1
212.13237	3.4
220.82106	1.9
221.10808	6.4
222.11435	4.6
223.12311	5.8
224.13025	2.7
225.10257	2.8
225.13815	5.9
227.04758	4.3
231.09227	4.9
232.09967	17.6
235.08582	4.6
235.12364	2.6
236.14922	6.3
237.10184	4.5
237.13904	8.7
239.15387	3.2
247.08711	4.3
247.12251	22.9
249.10225	6.2
249.13914	4.5
251.08051	3.4
253.09723	2.7
253.13190	2.4
263.11838	2.9
265.09604	2.0
265.13330	4.9
267.11942	2.6
267.14758	11.6
273.18399	3.8
275.08124	5.5
275.11575	3.5
275.20224	2.7
277.09695	4.8
281.12820	5.3
283.10825	2.6
283.14236	2.1
285.15952	2.1
291.19586	9.6
293.12857	57.5
294.13202	4.3
303.07584	20.3
311.13901	32.0
313.12234	12.4
325.12103	4.1
326.12799	2.6
328.10873	2.3
331.07126	6.8
332.17444	3.7
338.12790	2.3
339.13440	2.1
340.14441	3.8
342.11893	2.0
351.09885	2.8
356.13727	2.1
357.10846	2.9
363.09647	12.5
365.23450	2.4
368.13986	6.2
369.18317	3.1
375.26831	2.3
382.15610	3.1
400.16364	3.2
410.14883	3.7
413.17914	2.3
419.18417	3.0
426.14447	2.9
428.16135	3.4
433.20212	4.0
435.21841	2.6
441.17065	2.7
442.17969	2.7
457.20242	3.5
461.19394	3.9
469.16672	5.4
470.16986	6.0
472.18561	4.7
475.20911	4.3
485.19778	4.3
489.22760	4.5
491.20306	4.0
498.16211	5.9
499.21634	11.3
500.21838	2.9
503.20691	4.2
513.18585	2.3
516.17584	34.0
517.23022	11.4
527.20978	17.8
528.21936	3.9
530.19055	4.0
543.17664	4.7
543.24054	7.9
545.21790	5.3
549.25128	4.8
555.20081	3.2
559.23175	4.7
563.22321	3.9
577.23895	4.8
581.23737	3.8
585.26855	5.6
587.22858	100.0
588.23047	15.5
595.26630	3.2
599.25134	19.1
605.24109	14.4
609.26563	2.6
611.29114	3.9
613.26355	8.2
619.25500	86.9
620.25787	13.4
623.25000	10.5
627.27905	4.4
637.26813	15.9
638.27100	2.5
655.29651	41.1
655.42102	10.3
656.30249	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	655.312
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74437	0.2
62.48974	0.2
67.05502	0.4
69.07063	0.3
69.14462	1.3
69.14867	0.5
71.85919	0.2
72.37479	0.3
77.55655	0.2
79.05505	0.4
81.07080	0.4
91.05476	0.4
104.68089	0.2
135.11700	0.2
151.54202	0.2
183.46094	0.2
204.52444	0.2
235.12389	0.2
237.14116	0.3
290.77176	0.2
291.19556	0.2
302.12967	0.3
340.14587	0.3
376.16580	0.4
377.17526	0.4
379.19217	0.5
390.18289	0.3
391.19275	1.4
392.20035	0.8
393.20743	0.5
403.19125	0.4
404.20212	0.6
405.16208	1.6
405.21048	1.1
406.17770	0.7
406.22089	0.6
407.22388	4.7
408.22644	0.8
418.17752	0.8
419.18112	3.6
419.23389	0.5
420.18646	1.4
421.19907	1.9
432.19559	0.7
433.15387	0.3
433.20609	5.5
434.20926	5.8
435.21811	9.0
436.22256	1.6
446.20987	0.8
447.17685	1.4
447.22028	2.1
448.18192	0.7
448.22830	1.1
449.19006	2.0
450.19693	0.4
451.21326	0.4
461.18768	2.0
462.20200	5.2
463.21204	4.8
464.21793	0.5
465.23135	0.4
475.21198	1.7
476.22034	1.0
477.23007	1.9
478.23679	0.7
479.20596	0.7
489.23029	1.2
493.22302	0.9
493.26282	0.3
494.22827	0.4
495.23672	1.1
504.21768	0.2
505.22385	0.4
506.23434	0.4
507.19421	0.6
507.24319	0.8
508.24680	2.2
509.25644	2.5
521.25732	10.8
522.25842	1.8
534.23389	0.3
535.26514	0.9
540.27283	0.3
547.27289	0.7
549.24933	20.2
550.25488	2.9
553.24805	0.9
563.26678	2.8
564.27014	0.8
565.28156	0.4
567.26703	0.4
577.24713	0.5
580.24384	0.4
581.27637	3.9
582.28290	0.5
595.29346	9.0
596.29193	1.2
607.29279	0.6
609.27032	11.2
610.27551	1.6
623.28693	1.2
624.30005	0.4
655.31201	100.0
656.31512	16.7
656.47729	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69839	1.0
53.03934	1.9
53.35896	1.2
55.01870	2.5
55.05505	2.1
57.07077	1.1
65.03935	1.3
67.05494	6.2
69.03416	1.6
69.07052	2.3
69.14304	1.0
69.14618	9.7
77.81738	1.3
79.05503	6.1
81.03418	1.4
81.07051	4.5
83.04948	1.3
91.05498	7.0
91.62466	1.1
93.07050	5.2
94.06544	1.9
95.08604	2.2
97.06522	1.3
100.06047	1.2
105.07046	2.6
106.06521	1.6
107.08581	1.3
107.19464	1.3
108.08134	1.5
109.06532	1.5
109.10155	2.1
117.07033	1.9
119.08565	2.7
120.04488	1.6
120.08086	9.4
121.06471	1.9
121.10143	2.7
122.09642	1.6
129.07039	1.5
131.08543	2.7
133.10210	1.5
133.80078	1.1
134.06039	4.1
134.09674	1.1
136.07605	2.4
138.92209	1.1
144.04454	1.2
145.10107	1.5
146.06049	2.2
148.07590	3.1
150.09154	14.5
151.09943	1.8
157.10083	2.1
171.09148	1.5
172.03970	3.8
188.10794	1.7
199.08580	1.9
204.06517	6.0
209.10663	1.5
211.08733	2.0
211.22879	1.2
223.08647	3.8
223.12326	1.8
225.10243	2.3
225.13983	1.1
227.11794	2.1
237.10216	3.0
239.11882	1.8
243.14911	2.6
247.12460	1.3
249.10213	5.0
250.10904	1.1
251.08180	7.7
251.11932	3.0
252.08946	1.3
253.09760	2.0
263.08209	1.9
263.11731	1.9
265.09668	3.4
269.12775	2.2
271.10892	1.7
273.18521	1.3
277.09650	4.2
279.07562	1.2
279.11139	2.2
283.10846	1.4
285.12695	1.5
285.16061	2.0
289.09677	1.4
291.11185	2.0
291.19476	4.0
297.12338	2.0
298.13324	1.6
299.14148	1.7
299.17368	1.9
300.11395	1.8
300.14597	1.3
301.12347	1.5
301.15533	3.5
303.07654	4.8
307.10562	1.7
309.12152	1.6
311.14014	2.1
313.12146	1.7
313.15726	1.5
314.12915	3.2
314.16342	1.5
315.13742	2.0
315.17072	3.7
316.14401	2.2
316.17703	8.8
323.14035	1.6
324.11603	1.6
325.12158	1.9
326.12833	2.1
327.13474	1.7
328.14423	4.7
330.12265	1.6
330.15924	1.6
331.06876	1.8
337.11871	2.4
339.13510	3.6
340.14343	4.3
341.15140	1.9
342.12320	4.0
342.16022	3.5
343.12982	2.2
343.16882	1.6
344.13879	2.3
352.13852	1.5
354.12112	2.0
354.15948	2.7
355.12985	1.8
356.13647	3.0
356.17694	2.0
357.14563	2.3
358.15280	5.9
363.09735	3.1
366.16074	1.8
368.13770	2.2
369.14609	1.7
370.15387	4.3
372.17160	1.7
382.15643	2.1
383.16467	2.3
384.17065	3.6
386.14825	9.9
391.19443	1.6
396.12939	1.9
400.16376	3.4
402.18268	1.7
405.16684	1.9
410.14847	1.9
412.16663	5.4
414.18140	1.7
416.15973	2.2
418.17639	3.2
419.18472	6.4
420.19223	3.4
421.20074	3.1
426.18112	2.4
430.17664	4.0
431.18430	1.4
433.20294	5.8
434.20853	3.4
435.21628	4.6
436.21860	2.0
444.19092	3.6
445.19916	2.5
449.18817	2.4
454.17722	4.2
456.19455	1.8
458.21057	2.0
461.19647	4.5
463.21680	1.8
470.16531	1.9
472.18579	5.4
473.19629	5.8
475.21078	2.8
476.21646	2.8
479.20193	1.8
486.20227	11.2
489.23145	2.3
492.21375	1.5
493.22034	3.5
504.20648	1.3
505.22092	10.5
506.22397	3.9
507.24078	2.5
509.21594	2.1
516.17462	9.8
518.22858	18.2
519.23169	3.4
521.25916	7.3
527.20825	2.7
535.25427	2.6
543.22919	1.7
549.24225	3.7
551.25244	2.4
559.22943	1.6
563.26508	12.2
573.34747	1.3
574.87378	1.5
577.24542	2.6
581.27838	5.8
587.23016	8.5
591.25696	10.7
592.26062	1.4
595.28369	9.7
596.26605	1.4
605.24078	6.2
609.27051	2.1
611.27698	3.8
619.25403	8.1
623.28711	100.0
624.28973	13.3
637.26343	5.1
640.27997	2.3
655.28534	40.3
655.40857	4.5
656.28857	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	655.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40342	0.4
55.05510	5.1
57.03441	4.6
57.07076	44.3
58.07393	0.7
60.30297	0.4
61.02924	9.3
67.05504	11.3
69.03432	1.3
69.07072	8.0
69.15778	3.3
69.60528	0.4
71.01341	0.4
71.08632	33.0
71.72367	0.4
72.08950	0.7
73.02919	3.7
75.04478	2.1
79.05496	1.9
81.03401	0.8
81.07056	16.2
83.08148	0.8
83.08620	11.6
85.02904	9.7
85.06556	0.7
85.10182	18.8
89.06040	1.0
91.03412	0.7
91.03956	9.5
91.05447	1.1
93.07029	0.9
95.04972	0.5
95.08606	24.2
96.08916	0.6
97.02882	5.1
97.10166	6.6
99.04467	1.2
99.08091	0.6
99.11742	1.2
103.07555	1.2
107.08549	0.6
109.02897	0.7
109.10152	13.8
111.11712	1.3
113.13264	0.7
119.08508	0.5
122.10110	0.4
123.11710	5.7
125.13218	0.8
127.03876	3.2
136.99309	0.5
137.13272	2.6
145.04942	4.1
151.14795	0.9
163.06033	6.0
173.71463	0.5
221.22603	1.2
239.23688	27.5
240.24008	1.8
257.24704	3.7
313.27350	100.0
314.27652	7.2
331.28391	11.8
331.32135	1.0
332.28735	0.8
473.28778	0.5
475.32468	2.0
577.24323	2.9
578.24194	0.5
637.27148	0.9
655.26837	2.0
655.37488	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.2
55.01867	3.8
55.05514	20.6
55.42702	2.8
56.75516	2.4
57.03441	20.6
57.07083	77.9
61.02933	22.9
67.05508	42.8
69.03434	22.4
69.07082	23.0
71.05000	4.4
71.08635	80.2
71.28719	4.3
73.02905	9.0
75.04491	6.2
79.05502	23.7
81.03429	22.7
81.07063	59.1
82.07409	3.4
83.04980	6.3
83.08617	26.8
85.02911	62.9
85.10182	40.8
91.03962	24.9
91.05488	17.7
93.05523	35.2
93.07060	13.5
95.04968	7.1
95.08614	68.7
97.02904	41.3
97.06503	4.2
97.10179	17.9
99.04475	10.7
103.03954	3.0
105.07021	12.3
107.04967	6.0
107.08591	9.7
109.02905	16.0
109.06511	6.8
109.10157	33.1
111.04395	3.7
117.07014	5.1
119.08603	6.4
121.10142	5.3
123.11671	14.5
125.09632	3.5
125.13265	3.1
126.88268	2.5
127.03927	37.9
129.07013	4.8
131.08546	6.7
133.10095	6.4
135.11737	5.3
137.13251	6.8
139.14955	3.1
139.45093	2.6
143.08546	3.7
145.04965	36.6
145.10156	6.3
149.09607	4.0
149.44133	2.5
153.09073	2.6
159.11696	5.0
163.06023	23.0
163.07294	2.9
163.11234	3.2
171.06606	3.2
177.12752	4.8
211.08672	3.7
225.10341	3.1
237.10263	4.3
239.23701	82.5
240.24074	8.1
249.10249	3.1
257.24783	5.3
273.18622	3.2
275.20090	8.9
277.09909	2.9
283.15234	4.0
302.16452	2.9
313.27545	3.8
316.14490	3.3
323.25784	3.3
327.13690	4.1
329.26895	4.4
341.26849	4.0
342.12109	3.4
342.16006	3.0
355.12585	3.5
383.23328	4.8
383.27933	57.6
384.28226	6.7
401.28998	100.0
402.18185	3.1
402.29184	9.6
430.09952	3.8
433.16290	6.2
438.20963	3.3
444.18823	3.1
449.19620	3.8
478.19064	3.7
481.88620	3.0
489.19080	4.6
491.20752	4.9
501.22858	7.4
505.21625	4.4
517.22107	3.9
521.21985	5.1
535.23169	4.8
540.38275	3.9
549.24561	8.1
551.26276	8.4
557.34509	7.9
559.23163	7.9
561.24536	8.2
563.23047	10.2
564.23041	6.6
577.24182	12.6
578.24554	3.3
595.25232	9.2
605.23639	11.7
611.28760	29.7
612.28424	6.7
619.25665	21.1
620.25500	5.0
623.24677	11.5
627.28131	5.0
637.26672	97.0
637.37946	5.3
638.26782	19.1
655.27356	42.4
655.39020	9.9
656.27612	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	655.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.5
55.05517	6.0
57.03444	4.3
57.07077	41.2
57.07343	2.2
58.96076	0.7
61.02928	13.4
67.05508	13.5
68.35391	0.8
69.03410	1.7
69.07076	9.4
70.12204	1.8
71.04970	1.2
71.08633	33.5
73.02917	5.9
75.04437	2.7
79.05499	3.5
81.03402	1.5
81.07058	19.8
83.08158	0.9
83.08615	12.7
84.08897	0.9
85.02453	0.8
85.02908	13.2
85.06509	0.8
85.10181	18.4
89.05982	1.3
91.03961	11.8
91.05436	2.9
92.90460	0.7
93.07017	2.5
95.04884	0.9
95.08606	25.8
97.02894	6.8
97.06494	1.0
97.10175	6.5
99.04399	1.3
99.11694	1.8
103.07554	0.9
105.07007	1.9
107.08521	1.5
109.02863	0.9
109.06477	0.7
109.09487	1.0
109.10157	14.6
111.11678	1.3
115.03876	0.9
115.25845	0.7
119.08530	1.3
123.11681	4.6
125.13255	1.2
127.03949	5.4
131.08521	0.9
133.10071	1.3
135.07980	0.9
135.11620	1.3
137.13222	2.6
145.04968	6.9
145.10095	0.9
151.14781	0.9
156.44669	0.8
163.06020	12.0
191.93803	0.7
221.22604	1.5
239.11745	0.9
239.23695	34.3
240.23921	1.8
247.09023	0.8
257.24805	6.0
270.33533	0.7
275.20047	1.8
313.27356	100.0
314.27637	5.6
331.28406	12.5
332.28839	1.0
377.17813	1.0
391.19119	1.3
404.16025	1.3
405.17197	2.2
407.22272	2.7
419.18549	2.9
420.19208	1.2
421.20239	2.3
433.20425	7.4
434.20874	4.4
435.22055	4.2
436.21887	0.8
447.17712	0.9
461.19565	1.2
462.20328	2.1
463.21286	2.9
464.22928	0.9
465.18961	1.2
475.21747	1.2
491.20709	1.6
493.22525	1.6
521.25775	4.6
522.26025	0.9
549.25055	7.3
550.24841	1.0
559.22974	1.2
563.23114	1.5
564.24048	1.2
577.24347	5.7
578.24933	1.1
580.26965	1.2
581.27142	1.5
595.25317	4.2
596.25500	1.0
605.24298	0.9
609.27222	1.5
610.27661	0.9
619.25177	2.3
623.25140	1.6
627.28546	1.0
637.26538	7.0
638.26978	1.4
655.27576	63.1
656.27991	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	656.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
55.01864	3.9
55.05511	28.2
57.02268	1.1
57.03432	3.9
57.08020	1.0
61.02924	1.0
65.03941	1.3
67.05505	23.6
69.02426	6.7
69.02847	2.5
69.03415	3.6
69.07059	7.9
71.04978	2.3
73.02905	1.0
73.94681	1.1
79.05490	26.9
80.30035	1.3
81.03410	4.8
81.07045	22.3
83.04965	3.8
83.08623	15.0
85.02907	3.6
85.06526	1.1
86.78234	1.0
91.03979	1.1
91.05478	26.0
93.07052	15.1
95.04961	3.7
95.08614	7.8
97.02874	2.6
97.06544	3.0
97.10175	29.1
98.22567	2.1
103.05446	12.5
105.07039	21.4
106.07395	1.4
107.04915	2.6
107.08592	13.4
108.08890	1.1
109.06526	2.7
109.10167	4.5
111.04433	1.4
111.08169	1.2
115.05460	6.4
117.07014	34.6
118.07304	1.3
119.04932	1.1
119.08572	10.8
121.06480	2.8
121.10140	4.7
123.08073	2.7
125.09633	25.9
128.06218	4.0
129.07004	16.4
130.07339	1.4
131.04907	1.6
131.08574	20.9
133.06477	7.6
133.10104	4.5
135.04349	1.2
135.08052	5.5
137.09663	1.2
141.06972	6.7
143.08572	6.9
145.06511	8.3
145.10089	6.0
146.10423	1.4
147.08055	3.1
147.11732	2.0
149.09612	3.3
153.07013	2.3
153.09102	2.7
154.07788	1.5
155.08551	6.9
157.06497	3.5
157.10118	3.5
159.08041	3.8
159.11531	2.8
163.03893	3.6
163.07541	1.1
163.11247	1.7
164.04309	1.5
165.06996	1.8
167.08563	3.6
169.10139	6.6
171.08066	2.4
171.10304	1.6
171.11601	5.3
173.11880	1.2
173.13284	1.9
179.08543	1.7
181.10112	2.3
182.10814	1.6
183.11710	2.0
185.09605	1.4
186.53300	1.3
187.11115	1.6
187.14813	7.8
189.11205	11.6
191.08447	1.6
193.10141	1.6
195.11717	1.6
197.13234	9.4
205.10226	1.5
205.12167	1.4
206.60147	1.2
207.11757	1.1
209.13176	1.8
213.12814	2.7
215.14310	38.4
219.11900	1.2
221.13260	1.5
223.11171	2.8
223.14737	1.6
227.12729	18.1
231.13956	1.3
233.15395	2.2
236.14914	1.4
245.13765	2.4
257.15445	1.6
269.15332	2.3
271.16989	3.8
283.15182	1.4
287.16287	1.6
339.23001	2.4
349.21548	4.4
367.22647	12.0
368.22919	1.8
385.23676	10.3
403.24963	3.2
429.18839	1.5
441.26370	52.7
442.26645	5.0
459.27405	100.0
460.27689	12.7
477.28415	12.1
656.31329	2.3
657.24365	2.7
665.01123	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	2.1
57.03434	5.5
57.07074	4.8
58.06600	33.1
58.07866	0.7
59.07386	10.5
60.08167	9.1
67.05507	4.9
69.07039	1.7
69.66609	2.8
71.08636	3.3
73.02893	0.6
75.04443	2.5
79.05465	2.0
81.07063	5.9
83.04952	0.7
83.08597	1.5
84.08114	1.3
84.63369	0.5
85.02853	2.0
85.10147	2.0
87.04465	4.1
91.05446	1.9
92.27136	0.9
93.07012	1.5
95.04953	0.6
95.08609	4.0
100.11246	1.0
103.03934	0.7
105.06992	2.5
107.08557	0.7
109.06464	0.6
109.10130	1.4
113.05943	1.1
119.08562	0.9
121.10124	0.9
130.08641	1.0
131.07019	1.4
144.10197	14.1
158.19028	0.7
162.11272	4.4
200.12773	1.1
218.13882	1.5
236.14923	100.0
237.15263	5.6
273.18686	0.7
313.27386	0.7
334.42087	0.7
340.86279	0.7
382.25931	2.9
400.27054	4.9
401.27222	1.1
418.28156	3.1
434.30466	0.7
456.36893	7.6
457.37323	0.8
474.37894	17.1
475.38187	1.8
508.77951	0.6
638.49847	13.1
639.50134	2.7
656.50946	80.8
657.51300	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	656.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	1.5
57.03439	3.7
57.07073	4.2
58.06602	26.8
59.07387	6.8
60.08165	8.0
67.05510	3.0
69.07036	2.4
69.07372	0.5
71.08633	2.5
73.02887	0.6
75.04451	2.2
79.05455	1.8
81.07059	4.6
83.04993	0.5
83.08593	0.6
84.08120	0.7
85.02869	1.9
85.10160	1.2
87.04465	2.5
91.05445	1.4
93.07001	1.1
95.08620	3.5
95.33334	0.5
97.10131	0.9
100.11194	0.8
102.05521	0.6
105.05462	0.9
105.06999	1.6
107.79971	0.5
109.10126	1.5
109.29546	0.5
113.05962	1.4
119.08556	1.4
121.10117	1.2
122.87857	0.5
123.11724	0.7
129.81462	0.5
131.06970	1.2
144.09113	1.0
144.10193	15.0
147.11656	0.7
162.11252	4.4
175.26271	0.6
183.50137	0.5
186.37222	0.5
200.12778	1.1
218.13879	1.2
236.14923	96.1
237.15199	4.3
313.27408	0.8
367.06583	0.5
369.30203	0.7
382.25949	1.6
400.26953	5.2
410.20355	0.6
412.37930	1.1
418.27872	3.8
456.36899	7.5
457.37439	0.8
474.37909	17.3
474.44641	1.0
475.38361	1.8
624.28131	0.5
638.50012	7.5
639.49457	1.2
656.50934	100.0
657.51331	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	656.5092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.7
57.03435	4.5
57.07071	8.7
58.06596	25.3
59.07389	8.4
59.39971	0.9
60.08167	5.9
61.10067	0.9
63.75762	0.8
66.40559	0.9
67.05507	12.0
69.07077	4.3
71.08626	5.2
75.04479	1.8
78.27246	1.1
79.05500	5.5
81.07050	6.8
83.08624	2.3
85.02920	1.8
85.10203	2.9
87.04480	2.7
89.06003	1.1
91.05480	3.7
91.35035	0.9
93.07050	3.3
95.08614	7.2
97.06496	1.2
97.10204	2.1
102.05587	0.9
105.07046	2.8
107.08595	2.2
109.10149	7.2
111.08117	1.2
113.05956	1.2
117.07059	1.2
119.08594	2.5
121.10186	2.2
125.09726	1.7
131.07085	1.1
131.08568	2.0
133.10172	1.4
144.10184	14.3
145.10193	2.5
147.08102	1.4
157.10081	1.4
159.11653	1.1
162.11279	4.5
163.11201	1.1
227.12952	1.3
236.14922	84.6
237.15387	3.0
273.18546	2.5
291.19580	3.7
302.32333	1.0
313.27408	4.8
365.23032	1.4
372.23795	5.7
390.24805	8.4
481.25174	1.3
484.39978	5.4
502.41034	13.9
503.41653	1.3
544.36859	3.6
545.38055	2.4
554.27655	2.0
568.29425	2.2
569.30164	3.3
603.45880	2.6
621.47351	2.9
656.31146	4.8
656.50897	100.0
657.51208	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	656.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	13.9
55.01866	9.8
55.05511	28.9
57.03439	21.9
57.07074	68.0
58.06598	5.9
64.23286	3.6
65.03960	4.4
67.05507	77.8
68.05824	5.1
68.97219	4.1
69.06161	8.2
69.06570	27.2
69.07076	57.1
71.04995	30.5
71.08629	45.6
73.02923	7.7
79.05495	71.3
81.03420	24.0
81.07056	81.3
83.04979	12.9
83.08611	21.8
85.06532	5.5
85.10184	21.9
91.05477	52.2
93.07040	50.1
95.04948	17.3
95.08609	67.8
97.06532	100.0
97.10178	9.3
105.07030	34.4
106.07403	4.3
107.04935	6.9
107.08588	26.4
109.06508	22.1
109.10160	31.2
111.08082	5.7
115.07595	35.4
117.06998	18.2
119.08585	15.3
121.06478	8.2
121.10126	14.5
123.08073	7.9
123.11697	6.5
129.07069	9.7
131.08575	22.5
133.06496	8.6
133.10104	14.5
135.08052	11.4
135.11705	9.7
143.08592	5.5
145.10097	11.4
147.08067	5.8
147.11697	7.9
149.09546	7.2
149.13266	9.2
157.10115	8.1
159.11662	14.6
161.09644	11.9
163.11119	4.8
167.08693	4.7
169.10126	6.7
171.11687	10.3
175.11250	6.5
177.12718	5.0
187.11157	4.7
189.11238	4.1
195.13669	4.2
197.13191	3.9
217.15877	5.3
221.15329	4.7
223.13422	4.2
227.17728	4.6
233.15359	7.2
236.14873	9.2
239.23737	7.6
245.18964	6.5
253.14290	5.5
267.15967	8.3
269.17419	10.4
273.18527	37.2
291.19519	15.2
313.27365	92.8
314.27756	10.4
341.26929	8.0
347.22180	7.2
365.23102	9.7
507.40286	47.8
508.40485	6.5
603.46100	7.5
630.68933	4.4
656.49957	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	657.173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86948	0.9
52.27376	0.9
58.99871	1.2
69.03439	1.3
69.41209	5.5
70.99854	1.1
81.03432	1.2
82.99879	2.4
94.99890	1.4
98.97577	2.1
99.95563	0.9
101.00887	18.0
105.00385	1.7
106.02835	0.8
109.02899	1.5
113.00896	4.1
115.02438	2.5
116.92020	0.7
119.01926	29.3
120.01967	1.0
125.00893	0.9
127.02434	5.4
129.04056	1.3
131.01903	13.2
133.03481	2.4
134.11520	0.8
137.00864	1.0
137.02928	2.2
138.58720	0.9
139.02370	4.9
140.25781	0.9
143.01900	37.3
144.01978	1.7
145.03470	22.9
146.03699	1.4
147.01393	1.2
151.02405	1.5
153.03998	2.3
153.67274	0.8
155.01886	25.9
155.03067	1.6
156.02684	2.7
157.03470	14.9
161.02963	32.5
162.03062	1.3
163.04500	2.3
165.03999	1.1
167.01898	14.0
169.03474	12.1
170.99666	1.2
171.01501	1.3
171.05042	9.9
173.02962	35.4
174.03188	1.5
175.04550	2.8
179.01936	5.1
181.03461	6.6
182.99774	1.0
183.01434	1.0
183.05040	3.5
185.02971	53.5
186.03133	3.1
187.04556	10.5
191.03941	1.2
193.03513	3.1
195.04959	1.0
197.01158	1.3
197.02972	23.4
198.03188	2.0
199.04507	8.0
201.02496	1.4
201.06036	1.4
203.04015	24.4
204.04160	1.5
205.03497	2.5
209.02950	2.1
211.04472	4.8
213.02583	1.4
213.06174	1.7
215.04037	12.9
216.04251	1.1
219.01700	1.3
221.03201	1.4
221.05063	40.4
222.05177	2.0
223.04552	3.6
227.04022	12.9
228.04333	1.1
229.05617	1.8
237.02602	1.4
239.04063	1.9
239.92041	1.0
241.05533	10.3
243.03662	1.7
245.05075	100.0
246.05190	5.9
255.03453	1.0
257.05054	6.9
259.06638	32.0
260.06873	3.0
263.06140	13.7
269.05115	1.4
271.06635	18.4
272.06787	2.3
273.04645	1.5
275.06082	11.0
276.06387	0.9
285.04541	3.2
289.07639	6.1
293.07333	4.2
297.04526	5.6
299.06006	1.5
303.05560	2.0
305.07245	10.3
315.05649	12.1
315.09012	1.7
316.05786	1.0
317.07101	1.4
333.06677	43.6
334.06882	3.0
335.08221	3.5
351.07587	1.7
357.06662	2.1
365.09424	5.9
374.52625	0.9
375.07724	44.3
376.07986	5.5
387.07773	9.9
393.08759	3.4
399.07614	2.3
405.08978	5.0
406.09161	1.1
406.18948	1.0
417.08804	1.6
435.10080	5.6
436.10498	1.1
459.09784	1.7
477.10907	25.1
478.11435	2.1
495.11871	3.8
544.57336	1.1
554.38928	1.0
657.16736	11.5
658.17340	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.1
57.07076	1.0
67.05499	3.2
69.07061	1.9
76.62706	0.9
79.05511	2.2
81.07072	2.7
81.22389	0.9
91.05476	1.2
93.07066	2.0
95.08624	2.1
105.07011	1.3
105.75533	0.9
107.08597	1.0
109.10205	0.9
132.07402	1.0
146.61127	0.9
157.61774	1.0
261.92786	1.4
389.17657	2.0
398.15570	1.3
404.20071	1.5
405.20798	2.3
406.21268	1.1
411.15765	1.3
413.17615	2.7
414.18384	1.5
419.22385	1.4
426.18103	1.4
427.19360	4.8
428.20407	1.6
434.13132	1.4
440.20032	1.4
441.18350	4.9
442.21606	1.6
448.14758	1.3
449.15326	2.6
454.18420	1.3
455.19022	2.5
462.15643	1.1
463.16733	3.6
464.17563	1.4
467.16977	1.6
475.21826	1.4
477.18896	4.8
478.18762	1.5
484.22766	1.3
487.21146	1.4
491.20111	1.9
492.20575	4.2
493.17896	4.2
494.18378	1.4
496.16196	1.5
501.22864	1.2
504.16605	1.4
505.17917	1.7
506.18628	4.2
511.19449	1.2
519.19672	10.8
520.20135	2.8
521.20984	1.1
523.18640	1.4
533.17975	1.5
537.20465	4.3
543.24048	1.2
545.42242	2.0
547.19086	1.6
551.22192	5.8
563.21741	2.1
569.23181	2.2
572.24164	1.1
579.21564	36.7
580.21875	5.1
607.21027	15.3
608.21094	2.8
621.26917	1.7
625.21643	1.5
639.23639	100.0
640.14197	1.8
640.24011	18.2
657.24701	30.0
658.25177	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	657.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00054	0.3
55.01858	0.4
55.05507	0.3
57.03425	0.5
57.84256	0.3
61.02930	0.5
67.05492	1.0
70.22528	0.9
72.27034	0.3
79.05469	1.2
81.03410	0.9
81.07027	0.6
83.01336	0.6
85.02911	0.5
91.03982	0.4
91.05479	0.8
93.07047	1.2
95.08608	0.6
96.01835	0.3
97.02900	0.5
97.06513	0.8
100.11234	0.5
105.06988	0.8
107.08548	0.5
109.10138	0.9
109.55842	0.3
117.07032	0.4
119.08535	0.4
121.10087	0.5
124.07548	0.3
135.11636	0.7
145.10118	0.6
163.03801	0.5
163.11195	0.4
185.04251	0.5
196.51118	0.3
210.14861	0.4
253.10725	0.8
283.15375	1.4
285.09439	1.2
287.05115	0.3
303.10211	0.4
356.00967	0.4
395.14688	2.0
397.18347	0.4
461.21432	0.5
467.18521	0.5
479.20322	1.3
495.19476	0.8
495.25793	0.4
657.24799	100.0
658.25275	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	657.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.8
55.16411	0.3
57.03435	0.6
61.02921	0.7
67.05494	1.4
69.03419	0.9
69.07061	0.6
71.29833	0.3
79.05473	0.9
80.05030	0.3
81.03415	1.5
81.07058	1.9
83.04979	0.6
83.08615	0.5
85.02888	1.1
91.03911	0.3
91.05470	1.4
93.07027	1.2
95.04951	0.9
95.08587	0.8
97.02891	0.9
97.06511	1.0
97.10169	0.5
99.04494	0.3
101.02363	0.5
105.06982	0.8
107.04964	0.7
107.08581	1.1
109.02896	0.4
109.10174	0.3
117.07018	0.5
119.08563	0.7
121.10140	0.6
123.08064	0.3
123.25075	0.4
124.07554	0.7
125.09591	0.7
127.03841	0.7
129.06956	0.5
135.08051	0.5
145.10155	0.4
173.09686	0.4
185.04224	0.6
196.56105	0.3
201.03723	0.4
239.37959	0.3
243.08589	0.4
283.15451	0.5
285.09305	1.3
287.05533	0.3
293.82397	0.3
303.10257	0.3
355.15219	0.4
395.14526	0.9
441.16724	0.3
459.27176	0.5
464.12231	0.4
469.20459	0.5
477.28204	0.3
479.20331	1.1
495.19440	0.4
507.14218	0.8
528.34943	0.3
531.17828	0.4
559.85181	0.3
561.14307	0.6
639.29645	0.5
648.50739	0.3
657.24615	100.0
658.25214	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50206	0.2
54.37297	0.3
55.05484	0.3
57.03409	0.4
61.02911	0.3
67.05509	0.4
69.07080	0.4
70.19969	0.3
70.31261	0.8
79.05481	0.6
81.03415	0.5
81.07073	0.7
84.04521	0.3
85.02924	0.4
85.50714	0.3
86.79169	0.3
91.05476	0.7
92.33079	0.2
93.07031	0.5
95.08597	0.4
97.02890	0.4
97.06535	0.4
105.07025	0.4
109.02900	0.3
113.02152	0.3
119.08533	0.4
121.10201	0.3
127.03912	0.3
147.04436	0.8
148.04759	0.3
185.04279	0.5
201.03748	0.4
212.40318	0.3
285.09506	1.0
303.10568	0.3
361.50137	0.3
395.14578	0.6
411.16394	0.4
479.20255	1.0
495.19696	0.4
531.16785	0.4
657.24884	100.0
658.25549	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	657.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
73.33298	0.4
95.06052	0.7
147.04373	0.5
158.05716	1.1
159.06447	0.7
160.07204	0.5
166.08672	0.5
174.10208	1.1
175.10495	0.4
186.05247	10.5
187.05573	0.5
203.07828	0.6
217.16945	1.5
267.07431	0.5
285.08392	4.7
299.09875	0.4
311.06390	0.7
338.67120	0.4
363.11786	0.5
376.12814	0.5
418.13956	2.6
430.13495	0.9
448.14780	67.4
449.15146	8.0
476.18054	0.6
490.16202	0.8
491.16626	14.2
492.17120	3.1
494.18863	1.2
520.17059	0.8
611.24579	1.3
639.24017	2.3
640.23566	0.6
657.25232	100.0
658.25507	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
66.70012	0.3
69.12277	2.2
69.12699	1.0
74.61018	0.4
98.22626	0.6
134.43874	0.4
144.04182	0.5
145.04897	0.6
148.11159	0.4
158.05843	1.9
159.06479	0.7
184.03682	0.6
186.05267	14.4
187.05554	0.4
203.07909	0.7
204.06229	1.3
204.08037	0.4
217.17053	2.9
242.07874	0.4
243.08775	0.5
263.84979	0.4
267.07565	0.5
268.05884	0.4
285.08508	5.3
299.05438	1.3
311.06320	1.2
312.07498	0.4
312.95230	0.4
313.08072	0.4
328.10092	0.5
363.11893	0.7
373.03363	0.4
376.12595	0.5
404.15982	0.6
418.13681	2.5
430.13705	1.1
448.14807	76.2
449.15115	7.9
449.20850	0.7
476.17905	0.9
477.16922	0.7
490.15808	1.2
491.16666	20.0
492.17221	4.2
494.18939	1.2
520.16833	0.7
611.24823	1.1
639.23779	1.7
657.25269	100.0
658.25507	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	657.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.5
67.05513	1.6
73.52402	1.3
81.07085	1.3
83.89011	1.2
98.22599	4.8
133.80518	1.2
138.23944	1.2
197.10724	1.6
199.55754	1.2
221.10684	2.2
223.12320	2.0
229.31938	2.2
237.13704	1.5
247.12190	1.7
251.15608	1.6
261.13925	2.7
288.16080	1.4
314.16516	1.8
330.15594	1.7
338.16406	1.6
350.16220	1.7
362.16034	1.3
363.16815	1.9
364.17828	2.6
365.17810	2.3
366.19299	1.3
377.17743	4.0
379.19315	4.1
391.19254	4.1
392.20380	2.4
393.16821	2.7
393.21127	2.4
395.18500	1.8
405.21210	2.6
407.17944	2.0
407.22385	4.1
408.19385	4.0
409.20132	6.1
420.23260	1.8
421.19653	6.9
422.20697	2.2
423.21793	21.6
424.22125	4.0
434.20926	2.3
435.22058	9.3
436.22937	5.9
437.23312	4.5
447.21695	2.1
449.23499	3.7
450.24399	2.8
451.20731	5.9
452.22385	2.3
453.22751	1.5
454.20181	5.3
456.22891	2.0
460.22467	2.4
461.23923	8.1
462.21426	1.9
463.21393	3.2
464.22226	3.1
465.22650	4.2
466.23248	3.9
467.24307	5.3
468.25131	3.2
469.25604	2.0
477.22952	6.5
478.23309	2.1
479.25067	7.3
481.22198	4.8
483.23309	1.6
491.20352	2.0
492.21771	1.9
493.21304	7.1
493.27200	1.8
494.27280	6.6
495.23685	14.8
496.24747	8.1
505.22690	1.6
507.23483	3.7
508.24768	15.6
509.25525	15.2
510.26285	13.2
511.27292	16.4
514.23517	1.9
516.24921	2.9
519.24402	2.1
521.25592	6.4
522.25830	4.0
523.23346	5.6
524.23999	2.4
525.28528	3.6
526.28967	1.7
537.24969	24.8
538.25574	16.3
539.26001	2.9
549.24731	2.4
551.22192	2.2
553.28363	11.3
554.28046	2.5
555.26031	3.4
565.24298	4.9
566.24756	2.3
570.28314	5.2
581.27588	31.4
582.26990	5.2
583.25391	10.3
595.29144	1.5
596.27588	2.4
597.27136	68.0
598.27594	16.5
607.25323	2.6
613.30206	82.2
614.30420	17.5
625.26550	100.0
626.26849	19.3
657.29431	7.0
658.29169	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61146	1.0
57.07080	1.0
61.03422	0.9
67.05502	1.1
69.07043	0.9
69.07616	8.5
79.05478	0.9
81.07079	1.5
91.05487	1.2
95.08622	1.5
107.20135	0.9
121.10178	0.9
131.07353	1.0
132.08086	1.8
146.09627	2.2
158.09665	1.6
176.09419	1.1
196.09914	1.4
201.42076	1.0
209.10672	1.8
221.10672	1.8
223.12314	2.7
233.10681	1.6
234.11606	1.3
235.12477	1.6
236.14937	2.2
237.10316	1.2
237.13754	1.5
246.11436	1.3
247.12390	1.8
248.11749	0.9
249.14053	2.6
257.10651	1.1
259.12289	2.3
260.12158	1.5
261.13828	2.9
262.13675	1.4
263.11646	1.1
273.13864	3.5
274.13370	1.9
275.15347	2.8
276.15048	1.7
285.12927	1.1
286.13281	1.3
287.15268	3.5
288.15887	1.8
289.12994	1.1
300.14984	1.6
302.12994	2.5
302.16742	1.7
303.13837	1.0
313.15741	1.1
314.16400	1.5
316.14514	1.8
318.15952	3.0
323.14169	1.5
324.14951	2.1
326.16638	1.7
332.17380	1.6
336.15094	1.7
337.15634	2.1
338.16473	2.3
339.17102	1.3
340.18118	3.5
349.14981	1.1
350.16104	2.5
351.16464	2.2
352.17761	3.3
353.18671	1.5
354.16058	1.4
354.19751	1.2
358.15372	1.4
360.14255	1.2
362.15787	2.5
363.16318	4.4
364.17377	4.4
365.17911	4.4
366.19025	3.4
367.19574	1.4
368.17499	1.0
374.16107	1.1
375.16135	3.4
376.17075	3.0
377.17856	5.9
378.18774	4.1
379.19415	9.6
380.15836	1.6
380.20224	2.1
381.20764	2.3
387.17374	1.4
388.18015	1.5
389.17856	2.4
390.19144	2.1
391.19513	8.9
392.20657	5.5
393.16174	5.0
393.21530	6.2
394.17850	3.3
394.22159	1.9
395.18536	2.5
395.22708	1.5
403.15088	2.3
403.19745	2.4
404.16220	1.6
404.20914	1.5
405.20618	5.0
406.21609	3.4
407.17593	5.9
407.22318	5.6
408.19214	8.6
409.20285	10.3
410.19684	1.2
417.16742	2.2
418.18008	1.6
419.17703	4.8
419.22858	3.0
420.19925	1.5
421.19675	8.8
421.24564	2.9
422.21143	6.7
423.16403	1.9
423.21863	34.4
424.22632	6.1
426.20978	1.1
431.18726	1.3
432.19897	1.9
433.20706	4.6
434.20871	4.0
435.22141	15.4
436.23099	9.7
437.24265	7.2
445.19727	1.3
446.13251	1.3
446.20844	3.6
447.22559	5.3
449.18365	2.2
449.23328	5.9
450.19839	1.4
450.24268	3.0
451.20831	8.8
452.22531	2.2
453.22769	3.0
454.19724	7.5
456.23264	1.8
461.23877	11.5
462.20343	3.0
463.21155	7.9
464.21527	4.2
465.23337	7.9
466.20578	3.1
467.24991	6.0
468.25339	5.7
469.25052	1.4
476.22076	4.1
477.23074	10.7
478.24289	5.9
479.25388	9.1
480.24313	2.0
481.22195	5.4
482.23166	1.8
483.23560	1.6
491.20694	2.3
492.21558	2.0
493.21323	11.1
494.26291	7.6
495.23502	21.1
496.24542	10.8
497.24725	2.5
504.21606	1.5
505.22369	2.6
506.22189	2.0
507.23615	4.5
508.24808	21.5
509.25641	19.9
510.26337	18.5
511.27194	19.9
512.27240	2.7
516.25037	1.6
519.23834	2.9
520.23444	1.2
521.25763	7.2
522.25732	4.3
523.23047	7.6
524.23602	1.3
525.28400	2.8
526.29028	2.4
537.25031	27.4
538.18414	1.1
538.25751	13.7
539.26697	2.1
549.24176	1.7
551.22668	1.5
553.28589	9.9
554.27039	1.8
555.25848	4.1
563.26025	1.3
565.24213	6.1
566.24811	2.3
570.27936	4.8
581.27631	24.9
582.27966	5.5
583.25146	8.3
584.26385	1.5
595.29199	1.4
596.27643	1.4
597.27112	59.6
598.27710	15.5
599.28540	1.3
607.25378	2.8
613.30188	72.1
614.30634	10.1
625.26550	100.0
626.27002	15.9
657.29340	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	657.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.4
53.18355	1.1
55.01865	1.4
55.05512	3.3
57.03441	1.1
57.07074	5.2
58.06608	1.9
62.63728	1.1
67.05521	6.0
69.07078	2.3
71.08633	5.6
73.84054	1.1
79.05482	6.6
80.22994	1.1
81.07049	7.4
83.05004	3.0
83.08649	2.2
85.10195	2.3
89.06022	6.8
91.05501	4.4
93.07046	4.6
95.08632	2.0
97.02807	1.1
97.10177	1.8
103.42499	1.3
105.07064	2.8
107.08589	2.6
109.06523	1.2
109.10199	1.3
117.07003	2.0
119.08597	1.8
121.06427	1.6
121.10215	1.4
124.07604	4.0
129.06976	1.4
131.08551	1.9
133.08623	4.4
133.10240	1.8
135.08115	1.2
177.11295	2.6
198.11328	3.5
210.11429	1.3
211.23405	1.2
225.10303	3.1
225.13893	4.3
236.15013	4.5
237.10297	1.4
238.11014	3.0
239.11870	2.1
240.12657	1.7
251.08069	1.9
251.11674	1.4
252.12566	1.6
253.09572	1.5
253.13365	17.2
263.11670	1.7
265.09705	2.0
265.13327	2.2
279.07785	1.6
291.19604	1.9
293.09439	1.4
293.21271	1.8
304.11108	1.5
313.12067	1.3
316.14505	1.5
332.13675	1.5
333.09027	1.3
367.12946	1.6
400.16824	7.3
433.16290	1.8
449.19916	1.4
459.14972	2.1
460.18686	5.4
461.15909	2.6
474.13391	1.3
475.17807	3.1
477.19226	3.4
491.20593	3.0
503.17300	3.5
505.22879	7.5
517.18481	3.9
518.19275	1.9
532.21716	1.5
533.21631	3.7
537.24847	2.9
538.25433	2.4
539.21814	1.7
540.22607	1.9
541.23486	5.1
545.18030	2.4
547.15900	2.0
547.23328	1.8
549.21332	4.7
553.24438	3.9
562.18390	1.9
563.19275	5.6
564.23206	2.2
565.23676	4.1
575.22705	6.2
577.20709	11.3
578.20813	1.8
591.22443	1.8
592.23157	4.8
593.23541	4.7
597.27570	2.4
601.25739	1.7
607.25482	100.0
608.25824	14.9
625.26141	10.8
639.43439	2.0
657.29333	29.0
657.42456	2.7
658.29529	5.6
658.45288	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	1.2
53.03936	1.0
54.25013	0.5
55.01868	1.5
55.05270	0.8
55.05513	6.6
57.03433	2.2
59.04992	1.9
61.02928	5.5
65.97205	0.5
67.05508	5.4
69.03415	2.5
69.07061	1.0
69.11318	4.3
70.06592	1.1
71.01340	0.8
71.04978	0.6
73.02907	2.2
74.70744	0.5
79.05496	4.0
81.03419	2.7
81.07052	6.9
83.04984	1.9
83.08620	6.9
85.02898	7.5
85.06521	0.8
87.04473	0.7
91.03955	5.3
91.05476	10.6
93.05505	0.7
93.07047	6.5
95.04958	2.0
95.08620	2.7
95.09127	0.6
97.02892	6.0
97.06521	1.8
97.10178	0.6
98.22649	1.3
99.00813	11.5
99.04448	1.7
100.54852	0.6
104.10743	0.7
105.07031	9.0
107.04940	3.2
107.08569	3.2
109.02876	8.7
109.06510	1.2
109.10158	3.0
111.04437	1.6
111.08072	3.2
115.03912	2.1
116.62696	0.6
117.07011	1.9
119.04894	0.8
119.08585	5.7
121.06499	4.0
123.04425	1.3
123.11730	0.7
127.03901	4.8
127.10098	0.6
128.06206	1.0
129.07031	0.8
131.08572	0.7
133.06573	0.6
133.10126	22.7
134.10503	1.3
135.08014	0.7
137.05960	2.1
137.09634	0.7
139.07513	2.2
143.08557	2.7
145.04962	2.8
145.06540	1.2
147.04390	1.6
147.08083	0.6
151.11177	7.5
161.09608	14.9
163.06018	4.6
165.09148	1.1
171.08087	2.6
179.10669	8.5
189.09091	7.4
197.11745	2.4
207.10185	3.7
225.11223	12.9
235.67903	0.6
243.12192	4.5
270.00992	0.6
281.13895	4.1
299.14883	100.0
300.15295	7.9
317.15967	3.9
369.15329	2.0
387.16595	1.7
396.18207	0.7
443.19083	0.6
461.20172	2.2
512.76477	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.8
55.05518	10.6
57.03445	10.2
57.59011	1.5
58.06626	1.8
58.78423	1.5
59.05005	2.2
61.02942	2.6
65.03950	2.1
67.05506	33.7
69.03414	2.2
69.07075	5.8
69.17794	7.1
69.18209	3.3
69.41705	1.8
71.04995	3.8
79.05499	25.8
81.03415	17.3
81.07063	20.4
83.01340	8.0
83.04986	21.4
83.08643	8.1
85.02915	4.4
85.06576	4.3
89.17135	1.5
91.05483	87.2
92.05831	3.9
93.07048	16.9
95.04979	9.6
95.08623	7.1
97.02902	6.5
97.06532	9.0
97.10170	2.7
99.04507	1.7
105.07030	35.4
107.04955	15.4
107.08609	12.9
109.06537	5.1
109.10162	3.7
111.04430	3.3
111.08088	3.1
117.07011	14.6
119.08586	15.3
121.06490	2.5
121.10149	7.4
121.32643	1.8
123.08083	7.2
125.06017	2.1
125.09623	1.8
128.06221	3.3
130.07782	2.0
131.08566	8.2
133.10133	30.8
135.08061	7.1
135.11673	8.4
137.09607	2.6
143.08598	5.3
145.10097	9.7
149.09589	10.1
151.11221	2.8
153.12654	1.8
155.08557	1.7
161.09624	16.3
163.11189	15.5
173.09637	3.1
177.88042	1.4
179.10652	10.1
181.12285	1.8
191.10681	3.5
197.11703	2.5
209.11798	4.5
227.12865	5.5
253.14357	92.8
254.14734	3.1
265.14307	3.1
283.15381	57.0
284.15768	3.1
333.16736	1.7
443.24207	5.7
461.25333	100.0
462.25754	6.9
560.36267	1.8
659.39551	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97838	0.6
53.03948	2.8
55.01871	2.0
55.05272	1.2
55.05514	13.2
57.03442	12.8
57.07073	2.8
59.05003	3.7
61.02927	5.5
65.03947	2.2
67.05508	100.0
68.05843	2.2
68.76674	0.6
69.03429	2.2
69.07068	7.4
71.04984	2.9
73.02919	1.6
79.05495	34.4
80.05830	1.3
81.03432	2.0
81.07061	37.2
82.07397	1.0
82.33389	0.6
83.04979	3.0
83.08619	8.9
85.02908	5.6
85.06551	3.2
86.09715	1.2
89.06000	0.8
91.03957	1.7
91.05482	19.1
92.05821	0.7
92.76878	0.7
93.07047	39.9
94.07377	1.0
95.04993	3.7
95.08610	22.7
96.05323	0.6
96.08941	0.7
97.02908	2.8
97.06556	2.4
97.10168	1.6
99.04443	0.7
99.08102	3.0
105.04623	0.6
105.07029	10.0
107.08596	15.8
107.09286	1.1
109.06525	1.6
109.10158	70.9
110.10522	2.5
111.08080	5.0
113.09665	1.0
117.07014	4.9
119.08585	13.1
121.06465	0.8
121.10143	16.8
123.08076	0.9
123.11710	3.0
124.99963	0.8
125.09648	2.2
127.03921	0.8
129.07043	0.7
131.08568	8.7
133.10133	7.6
135.08064	1.0
135.11696	15.9
136.12033	0.7
137.09631	4.1
137.13281	0.8
139.11197	1.0
143.08623	1.0
145.10100	6.8
147.11696	5.2
149.13260	7.0
151.11186	1.3
155.10655	4.8
157.10191	0.9
159.11714	6.0
161.13315	1.3
163.11230	1.4
173.11781	19.3
173.13274	3.9
175.14806	0.9
184.07391	3.3
187.14833	1.9
189.11224	0.8
189.16339	1.2
201.11244	1.1
205.15909	0.7
205.19586	1.9
215.17950	16.6
216.18378	1.3
227.12854	2.4
229.14351	78.9
229.97668	0.6
230.14676	4.0
233.19008	15.8
234.19490	1.1
254.19913	0.6
289.21747	1.7
307.22672	60.5
308.23071	4.6
317.72061	0.6
335.25714	3.4
351.26859	0.8
369.27985	0.8
427.17667	0.7
429.16946	0.9
456.17664	2.4
457.17361	0.8
460.15860	0.6
461.32629	46.0
462.32977	6.3
470.52121	0.7
479.33670	1.9
484.16882	3.9
488.16336	0.9
515.19232	0.7
528.15808	4.4
529.16022	1.8
572.59052	0.7
630.22723	5.6
631.23370	0.9
658.22052	14.3
658.34229	4.8
659.21777	3.6
659.37915	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
54.46928	0.4
55.01856	0.8
55.05511	5.4
57.02539	0.4
57.03435	7.9
57.07080	2.0
59.75658	0.5
61.02914	2.8
61.47110	0.4
65.03937	0.6
67.05504	18.3
68.05820	0.5
69.03413	1.0
69.07060	4.4
71.04993	0.7
71.08624	1.4
73.02904	0.8
79.05491	20.4
80.05811	0.6
81.03426	1.0
81.07053	100.0
82.07384	2.2
83.04970	1.3
83.08610	2.2
85.02914	2.3
85.06529	0.5
87.04436	0.4
87.26828	0.4
89.06033	1.9
91.03963	0.9
91.05479	6.9
93.07040	12.9
94.07353	0.5
95.04974	1.3
95.08603	13.2
97.02899	1.6
97.06529	1.1
97.10185	0.9
98.23351	1.3
99.08088	4.9
103.03996	0.8
103.29795	0.4
105.07032	5.3
107.08588	6.8
109.06531	2.3
109.10152	6.8
111.08072	0.9
117.07032	1.5
119.08597	4.0
121.10146	6.3
123.08095	0.5
123.11697	2.3
127.07550	9.1
131.08578	3.5
133.08623	1.0
133.10109	3.6
133.55899	0.4
135.08047	0.7
135.11676	4.3
137.13252	0.8
143.07034	1.0
143.08565	0.5
145.05006	0.4
145.08600	7.6
145.10008	2.9
147.11696	2.1
149.13287	3.1
151.11166	0.6
159.11734	2.3
159.12854	0.4
161.13298	1.2
163.14796	2.1
173.13252	2.2
175.14857	0.9
177.16393	0.8
184.07382	1.1
185.13196	0.5
187.14847	1.4
194.64073	0.4
199.09692	2.5
201.11211	53.1
202.11594	1.8
229.14340	1.0
243.21080	3.4
261.22119	12.2
262.22479	1.0
263.08282	0.4
275.20108	0.5
313.83429	0.5
317.24860	1.9
335.25787	38.4
336.26129	3.8
351.27158	0.6
369.27994	1.6
435.28595	0.4
443.31558	0.7
461.32581	15.0
462.32922	2.2
479.33682	2.1
608.22601	0.6
633.34302	0.5
658.31317	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	36.5
57.03418	15.9
57.07069	43.1
60.08549	10.1
63.30666	11.2
66.19677	9.8
67.05515	68.0
68.05167	11.4
69.07066	33.9
71.08627	21.4
71.27158	10.8
71.27581	18.3
79.05488	41.2
81.07063	76.2
83.08607	29.5
85.10195	15.9
89.06046	60.2
91.05469	30.1
92.92255	10.0
93.07034	25.4
95.08602	37.3
95.45520	10.6
97.10168	17.5
98.98445	23.1
105.07015	23.6
105.21716	10.7
107.08604	14.6
109.10139	49.6
117.06983	12.2
119.08546	17.4
121.10115	16.8
131.08553	15.7
133.08556	26.2
133.10132	14.1
135.11646	12.3
149.13304	11.5
155.01137	15.4
182.08630	10.2
227.12840	15.3
229.14326	54.6
236.15068	17.2
269.17477	18.6
275.19980	21.7
313.27298	100.0
318.88440	12.9
349.23853	23.5
349.42831	11.9
467.37341	36.5
505.38815	14.8
507.40155	33.9
587.46301	11.8
658.51508	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94755	0.7
56.96624	3.5
69.91561	3.1
85.02953	0.9
97.02950	1.6
98.23264	1.3
98.97588	11.1
101.00895	6.0
103.00700	1.3
110.97668	2.0
112.89715	3.1
113.00942	1.5
114.89429	0.7
116.98628	4.0
119.01929	9.6
120.02222	0.7
121.01769	2.7
122.11524	0.7
127.02508	1.7
128.98727	2.4
129.04089	1.0
131.01935	4.7
132.02022	1.0
133.01778	0.8
133.03470	0.8
133.45219	0.7
137.03047	1.0
140.98669	1.0
143.00259	1.8
143.01907	11.1
145.01787	2.7
145.03458	6.9
147.03300	1.8
153.02306	1.0
153.04153	2.8
155.00185	1.7
155.01912	9.1
156.02821	0.7
157.01784	2.1
157.03476	5.2
158.99791	2.1
159.03258	1.0
161.02962	12.7
163.02870	2.6
167.01910	3.9
169.01837	0.9
169.03639	3.0
170.99838	1.7
171.01529	1.8
171.03610	1.4
171.05028	14.7
172.05276	1.2
173.01416	3.7
173.03114	12.5
173.04538	1.0
174.03148	1.7
175.02849	2.9
175.04482	0.9
177.00793	1.3
179.02071	2.3
181.01903	1.3
181.03564	1.3
182.99719	1.1
183.03421	0.7
183.05159	1.7
185.02989	17.6
186.03256	2.6
187.02890	4.2
187.04680	1.9
189.00786	1.0
189.04486	1.1
189.06227	1.2
191.02336	1.3
193.03728	1.0
197.01314	4.1
197.02945	22.8
198.03325	2.1
199.02995	1.4
199.04703	1.9
200.05028	0.7
201.00899	3.2
201.04420	0.8
201.06149	1.5
203.04004	12.8
204.04372	1.5
205.03925	3.2
209.03040	1.7
215.02335	9.7
215.04202	33.6
216.04337	2.8
217.03897	1.1
219.01942	2.7
221.03061	1.8
221.05078	12.2
221.07176	0.9
222.05266	1.6
223.04764	3.6
227.04013	5.0
229.03947	1.1
229.05907	1.1
233.03436	2.0
233.05370	1.5
237.03055	2.7
238.05783	0.9
239.04201	2.9
241.05779	1.7
245.05093	24.0
246.05293	4.0
247.04893	9.2
257.05310	6.6
259.06863	1.9
260.07129	1.2
261.03000	2.6
261.06607	2.4
263.06192	5.0
265.06088	1.0
269.05078	5.8
273.06454	1.4
275.06406	3.4
277.06085	1.0
279.04034	1.7
287.06168	27.5
288.06467	1.8
299.06238	2.4
305.07184	20.4
306.07547	1.7
317.07333	100.0
318.07373	8.1
318.86166	1.0
332.06656	0.8
333.06934	1.0
334.07144	0.8
335.06323	17.2
336.07358	0.8
365.09207	4.5
366.09537	0.7
367.59979	0.7
375.07843	1.1
377.07574	9.2
381.07825	5.0
389.07736	1.8
395.08691	0.9
407.09476	1.2
425.11606	1.7
437.11087	4.3
479.12036	13.7
480.12476	1.5
497.12988	13.4
498.13327	1.8
607.95282	0.8
659.17749	50.0
660.18457	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2344
Annotation	Xyloccensin T
Peak:m/z	Relative Intensity
55.01873	1.1
55.05515	2.3
67.05508	6.2
69.03423	1.4
69.07068	2.2
71.29785	1.1
79.05498	4.0
81.07062	6.4
91.05479	4.5
93.07044	3.7
95.04965	2.1
95.08603	3.0
97.10130	1.1
101.09869	1.1
105.07037	3.5
107.04934	1.2
107.08601	2.7
107.36121	1.2
109.10149	1.4
117.07001	1.8
119.08585	2.5
121.10162	2.8
129.07031	1.7
131.08569	1.8
133.10077	1.9
135.11678	0.9
145.10027	1.2
184.07301	1.3
229.14496	1.2
248.15318	1.3
281.12827	1.3
344.51376	1.1
385.12747	1.7
386.13782	1.2
398.13113	1.2
399.14383	1.9
400.15396	7.2
401.15570	2.4
409.13486	1.2
410.14441	1.2
411.15717	1.8
413.16171	2.1
414.16800	3.1
415.16608	1.5
421.13080	3.8
422.13718	5.7
423.14462	4.0
424.15408	2.7
425.16138	1.8
427.17911	2.2
429.19037	3.4
435.14383	5.5
436.15503	6.5
437.16257	12.8
438.16669	4.0
440.14294	1.3
441.15222	2.4
449.15924	3.2
450.16843	4.0
451.18591	6.5
452.18994	5.6
453.15375	1.3
455.17633	2.4
456.17502	2.8
457.18005	2.0
464.14569	3.4
465.14597	5.5
466.20282	1.8
467.17102	3.9
468.17819	1.4
469.15021	3.3
473.96503	1.5
478.16257	3.9
479.16925	3.9
480.18161	6.9
481.14316	1.8
481.19077	2.0
482.15894	3.2
483.16644	4.5
484.16595	6.8
485.16953	1.7
492.17413	1.6
493.19043	13.2
494.19373	3.0
495.16187	6.7
496.17056	3.6
497.18027	1.3
498.15143	2.3
504.78604	1.2
506.15494	1.4
507.16629	3.1
508.17505	7.9
509.18234	6.8
510.18326	4.1
511.19012	3.9
512.16431	11.0
513.16876	2.3
520.16504	1.3
521.18274	10.6
522.15497	4.2
525.21082	1.7
526.14801	2.4
539.18762	3.1
540.19305	5.0
543.22089	3.5
549.17792	2.8
553.20868	18.4
554.21088	4.0
571.21582	4.6
572.22278	7.6
581.20300	56.1
582.20612	10.9
598.20465	1.3
599.21136	23.8
600.21429	8.2
609.19519	2.0
613.22913	23.9
614.23297	6.1
622.22498	3.1
631.23663	4.6
641.22388	100.0
642.22693	23.1
659.23175	27.1
659.37103	11.1
660.23883	6.1
660.33948	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99878	0.6
52.57236	0.8
55.05505	1.5
57.07073	1.8
65.11915	0.6
65.96714	0.8
67.05499	2.9
69.07065	1.2
70.06591	3.4
71.08633	1.3
71.30278	1.1
79.05485	1.8
79.84757	0.8
81.03430	1.3
81.07046	2.6
82.78838	0.8
83.04966	0.9
83.08640	0.6
88.07618	4.0
91.05479	1.9
93.07050	2.7
95.05001	1.0
95.08578	1.7
97.06561	1.0
98.88302	0.7
102.09184	3.0
105.07011	2.6
107.08610	1.8
117.07001	1.2
119.08576	1.8
121.10159	1.9
122.99680	0.7
125.09596	0.9
131.08546	1.4
133.10135	1.4
135.11673	1.0
145.10083	0.8
149.02339	8.3
150.02666	2.2
163.08919	0.7
163.11154	0.7
170.65524	0.8
180.62399	0.8
184.07425	0.9
193.04955	7.9
194.05293	2.9
237.07597	1.9
253.13518	1.2
256.26300	7.5
257.26749	4.6
265.17242	0.8
295.12811	0.8
313.13889	1.9
341.06424	1.1
342.07004	0.8
385.08957	2.2
386.09448	1.8
399.14539	0.9
403.09888	0.9
411.14508	0.9
417.12872	1.0
427.13782	1.7
428.14944	0.9
429.11493	3.7
430.12302	3.8
437.15948	0.8
439.13776	1.3
441.15567	1.3
444.12766	0.8
452.14246	0.8
453.15521	1.4
454.16516	1.4
455.12811	0.9
462.17227	1.0
465.15866	1.2
467.12845	1.2
469.14691	4.1
470.15579	1.9
471.16904	1.5
472.16962	1.3
483.12579	2.3
483.17215	0.9
484.17700	1.1
485.18079	2.0
495.16541	2.1
497.13409	1.6
497.18567	2.0
498.18906	0.8
511.16620	1.5
512.17041	8.2
513.17725	11.7
514.17798	2.7
525.17731	14.7
526.17957	3.3
531.18732	1.1
539.19214	2.0
540.18536	1.0
543.18665	1.0
552.16992	0.8
554.18158	0.9
557.19977	2.4
567.18756	1.4
571.21545	1.3
572.19751	0.7
583.24835	2.1
585.19623	1.0
599.21338	13.5
600.21826	3.4
617.22461	5.8
618.22711	1.1
627.20636	10.7
628.21283	2.7
658.35303	2.6
659.23126	100.0
659.35718	25.8
660.23730	21.7
660.34924	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38905	0.5
55.01838	0.7
63.67505	0.6
69.03407	1.0
69.07043	1.0
69.69681	1.4
69.70079	2.1
79.05457	0.8
81.03365	0.7
81.07041	1.0
85.02885	1.0
86.80346	0.6
86.91628	0.6
91.05428	0.9
96.63783	0.6
97.02892	0.9
97.06522	1.5
107.08528	0.7
127.03855	0.6
138.09142	0.7
145.04964	1.5
147.04424	4.0
158.05788	6.1
159.06509	1.6
160.07364	3.2
176.15161	0.6
177.05286	0.7
186.05254	19.5
189.13896	1.1
203.07924	2.9
203.11838	1.7
204.06311	2.0
215.09055	0.8
219.14876	0.8
239.08046	0.7
251.10280	0.8
285.08466	6.8
311.06604	0.9
327.09314	0.9
329.11087	0.8
362.11203	1.9
363.11835	9.6
418.13635	3.6
419.13867	0.8
420.15378	2.6
430.13620	1.1
446.16925	1.8
448.14795	100.0
449.15131	8.2
459.85983	0.6
474.16592	1.4
490.15976	2.7
491.16638	36.8
492.17389	72.4
493.17563	7.2
522.18579	1.6
611.24701	1.5
629.25751	29.4
630.26050	3.3
641.25812	1.4
659.26770	73.2
660.26935	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	659.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70726	0.5
56.50177	0.5
68.98162	2.8
68.98586	1.9
79.05403	0.6
145.04941	1.9
147.04358	0.7
158.05765	6.5
159.06581	1.0
160.07343	3.7
185.04539	0.7
186.03598	1.1
186.05254	18.8
189.13762	1.1
194.27515	0.6
203.07863	3.6
203.11761	1.2
204.06265	1.9
214.08408	0.7
215.07085	0.6
215.09082	1.2
266.08136	0.6
285.08481	5.8
309.08527	0.6
312.07449	0.5
327.09518	0.9
329.11084	1.4
362.11197	1.8
363.11877	11.5
364.12103	1.0
418.13846	4.2
420.15622	0.6
430.13715	1.4
446.16830	1.6
448.14783	100.0
449.15186	7.8
464.18115	0.6
466.19150	0.7
474.16577	1.5
490.15808	3.5
491.09482	1.1
491.16638	23.9
492.17386	65.8
493.17697	5.3
496.20740	0.7
522.18713	1.4
611.24451	0.9
629.25714	46.8
630.25824	5.8
641.26306	1.4
656.96155	0.6
659.26794	85.7
660.27313	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	660.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.8
53.03934	2.7
55.01872	11.4
55.05512	11.2
57.03167	0.9
57.03440	14.5
57.07074	0.8
59.04995	1.3
61.02926	7.3
65.03931	1.7
67.05507	13.6
69.03417	3.1
69.07066	2.5
70.56144	1.6
71.01349	1.8
71.04995	3.4
73.02922	1.6
73.97523	0.7
75.45524	0.7
79.05493	38.1
81.03419	12.5
81.07058	13.2
83.01345	11.2
83.04987	8.7
83.08622	6.3
85.02906	6.7
91.03963	2.1
91.05482	50.6
92.05803	1.2
93.07041	30.8
94.07345	1.1
95.04966	5.9
95.08588	5.4
97.02872	4.4
97.06520	4.8
97.10168	0.8
99.04466	2.4
103.05444	1.2
105.03407	0.7
105.07034	6.5
107.04958	10.7
107.07864	1.4
107.08595	27.9
109.06519	6.4
109.10165	1.0
111.04449	3.4
111.08080	2.3
115.05423	5.0
117.07019	40.6
118.07376	1.3
119.08576	6.3
121.06526	2.5
121.10132	4.7
123.08051	7.6
125.05962	1.8
125.09637	1.8
129.06992	1.2
130.07819	0.8
131.08537	1.9
133.10121	1.4
135.08052	46.4
135.11665	8.8
136.08453	1.3
137.09608	1.8
143.08571	0.7
145.06467	2.4
145.10130	10.4
146.10472	0.8
147.08044	1.9
147.11630	0.7
153.09123	2.3
153.12752	2.1
155.08574	1.2
163.07553	6.9
163.11191	16.3
173.09624	1.9
181.08624	3.6
181.12244	2.8
191.10645	1.9
199.09624	1.8
209.11745	6.4
227.12813	3.8
255.12270	100.0
256.12613	5.0
283.15399	91.8
284.15802	5.6
358.35165	0.9
441.65979	0.8
445.21902	0.9
452.57443	0.9
463.23251	72.1
464.23495	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	660.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74514	0.9
51.84231	1.1
53.03945	3.0
55.01875	11.0
55.05508	8.3
57.03444	13.4
58.44968	0.8
59.05035	1.7
61.02937	6.0
65.03924	1.6
67.05509	11.0
69.03429	3.3
69.07056	2.1
70.56126	1.9
71.01328	1.5
71.04986	2.0
73.02908	1.4
79.05491	34.3
80.05833	1.2
80.73080	1.0
81.03422	8.4
81.07060	10.1
81.48283	0.9
83.01332	10.1
83.01743	1.1
83.04981	7.8
83.08627	5.4
85.02901	7.5
91.03948	2.8
91.05482	44.4
93.07043	28.9
95.04973	5.3
95.08603	4.1
97.02892	3.8
97.06528	4.1
97.10188	1.6
104.05817	0.9
105.07037	7.3
107.04960	8.9
107.08591	25.4
108.09005	1.3
109.06515	5.8
109.10151	2.1
111.04433	2.9
111.08082	1.8
115.05428	4.4
117.07018	38.8
119.08588	6.8
121.06498	2.1
121.10139	3.9
123.08065	6.0
125.09604	1.3
127.03926	1.7
129.06967	0.9
130.11333	0.9
131.08534	2.6
135.08047	42.2
135.11700	7.8
137.09612	1.6
145.06529	1.6
145.10133	8.1
147.08089	1.5
149.09541	1.0
153.09122	2.2
153.12785	1.5
163.07539	6.8
163.11140	12.3
173.09685	2.1
181.08603	3.5
181.12254	2.5
181.22044	1.0
191.10696	2.4
199.09622	2.5
209.11760	4.5
220.44998	0.9
227.12796	2.3
237.11234	1.0
255.12267	100.0
256.12650	4.0
283.15393	91.5
284.15784	4.7
445.22284	1.8
463.23236	72.6
464.23511	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	660.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01878	4.0
55.05275	1.0
55.05515	12.7
57.03440	12.2
57.07085	1.8
59.04993	1.5
61.02915	1.6
64.52164	0.8
65.03932	1.2
67.05504	25.0
69.07067	7.6
70.56932	1.5
70.57246	0.7
71.01339	3.0
71.04982	3.6
72.92343	0.7
79.05493	28.7
81.03421	9.0
81.07053	18.8
83.01353	4.1
83.01774	0.9
83.04980	10.0
83.08615	8.1
85.02899	4.7
85.06531	2.9
90.06177	0.8
91.03954	0.8
91.05482	14.7
92.05798	0.8
93.07043	36.4
94.07367	1.3
95.04967	6.6
95.08630	6.2
97.02884	2.5
97.06521	8.4
97.10162	7.6
99.04463	1.7
99.08050	0.9
105.07030	6.1
107.04951	5.1
107.08590	22.6
109.06512	3.5
109.10165	4.1
111.04452	1.2
111.08072	2.4
117.07024	5.6
119.08588	7.2
121.06507	1.3
121.10152	8.5
123.08098	4.5
125.05991	1.7
125.09657	1.0
127.09133	0.8
129.06989	1.6
131.08566	2.7
133.10114	2.6
135.08072	2.0
135.11690	37.9
136.11995	1.9
137.09557	1.6
143.08530	1.3
145.10117	13.2
147.08041	1.3
153.12730	2.0
162.49904	0.7
163.11174	18.5
164.11539	0.8
173.09592	1.3
181.12227	9.8
191.10643	2.5
197.67116	0.8
199.13364	0.8
209.11757	5.3
227.12764	4.4
252.96927	0.8
255.15910	62.4
256.16251	3.7
265.14563	1.3
283.15396	44.5
284.15686	2.5
344.39175	0.8
366.73337	0.9
445.25504	2.9
451.65454	0.9
463.26904	100.0
464.27350	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	660.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65464	1.3
53.20636	1.3
55.01883	2.1
55.05514	16.0
57.03444	15.8
57.07087	6.8
59.05001	3.7
61.02928	4.2
64.47366	1.3
65.03939	2.8
67.05506	100.0
69.03417	2.0
69.07071	16.5
71.04994	4.7
71.08642	3.6
71.29575	1.8
72.04777	1.3
73.02908	2.2
79.05116	1.9
79.05499	16.4
81.07056	50.8
81.07531	3.0
82.07390	1.8
83.04980	2.5
83.08621	12.0
85.02924	5.8
85.06538	5.0
85.10183	3.6
89.06039	6.7
91.03954	2.1
91.05482	17.2
93.07040	14.6
94.06609	1.3
95.04977	2.8
95.08611	32.5
97.02897	3.3
97.06515	3.0
97.10170	2.9
99.08106	3.8
105.07037	7.2
107.08598	7.5
109.10158	75.1
110.10498	2.8
111.08092	5.0
113.09676	1.8
117.07049	2.4
119.08579	11.8
121.10152	6.2
123.08042	1.8
123.11705	5.0
124.99944	1.3
125.09637	2.1
131.08597	2.5
133.08609	3.5
133.10098	8.6
135.11690	5.2
137.09607	4.5
145.10126	1.6
147.11716	4.5
151.11218	1.8
155.10632	4.8
161.13266	2.0
163.11189	1.5
173.11731	23.3
173.13123	1.9
184.07411	2.5
202.15952	4.4
217.19534	5.7
229.14349	97.8
230.14703	3.8
235.20642	6.8
236.14861	1.9
272.91269	1.3
291.23132	1.7
300.13599	5.2
309.24231	76.3
310.24640	6.1
463.34189	70.9
464.34415	7.3
499.33783	1.3
583.25641	1.7
660.46130	1.9
661.25842	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	661.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.6
55.05515	0.8
56.33747	0.4
57.03431	1.3
60.27276	0.5
62.35291	0.4
67.05492	2.2
69.07067	0.9
79.05507	2.6
81.03399	1.5
81.07038	1.4
83.04985	1.0
83.08599	0.7
86.16084	0.5
91.05452	2.7
93.07019	1.5
95.04948	1.4
95.08611	1.0
97.02882	0.7
97.06520	1.2
97.10233	0.5
99.04501	0.6
105.07015	1.1
107.08593	1.5
109.06497	0.5
117.07024	1.2
119.08566	1.7
121.10138	1.2
121.36472	0.5
129.05476	0.9
131.08502	0.7
133.10115	0.7
135.08057	0.9
135.11703	1.0
135.83400	0.5
145.10104	1.2
147.01434	0.5
147.11562	0.5
163.11125	1.2
181.12292	0.6
255.16014	0.7
256.16339	0.6
283.15540	0.7
284.15897	0.5
387.14697	1.0
388.16037	0.6
394.17551	1.0
401.16159	1.5
405.15561	0.7
408.19626	0.6
414.12823	0.7
415.14063	1.5
416.14783	1.6
417.15634	0.7
419.17416	0.8
428.14532	1.2
429.15634	9.7
430.16275	4.8
431.17258	6.7
432.17792	1.5
435.17953	0.8
437.26358	0.6
441.15613	1.4
442.16467	1.8
443.17963	3.2
444.18170	9.8
445.18903	3.9
447.16772	0.9
448.18448	0.8
453.15176	0.6
454.16238	4.2
455.17328	4.1
456.18185	2.9
457.14346	17.7
458.14371	2.6
459.16855	1.7
461.17828	0.7
464.27209	0.8
467.17227	1.1
468.18182	1.1
469.19104	4.5
470.15790	0.6
471.16055	7.7
472.17416	30.5
473.18027	6.1
474.18903	1.3
482.15924	1.2
483.16296	0.9
483.26013	0.7
485.18500	0.8
497.18091	3.1
500.16824	2.4
501.17581	2.2
502.18350	0.6
515.19232	4.4
516.20001	1.8
517.20703	0.8
518.21259	0.6
527.18988	0.8
530.21552	1.8
531.22449	10.0
532.22504	1.4
541.21436	0.7
556.19574	1.7
559.21899	65.9
560.22211	10.4
577.22913	0.9
587.21375	4.0
588.22131	0.6
619.24005	100.0
620.24231	15.2
629.22424	1.1
643.24042	1.1
661.25006	65.2
662.25385	11.0
662.36340	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75889	0.7
53.03946	0.8
55.01859	0.6
55.05497	1.4
57.07055	0.8
57.16111	0.7
61.02932	3.4
67.05499	5.0
69.03422	2.4
71.05025	0.8
71.30549	1.2
71.46510	0.7
73.02899	2.4
75.04468	2.4
78.04675	0.7
79.05497	4.8
80.36221	0.6
81.03413	4.0
81.07056	4.5
83.04969	1.3
83.08595	1.8
85.02914	2.7
85.06524	1.0
91.03941	1.6
91.05475	9.4
93.07029	4.5
95.04977	2.4
95.08588	1.2
97.02886	3.4
97.06558	0.7
99.04443	1.6
101.02375	1.9
105.07010	5.7
107.04945	1.1
107.08585	2.1
109.06553	1.2
109.10167	1.0
111.08100	0.9
117.07000	1.5
118.76384	0.6
119.08582	3.8
121.06519	0.7
121.10143	2.0
123.08057	2.1
127.03886	0.9
131.08609	1.8
133.10159	4.4
135.08058	1.6
137.09642	0.8
143.08586	1.6
144.09363	0.9
145.10136	1.8
147.11665	2.0
149.09619	2.0
157.10126	1.2
161.09662	1.8
161.13232	0.9
163.11247	1.2
165.06776	0.8
165.09151	0.8
167.10715	1.4
169.10039	0.9
171.11693	0.8
189.12721	1.4
193.12259	0.7
221.15434	0.9
233.15337	1.2
243.08536	2.1
243.70810	0.6
247.13019	1.1
265.54477	0.6
323.41550	0.6
420.85959	0.6
437.17773	7.8
465.20972	4.2
661.31793	100.0
662.32300	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	661.319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01254	0.3
53.03950	0.5
55.01874	0.4
55.05515	0.9
57.03439	0.9
61.02936	0.3
67.05489	1.8
69.03445	0.6
69.07069	0.6
69.20464	2.5
75.99125	0.3
79.05480	1.9
81.03430	1.0
81.07080	1.1
83.04987	0.6
83.08617	0.6
85.02890	0.4
90.81775	0.3
91.05459	1.5
93.07050	2.1
94.07414	0.4
95.04993	0.7
95.08581	0.5
97.02894	0.5
97.06573	0.9
97.10197	0.3
98.22642	0.6
105.07044	1.0
107.04948	0.3
107.08629	1.1
109.06545	0.6
109.10212	0.3
109.13656	0.3
109.14381	0.3
117.07018	0.6
119.08589	0.6
119.23833	0.3
121.10158	0.5
123.08088	0.4
127.04029	0.4
129.07001	0.4
133.10153	0.5
135.11667	1.8
136.12057	0.5
145.10165	0.5
161.09647	0.3
163.11205	0.7
181.12337	0.6
182.12685	0.4
184.07362	0.3
197.34990	0.3
243.08495	0.9
255.15845	2.5
256.16415	1.4
261.65411	0.3
267.16092	0.6
271.73456	0.3
283.15527	0.8
425.22891	0.5
443.24020	2.7
444.24597	0.5
463.27231	0.5
464.27533	1.7
465.28574	0.9
471.27359	0.4
472.17767	0.7
499.26584	3.0
500.26974	0.5
559.21936	1.0
560.22498	0.4
619.24097	2.4
620.24695	0.5
633.32587	1.2
661.31970	100.0
662.32330	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06754	3.4
57.07076	5.5
61.95214	3.9
75.21949	3.6
79.05504	5.1
81.07066	7.7
87.04472	8.1
98.23452	7.9
107.08645	4.2
115.54830	4.3
146.53734	3.9
216.13664	4.2
228.96754	3.7
262.33383	3.9
465.89120	4.1
661.44385	100.0
662.44244	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65635	1.5
52.67699	1.4
53.03941	2.0
55.01877	10.3
55.05515	11.9
57.03187	2.5
57.03440	16.1
61.02931	4.6
65.03923	1.9
67.05505	29.6
69.03431	5.6
69.07070	5.5
69.11066	14.2
71.04987	4.2
79.05495	26.9
81.03418	51.9
81.07056	19.3
83.01360	6.0
83.04970	11.8
83.08623	7.2
85.02902	18.3
91.03973	1.8
91.05484	67.2
92.05827	2.7
93.07046	37.2
95.04955	8.4
95.08608	21.6
97.02896	6.3
97.06537	8.0
98.23454	1.7
99.04444	1.8
101.40720	1.6
105.07039	11.4
107.04977	7.5
107.08590	13.3
109.06510	7.0
109.10160	15.2
110.20939	1.5
110.21748	2.0
111.04426	4.3
111.08052	2.1
115.05458	3.2
117.07024	13.7
119.08582	71.2
120.08928	2.3
121.06517	6.1
121.10133	8.2
123.08081	6.6
125.09651	2.2
129.07034	4.6
131.08578	3.6
133.10097	1.9
135.08055	12.4
135.11681	7.4
136.08391	2.1
137.09631	33.7
145.10136	10.6
147.08047	10.2
156.26242	1.7
163.03880	3.2
163.07567	2.2
163.11185	20.2
165.09119	28.5
173.09659	4.3
174.21852	1.6
175.11212	1.5
181.12248	2.9
183.10217	12.6
185.37788	1.4
191.10707	2.3
193.12204	3.2
206.11879	1.8
209.11757	6.2
210.08913	1.6
211.13336	3.5
227.12823	5.5
239.12762	20.2
249.63504	1.7
255.12254	10.3
256.12531	2.5
257.13861	43.8
258.14227	2.7
259.09705	2.2
267.15933	3.0
283.15405	61.5
284.15738	7.0
285.16806	3.4
355.18948	5.8
429.22681	5.2
447.23749	19.2
465.24838	100.0
466.25128	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	662.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62075	1.2
53.03944	3.2
55.01870	8.4
55.05501	10.2
57.03432	17.6
59.04999	1.4
61.02927	6.9
65.03925	1.8
67.05502	21.7
69.03422	4.7
69.07063	5.9
69.22802	9.2
71.04982	3.9
73.02901	1.4
79.05489	36.9
81.03414	45.2
81.07054	14.9
83.01343	5.9
83.04991	12.1
83.08611	13.1
85.02905	19.1
85.06558	1.5
91.03946	3.7
91.05477	68.5
93.07035	29.7
95.04967	17.6
95.08592	7.8
97.02901	7.8
97.06533	5.5
97.10191	2.8
99.04434	1.5
105.07009	14.0
107.04967	11.0
107.08588	19.8
109.06496	3.6
109.10149	4.5
111.04446	4.3
111.08097	4.1
113.06030	1.7
115.05450	3.6
117.07008	31.5
118.07321	1.5
119.08575	32.2
120.08925	1.8
120.41818	1.4
121.06509	4.7
121.10148	5.9
123.08064	4.3
125.09617	2.9
127.03925	2.8
129.06998	6.0
131.08586	7.5
133.06555	2.1
133.10141	5.4
135.08049	38.4
135.11714	3.0
137.09604	10.9
145.10120	5.0
147.08073	4.8
147.11690	6.9
149.09669	3.8
153.09184	1.6
157.10139	5.2
163.03883	2.3
163.07567	4.9
163.11220	5.3
165.09108	9.2
175.11086	6.2
181.08635	2.1
181.28215	1.3
183.10147	4.6
193.12256	20.2
194.12500	1.6
196.06773	1.2
199.09709	2.2
211.13286	36.5
211.15210	2.5
212.13795	1.9
223.41769	1.5
239.12740	7.8
255.12263	53.4
256.12692	3.7
257.13858	13.0
259.09683	2.2
267.15948	9.4
283.15399	23.5
284.15750	2.5
285.16965	28.5
286.17496	1.6
294.69800	1.4
309.17776	1.3
314.96561	1.5
355.19214	3.3
429.22574	3.9
447.23715	14.9
448.24606	1.7
465.24832	100.0
466.25308	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	662.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.5
55.01873	5.1
55.05274	1.7
55.05516	22.0
57.03443	22.2
57.07093	2.3
61.02919	4.4
65.03942	1.7
67.05511	50.7
68.05849	1.6
69.02766	1.1
69.03434	5.7
69.07072	18.3
71.01353	4.5
71.05003	7.5
79.05500	52.1
81.03425	54.9
81.07065	34.0
83.04984	21.7
83.08623	18.9
85.02914	16.4
85.06548	3.5
87.04471	1.4
91.04906	1.6
91.05486	37.6
93.07050	46.5
93.07635	2.8
95.04973	25.3
95.08611	11.9
97.02882	5.8
97.06535	13.4
97.10169	14.2
98.23470	2.4
99.04443	2.7
99.08089	2.6
105.04515	1.3
105.07040	18.2
107.04971	6.9
107.08603	30.1
109.02878	2.1
109.06520	5.1
109.10204	5.9
111.04422	3.9
111.08095	8.9
113.06015	1.6
117.07034	6.8
119.08596	20.1
119.09438	1.7
121.06519	3.9
121.10133	10.5
123.08062	2.9
125.09654	2.8
129.05484	5.2
129.06987	10.0
131.08580	10.9
133.06538	2.5
133.10132	12.0
135.08083	3.6
135.11699	41.3
136.12065	1.5
137.09604	3.5
142.07794	2.7
143.07027	2.4
143.08633	1.5
145.10132	9.7
147.08049	4.1
147.11687	11.7
149.09587	5.7
151.11160	1.9
153.12718	1.6
157.10129	11.0
163.11217	7.8
172.10968	1.3
175.11154	10.4
181.12259	8.8
191.72858	1.1
193.12244	29.6
199.13258	1.8
201.17444	1.0
211.13310	39.0
212.13623	2.1
228.77394	1.3
239.12772	2.8
249.14908	1.8
255.15935	100.0
256.16315	6.0
267.15915	21.1
283.15491	2.4
285.16986	29.6
286.17407	2.1
355.18353	1.3
421.26440	1.5
447.27560	34.8
448.27725	3.6
465.28577	91.4
466.28918	10.1
470.19611	1.3
551.40485	1.2
627.29578	1.9
630.22339	3.1
662.32788	1.8
663.29303	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	662.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.3
56.05028	0.6
57.07064	1.0
58.06607	0.4
60.08164	5.7
61.51862	0.2
67.05493	1.1
69.07043	0.5
71.07370	3.1
71.31504	0.2
79.05476	0.8
81.07061	1.2
83.04967	0.2
83.08610	0.3
86.09704	28.9
87.04463	2.6
87.10025	0.4
91.05479	0.8
93.07046	1.0
95.08591	0.7
98.98458	3.5
104.10727	2.5
105.07004	0.8
107.08608	0.4
109.10088	0.4
119.08559	0.7
121.10157	0.4
124.99998	20.6
131.08568	0.5
133.10098	0.3
135.07996	0.3
135.11714	0.3
143.00954	0.5
147.11635	0.2
184.07335	100.0
185.07672	1.7
199.76199	0.3
229.14244	0.4
275.36438	0.2
277.21588	0.3
281.62872	0.3
311.25668	0.3
465.36078	0.3
662.43414	5.7
663.43774	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
54.77841	1.1
55.05513	18.4
57.03432	10.3
57.07083	8.9
59.04999	4.9
60.08152	2.2
61.02938	5.1
65.03941	1.5
67.05506	78.7
69.03437	1.8
69.06730	1.8
69.07069	21.6
71.04984	3.5
71.07365	1.0
71.08617	3.7
73.02888	2.1
75.04488	3.2
79.05496	11.6
81.03407	1.1
81.07059	27.8
83.04993	1.2
83.08620	19.0
85.02890	3.2
85.06539	3.2
85.10174	1.6
86.09710	12.5
87.04461	9.6
89.06005	1.1
91.03934	1.4
91.05468	8.0
93.07051	12.4
95.04948	1.7
95.08610	19.5
96.46337	1.1
97.02904	2.2
97.06519	3.7
97.10145	6.9
98.98486	1.8
99.04521	1.2
105.07041	2.4
107.08589	9.8
109.06557	1.4
109.10158	66.6
111.04433	1.1
111.08079	3.4
111.11731	1.9
117.06998	1.1
119.08591	7.2
121.10134	12.0
123.08073	1.0
123.11740	2.7
124.99975	7.8
125.09677	2.0
133.10155	1.5
135.07999	1.5
135.11662	6.8
137.09616	3.3
145.10168	1.4
149.13229	2.7
155.10646	4.0
173.11751	21.8
173.13190	1.3
181.12355	1.1
184.07344	34.0
184.08951	2.1
207.11763	1.3
213.26570	0.9
219.21088	1.5
221.15288	1.5
229.14351	100.0
229.96205	1.2
230.14662	4.8
231.94275	1.1
237.22215	1.3
263.54581	1.2
283.72339	1.1
311.25793	74.4
312.26120	4.8
331.26291	1.3
465.35748	60.1
466.36252	6.7
575.38013	1.2
662.44226	4.0
663.45197	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	10.0
53.27973	6.8
53.81398	6.7
55.05509	34.7
55.29873	6.2
57.03432	17.3
57.07068	27.6
58.34435	6.9
59.38575	7.3
64.70121	7.4
67.05503	100.0
69.07067	30.1
71.08601	10.7
71.29261	10.5
78.31779	8.2
79.05498	72.1
81.03455	9.5
81.07047	92.7
83.04983	12.1
83.08603	21.1
87.04460	65.4
91.05475	84.4
93.07042	86.3
95.04967	18.1
95.08611	62.2
95.23953	7.5
97.06515	7.6
98.15891	7.6
105.07027	47.9
107.08584	35.7
109.10152	27.7
117.06993	20.3
119.08562	36.5
121.10158	26.6
129.07059	8.9
131.08551	26.3
133.10132	34.1
135.08093	7.2
135.11678	22.6
143.08646	12.7
145.10152	22.8
147.11691	19.1
149.13287	12.5
159.11707	18.6
173.13318	11.8
187.14796	10.5
225.11060	7.0
255.16026	10.5
257.19211	8.8
269.17340	10.5
275.20090	26.4
314.27646	7.4
327.07895	9.7
335.25803	90.4
336.25995	7.6
349.23657	18.2
368.50183	8.7
383.13828	10.5
495.26535	11.3
515.37341	9.7
529.38892	52.3
530.39258	12.6
547.39764	9.0
569.41357	13.5
622.27228	9.6
663.48175	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	663.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01865	1.4
55.05513	2.2
57.03437	2.7
59.05009	0.5
61.02936	3.0
65.11672	0.6
67.05515	4.9
69.03422	2.9
69.07072	2.4
71.04967	0.7
71.30598	0.9
73.02920	3.2
79.05492	5.3
80.05862	0.7
81.03422	5.9
81.07045	4.8
83.04984	3.0
83.08603	0.8
85.02909	4.2
90.77559	0.6
91.03960	2.5
91.05486	10.4
92.05824	0.7
93.07043	4.1
95.04987	3.0
95.08624	2.4
97.02906	4.4
97.06538	3.7
97.10178	0.7
99.04478	0.9
101.02383	1.7
103.03966	0.7
105.07039	5.2
105.72031	0.7
107.04972	1.7
107.08591	4.2
109.02907	1.1
109.06503	0.9
109.10197	1.4
111.08147	0.7
113.87475	0.7
117.07032	1.4
119.08570	3.0
121.06522	1.0
121.10159	2.2
123.08108	1.2
127.03938	1.2
131.08591	2.2
133.10117	3.8
135.08038	1.3
135.11742	2.5
136.12045	0.6
137.09680	0.7
141.07063	0.6
143.08617	1.2
145.10165	2.0
147.08058	0.8
149.09653	1.2
151.07590	0.5
157.10262	1.0
161.09610	1.1
163.03987	0.7
163.11232	2.0
181.12256	1.2
185.04340	0.8
185.09599	0.5
193.12248	1.1
195.11943	1.0
209.11810	0.6
213.09233	0.8
219.10001	1.3
243.08395	1.0
253.14453	0.9
255.15990	2.2
256.16312	0.9
259.09839	0.8
267.16150	0.8
285.17078	0.7
306.48413	0.7
337.14682	1.2
355.15482	2.5
437.17831	9.9
448.27994	1.1
465.28711	2.3
466.28815	5.3
467.18829	5.5
561.21545	0.8
621.23901	2.2
663.29895	100.0
664.30298	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	663.298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84368	0.4
53.03947	1.0
53.31143	0.4
55.01869	1.3
55.05508	1.7
57.03431	1.8
61.02929	4.1
67.05499	3.4
68.05838	0.4
69.03441	2.9
69.07062	1.4
69.19509	2.7
69.89243	0.4
71.01358	0.5
71.04987	0.8
73.02925	3.2
79.05486	6.5
79.68279	0.4
81.03409	2.6
81.07050	3.0
83.04983	1.9
83.08604	0.8
85.02905	4.8
91.03957	2.2
91.05486	5.9
93.07033	5.7
95.04983	1.7
95.08622	2.1
97.02901	3.9
97.06532	1.5
97.10152	0.6
99.04495	0.6
101.02401	1.5
105.07036	3.2
107.04942	1.2
107.08587	2.8
109.02905	1.0
109.06493	0.8
109.10174	1.4
115.05451	0.4
117.07018	3.6
119.08601	1.9
121.10166	1.1
123.08103	0.9
127.03922	1.4
129.07027	0.9
131.08571	0.9
133.10133	1.1
135.08049	4.8
135.11716	1.1
137.09634	0.4
143.08563	1.0
145.10143	1.4
147.08040	0.5
147.11732	1.2
149.09595	0.4
151.10872	0.4
154.02390	0.4
155.08575	0.4
156.60977	0.4
157.10126	1.0
163.11188	0.9
167.10739	0.6
171.11716	0.8
188.48257	0.4
189.12869	0.5
210.49734	0.5
215.07100	0.6
240.15048	0.4
243.08440	2.6
247.13174	0.8
255.12402	0.8
255.15869	0.6
283.15512	0.8
284.15927	0.5
292.13672	0.5
303.06650	0.6
439.15762	7.0
440.16159	0.6
465.20947	5.3
465.27368	0.7
467.27014	0.6
663.29828	100.0
664.30219	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	663.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
55.01896	0.5
55.05508	2.4
57.03435	1.9
57.07089	0.5
59.04986	0.3
61.02927	5.5
63.89219	0.3
65.03944	0.5
67.05503	7.1
67.69669	0.3
69.03426	3.5
69.07063	1.0
71.01330	0.6
71.04983	0.7
73.02915	4.4
74.18829	0.3
75.04477	1.2
79.05495	4.6
81.03441	2.2
81.07062	4.9
82.07391	0.4
83.04972	0.8
83.08620	0.8
85.02897	5.1
85.06535	0.8
87.04480	0.5
89.06023	0.4
91.03951	3.0
91.05485	3.3
93.07037	5.1
95.04976	1.0
95.08617	2.9
97.02873	4.0
97.06499	0.5
98.22464	0.3
99.04464	1.1
99.08105	0.6
101.02376	2.0
101.05997	0.4
103.03982	0.4
105.07029	2.3
107.08583	2.3
109.02885	0.6
109.06533	0.5
109.10153	5.0
111.08102	0.5
117.07045	0.6
119.08582	1.9
121.10144	2.4
123.08079	1.0
123.11649	0.4
125.06014	0.6
125.09639	0.5
127.03944	1.4
129.07040	0.4
131.08554	1.7
133.10112	2.0
135.08023	0.4
135.11682	1.0
137.09634	0.6
143.08542	0.4
145.10162	1.2
147.11690	0.4
149.13165	0.3
151.07582	0.6
156.09286	0.4
157.10155	0.9
159.11745	0.9
161.09654	0.5
161.13374	0.4
163.11229	0.6
165.09038	0.4
173.11755	0.8
173.13222	0.8
173.27391	0.3
178.91031	0.3
181.10092	0.4
181.12206	0.7
185.04233	0.5
187.11139	0.3
195.09958	1.0
199.14781	0.5
221.15393	0.8
223.16968	0.3
225.16586	0.4
243.08362	1.6
311.93329	0.4
328.72333	0.4
364.96902	0.3
413.17755	4.5
414.18411	0.4
469.94232	0.3
491.26126	10.0
492.26602	0.9
649.81592	0.4
663.37042	100.0
664.37421	13.2
664.48987	0.6
676.78046	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39005	0.4
53.16742	0.4
55.05516	0.7
57.07078	57.8
58.07436	1.0
67.05518	1.1
69.07072	0.6
70.51456	0.4
77.03635	0.5
77.04028	0.9
79.05512	0.8
81.07054	0.8
87.04474	0.9
91.05486	6.6
95.04969	0.8
95.60377	0.5
105.07023	2.4
107.08612	0.9
107.56551	0.4
117.07061	0.6
119.08589	2.0
131.08589	0.7
132.09351	0.7
133.17357	0.4
145.10124	0.4
147.11685	5.6
147.46718	0.4
152.06258	1.2
153.06998	4.0
171.08060	0.6
175.01599	0.5
228.09369	0.6
229.10204	1.4
233.03621	5.6
251.04684	16.9
252.05099	0.6
307.10950	2.8
309.06726	0.5
327.07794	100.0
328.08105	7.5
334.56360	0.5
383.14063	78.7
384.14459	7.6
401.15134	0.4
423.68936	0.5
439.20340	63.4
440.20670	7.5
486.61356	0.5
495.26587	58.4
496.26904	6.7
551.32831	63.3
552.33154	9.0
607.39087	37.7
607.46375	0.7
607.49200	0.8
608.39441	6.8
663.45349	7.2
664.45520	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26898	2.8
53.93764	2.5
57.07084	14.6
60.87706	2.5
68.99603	26.0
75.66482	2.5
81.07050	3.1
83.36839	2.8
84.92016	2.6
87.04478	6.7
91.05527	3.7
99.50113	2.8
105.07040	3.7
116.55791	3.0
120.23820	2.4
150.28099	3.0
247.85823	2.7
251.04822	6.2
308.65091	2.9
327.07776	19.3
383.14139	13.2
439.20258	12.3
495.26474	17.1
551.32660	23.4
607.39154	13.4
656.76031	2.9
663.46045	100.0
664.46338	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	664.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
55.01873	5.2
55.05515	8.2
57.03446	7.9
60.05322	1.0
61.02910	2.5
65.03946	2.9
67.05507	23.8
68.05022	1.3
69.03433	11.0
69.07064	8.2
69.83356	4.0
71.01352	3.1
71.05007	3.8
73.02914	1.6
79.05492	17.0
80.05029	9.5
81.03419	19.0
81.07058	10.5
83.04987	15.7
83.08621	3.3
84.04523	1.2
85.02912	14.5
85.06540	1.2
88.59834	1.0
91.03965	1.0
91.05479	20.1
92.05824	1.9
93.07054	12.2
95.04975	28.9
95.08626	6.9
97.02891	13.8
97.05917	1.6
97.06538	23.4
98.06084	1.9
99.04470	5.1
103.05476	1.3
105.07036	7.3
107.04956	4.1
107.08595	3.9
109.02896	2.0
109.06503	2.9
109.10181	3.2
111.04440	2.2
111.08094	2.7
113.05970	1.2
115.05490	1.7
117.07040	5.6
119.08595	13.0
120.08887	1.3
121.06494	2.5
121.10149	3.2
121.42581	1.0
123.08035	3.2
125.09641	1.6
127.03906	3.7
129.05556	2.0
129.07001	4.2
131.03423	1.1
131.04958	1.0
131.08583	3.9
133.06465	1.6
133.10107	3.2
135.08055	3.1
135.11662	1.1
137.09668	6.2
141.07013	2.0
143.08531	2.9
145.06470	2.5
145.10127	3.7
147.04430	3.1
147.08075	2.9
147.11612	2.7
149.09686	2.1
155.08537	2.1
157.06516	2.1
157.10133	2.2
159.04472	1.0
159.08049	2.4
161.05946	2.7
163.03912	2.9
163.11200	2.6
164.07013	1.1
165.07002	2.3
165.09106	6.7
165.12823	1.2
167.03477	1.2
167.08565	2.8
169.06464	3.5
169.10188	1.3
171.08046	2.4
173.06001	4.1
173.09589	1.7
175.03868	2.4
175.07544	1.4
175.11191	2.5
179.08549	2.5
180.09303	1.3
180.67274	1.0
181.06468	4.7
181.10081	2.0
181.39648	1.2
183.08080	3.5
183.10257	1.6
185.05954	3.4
185.09636	2.2
187.03952	3.2
187.07568	4.1
188.08371	1.3
189.05467	1.9
189.09169	2.4
193.06653	1.2
193.10492	1.3
193.12190	6.9
195.08073	5.7
197.05957	3.8
197.09665	2.2
198.06721	1.4
199.03943	2.1
199.07579	4.2
200.04784	1.1
201.05484	3.3
201.09029	6.1
202.06226	1.1
203.36320	1.3
207.02824	1.7
207.08174	1.7
209.09637	2.6
210.07668	14.9
210.10469	2.4
211.07506	5.1
211.11372	1.7
211.13319	6.7
212.08398	1.7
213.05423	2.9
213.09122	5.4
215.03450	4.9
215.06984	8.7
215.10629	1.3
217.04974	3.1
217.08502	2.1
219.07988	2.1
221.09619	1.7
223.07559	4.2
223.11096	1.5
225.05492	1.7
225.09033	7.7
227.07036	3.3
227.10681	2.1
229.05023	1.6
229.08656	3.8
231.10257	1.3
236.08296	1.7
237.09035	2.5
238.09828	4.7
239.07114	1.8
239.10565	3.1
239.12471	5.4
240.07799	1.5
241.08546	13.4
242.09052	1.3
243.06461	2.4
243.10228	1.7
245.08153	1.2
247.07567	1.4
250.09851	1.4
251.10706	2.4
253.08609	3.7
253.12151	1.5
255.10002	1.8
255.12302	2.0
257.08170	1.1
257.13821	7.4
258.08688	1.4
259.06097	1.9
259.09668	7.9
263.10748	1.7
265.08664	1.6
265.12152	2.5
267.06534	1.4
267.10498	2.1
267.13766	9.0
267.16055	4.3
271.09726	2.0
281.15375	1.9
283.13174	2.3
285.07333	2.6
285.17142	5.7
287.09259	2.7
291.13739	2.8
293.11749	6.8
293.15036	1.3
295.09927	1.2
295.13153	2.3
297.11252	1.0
303.08810	1.8
309.14886	5.5
311.12766	17.9
319.13324	3.5
327.15875	9.4
337.14346	32.9
338.14645	3.2
344.68826	1.2
355.15411	100.0
356.15817	7.2
357.20599	1.9
373.16394	7.0
417.11801	1.3
431.24387	8.3
439.15820	1.4
447.23190	1.3
449.25354	10.3
467.26370	13.2
468.27036	1.6
499.19553	1.3
517.20367	1.4
647.44897	1.4
664.33075	2.2
665.27765	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.6
55.01872	6.8
55.05510	12.8
57.03428	18.5
59.04985	1.3
60.34928	1.1
61.02929	6.0
65.03934	2.4
67.05133	1.8
67.05500	36.1
69.03424	8.1
69.07060	8.8
69.34780	6.0
71.04980	6.4
73.02904	2.7
78.33028	0.9
79.05486	29.2
80.05014	12.0
80.05775	1.3
81.03413	100.0
81.07049	29.5
82.03747	2.2
82.07378	0.9
83.04971	18.5
83.08611	15.5
84.04488	1.6
85.02898	42.9
85.06546	1.7
88.00720	0.9
91.05476	95.3
92.05831	2.1
93.07037	34.0
95.04961	25.6
95.08597	25.3
97.02892	7.6
97.06530	15.7
97.10164	3.9
99.04473	1.8
103.05444	2.3
105.07028	25.7
107.04949	8.1
107.08588	6.4
109.06518	5.7
109.10152	16.0
111.04436	3.6
111.08066	8.9
113.06006	2.7
115.05446	1.8
117.07027	6.4
119.08570	99.2
120.08897	2.4
121.06510	6.1
121.10149	10.1
123.08073	3.4
123.11674	1.3
125.09648	2.0
127.04020	1.1
128.06218	1.3
129.07021	11.5
130.04958	2.5
131.08565	11.8
133.06491	2.5
133.10118	9.6
135.08044	2.8
135.11736	1.2
136.07535	1.1
137.09599	40.6
142.07811	1.8
144.10220	2.7
145.06508	1.5
145.10153	1.9
147.04376	1.8
147.08020	11.5
147.11681	12.2
149.09593	7.8
152.07001	2.0
157.10112	11.0
163.03899	3.1
163.11148	2.0
164.06996	1.3
165.09108	36.2
165.12738	2.4
166.09485	1.3
173.09608	1.7
175.11189	12.6
180.06505	1.5
183.10156	18.5
189.05757	1.1
193.12228	41.8
208.05847	1.1
209.09302	1.4
210.07611	24.1
211.13272	62.9
212.13623	2.7
215.07024	3.1
218.32167	1.1
221.11798	1.5
225.08922	2.0
226.07014	1.4
239.12744	29.8
240.13403	1.2
241.12177	1.8
257.13797	59.5
258.14230	2.9
259.09628	4.0
267.15924	21.4
268.16074	1.0
285.16937	60.2
286.17346	2.7
287.67969	1.1
293.11874	1.3
311.12891	3.5
327.15875	2.8
337.14410	3.1
339.19421	5.3
355.15326	13.8
357.20621	5.5
373.16248	1.8
405.22195	1.5
431.24313	24.1
432.24683	2.6
449.25323	31.2
450.25607	2.7
467.26382	67.7
468.26688	6.8
502.37134	3.9
508.09528	1.2
664.36279	5.5
665.27344	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	664.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.1
55.01867	11.2
55.05509	20.1
57.03442	14.6
57.07076	5.5
58.84317	2.0
61.83905	2.0
65.03943	4.1
67.05506	43.2
69.03437	5.6
69.07071	42.3
71.04991	7.3
71.08617	14.5
71.83656	1.9
73.02918	3.7
75.04484	3.3
77.03926	2.4
79.05492	50.6
81.03418	10.9
81.07061	40.8
83.01370	5.6
83.04979	16.6
83.08633	8.2
85.02915	7.3
85.06554	7.7
87.04462	2.5
89.06042	3.4
91.05486	56.5
91.06015	4.4
93.07045	48.8
95.04971	15.4
95.08610	28.8
96.08957	2.4
97.02878	5.6
97.06557	10.6
98.22623	7.5
99.04433	3.2
99.08089	13.5
103.05444	3.9
105.07031	37.3
107.04964	9.2
107.08598	25.5
109.06540	7.3
109.10143	14.4
111.04472	2.8
111.08105	4.9
115.05458	6.9
117.07018	39.0
118.07368	2.2
119.08583	27.4
121.06486	11.2
121.10141	19.4
123.08111	10.7
125.00035	2.7
125.09605	2.6
128.06227	6.8
129.05498	3.2
129.06995	23.0
131.08565	31.5
133.06497	6.0
133.10120	14.6
135.08022	16.1
135.11688	8.1
139.07559	2.0
139.11162	5.6
141.06990	13.2
141.12692	2.9
142.07780	2.7
143.08543	17.4
145.06528	3.6
145.10120	16.2
147.08034	4.3
147.11731	6.1
149.09637	5.7
151.07539	3.4
154.07858	2.4
155.08543	12.0
157.10141	13.5
159.08052	2.9
159.11679	9.3
161.09673	6.3
161.13322	3.6
163.14822	5.3
165.06996	2.6
167.08546	2.8
168.09299	2.3
169.08841	2.7
169.10056	12.2
171.11687	9.0
173.09663	4.4
173.13258	17.0
175.11259	3.1
181.10231	5.5
181.15919	8.3
183.11713	8.2
184.07379	6.9
185.13254	7.6
187.11234	8.1
189.12764	3.2
190.21687	2.0
191.14258	15.4
195.11691	3.9
199.11293	6.3
199.14850	3.2
201.12749	7.9
203.14278	3.8
209.15393	6.1
217.15942	2.4
219.13766	2.7
221.15359	3.8
228.98698	2.5
236.15053	2.0
237.14810	3.3
239.17857	3.3
255.15912	10.1
257.18762	2.6
265.19711	4.8
267.97760	2.3
283.20612	7.2
293.17432	6.1
301.21732	5.7
309.16898	9.8
311.18503	100.0
312.18869	9.5
375.25201	4.5
413.17853	3.0
493.27490	5.5
529.31506	20.9
601.21033	2.8
664.46539	4.3
665.27551	4.8
665.38458	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	664.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	9.5
57.03160	1.0
57.03437	15.0
57.06807	1.8
57.07077	31.8
58.06588	2.9
59.04997	4.3
59.07376	1.0
61.02923	5.8
63.84876	0.8
65.03929	2.3
66.31221	0.8
67.05505	82.1
68.05813	1.5
69.03406	1.0
69.07073	8.5
69.89985	3.0
71.04977	3.5
71.08634	22.1
73.02904	1.8
78.05171	0.8
79.05484	2.9
80.73203	0.8
81.03388	1.1
81.06587	1.2
81.07056	21.9
83.08618	13.8
85.02902	7.0
85.06529	3.4
85.09711	1.3
85.10178	12.7
87.04465	1.3
89.06038	1.5
91.03942	1.8
91.05477	5.8
93.07053	4.8
95.04903	1.0
95.08604	21.5
96.08959	1.1
97.02884	2.9
97.10184	4.0
98.23469	0.7
99.08115	1.2
99.08767	0.7
99.11768	1.0
104.46972	0.7
105.06976	1.1
106.77946	0.7
107.08598	2.8
109.10156	82.1
110.10488	1.9
111.08065	3.1
111.11723	0.9
112.24114	0.7
117.09092	0.9
119.08581	6.4
121.10160	0.8
123.08038	0.8
123.11702	2.8
129.07028	1.0
137.09671	3.7
137.10547	0.8
137.13242	1.3
141.16438	0.8
144.10193	2.8
148.93466	0.7
151.14854	0.8
155.10664	5.0
173.11736	22.6
184.07321	2.1
229.14346	100.0
230.14713	4.9
236.14958	2.8
239.23705	2.9
257.24734	2.2
292.71411	0.8
313.27347	85.0
314.27716	6.5
341.68124	0.8
421.93680	0.9
467.37320	56.4
468.37430	5.8
664.47778	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	665.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.01876	0.9
55.05507	1.2
57.03439	1.7
61.02933	4.6
61.39424	0.3
67.05511	2.1
69.03429	3.4
69.07061	1.3
70.25603	0.3
70.33113	0.8
71.01364	0.9
71.01738	0.3
71.04986	0.4
73.02926	3.0
75.04483	0.3
79.05494	4.7
79.49101	0.3
80.05814	0.4
80.60094	0.4
81.03423	3.0
81.07040	1.8
81.77145	0.3
83.01353	1.1
83.04992	1.6
85.02903	5.0
91.03947	2.7
91.05479	5.3
93.07028	3.1
95.04990	1.5
95.08617	0.5
95.58244	0.3
97.02895	4.3
97.06532	11.4
98.06858	0.6
99.04482	1.2
101.02403	1.7
103.03985	0.3
105.07063	1.1
107.04955	0.9
107.08578	3.0
107.51045	0.3
109.02890	1.2
109.06520	0.9
110.10441	0.4
111.04463	0.4
115.03942	0.6
115.05401	0.6
117.07014	3.4
119.08601	0.7
121.06461	0.4
121.10201	0.6
123.08058	0.4
127.03915	1.9
129.07076	0.3
131.08647	0.4
135.08051	5.3
135.11739	1.0
135.19872	0.3
137.09639	0.4
143.08559	0.5
145.10135	1.2
147.04457	0.4
161.06030	0.6
163.03940	1.1
163.07509	0.5
163.09947	0.3
163.11143	1.8
173.09708	0.5
175.07532	0.4
181.08641	0.4
189.09108	0.5
195.08104	0.4
199.07603	0.6
209.09720	0.4
211.07628	0.5
213.09082	0.7
241.08615	1.4
241.12250	0.7
243.08310	1.8
255.12312	0.7
258.70999	0.4
259.09860	2.1
260.09955	0.4
283.15662	0.8
285.15045	0.4
293.11652	0.4
303.07034	0.7
311.12619	2.0
313.14349	0.6
327.01959	0.3
327.15759	0.9
337.14462	1.3
338.14462	0.6
355.15378	6.5
356.15631	2.3
373.16483	2.1
374.16815	0.7
411.16379	0.6
426.76025	0.4
436.23703	0.4
439.15781	9.0
440.16138	0.5
467.18829	5.2
468.19543	0.6
468.26080	0.4
517.20129	0.7
549.47583	0.4
665.27765	100.0
666.28082	13.2
666.39398	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2775
Annotation	Alopecurone E
Peak:m/z	Relative Intensity
53.03944	0.8
55.01872	0.8
55.05515	0.6
57.03442	1.6
61.02932	3.2
67.05506	1.2
69.03430	2.2
69.50628	1.6
71.01347	0.4
71.04990	0.7
73.02920	3.2
73.62309	0.3
79.05486	2.9
79.23226	0.3
81.03407	2.0
81.07054	0.9
83.01340	0.4
83.04992	0.9
83.08627	0.3
84.42294	0.3
85.02904	4.3
87.31925	0.3
91.03967	1.6
91.05486	4.1
93.07023	2.2
95.04977	0.4
95.08604	0.4
97.02898	3.5
97.06528	3.0
98.23315	0.4
99.04464	0.7
101.02404	1.4
105.07032	0.7
106.22298	0.3
107.04965	0.8
107.08595	2.5
109.02882	0.5
109.06541	0.6
111.04478	0.4
115.05503	0.6
117.07001	3.3
119.08602	0.7
121.10201	0.7
123.08106	0.5
127.03905	1.4
133.10236	0.3
134.96979	0.3
135.08047	3.9
135.11700	0.7
145.10153	0.8
154.42336	0.3
163.07574	0.4
163.11188	1.6
185.04317	0.5
191.10738	0.4
209.11763	0.6
243.08557	1.5
255.12296	0.6
259.09842	0.6
277.10495	0.5
303.06894	0.5
327.15753	0.3
355.15509	1.3
356.15860	0.9
373.16516	0.4
439.15720	9.3
440.16364	0.4
445.20908	0.3
467.18958	4.9
468.19540	0.4
665.27747	100.0
666.28125	11.7
668.20740	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.01876	0.7
55.05516	0.8
57.03429	1.8
61.02935	3.6
67.05502	3.0
69.03426	2.6
69.07074	0.8
69.50349	1.2
71.01360	0.5
71.05000	0.7
73.02919	2.6
79.05502	2.9
81.03419	1.7
81.07058	1.9
81.07490	0.4
83.01376	0.3
83.04985	0.8
83.08608	0.5
85.02908	3.9
87.51620	0.3
91.03952	2.8
91.05479	1.9
92.75627	0.3
93.07047	3.3
95.04973	1.1
95.08608	0.5
97.02903	3.1
97.06538	0.6
97.10171	0.5
99.04478	0.8
101.02402	1.2
105.07052	0.9
107.04960	0.7
107.08596	2.7
109.02911	1.0
109.06497	0.4
113.06042	0.7
115.03943	0.4
117.07031	0.6
119.08628	0.9
120.45969	0.3
121.06544	0.3
121.10168	0.8
123.08094	0.6
127.03951	1.5
129.06970	0.3
131.08537	0.5
133.10197	0.4
135.11700	3.7
145.05031	0.3
145.10165	1.5
149.09732	0.5
163.11186	2.4
181.12222	0.7
185.04202	0.4
221.11552	1.0
243.08501	1.8
249.10927	0.4
277.14230	0.3
283.15378	0.7
326.31915	0.3
346.89706	0.3
373.55634	0.3
439.19498	6.4
440.19720	0.6
467.18918	6.9
468.19284	0.7
665.31415	100.0
666.31805	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	666.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.1
55.05514	15.3
57.03442	9.2
57.07082	4.6
57.17719	2.0
61.02933	38.5
65.03943	2.8
67.05508	66.9
69.03437	4.1
69.07071	10.3
69.56858	10.4
71.05001	5.3
71.11379	2.8
73.02919	13.2
79.05498	57.4
80.51956	2.1
81.03406	3.1
81.07060	67.7
83.04987	3.5
83.08620	6.5
85.02908	41.6
85.06563	8.1
89.52560	2.4
91.03963	37.0
91.05479	29.8
93.07053	65.1
95.04973	4.1
95.08609	49.6
97.02900	23.8
97.06519	5.1
97.10170	2.2
99.04426	2.5
99.08100	6.7
99.26110	2.0
103.03997	2.2
104.34217	2.1
105.07031	22.5
107.08595	40.2
109.06516	5.5
109.10162	33.4
111.08109	4.1
113.09638	4.1
117.07013	12.4
119.08596	22.2
120.08945	3.2
121.06541	3.1
121.10141	52.6
123.08106	4.2
123.11716	17.7
125.09624	2.1
127.03893	13.8
131.08566	28.5
133.10143	29.0
135.08124	2.9
135.11694	56.3
137.09624	5.1
137.13246	6.3
145.04996	15.7
145.10152	25.7
147.11713	17.6
149.09607	5.4
149.13264	32.4
151.11148	3.5
157.10184	4.1
159.11702	26.0
161.13272	6.3
163.06046	24.5
163.11208	4.3
167.10690	2.8
173.13258	18.2
177.12741	3.3
187.14877	6.0
189.16365	3.2
205.15901	2.9
205.19432	10.9
215.17964	83.5
216.18344	5.3
221.15466	2.9
233.19000	100.0
234.19289	6.0
251.19971	6.5
267.31021	2.2
267.87695	2.1
307.22702	29.8
325.23752	33.6
326.24203	2.5
336.06265	2.3
469.28012	5.8
666.35571	5.0
667.32416	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	666.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
54.63599	1.6
55.01858	2.8
55.05308	1.4
55.05517	14.5
57.03438	10.9
57.07066	6.0
58.54349	1.6
61.02928	37.0
65.03936	2.5
67.05505	76.3
69.03436	7.7
69.07072	12.5
69.18052	13.3
71.04980	5.3
73.02920	13.9
73.06509	1.6
79.05494	65.5
81.03395	5.3
81.07056	78.8
82.07384	2.1
83.04985	4.0
83.08628	7.6
85.02905	43.2
85.06552	9.8
91.03954	35.9
91.05476	36.5
93.07042	83.0
94.07379	2.0
95.04957	6.0
95.08611	56.4
96.08887	2.0
97.02883	20.4
97.06528	9.3
97.10160	2.8
98.23378	2.6
99.04455	3.5
99.08075	8.6
105.07029	33.3
107.08591	43.6
108.08876	1.9
109.02876	2.4
109.06551	3.8
109.10156	34.1
111.08066	5.5
113.09634	5.7
117.07027	15.8
119.08577	19.7
121.06445	2.5
121.10148	52.6
121.11025	3.0
122.10482	2.5
123.08079	5.5
123.11697	19.7
125.09617	5.6
127.03926	11.9
131.08557	30.5
133.10121	30.3
134.10408	2.2
135.08041	3.8
135.11691	54.8
137.09598	7.7
137.13239	6.7
139.11223	3.0
143.08597	2.9
145.04967	13.8
145.10112	26.2
145.69933	2.1
146.10428	2.1
147.11694	14.5
149.09619	5.3
149.13258	33.7
150.13574	1.9
151.07535	2.1
151.11179	4.6
157.10115	2.2
159.11684	27.8
161.13281	4.4
163.06007	24.0
163.11172	8.3
165.09181	1.7
167.10649	3.5
171.11667	1.9
173.13274	19.2
177.12741	4.3
181.12204	2.2
187.14806	6.5
189.12721	2.0
189.16394	2.7
191.14273	2.7
191.17966	2.1
192.47565	1.5
205.15932	2.1
205.19495	9.4
215.17950	85.3
216.18347	3.7
221.15431	3.3
222.15623	2.3
233.18996	100.0
234.19330	5.2
235.20467	2.0
251.20111	5.5
307.22687	31.3
325.23730	35.0
452.77048	2.1
469.27707	5.6
666.32361	5.0
666.44391	2.2
667.33282	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	666.4336
Annotation	PAz-PC
Peak:m/z	Relative Intensity
51.14235	0.2
53.03938	0.3
55.05510	0.6
55.36505	0.2
56.05029	0.8
57.07064	0.2
57.44456	0.2
58.06621	0.6
59.36850	0.2
60.08165	5.6
62.99656	0.2
67.05492	0.9
69.01806	1.1
69.02229	1.0
69.07077	0.3
71.07376	3.8
71.26956	0.2
79.05483	0.4
81.07059	1.0
83.08630	0.3
86.09705	29.0
87.10029	0.7
91.05465	0.5
93.07043	0.7
95.04964	0.4
95.08610	0.5
96.84703	0.2
97.10201	0.3
98.98466	2.9
104.10744	2.5
105.50726	0.2
107.08585	0.3
109.10166	0.4
111.31032	0.2
117.07010	0.3
119.08570	0.4
125.00005	19.9
131.08586	0.4
131.92914	0.2
133.10106	0.3
134.10356	0.2
149.09723	0.2
160.06497	0.2
165.57307	0.2
184.07343	100.0
185.07716	1.8
187.03865	0.2
209.65666	0.2
273.59702	0.2
666.43555	5.6
667.30841	0.3
667.42535	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.01845	0.5
55.05479	1.3
56.05029	0.4
57.03445	4.4
57.07078	5.9
58.02358	0.3
58.06602	34.6
58.07012	1.1
59.06911	0.4
59.07383	8.4
59.23827	0.3
59.88939	0.3
60.08165	9.1
67.05505	3.7
69.07040	1.4
71.08635	3.2
73.02886	0.5
75.04484	2.8
79.05508	2.1
81.03422	5.7
81.07062	3.4
83.04945	0.5
83.08620	2.1
84.08130	0.7
85.02912	2.4
85.10174	1.5
86.09709	1.8
87.04475	3.3
91.05467	1.5
92.79408	0.4
93.05464	0.4
93.07007	1.4
95.04959	2.1
95.08598	2.5
97.06518	0.8
97.10144	1.0
100.11246	0.7
102.05536	0.6
103.03908	0.8
105.05473	0.7
105.07030	1.6
105.30498	0.3
107.04932	0.6
107.08559	0.6
109.06490	0.4
109.10123	1.2
113.05995	1.7
116.10663	0.4
117.06953	0.4
119.08543	0.9
121.10131	0.9
123.11697	0.8
124.11913	0.3
124.99967	1.4
129.06978	0.7
130.08711	0.6
131.06989	1.4
131.08556	0.7
133.10092	0.4
144.10205	14.7
145.10486	0.3
147.07979	0.5
147.11671	0.5
149.09631	0.4
157.10074	0.4
162.11244	5.6
171.11702	0.3
184.07350	8.1
193.12177	0.5
200.12885	0.7
218.13927	0.7
236.14922	100.0
237.12985	0.6
237.15273	3.9
239.23915	0.3
288.08252	0.4
313.27316	1.1
335.99298	0.3
363.21457	0.4
369.29852	0.6
377.23599	0.4
384.23590	0.4
398.07080	0.3
402.25104	0.5
410.25427	4.2
411.25784	0.5
412.37897	0.8
428.26437	7.7
429.26791	0.5
456.36859	6.3
457.37079	0.5
474.37878	17.4
475.38367	1.7
501.90527	0.4
554.33899	0.3
589.26343	0.4
630.97815	0.4
666.49371	96.4
667.26984	0.6
667.49780	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	666.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.3
56.99570	0.7
57.03435	3.4
57.07074	3.8
57.49949	0.7
58.06601	23.5
59.07378	6.6
60.08163	8.0
66.59903	0.8
67.05515	3.7
69.07075	2.4
71.08630	3.7
71.21716	0.6
75.04487	1.3
79.05521	1.7
80.37465	0.7
81.03406	4.6
81.07059	3.8
83.04995	0.9
83.08634	2.0
84.08167	0.9
85.02915	1.6
85.10202	2.6
87.04481	2.8
91.05511	3.0
92.79414	1.0
93.07069	1.8
95.04974	1.1
95.08614	2.6
97.06604	0.9
97.10221	0.9
100.11241	0.7
102.05527	0.7
105.07059	2.5
107.08643	1.5
109.10188	1.2
113.06021	1.0
119.08621	0.9
121.10178	1.4
123.11707	1.3
123.33206	0.6
129.07040	0.8
131.07033	1.0
144.10178	11.8
162.11273	4.6
172.79054	0.8
181.90689	0.7
204.51227	0.8
217.23061	0.7
218.13893	1.1
236.14926	79.7
237.15344	2.5
253.17075	0.8
273.18692	0.9
291.19666	2.7
313.27554	1.8
316.72479	0.7
341.26865	2.6
393.22867	1.8
410.25497	3.7
428.26434	8.2
456.36774	5.4
457.37451	0.9
474.37906	19.8
475.38062	1.0
520.12982	0.7
619.79626	0.9
642.79364	0.9
666.49359	100.0
667.49847	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	666.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.3
53.03949	0.4
55.01868	0.6
55.05513	1.7
56.05053	0.4
57.03435	4.5
57.07075	4.5
58.06598	36.6
59.04994	0.4
59.06929	0.6
59.07381	10.7
60.07704	0.4
60.08165	9.2
60.86271	0.2
67.05506	4.4
68.05846	0.2
69.07069	1.6
71.04990	0.4
71.08634	2.9
72.60083	0.2
73.02930	0.8
75.04475	2.9
79.05497	2.5
81.03431	0.7
81.07056	3.7
83.04970	1.5
83.08642	1.2
84.08141	1.5
85.02911	2.7
85.10185	1.3
86.09712	0.3
87.04470	3.7
87.04979	0.4
91.05480	3.4
92.79430	0.2
93.05476	0.3
93.07060	1.8
93.23580	0.3
95.04980	0.9
95.08601	2.2
97.06527	0.7
97.10179	0.8
100.11288	0.5
102.05544	1.2
103.03955	0.7
103.70876	0.3
104.55802	0.3
105.05508	0.7
105.07024	2.1
107.08610	0.5
109.07296	0.2
109.10173	1.2
109.58215	0.2
110.10500	0.2
111.08092	0.3
113.05968	1.3
119.08576	1.3
121.10165	0.3
123.11714	0.3
129.07025	0.4
130.08656	1.1
131.07030	1.6
131.08607	0.5
133.10161	0.9
144.10190	15.0
145.10490	0.5
147.11673	0.6
157.10095	0.4
159.06616	0.6
162.11253	5.1
183.95299	0.2
187.30046	0.2
200.12927	0.6
218.13899	1.0
222.13295	0.3
229.14407	0.4
230.14661	0.4
236.14911	90.4
237.15244	3.3
283.93591	0.3
292.26337	0.3
313.27289	1.1
323.18729	0.3
366.26120	0.3
369.30029	0.4
410.25351	4.3
411.25516	0.5
412.37857	0.9
428.26437	9.4
429.27014	0.8
456.36838	5.8
457.37146	0.6
469.38107	0.4
474.37842	11.9
475.38257	1.3
666.49329	100.0
667.49713	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	666.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	1.1
55.05483	1.3
56.04995	0.4
57.03437	4.2
57.07076	5.3
58.06601	35.2
58.07020	1.0
59.04975	0.4
59.07384	10.4
60.08165	8.8
65.03915	0.5
67.05511	4.3
68.99901	3.7
69.03416	0.4
69.07067	2.0
71.08637	3.3
73.02875	0.7
75.04479	2.7
76.02743	0.4
79.05502	3.1
81.03392	1.6
81.07059	4.2
82.07327	0.4
83.04942	1.3
83.08590	1.4
84.08106	1.5
85.02906	2.7
85.10157	1.5
87.04462	3.3
91.05478	3.6
92.79372	0.5
93.05479	0.6
93.07052	1.8
95.04950	1.0
95.08616	3.6
97.06547	0.6
97.10146	0.9
100.11260	1.0
102.05521	1.2
103.03928	0.7
105.05489	0.5
105.07005	2.3
107.04906	0.9
107.08553	0.6
109.10117	1.0
113.05976	1.1
117.07003	0.5
119.08556	1.8
121.10094	1.1
123.11683	0.6
130.08591	1.1
131.07013	1.4
131.08533	0.8
133.10106	0.9
140.40538	0.4
144.10205	16.6
145.10315	0.4
157.10153	0.4
162.11243	5.8
190.14236	0.4
200.12775	1.1
218.13884	1.3
236.14925	100.0
237.15271	3.8
313.27420	1.1
342.35593	0.4
410.25314	4.2
412.37930	0.6
428.26431	7.4
429.26657	0.6
437.89682	0.4
441.36060	0.4
456.36792	6.3
457.37189	1.0
474.37946	12.4
475.38245	1.3
517.18732	0.4
603.65900	0.4
625.24170	0.4
666.49377	81.7
667.27014	0.7
667.49811	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	666.53
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29667	1.2
53.03941	2.2
55.01870	2.7
55.05512	11.1
57.03434	11.4
57.06797	2.2
57.07077	39.3
58.54482	1.6
67.05510	24.1
69.05143	3.4
69.05544	13.1
69.07078	14.6
70.02767	1.3
71.04985	3.2
71.08634	42.3
76.84056	1.3
77.14935	1.5
79.05074	1.9
79.05494	20.5
79.78609	1.4
81.03416	3.4
81.07059	24.3
82.82278	1.2
83.04986	5.3
83.08623	12.0
85.06540	2.7
85.10176	15.2
89.06046	3.2
91.05482	35.1
93.07046	17.6
95.04969	5.4
95.08601	25.8
97.06532	5.9
97.10156	4.8
99.08106	10.4
103.05499	3.0
105.07032	16.0
107.08596	5.7
109.06531	2.2
109.09074	1.6
109.10181	10.9
115.05470	5.0
117.07022	31.5
119.08584	10.3
121.06504	3.7
121.10124	5.4
123.08081	5.3
123.11689	3.0
128.06235	6.1
129.05515	2.2
129.06999	19.6
131.08578	19.2
133.10118	4.2
135.08052	7.8
135.11662	1.9
137.13239	1.9
139.11194	5.6
141.06966	12.0
141.12779	3.8
142.07726	2.1
143.08557	12.8
145.06483	1.6
145.10115	8.6
147.08009	3.1
149.09642	2.9
154.07770	2.1
155.08572	11.4
157.10126	11.5
159.11705	8.1
161.09601	3.4
167.08571	5.0
168.09245	1.8
169.10120	13.8
171.11728	6.6
173.09569	2.1
173.13258	4.1
175.11172	2.4
181.10136	6.3
183.11652	10.0
185.13297	6.9
187.11205	8.9
195.11751	4.3
199.11255	2.9
199.14841	3.7
201.12653	5.7
203.14264	4.8
217.15889	2.6
219.13754	2.5
239.17909	3.5
239.23543	3.2
241.19484	2.3
257.24692	4.8
265.19604	4.1
275.16400	1.8
283.20578	9.7
293.17328	6.6
301.21576	7.7
306.90195	1.5
313.27362	100.0
314.27707	6.2
341.27026	1.7
375.25232	3.6
531.40277	18.4
613.48120	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	667.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51359	0.8
52.35367	0.7
53.03941	1.9
55.05502	1.3
58.34218	0.7
60.14347	0.8
67.05499	3.1
69.36898	1.4
69.37193	5.9
79.05484	3.6
81.03417	1.1
81.07058	3.5
83.08638	1.3
86.86224	0.9
91.05465	2.0
93.07047	2.3
94.06564	1.5
95.04971	3.6
95.08611	2.1
97.06511	1.2
98.22678	1.4
103.05480	0.8
104.04984	5.1
105.04513	1.0
105.07037	2.6
106.06552	2.5
107.08580	1.4
117.07064	0.9
118.06529	1.7
119.08588	1.3
121.10130	1.2
123.08032	1.0
124.07590	0.8
129.07030	1.0
131.08578	1.1
132.04471	1.4
133.10103	0.9
134.06006	7.4
135.08040	0.9
141.06967	1.1
143.08531	1.4
144.08104	1.1
145.10106	1.5
147.08017	0.9
157.10115	1.0
159.11659	1.0
160.03912	2.2
164.09987	0.8
171.17728	0.9
178.05011	9.7
195.09200	1.3
206.08453	1.7
207.09158	1.8
209.10782	1.2
210.11162	0.9
211.08711	2.0
219.09183	2.5
220.09973	1.3
221.10719	3.1
222.15773	1.0
223.08698	3.3
224.09436	1.0
225.10228	3.4
233.07022	1.2
234.07802	1.1
235.08774	3.9
236.09375	1.5
237.10223	5.9
238.10916	1.6
239.08026	1.2
239.11787	1.5
247.08749	2.5
248.09526	2.6
249.10265	16.1
250.10864	3.5
251.08165	3.0
251.11797	3.8
253.09645	2.1
261.10294	1.8
263.08197	2.2
264.08859	0.9
265.09769	2.0
275.08115	1.7
277.09708	4.3
281.09207	1.0
283.11017	1.1
287.11807	1.7
288.12170	1.1
289.09467	1.5
293.09164	1.2
295.10898	1.7
296.11926	1.1
298.13184	1.5
302.12808	1.2
303.07452	1.0
305.09262	1.6
310.13248	0.9
311.10593	1.2
312.11414	1.6
314.12805	1.3
316.10596	1.0
322.09869	1.0
323.10760	1.7
324.11270	2.5
325.12231	1.3
326.12946	2.9
330.12393	1.0
336.11319	2.0
337.12012	1.6
338.09146	1.5
338.12732	5.0
339.10181	2.1
340.10974	1.1
340.14615	1.4
342.12305	2.1
348.95163	0.8
350.09003	1.3
350.13028	1.2
351.10056	1.7
352.10812	4.2
353.11768	2.1
354.12473	1.4
356.13953	0.9
358.11954	1.1
363.09970	1.4
365.11542	1.5
366.12308	4.8
367.08835	1.0
367.13104	1.3
368.13937	1.6
370.11929	1.8
371.12216	0.9
379.09378	1.3
380.10303	2.7
381.10730	1.2
382.11902	1.1
385.14392	1.1
394.12018	4.7
395.12964	2.1
396.13272	1.4
403.15616	1.4
404.16382	1.6
410.11111	1.4
412.13058	1.2
413.13690	1.3
414.15109	1.1
416.16531	1.1
417.13165	1.7
419.14740	2.5
422.11203	5.1
423.11926	1.3
424.12775	2.2
425.13593	1.7
426.10904	2.3
427.15341	3.0
428.16739	1.2
429.17609	1.0
430.14334	1.2
431.14969	1.7
432.16083	1.8
433.16476	2.9
439.15503	1.7
440.12225	1.1
441.17551	4.0
442.14099	1.1
443.14597	2.0
444.15790	1.8
445.16379	1.6
450.11035	3.0
453.13376	1.4
454.14127	2.7
455.15094	2.9
457.16528	2.5
459.18134	2.8
468.16489	1.3
469.16983	3.9
470.17023	1.4
471.18439	2.7
472.15195	1.6
473.15710	1.8
475.17734	1.3
482.13522	4.8
483.18912	1.9
484.15338	1.5
485.15631	1.9
485.20462	1.2
487.17670	3.6
488.17865	1.3
489.19037	1.1
496.15594	1.7
497.16147	3.3
498.16580	2.3
499.17572	3.1
500.18335	2.1
501.19614	4.1
503.17429	1.0
510.12625	1.9
511.18246	6.0
512.18011	3.0
513.18939	3.3
514.16248	1.2
515.17188	3.4
516.17767	2.5
518.16028	1.0
528.13971	1.1
529.18683	6.5
530.19019	1.8
533.18683	1.2
539.16925	4.7
541.18677	2.8
542.15430	1.4
543.16650	3.1
545.21796	3.0
547.19647	2.4
548.19904	1.8
555.20361	4.1
557.18079	7.1
558.18860	2.3
559.18689	0.9
571.19354	2.8
573.21344	22.1
574.21783	2.0
575.19232	3.6
579.22424	1.0
585.17426	4.3
589.20868	9.8
590.21082	2.5
599.19232	28.4
600.19647	3.6
605.23499	1.7
607.21790	3.9
617.20288	100.0
618.20532	15.9
621.23334	1.5
631.21765	16.5
632.21796	2.6
635.22144	1.6
649.22894	41.9
650.23175	7.3
666.04333	1.0
666.44397	1.0
667.23956	40.8
667.41492	1.8
668.24408	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	667.276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.9
57.07082	2.3
58.06604	3.5
59.07402	1.8
67.05498	5.1
69.07063	4.2
71.08611	3.2
76.03902	1.6
78.95007	1.5
79.05500	3.5
81.07059	6.5
83.08616	2.0
84.45982	1.3
88.28913	1.4
91.05490	3.8
93.07036	3.9
95.08627	3.2
97.10185	2.0
98.22633	3.6
105.07018	2.9
107.04960	1.9
107.08596	1.5
107.17908	1.3
109.10152	2.2
115.05436	1.6
119.08580	2.0
121.10114	2.0
144.10176	1.7
155.48590	1.4
195.11623	1.7
225.13828	2.5
227.12822	1.9
228.85884	1.5
236.14993	8.1
263.08136	1.7
277.14526	1.6
311.25824	4.7
312.26202	2.2
312.29654	1.7
313.27374	2.2
363.16269	2.8
375.16339	2.1
377.17639	7.3
378.18439	2.0
380.13593	1.7
390.18231	1.5
391.19376	9.5
391.23709	1.7
392.19739	6.8
405.20840	6.3
406.21259	3.9
407.22278	8.9
414.24442	1.8
415.19592	1.7
419.18121	7.4
420.19165	2.3
421.16354	1.8
433.20102	2.9
434.20908	4.4
435.22046	9.1
436.22174	2.4
446.21210	1.7
447.18027	3.3
451.21246	7.1
459.18134	4.6
462.23889	2.3
465.23413	2.1
473.19812	3.9
474.20581	3.6
477.19254	2.4
479.20755	33.1
480.21094	3.5
489.23184	2.4
493.22171	3.4
494.22934	4.8
501.19147	3.6
502.19867	1.9
505.18665	6.1
506.19156	2.3
515.21002	4.7
516.21582	3.5
517.22351	74.6
518.22607	9.6
521.25568	2.2
547.23199	3.0
549.24963	80.2
550.25299	9.2
565.24481	2.2
575.22583	10.5
580.26660	2.6
588.39233	2.0
593.23914	19.2
603.22577	2.0
607.25610	8.7
608.26080	18.7
617.24445	8.6
635.24933	100.0
636.25342	15.5
649.26434	5.2
666.49255	7.7
667.27472	51.7
667.49628	4.2
668.27594	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	667.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.5
56.68236	1.7
57.03423	2.4
57.07070	4.3
58.06608	10.5
59.07379	3.0
60.08171	3.6
67.05501	6.3
71.08643	3.1
71.29593	2.0
79.05491	5.6
81.03410	2.3
81.07067	4.9
83.08601	3.1
91.05476	5.0
93.07060	3.0
95.08588	3.3
97.06536	1.5
105.07056	4.3
107.08608	3.5
117.07049	6.6
119.08580	3.5
133.10201	2.0
144.10202	4.5
147.11737	1.9
151.11116	2.1
160.04173	1.7
169.10107	1.7
227.12726	2.8
232.19885	1.7
236.14909	36.2
237.15320	3.9
249.10121	2.2
340.14627	2.2
356.14539	2.1
361.11050	1.7
375.16489	1.9
376.17041	3.7
385.14325	2.2
388.17194	3.1
389.17758	2.3
390.18552	5.5
391.19019	10.4
396.13605	3.4
398.15216	4.1
403.19379	3.1
405.20996	12.1
410.11398	2.9
410.18362	1.9
418.21558	2.4
419.22702	8.6
420.23016	2.6
425.13760	2.6
428.26501	3.5
433.20145	6.5
435.18149	5.9
436.18640	2.4
445.20761	2.1
447.22000	4.8
449.19879	6.6
450.20364	3.1
461.19992	6.2
462.24496	2.5
463.21439	7.5
465.22766	8.9
473.19617	4.4
474.20123	2.9
474.38068	5.6
477.18576	2.3
479.20929	4.3
487.21051	3.0
488.18121	3.0
490.19388	2.1
493.22189	40.4
494.22766	5.0
501.19318	7.9
505.18616	2.5
505.22504	3.3
515.20752	8.7
516.21576	4.3
519.23712	5.5
521.25549	11.9
533.21600	3.8
537.25226	2.5
547.23151	4.5
551.27100	12.5
552.27173	4.1
565.24451	33.7
566.24847	4.8
575.22888	13.4
579.25824	19.1
580.26819	100.0
581.27045	14.8
589.24738	2.3
607.25482	57.3
608.25452	10.1
617.23981	2.1
629.76056	2.2
635.25092	40.9
636.25208	7.4
639.27930	10.5
649.26862	11.1
666.49506	17.7
667.27606	76.7
667.50165	17.9
668.27649	14.0
686.92572	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	667.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.5
57.03432	3.7
57.07069	5.1
58.06598	8.0
59.07384	3.2
60.08161	4.4
60.43554	1.6
62.23661	1.5
67.05516	10.3
69.07060	4.1
71.07368	1.7
71.08640	4.8
71.28683	2.0
71.74831	1.4
79.05503	8.3
81.03423	4.1
81.07079	8.9
81.89994	1.4
83.04972	1.7
83.08618	3.3
85.10188	1.7
86.09721	11.7
91.05499	7.5
93.07048	6.0
94.06577	3.9
95.05005	2.2
95.08613	6.9
97.06512	2.0
98.98451	2.0
105.07021	4.6
107.04961	2.4
107.08598	4.9
109.06567	2.1
109.10149	3.0
117.07043	2.1
119.08603	4.7
121.10179	4.0
124.99997	9.0
129.07027	3.1
131.08598	3.8
134.62723	1.6
135.08092	1.5
138.05487	2.4
142.39388	1.3
144.10205	4.1
145.10172	3.3
147.11702	2.2
161.13225	1.4
163.03906	2.0
180.47021	1.5
181.10146	1.9
184.07367	43.7
185.07655	3.0
204.06642	2.4
207.09184	1.5
208.09990	1.8
209.10860	2.3
221.10655	2.6
223.12399	2.5
225.10098	2.0
235.08687	2.9
236.14954	24.6
237.10211	3.1
237.15280	2.0
239.11874	2.0
249.10257	5.3
251.11914	3.6
263.08215	1.7
277.09702	2.5
313.27313	2.4
313.74185	1.5
338.12869	1.8
355.15503	1.7
403.19388	2.0
415.15448	2.3
416.16736	2.2
425.14078	1.7
429.17032	2.2
430.17947	1.7
431.18762	2.8
441.17447	1.6
445.20587	2.0
446.21008	1.8
461.19595	3.0
468.15634	2.0
473.19434	5.8
474.37823	5.5
475.37903	2.4
489.19101	2.3
501.19342	13.2
502.19315	2.1
515.20618	2.9
529.18848	2.5
543.20160	2.8
547.23157	6.2
561.21295	3.1
569.38147	4.2
575.22913	100.0
576.22955	11.1
599.18927	2.5
603.22113	11.0
617.21130	2.0
635.24963	64.6
636.25159	7.9
666.50000	14.4
667.40320	4.6
667.50818	9.8
668.47034	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	667.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01868	1.0
55.05511	1.0
57.03439	2.7
61.02925	4.5
67.05502	2.4
67.54757	0.2
69.03428	3.3
69.07079	1.1
71.01353	0.7
71.04988	0.7
71.20396	0.2
71.30930	0.3
73.02911	2.6
79.05489	3.9
81.03412	3.5
81.07050	2.0
83.01327	0.4
83.04984	1.3
83.08646	0.7
85.02905	4.7
86.41052	0.3
91.03960	2.7
91.05484	5.2
91.06021	0.4
93.07036	2.1
95.04972	1.7
95.08628	1.2
97.02885	4.1
97.06527	7.9
97.10181	0.4
98.03263	0.2
98.06861	0.9
99.04456	0.8
101.02377	1.7
103.03999	0.3
103.05468	0.2
105.07037	1.1
107.04941	0.5
107.08590	2.1
109.02883	0.7
109.06526	0.5
109.10179	0.7
111.04410	0.4
111.08078	0.4
115.03913	0.3
115.05479	0.4
117.07018	3.3
119.08576	1.8
121.06647	0.2
121.10181	0.4
123.08081	0.3
126.95181	0.2
127.03898	1.2
129.07021	0.6
131.08594	0.7
133.10191	0.5
135.04358	0.4
135.08043	3.9
137.06082	0.3
137.09677	0.3
145.04878	0.3
147.08102	0.5
147.11737	0.7
157.10168	0.7
163.03928	0.8
163.07539	0.3
163.11192	0.4
163.83678	0.2
163.85004	0.3
165.09108	0.4
171.11842	0.3
173.09674	0.3
173.39078	0.2
175.11195	0.5
179.08479	0.3
185.04279	0.3
185.06078	0.3
186.06821	0.3
187.07529	0.4
189.09152	0.4
193.12286	0.7
195.08069	0.3
196.08414	0.3
196.11812	0.2
198.07648	0.2
199.07590	0.5
209.11665	0.3
210.07542	0.3
211.07672	0.5
211.13272	0.6
212.08078	0.3
213.09047	0.4
227.12813	0.5
241.08647	0.8
243.08414	1.4
251.12605	0.8
255.12357	0.8
259.09717	1.4
260.09854	0.3
277.10690	0.3
283.15765	0.3
287.12778	0.3
303.07013	0.7
307.15170	0.3
309.14822	0.4
311.12799	0.7
312.13263	0.5
313.14120	0.6
327.15906	0.6
328.16022	0.3
331.15521	0.3
337.14343	1.7
338.14755	0.8
355.15430	3.9
356.15707	2.7
373.16467	1.1
374.16705	0.5
439.15741	6.9
440.16220	0.5
441.17166	0.9
453.24640	0.5
467.18845	0.7
469.20343	3.7
470.21036	0.4
499.19727	0.3
505.23837	0.4
518.21503	0.3
535.21240	0.3
667.29272	100.0
668.29645	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	667.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01868	1.0
55.05511	1.0
57.03439	2.7
61.02925	4.5
67.05502	2.4
67.54757	0.2
69.03428	3.3
69.07079	1.1
71.01353	0.7
71.04988	0.7
71.20396	0.2
71.30930	0.3
73.02911	2.6
79.05489	3.9
81.03412	3.5
81.07050	2.0
83.01327	0.4
83.04984	1.3
83.08646	0.7
85.02905	4.7
86.41052	0.3
91.03960	2.7
91.05484	5.2
91.06021	0.4
93.07036	2.1
95.04972	1.7
95.08628	1.2
97.02885	4.1
97.06527	7.9
97.10181	0.4
98.03263	0.2
98.06861	0.9
99.04456	0.8
101.02377	1.7
103.03999	0.3
103.05468	0.2
105.07037	1.1
107.04941	0.5
107.08590	2.1
109.02883	0.7
109.06526	0.5
109.10179	0.7
111.04410	0.4
111.08078	0.4
115.03913	0.3
115.05479	0.4
117.07018	3.3
119.08576	1.8
121.06647	0.2
121.10181	0.4
123.08081	0.3
126.95181	0.2
127.03898	1.2
129.07021	0.6
131.08594	0.7
133.10191	0.5
135.04358	0.4
135.08043	3.9
137.06082	0.3
137.09677	0.3
145.04878	0.3
147.08102	0.5
147.11737	0.7
157.10168	0.7
163.03928	0.8
163.07539	0.3
163.11192	0.4
163.83678	0.2
163.85004	0.3
165.09108	0.4
171.11842	0.3
173.09674	0.3
173.39078	0.2
175.11195	0.5
179.08479	0.3
185.04279	0.3
185.06078	0.3
186.06821	0.3
187.07529	0.4
189.09152	0.4
193.12286	0.7
195.08069	0.3
196.08414	0.3
196.11812	0.2
198.07648	0.2
199.07590	0.5
209.11665	0.3
210.07542	0.3
211.07672	0.5
211.13272	0.6
212.08078	0.3
213.09047	0.4
227.12813	0.5
241.08647	0.8
243.08414	1.4
251.12605	0.8
255.12357	0.8
259.09717	1.4
260.09854	0.3
277.10690	0.3
283.15765	0.3
287.12778	0.3
303.07013	0.7
307.15170	0.3
309.14822	0.4
311.12799	0.7
312.13263	0.5
313.14120	0.6
327.15906	0.6
328.16022	0.3
331.15521	0.3
337.14343	1.7
338.14755	0.8
355.15430	3.9
356.15707	2.7
373.16467	1.1
374.16705	0.5
439.15741	6.9
440.16220	0.5
441.17166	0.9
453.24640	0.5
467.18845	0.7
469.20343	3.7
470.21036	0.4
499.19727	0.3
505.23837	0.4
518.21503	0.3
535.21240	0.3
667.29272	100.0
668.29645	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	667.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72616	0.4
55.01867	1.4
55.05507	1.0
57.03438	1.9
61.02927	3.5
64.17489	0.4
67.05503	2.7
69.03426	3.3
69.07066	0.5
69.14768	2.9
73.02917	2.3
79.05489	4.8
79.77848	0.4
80.05850	0.5
81.03432	2.8
81.07061	1.4
83.04984	2.0
83.08624	1.0
85.02900	6.0
91.03970	2.8
91.05479	5.2
93.07040	2.7
95.04966	1.7
95.08610	1.2
97.02893	4.7
97.06532	7.2
98.06879	1.1
99.04486	0.8
101.02397	1.6
101.81089	0.5
105.07063	1.3
107.05000	0.6
107.08589	2.7
109.02911	1.0
109.06509	0.4
109.10159	0.7
111.04482	0.9
115.05446	0.7
117.07008	4.1
119.08618	1.4
121.10134	0.7
123.08034	0.4
127.03928	1.3
129.07100	0.6
131.08629	0.6
135.08057	4.0
135.11728	0.5
137.09648	0.6
145.10129	0.7
147.11713	0.7
152.07045	0.5
157.10153	1.0
163.03923	0.7
175.11247	0.6
175.87245	0.4
193.12344	0.6
194.11778	0.6
203.05225	0.5
209.11823	0.4
215.06870	0.5
225.09122	0.5
227.12933	0.5
241.08617	0.6
243.08459	1.9
251.12614	1.2
255.12401	0.9
259.09677	0.7
287.12711	0.7
311.12793	1.0
337.14273	1.0
338.14700	0.6
355.15414	2.9
356.15744	2.4
373.16541	1.5
411.16159	0.6
439.15732	6.8
440.16418	0.6
441.17450	1.3
442.20575	0.4
467.18796	0.6
469.20428	4.5
535.21216	0.6
658.21582	0.5
667.29297	100.0
668.18335	0.8
668.29572	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	667.3302
Annotation	Strychnogucine B
Peak:m/z	Relative Intensity
53.03954	1.0
55.01876	0.8
55.05509	1.3
57.03440	2.0
61.02929	3.8
63.08919	0.3
65.03909	0.4
67.05501	4.7
68.99942	0.3
69.03421	2.2
69.07077	2.5
70.34829	1.1
71.01346	0.7
71.05005	0.8
73.02905	1.9
79.05496	4.5
80.05047	0.6
81.03426	3.7
81.07061	2.4
83.04995	1.8
83.08631	1.0
85.02910	4.2
91.03963	2.3
91.05482	2.7
93.07047	4.2
95.04458	0.4
95.04971	2.3
95.08634	1.3
95.13679	0.3
97.02887	4.1
97.06535	5.4
97.10197	0.6
98.06871	0.6
99.04488	0.6
101.02373	1.7
105.07037	1.3
107.04959	0.6
107.08596	2.7
109.02878	1.2
109.06532	0.6
109.10173	0.6
111.04488	0.7
115.05485	0.4
117.07013	0.9
119.08614	1.3
121.10190	0.9
125.09619	0.4
127.03946	1.3
129.07010	0.5
130.61917	0.5
131.08588	0.8
133.10167	0.9
135.11697	3.7
137.09677	0.4
143.08554	0.4
145.04939	0.4
145.10181	1.5
147.11664	0.9
149.09665	0.4
157.10150	0.8
161.06088	0.4
163.03964	0.7
163.11255	0.7
164.04268	0.5
175.07697	0.4
175.11269	0.8
180.63185	0.4
181.12329	0.9
184.49841	0.4
185.04274	0.5
193.12277	1.0
203.05334	0.5
211.13303	0.5
213.09200	0.6
221.11595	0.7
223.64616	0.4
228.10263	0.9
229.10617	0.7
236.15250	0.4
240.07784	0.4
241.08531	0.6
243.08536	1.5
251.12633	0.6
255.16074	0.8
259.09695	1.1
311.13058	0.4
313.14240	0.3
320.83774	0.3
337.14383	0.5
338.14734	0.7
355.15503	2.4
356.15714	3.8
439.19446	10.1
439.25504	0.6
446.25922	0.4
469.20377	3.9
469.25534	0.3
505.27963	0.5
521.79877	0.4
583.27509	1.2
607.67041	0.4
667.33057	100.0
668.33344	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	667.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.9
53.22661	0.5
55.01878	1.9
55.05515	3.2
57.03441	2.8
59.05001	0.8
61.02929	4.1
62.81584	0.5
67.05500	5.2
67.37220	0.6
69.03431	4.1
69.07078	2.8
71.05008	1.1
72.01696	0.5
73.02908	3.4
74.95119	0.5
79.05490	6.5
80.05036	1.3
81.03411	5.6
81.03772	0.5
81.07067	6.8
82.29715	0.5
83.04967	3.3
83.08620	1.4
85.02903	5.0
85.06573	0.6
85.34406	0.5
91.03946	2.9
91.05481	4.6
93.07053	4.7
95.04990	2.3
95.08624	2.9
97.02895	5.5
97.06519	3.7
98.06887	0.7
99.04492	1.6
101.02403	1.6
103.05471	0.9
105.07017	4.1
107.04980	2.4
107.08574	3.0
109.02914	2.0
109.06544	1.9
109.10207	0.9
111.04498	1.8
117.07042	1.4
119.08566	3.8
121.06538	1.3
121.10186	2.0
123.08129	1.8
125.05972	0.9
127.03954	2.0
131.04955	1.0
131.08609	1.1
133.10188	1.0
135.08115	0.7
135.11740	2.3
137.09680	0.7
143.08554	0.7
145.06511	0.8
145.10184	2.5
147.04434	0.5
147.08038	0.7
147.11635	1.3
151.07611	0.6
153.12759	0.8
155.08638	0.6
163.11154	2.9
169.10156	0.6
181.12344	0.7
182.37039	0.5
189.09126	0.6
204.43938	0.7
209.11752	0.7
210.20726	0.5
223.13332	1.2
227.12946	1.7
228.10138	4.3
229.10406	3.1
241.08607	0.8
243.08559	1.6
251.12689	0.8
283.15546	1.2
337.14301	1.4
355.15466	1.3
356.15939	2.5
434.67923	0.7
439.19537	1.7
441.20923	4.4
467.18970	4.9
469.20267	0.9
495.97995	0.6
499.18964	0.6
505.27841	1.0
580.20331	0.6
635.30493	1.1
667.33044	100.0
668.33313	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	668.385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	12.3
55.22387	4.0
57.03423	6.4
57.07075	9.1
57.58266	3.8
61.02927	23.1
67.05507	59.8
69.03429	5.5
69.07071	16.0
71.08640	7.4
71.29060	4.0
73.02940	8.7
79.05496	21.2
81.03419	5.3
81.07056	65.5
83.04995	5.4
83.08627	10.8
85.02914	25.3
85.06546	5.9
91.03950	20.3
91.05486	26.7
93.07043	20.9
95.04979	7.8
95.08611	64.6
97.02899	13.8
97.06519	6.1
97.10196	5.5
99.01299	3.6
99.08098	9.7
105.07045	13.0
107.08597	13.4
109.10141	21.6
113.09641	4.4
119.08584	16.9
121.10126	17.9
123.08099	3.9
123.11721	11.9
127.11213	4.4
131.08528	5.0
133.10139	20.2
135.11729	19.0
137.13269	16.7
145.04964	13.5
147.11707	6.3
151.14847	10.5
161.13280	14.8
163.06038	21.5
175.14919	3.9
217.19524	65.5
218.19940	4.7
235.20564	100.0
236.20909	8.0
254.26431	3.8
283.15399	8.8
309.24246	22.7
327.25272	10.3
390.20688	4.0
498.21875	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	668.385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.01868	1.7
55.05514	12.2
57.03441	6.0
57.07071	13.1
59.97013	1.3
61.02927	25.2
65.03941	1.2
67.05504	54.8
69.03434	3.0
69.07068	17.7
69.42371	3.8
69.42778	2.9
71.04978	2.3
71.08640	2.9
73.02921	8.5
76.92525	1.2
79.05495	15.7
81.03407	3.2
81.07057	69.9
82.07394	2.1
83.04995	3.4
83.08620	9.7
85.02908	25.5
85.06551	4.7
85.10154	1.5
91.03958	22.6
91.05477	18.7
93.07045	21.3
95.04984	1.7
95.08607	62.5
95.74051	1.1
97.02886	13.0
97.06532	5.5
97.10177	6.4
98.22687	2.4
99.08079	6.9
105.07035	12.1
107.08589	12.2
109.02810	1.6
109.06470	1.6
109.10169	21.4
111.04391	1.3
111.08083	3.3
111.11731	2.2
113.09633	7.0
117.07032	1.1
119.08588	16.8
121.10144	17.7
123.08080	2.1
123.11703	13.4
127.03901	8.0
127.11224	4.5
131.08618	1.7
133.10132	19.4
135.11679	17.3
137.09621	2.3
137.13249	17.0
137.14204	1.4
137.35730	1.3
145.04970	9.3
147.11693	11.4
149.13287	5.1
151.11212	2.2
151.14801	11.6
161.13240	12.0
163.06004	17.6
175.14819	6.0
175.16263	1.2
189.16420	2.8
217.19516	73.4
218.19894	5.0
235.20563	100.0
236.20973	6.3
237.22263	1.8
246.12172	1.2
247.28389	1.3
253.21542	2.6
309.24216	43.6
309.27869	2.1
310.24612	3.0
327.25311	10.6
454.62100	1.4
471.29471	4.5
501.77536	1.4
576.78088	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89112	0.3
55.01831	1.3
55.05465	1.5
57.03437	4.5
57.07074	3.8
57.18818	0.3
58.06598	34.9
58.07002	1.1
58.19029	0.3
59.04966	0.4
59.06890	0.6
59.07381	9.9
60.08164	8.8
67.05508	2.9
69.07028	1.3
69.12299	0.9
69.12718	1.8
71.04951	0.3
71.08642	2.8
72.56738	0.3
73.01065	0.3
73.02866	1.1
75.04487	2.9
79.05495	2.4
81.03403	0.8
81.07050	3.4
83.01298	0.8
83.04935	1.1
83.08570	1.3
84.08085	0.9
85.02892	2.5
85.10167	1.8
86.09652	0.3
87.04469	3.1
91.05492	1.7
92.90168	0.4
93.07038	2.6
95.04894	0.5
95.08605	2.6
96.08859	0.3
97.06480	0.9
97.10116	0.5
100.11211	0.5
102.05489	0.7
103.03857	0.7
105.05450	0.6
105.06970	0.9
107.04922	0.4
107.08544	0.9
109.06451	0.4
109.10148	1.6
113.05968	1.1
117.06994	0.4
119.08529	0.7
121.10079	0.5
123.08002	0.5
123.11724	0.4
130.08560	0.4
131.07024	1.7
133.10088	0.5
135.07962	0.3
135.11655	0.5
144.10196	14.6
145.10129	0.8
162.11259	5.2
163.11163	0.8
197.45244	0.3
200.12814	0.5
218.13879	1.3
236.14914	86.8
237.15202	3.9
262.38388	0.3
299.25726	1.1
328.73495	0.3
339.17963	0.5
354.14514	0.4
382.25790	0.4
398.36194	0.9
426.24832	4.4
427.24973	0.4
442.35239	5.9
443.35620	0.7
444.25909	7.9
444.31909	0.6
445.26465	0.9
460.36285	15.2
461.36710	1.9
541.35785	0.3
650.46008	2.4
668.47461	100.0
669.47791	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	668.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96804	3.9
53.03937	4.6
55.01879	6.2
55.05508	22.3
57.03439	13.6
57.07079	39.9
58.06605	6.4
63.67275	3.0
67.05508	53.9
69.07072	27.4
69.64839	2.9
71.08638	31.1
72.97880	2.8
79.05495	37.1
81.03400	5.5
81.07057	60.5
82.35164	3.0
83.04986	10.7
83.08620	17.0
85.06515	2.8
85.10194	18.4
89.00514	3.4
91.05482	39.9
91.39065	2.8
93.07047	29.8
95.04976	11.1
95.08611	50.4
96.20522	3.4
97.06548	9.2
97.10196	8.2
99.08109	3.6
100.92274	3.0
103.03948	6.1
105.07035	41.8
107.04959	8.6
107.08604	27.0
109.06516	6.9
109.10168	16.4
111.08078	4.9
113.85689	3.4
117.06998	13.3
119.08580	23.2
121.06519	5.1
121.10149	12.5
123.08056	6.1
123.11667	4.2
125.09723	4.7
129.07074	4.7
131.08583	16.1
133.10147	19.9
135.08122	3.8
135.11693	10.9
137.09625	7.9
143.08441	3.8
145.10161	11.3
147.11717	14.2
149.09644	7.7
149.13281	4.9
157.10179	8.1
159.11745	8.6
161.13271	5.7
163.11192	10.4
173.13264	7.7
181.12285	4.1
183.11693	5.7
236.14915	13.6
239.17850	5.1
239.23712	6.0
247.20619	4.0
257.14200	4.3
257.18985	9.6
275.20096	53.7
276.20486	5.7
283.15417	13.1
293.21066	4.3
297.17084	14.7
313.27313	5.6
341.26849	100.0
342.27295	8.3
377.23251	24.8
492.21960	3.4
507.40326	6.8
574.11389	3.7
589.98096	3.9
608.18201	6.0
636.28375	10.0
668.31329	12.8
668.50336	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	668.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.2
55.01881	2.1
55.05516	10.5
57.03445	8.3
57.07080	13.9
58.06604	42.0
59.07382	12.8
60.08163	8.3
67.05510	11.7
69.03419	1.1
69.07061	5.4
69.80476	3.6
70.53725	1.0
71.08631	9.5
75.04488	2.6
79.05489	8.2
81.03432	2.2
81.07064	11.5
83.05008	1.8
83.08620	6.6
84.08153	1.0
85.02921	2.1
85.06544	1.2
85.10202	3.1
87.04488	4.9
89.03969	0.8
91.05473	5.3
93.07027	5.5
95.04987	4.3
95.08604	7.9
97.06522	2.2
97.10189	5.3
99.08147	1.2
103.87887	0.8
105.03419	2.1
105.07051	2.5
107.04964	9.8
107.08607	3.8
109.06534	0.8
109.10170	3.0
111.08095	1.4
113.06002	2.0
117.07060	2.5
119.08576	1.4
121.10178	1.0
123.04449	1.6
123.11652	1.6
125.09629	5.6
126.45937	0.8
129.84209	0.9
131.07079	2.1
133.02846	8.0
133.06537	2.6
135.04448	4.4
135.08145	1.7
143.08514	1.3
144.10207	17.9
145.06531	2.6
145.10219	1.1
146.79683	0.8
147.08128	1.6
149.13338	1.8
157.06487	1.7
157.10194	0.9
159.11746	0.9
161.06058	2.0
162.11314	6.2
163.11285	1.3
176.71156	0.8
189.11267	3.7
191.03493	1.4
218.13910	1.8
221.97694	0.9
227.12863	4.6
236.14925	92.4
237.15257	4.5
259.13458	2.2
277.14435	5.0
287.16812	1.0
313.27335	23.7
314.27878	1.4
351.17996	8.4
395.16895	6.9
395.20578	0.7
412.26852	5.0
412.37872	1.7
430.27972	9.4
456.36938	6.3
457.37271	1.0
474.37909	14.1
503.38101	0.9
507.40381	1.6
521.38281	1.8
589.41370	4.9
668.51001	100.0
669.30090	1.5
669.51794	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.5459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.1
55.05510	17.2
57.03447	8.4
57.07082	46.1
58.06614	3.3
63.55970	2.7
63.89505	3.1
67.05186	3.9
67.05515	41.7
69.04027	14.5
69.04449	13.1
69.07088	19.2
71.04977	3.1
71.08642	37.3
77.53380	2.9
79.05498	30.5
81.07063	51.5
83.04986	4.1
83.08627	16.0
85.06563	6.0
85.10188	14.8
89.85632	2.9
91.05487	38.7
93.07046	34.0
95.04975	7.4
95.08613	39.2
97.06566	6.7
97.10165	8.0
98.22636	5.6
99.08093	6.8
105.07053	26.1
107.08610	9.1
109.10183	13.4
117.07020	17.2
119.08572	21.8
121.10168	10.6
123.11714	4.9
128.06218	5.1
129.07010	11.1
131.08592	15.2
133.10179	9.2
135.11740	4.8
141.06999	4.5
143.08566	12.6
145.10150	12.8
147.11681	4.5
149.13190	3.2
155.08469	3.7
159.11707	6.4
161.13318	4.3
169.10109	3.5
171.11696	13.4
173.13359	5.0
174.21971	3.4
175.14922	7.8
177.12704	4.2
185.13292	14.1
187.14769	7.0
189.12764	7.8
197.13187	3.5
203.14362	6.2
205.15942	4.7
221.15408	3.1
239.23862	5.8
267.21228	5.2
285.22128	13.5
295.19119	13.6
303.23264	11.3
313.27377	100.0
314.27725	6.8
341.27063	4.8
377.26773	12.5
514.77679	3.1
533.42053	61.1
534.42303	8.9
615.49744	9.0
616.51434	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	668.546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.0
55.05511	43.5
57.03444	6.5
57.07073	12.6
67.05508	70.6
68.05843	3.6
69.07072	55.2
71.08627	16.1
74.70554	3.1
79.05497	45.6
81.03443	3.6
81.07058	83.2
81.07524	5.7
83.04987	12.1
83.08627	36.4
85.10175	4.8
86.46516	3.8
91.05489	31.1
93.07048	50.9
95.04970	10.8
95.08615	56.5
97.06541	9.3
97.10168	10.6
99.08073	6.6
105.07023	16.3
107.08606	23.4
109.06553	4.8
109.09547	3.1
109.10153	20.6
111.08054	5.5
117.06994	7.0
119.08595	10.9
121.10137	23.4
123.11736	6.4
131.08554	12.2
133.10127	10.6
135.08023	4.3
135.11681	16.7
145.10158	5.7
147.11685	6.3
149.13298	16.0
151.11185	4.7
155.01044	3.6
159.11615	6.2
161.13216	3.9
195.13733	4.7
229.00862	3.9
241.19737	3.8
244.13068	3.5
259.20596	4.4
265.25253	4.6
269.17538	8.8
313.27289	4.9
339.28857	33.8
351.25317	8.4
533.42090	100.0
534.42303	14.8
615.49316	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	669.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.7
57.03440	1.0
57.07069	0.9
63.70496	1.1
67.05517	3.1
69.07068	2.7
71.28681	1.8
79.05508	3.2
81.07053	4.1
83.08601	1.2
84.29578	0.9
85.02919	1.1
85.98759	1.1
91.05502	4.1
93.07056	3.1
94.06572	1.2
95.04960	1.5
105.07047	1.9
107.08593	2.2
109.06561	1.1
113.05988	0.9
119.08560	1.2
121.10142	2.4
138.30373	1.0
232.10844	1.0
236.88806	1.0
237.22131	3.4
311.25879	1.9
317.10022	1.0
329.26834	2.1
373.14941	1.3
377.17734	2.7
379.19327	1.6
384.79529	1.2
391.19312	3.2
393.20728	3.5
404.16217	1.4
405.16788	5.7
405.21634	1.8
406.17709	1.8
407.18918	1.6
417.17157	1.7
418.17844	1.7
419.18600	7.4
420.19412	4.2
421.20044	6.0
432.15454	1.3
433.16531	3.5
435.18268	1.5
446.17294	1.3
447.18073	6.7
448.18918	7.0
449.19760	8.1
450.20187	1.3
460.18512	1.0
461.20157	2.2
463.17609	1.2
475.17355	1.3
476.18350	3.2
477.19308	3.7
478.19797	1.4
489.19492	2.0
493.18207	1.4
503.20746	1.9
507.23660	4.6
508.23871	2.0
517.18732	1.4
520.21069	1.2
535.23608	11.6
536.24146	2.1
562.21887	2.0
563.22827	15.7
564.23407	2.8
573.20923	1.6
579.22107	1.8
581.23798	2.2
591.22491	4.0
605.23328	1.5
609.23383	10.0
623.24835	3.6
633.24011	1.8
637.26831	5.0
641.25446	1.8
651.24066	6.3
669.25500	100.0
670.25818	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	669.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.9
55.01878	1.7
67.05489	1.6
69.02887	0.9
69.03432	1.6
71.06295	0.9
79.05493	2.4
80.05016	1.6
82.06603	0.7
83.04974	1.0
88.03449	0.6
91.05517	0.7
93.03409	0.7
93.05792	1.7
94.06567	5.9
95.04974	0.7
96.04486	1.2
96.08128	2.0
97.02923	0.7
104.22708	0.6
106.06544	1.9
107.04956	2.1
108.04492	2.1
108.08135	1.5
110.06020	2.0
114.51035	0.6
117.48299	0.7
119.05013	0.7
120.08060	0.7
122.06033	6.2
123.06805	1.6
124.07596	5.8
134.06024	3.0
136.03914	3.4
137.06039	1.8
138.05501	1.2
138.09131	6.5
139.09456	0.8
146.09573	0.6
147.04401	1.9
147.09163	1.0
148.07549	0.7
149.07076	0.7
150.05498	14.2
150.06644	1.1
152.07066	9.5
158.06024	1.0
163.08775	0.8
164.07062	1.6
172.07608	2.3
174.09169	1.8
175.08665	4.4
176.07065	1.1
177.06638	1.2
178.04987	11.7
181.09746	0.7
186.05527	1.2
188.07095	1.2
189.10298	3.3
191.08160	3.3
192.06610	1.3
192.10248	1.0
196.06026	6.9
197.31020	0.6
199.08775	0.8
200.07056	2.3
201.06589	1.6
201.10326	1.2
202.07092	1.1
202.08650	2.5
203.08141	39.0
204.06586	19.3
204.08501	2.5
213.10297	2.5
215.08257	1.1
215.11763	1.2
217.09705	17.3
218.08066	2.1
218.09949	0.8
227.08270	1.1
228.06502	1.1
229.06129	4.4
231.07735	1.6
231.11258	2.8
233.09299	1.6
234.09967	2.8
235.10818	8.9
236.11069	0.9
237.12080	0.7
241.09778	1.6
243.07661	1.4
243.11444	1.3
243.14946	0.9
245.09203	39.8
246.07597	5.1
246.09685	1.5
247.10713	1.8
248.09184	1.1
251.06859	0.7
257.12778	2.5
259.10825	3.0
261.12396	2.2
263.10257	45.4
264.10699	2.4
269.09055	1.0
271.07126	2.5
271.10660	0.9
274.13156	5.5
275.13855	17.8
276.12177	1.3
277.08231	0.9
287.10239	16.0
287.13327	1.2
288.10880	1.3
289.08478	1.3
289.11789	2.9
299.84070	0.7
301.11874	2.0
305.11307	100.0
306.11612	6.7
307.12872	2.8
315.09778	0.8
333.10968	1.4
338.14978	1.1
339.16995	1.3
380.19757	1.9
381.18146	2.3
398.20667	3.8
406.17410	0.9
408.19110	2.9
424.18512	1.8
426.20233	40.8
427.20557	4.0
444.21289	22.5
445.21576	3.2
452.18250	4.8
456.21210	1.3
470.19247	5.6
474.22107	2.6
482.15320	0.9
603.24591	6.4
604.23444	0.8
621.25562	10.7
622.25690	1.9
639.26697	5.5
651.26135	2.5
667.62067	0.7
669.27899	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.6
55.01868	1.6
57.97319	0.7
58.10378	0.5
67.05496	1.6
69.13318	0.5
71.30122	0.7
73.02927	0.6
79.05476	2.3
80.05016	1.7
81.03407	0.7
83.04993	1.0
85.02896	0.8
85.06499	0.4
87.04458	0.7
91.05463	0.8
93.05788	1.4
94.06574	5.5
95.04959	0.6
96.04517	1.1
96.08118	0.9
97.02888	0.8
98.06054	0.6
106.06535	1.8
107.04927	1.9
108.04488	2.1
108.08107	1.8
109.05288	0.7
110.06056	2.5
115.03935	1.1
120.08128	0.6
120.19914	0.5
122.06049	5.3
122.53168	0.6
123.06806	1.4
124.07588	6.1
132.04427	0.8
133.04961	1.0
134.06030	3.0
136.03955	2.9
137.06010	2.8
138.09157	6.1
147.04443	1.0
148.07541	1.2
150.05507	13.4
152.07060	9.2
153.07423	0.6
158.06082	1.5
163.08701	0.6
164.06998	0.8
164.10754	0.5
167.85245	0.5
172.07576	2.1
174.05531	0.6
174.09157	2.2
175.07336	2.9
175.08846	3.4
176.07066	1.6
177.06595	1.3
178.04984	10.9
186.05434	1.3
187.07484	1.2
187.12312	0.6
188.07004	0.6
189.10263	2.1
191.08148	3.5
192.06554	1.1
196.06078	6.1
200.07184	2.8
201.06671	1.5
202.07088	1.0
202.08923	2.5
203.08153	38.7
204.06598	16.1
204.08514	2.1
205.06854	0.6
205.09955	0.6
213.10234	1.9
215.08136	0.8
215.11713	0.7
217.09724	16.2
218.08075	1.3
218.10039	0.9
220.09796	0.6
227.08081	1.3
229.06094	3.7
229.09935	0.7
229.13309	0.6
230.08189	0.7
231.07950	0.6
231.11293	1.7
233.09203	2.0
234.09985	2.0
235.10822	9.5
236.11224	1.0
241.09747	0.9
243.07724	1.2
243.11194	1.2
243.14790	1.0
245.09209	34.7
245.13072	1.5
246.07437	4.8
246.09605	1.6
246.13696	0.8
247.10794	1.8
247.14719	0.6
248.09241	1.6
257.12894	2.9
259.10803	2.5
261.08688	0.7
261.12314	2.5
263.10269	45.3
264.10712	2.4
269.09137	1.2
271.07150	3.0
271.10233	0.5
274.13095	5.3
275.11044	1.1
275.13901	18.1
276.12027	0.8
277.08286	1.5
277.11694	0.7
287.10287	11.7
288.10678	0.9
289.08228	1.4
289.11792	1.4
293.08240	0.8
301.11786	1.2
305.11301	100.0
306.11594	6.2
307.12799	2.9
322.15430	0.7
331.09335	0.8
339.17163	0.8
341.13727	0.6
367.32651	0.5
380.15393	0.8
380.19678	2.2
381.18262	1.3
398.20813	3.7
406.17493	0.6
408.19147	3.2
414.16595	0.7
424.18427	1.5
426.20224	41.8
427.20349	3.6
434.16965	0.6
444.21295	19.6
445.21542	1.6
452.18198	4.9
456.21069	1.6
470.19196	5.0
603.24457	4.7
604.24524	1.2
621.25494	15.5
622.26154	2.3
633.24731	0.6
639.26483	5.5
640.26636	1.4
651.25848	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2917
Annotation	Agrimol G
Peak:m/z	Relative Intensity
55.01901	0.8
55.05488	0.9
57.03424	1.1
67.05502	3.6
69.07079	1.3
69.27642	5.4
73.05109	0.8
73.92782	0.9
79.05505	3.2
81.03430	1.4
81.07057	4.1
91.05483	2.8
91.76150	1.0
93.07066	3.0
93.49585	0.9
95.04986	1.1
95.08613	1.8
97.06528	1.0
97.45384	0.9
98.22623	1.9
105.07053	2.9
107.04964	1.0
107.08611	1.1
108.08107	1.4
112.84293	1.0
117.07019	1.2
119.08608	1.1
120.08092	1.7
131.08548	1.2
134.06094	1.6
135.11641	1.0
139.12825	0.9
174.09204	2.2
178.04959	1.7
183.09163	1.1
197.10796	1.0
211.08669	2.4
211.12395	1.2
212.09460	1.2
225.10277	2.7
226.10997	0.9
227.11845	1.7
236.15034	1.0
237.10304	2.0
239.08214	1.1
239.11853	2.3
241.13345	1.4
242.45125	0.9
249.10269	2.0
251.11708	1.3
253.13335	1.4
255.11432	1.3
255.14783	1.5
271.11063	1.3
297.08929	1.4
297.12497	1.1
299.14130	1.1
300.15054	1.2
302.12860	1.3
310.10065	0.9
312.14972	1.3
313.12549	1.1
316.14374	1.0
324.11118	1.1
326.12982	1.4
339.13907	1.3
342.12677	1.6
344.13983	1.5
345.15161	0.9
354.12585	1.5
356.14032	1.4
358.15643	1.3
368.13846	1.8
368.27832	1.2
386.15247	1.1
404.16153	1.3
412.83249	1.1
417.17084	1.3
419.18805	1.7
433.20825	2.1
445.16370	1.3
447.18188	1.1
449.19882	2.3
453.22992	1.1
461.19907	2.7
462.20627	1.1
463.21469	2.0
465.19220	2.0
473.19708	1.4
474.20587	1.4
475.16830	1.4
475.21918	1.8
479.20621	1.6
487.17236	1.0
489.19104	3.3
489.23575	0.9
490.20078	2.8
491.21021	1.9
492.21680	1.5
493.22559	2.2
502.20108	1.1
503.20779	4.4
505.22571	1.7
507.20227	2.0
517.18121	8.4
519.20062	1.4
520.20331	1.2
530.19196	1.6
535.22919	3.5
538.66266	1.2
539.26324	1.7
545.21985	1.2
548.24646	1.3
549.24548	3.5
559.22583	1.1
561.21497	1.4
562.21948	2.4
567.26324	4.5
576.23975	4.9
577.24176	2.9
591.26074	3.4
595.25763	1.8
604.23181	2.1
605.23566	1.8
609.27185	7.4
610.27765	2.9
619.25641	7.0
627.28070	6.3
637.26575	8.1
638.26068	1.2
651.28101	100.0
652.28314	14.7
654.27222	2.7
669.29132	62.8
669.39417	2.8
670.29431	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	669.2916
Annotation	Swietephragmin D
Peak:m/z	Relative Intensity
53.08629	0.8
67.05499	3.4
69.82614	1.9
69.83006	1.9
79.05489	2.1
81.07054	2.4
90.78059	0.8
91.05473	2.6
93.07034	1.5
94.06584	1.1
95.04945	0.9
95.08596	2.6
105.07067	2.0
106.11418	0.7
107.08581	1.0
117.06961	1.2
119.08592	1.5
120.08120	9.1
131.08595	1.2
133.10117	1.2
145.10152	0.9
146.06003	1.1
149.06567	0.8
158.09668	1.6
171.09190	2.2
202.67548	0.9
212.09503	0.9
225.10132	0.9
234.20363	0.8
236.14876	1.5
237.10207	1.8
238.11105	1.0
241.13518	1.0
253.13414	1.6
277.09735	1.0
296.11926	1.0
300.11325	1.6
302.12769	1.1
311.14166	1.0
312.11169	1.3
313.11966	1.3
314.12982	1.8
314.74490	0.8
316.14362	1.5
324.11478	1.1
325.11868	1.8
326.12753	1.9
328.10892	0.9
328.14368	1.6
329.11893	1.2
330.12231	1.4
330.15811	0.9
339.13849	1.1
340.14590	1.2
342.12317	2.1
342.15985	1.6
344.13956	1.1
353.11575	1.3
354.12164	2.3
356.14020	2.6
358.11740	1.1
358.15585	1.3
367.13123	1.4
368.13947	3.1
369.14581	1.9
370.15475	1.7
371.16299	1.5
372.13214	0.9
372.17398	1.1
373.14029	0.9
374.15100	1.4
382.11023	1.0
382.15460	2.0
383.16202	1.4
386.14880	1.7
387.15948	1.1
388.16504	2.3
389.17603	1.5
390.14478	1.5
391.19501	1.0
398.14899	1.7
399.10516	0.8
399.15811	1.1
400.16562	2.8
401.17511	0.9
403.19342	1.2
404.15863	1.6
405.16614	1.7
408.66388	0.9
410.15070	1.8
413.17850	1.2
414.18057	2.7
415.18851	2.7
416.15814	1.8
418.18011	1.1
419.18707	2.9
427.15082	1.0
428.15924	2.1
431.18460	2.3
432.19888	1.5
433.21149	1.0
434.21048	1.4
441.17432	0.9
443.18753	1.1
446.17218	1.9
447.17230	1.2
447.22253	1.2
457.20203	1.7
459.17587	1.2
460.18884	2.4
461.18848	2.0
462.20444	1.8
463.21201	1.8
465.19211	1.4
469.16946	0.9
470.16827	1.4
471.22177	2.1
474.20343	1.7
475.21832	3.8
476.21597	1.8
483.18079	1.1
484.18680	0.9
488.17764	1.1
489.22406	2.5
491.20398	1.5
494.26477	0.9
499.21179	4.1
500.22122	1.2
502.19928	1.8
503.20709	2.8
507.20120	2.8
517.22589	5.1
518.22809	2.5
521.24921	1.3
527.20367	2.3
530.19250	6.7
535.23187	2.7
543.23755	1.5
545.21814	1.6
549.24652	3.2
559.23096	3.6
561.25201	1.6
562.21838	13.1
563.22784	5.2
577.24261	8.5
578.24603	2.2
579.25128	1.2
580.22412	1.7
587.22833	15.2
588.23303	1.9
595.25476	4.9
605.23999	6.2
609.27063	14.0
610.27039	3.2
619.25562	26.6
620.25446	4.7
637.26581	100.0
638.26978	15.8
651.27881	2.6
669.28839	9.0
669.39899	5.2
670.29395	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2919
Annotation	Agrimol G
Peak:m/z	Relative Intensity
55.05519	0.5
64.13878	0.3
67.05501	1.0
69.07082	0.5
69.21011	1.4
69.21427	1.0
79.05493	0.5
81.07058	0.8
83.08635	0.3
91.05495	0.4
93.07069	0.7
95.08615	0.4
98.23317	0.5
107.08570	0.3
107.80053	0.3
134.59435	0.3
154.52441	0.4
155.02911	0.3
182.77531	0.3
213.54008	0.3
225.13989	0.4
229.15828	0.3
305.34189	0.3
356.14404	0.3
377.17764	0.6
378.18176	0.5
379.19278	0.9
380.19672	0.4
391.15106	0.4
391.19388	1.4
392.19916	0.8
393.20752	1.4
394.21600	0.6
403.19498	0.4
404.15927	0.4
405.16397	2.3
405.21088	1.0
406.17969	1.2
406.22360	0.7
407.18723	0.6
407.22656	4.2
408.23141	0.7
417.21075	0.4
418.17941	1.3
419.18350	4.6
419.23380	0.7
420.19104	2.3
421.20193	4.1
422.21075	0.6
423.21817	0.9
431.18576	0.5
433.20370	13.8
434.21017	6.0
435.16833	0.4
435.21976	7.0
436.22617	1.5
445.20673	0.6
446.21100	1.1
447.17926	1.4
447.22388	1.3
448.18069	0.7
448.23218	0.7
449.19604	7.3
450.20270	1.3
461.19147	0.7
461.24252	0.4
462.20184	1.6
463.21048	3.8
464.22180	1.4
465.23724	0.5
475.21646	0.7
476.22397	0.4
481.22296	0.6
491.20441	0.9
493.22867	1.8
494.22507	0.4
495.24081	1.0
496.24945	0.4
504.21817	0.5
505.22583	1.4
506.23145	0.7
507.20108	1.0
507.24179	1.0
508.20828	0.6
509.21426	2.0
517.22876	0.5
520.24774	0.9
521.26172	6.8
522.22168	4.1
523.23199	4.5
524.23730	0.4
535.23273	1.4
537.24939	0.4
548.24457	0.6
549.25110	4.3
550.25244	1.0
551.24976	0.4
565.24695	0.7
567.22302	1.7
577.24207	1.2
579.26080	1.1
580.26697	1.4
581.27832	2.2
591.25793	0.7
609.27020	14.6
610.27271	2.7
637.26514	5.0
638.26947	0.7
643.63403	0.4
651.28217	0.9
669.29163	100.0
670.29498	15.3
670.38824	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2916
Annotation	Swietephragmin D
Peak:m/z	Relative Intensity
53.03957	0.3
55.01878	0.3
55.05500	0.3
57.03436	0.5
59.39201	0.3
66.89107	0.3
67.05495	1.3
69.07065	0.6
71.04969	0.3
76.53056	0.3
79.05499	1.0
81.03405	0.3
81.07069	0.8
83.04984	0.7
91.05471	1.6
93.07045	1.4
95.04925	0.6
95.08589	0.9
97.06548	0.5
98.23368	0.8
105.07035	1.0
107.04943	0.3
107.08610	0.6
108.08112	0.4
111.04446	0.4
117.07021	0.7
118.06554	0.6
119.08601	0.6
120.08108	3.1
121.10123	0.5
131.08583	0.6
132.08078	0.5
133.10152	0.4
135.11642	0.3
143.07281	0.4
144.08047	0.5
145.10085	0.5
146.06006	0.7
147.11687	0.4
158.09698	0.9
163.11180	0.4
164.07036	0.3
171.09174	0.7
178.08731	0.3
185.13362	0.3
195.09050	0.5
196.09906	0.4
210.11534	0.4
211.12291	0.8
224.09378	0.4
225.10225	0.8
225.13831	0.4
237.10300	0.7
238.11032	0.4
251.08241	0.6
251.11833	0.4
253.13403	0.5
265.09531	0.4
281.09357	0.3
297.12390	0.7
300.11429	0.4
300.14969	0.6
301.12299	0.9
302.12930	0.9
311.14063	0.6
312.11533	0.6
312.14981	0.8
313.12027	0.9
314.12906	1.3
315.13855	1.1
315.18008	0.6
316.11063	0.4
316.14508	0.9
316.18057	0.3
326.12714	1.8
327.13858	0.5
328.10977	0.6
328.14529	1.4
329.11765	0.4
329.15402	0.5
330.12363	0.4
330.15900	0.4
331.13489	0.3
337.12314	0.5
338.12756	0.5
339.13828	0.8
340.14609	0.8
341.11572	0.8
342.12354	1.2
342.16043	0.6
343.13181	1.0
343.17068	0.3
344.13766	1.5
345.14297	0.5
346.12073	0.4
353.11407	0.4
354.16153	0.6
355.13007	0.7
356.14041	2.2
357.14734	0.3
358.11676	0.4
358.15619	0.8
360.13516	1.0
361.14297	0.6
366.16043	0.5
367.12851	0.4
368.14032	0.5
369.14645	0.4
370.11398	0.4
370.15598	1.0
371.16153	0.5
372.13345	0.4
372.17285	0.4
374.15149	1.2
375.16266	0.5
376.16818	1.3
377.17841	0.7
382.15469	0.9
383.16348	0.6
386.15210	0.5
388.16852	1.7
389.17532	1.1
390.18875	0.5
391.15131	0.4
391.19565	0.7
393.20712	0.6
398.14832	0.5
401.17242	0.5
402.18405	0.7
403.14981	0.6
403.19681	0.8
404.15955	0.7
405.17050	0.9
407.22324	1.0
414.18671	0.6
416.16071	0.6
417.17108	0.8
418.17700	1.0
419.18460	0.9
420.19614	0.7
421.20273	1.1
430.17728	0.9
431.18658	0.7
432.19522	1.0
433.16055	0.6
433.20755	0.5
434.21426	0.4
435.21799	1.0
447.18323	1.3
449.19177	0.6
449.24353	0.6
458.20932	0.4
459.17908	0.6
460.18948	1.0
461.19772	1.4
462.20438	1.3
463.20999	2.9
465.18719	2.3
466.19522	0.4
475.21921	2.4
476.22055	0.5
477.18704	0.6
479.20520	0.6
489.23260	0.9
490.20200	0.6
491.20517	3.2
492.21225	1.0
493.22241	0.4
500.21960	0.4
503.20581	1.8
504.21243	0.6
507.20041	11.3
508.20355	1.6
517.22400	2.5
518.22925	1.1
519.23785	0.7
521.25403	1.0
522.25037	0.4
527.20892	0.5
530.19373	0.6
535.23474	1.5
545.21759	0.6
549.25500	1.7
550.25165	0.6
553.28381	0.5
566.25226	1.1
577.24512	2.7
581.27393	0.6
609.27124	7.9
610.27191	1.4
637.26526	100.0
638.26807	15.6
669.29089	5.3
669.40265	1.2
670.29340	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2915
Annotation	Swietephragmin D
Peak:m/z	Relative Intensity
52.19954	0.2
67.05516	0.5
72.74991	0.3
75.04489	0.3
79.05498	0.5
81.07077	0.4
91.05480	0.5
93.07059	0.3
105.07002	0.3
107.08626	0.4
108.60542	0.3
108.77440	0.3
109.10159	0.3
119.08614	0.3
131.17953	0.3
168.57841	0.3
184.07365	0.5
242.16878	0.3
363.15894	0.4
377.17667	0.8
378.18561	0.5
379.19208	0.7
389.17694	0.6
390.18860	0.4
391.15323	0.7
391.19626	1.4
392.19980	0.8
393.20773	4.0
393.25452	0.3
394.21445	0.6
403.19562	0.3
404.20215	0.5
405.16357	2.4
405.21106	1.4
406.17767	0.8
406.22150	0.7
407.18484	0.7
417.16937	0.5
418.17841	0.9
419.18762	3.5
420.19409	3.2
421.20148	5.7
422.20938	0.8
429.17081	0.4
431.18814	0.7
432.19370	0.9
433.15756	0.8
433.21133	2.6
434.16266	0.4
434.21051	1.0
435.18036	0.9
435.22800	0.4
444.19495	0.4
445.20425	0.8
447.17407	2.4
448.18649	4.0
449.19708	5.5
449.25967	0.3
450.19962	0.5
460.19232	0.4
461.19888	2.8
462.21017	1.6
463.16803	0.6
463.22531	1.3
464.22159	0.5
465.23892	0.4
473.19791	1.1
475.22195	1.5
476.18762	1.1
477.18848	3.4
478.20035	0.6
489.18814	1.9
490.20193	0.9
491.20425	1.7
492.21408	0.9
493.22217	0.3
494.23288	0.3
503.20511	2.0
504.21564	0.5
507.24313	4.6
520.24915	0.4
521.25995	0.5
522.22571	0.5
523.23309	1.0
531.20966	0.3
535.15308	0.5
535.23450	10.1
536.23694	1.6
549.25269	3.4
550.25592	0.3
551.26044	0.3
559.23297	1.3
563.22876	16.2
564.23383	2.3
567.25696	1.1
568.26599	0.3
577.24591	4.8
578.25269	1.0
579.26056	1.0
581.27753	2.4
591.22845	0.8
595.25580	3.8
596.26782	0.6
609.27063	6.3
610.27448	1.1
619.25537	0.9
619.97009	0.3
623.25049	5.4
624.25494	0.8
637.26654	2.2
638.27106	0.6
641.29858	1.3
669.29156	100.0
670.29425	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46169	0.6
55.05506	0.7
58.06590	2.6
59.07380	0.7
67.05502	1.6
68.98309	5.0
79.05476	1.2
81.07077	1.1
85.69731	0.6
91.05502	1.2
93.07036	1.4
94.06587	0.9
95.04984	0.8
95.08625	1.0
96.83434	0.6
99.08084	0.6
101.42068	0.5
105.07011	1.1
106.06595	0.8
109.05415	0.6
118.06603	1.4
131.08507	0.6
133.10258	0.9
144.10204	1.2
147.11678	0.8
168.08124	0.8
195.09244	0.8
207.09151	1.4
208.09857	0.9
209.10718	1.9
210.11502	1.9
211.08687	0.8
211.12415	1.0
220.09917	1.0
221.10843	2.3
222.11610	0.9
223.12325	2.3
224.12962	1.3
225.13779	3.2
226.14633	0.8
233.10802	1.2
234.11551	0.7
235.08656	0.8
235.12404	2.0
236.14944	4.4
237.13850	3.5
238.14670	0.9
247.08682	1.0
248.09605	0.7
249.10246	1.9
249.13924	2.0
251.08174	0.9
258.11823	1.0
265.09760	1.3
273.13925	1.1
275.08121	1.1
275.15533	0.9
276.08667	0.8
277.09705	1.5
324.11450	0.8
325.12173	0.8
327.13651	0.7
338.12857	1.6
340.14615	1.3
367.13055	0.9
368.13867	1.2
376.14700	0.7
389.18002	0.9
399.16116	1.0
400.16476	0.9
401.17792	1.1
413.17764	1.8
414.18668	1.7
415.19205	1.9
417.16864	1.5
418.18103	1.1
421.24234	0.8
426.14951	1.2
427.15637	2.5
428.16132	2.6
429.20715	2.1
433.20865	1.1
440.16467	1.2
441.17255	4.5
442.18164	3.2
443.18246	2.0
444.19247	1.4
449.23441	1.3
454.14285	1.1
455.14545	1.5
456.19995	1.2
457.20975	4.2
460.18912	1.2
469.16135	4.2
470.17130	3.0
471.22839	3.9
472.22830	1.0
473.19342	1.2
474.20697	1.0
475.21542	3.1
476.21570	1.4
482.19205	0.8
484.18668	1.6
485.20013	4.6
486.20764	1.0
487.17270	1.0
488.17838	1.0
489.23242	3.7
491.20621	2.5
497.15741	1.5
498.16855	1.5
499.21558	11.8
500.22018	6.2
501.19489	2.3
502.19897	1.8
503.20663	4.4
504.21625	1.5
511.21225	2.7
512.18805	2.0
513.19348	3.2
514.19623	1.4
515.24445	0.9
517.22418	10.7
518.22601	3.3
527.13263	1.4
527.20801	20.7
528.21106	5.8
529.21686	1.2
531.23608	1.2
543.23907	14.3
544.24341	2.3
545.21893	4.6
555.20081	3.1
559.23199	6.8
560.23260	0.9
577.24481	1.9
587.22852	100.0
588.23218	15.7
605.23907	2.7
619.25482	78.7
620.25781	11.8
637.26593	11.0
638.26843	1.5
651.44971	1.1
669.29138	2.4
669.48035	1.2
670.48798	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	669.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99949	0.5
58.06598	2.2
59.07371	0.8
65.54646	0.6
67.05505	1.5
67.39596	0.6
69.07087	1.2
79.05500	1.7
81.07040	1.7
83.04986	0.6
91.05504	2.0
93.07040	1.2
95.08614	1.2
98.22561	1.2
105.07059	1.1
118.06559	1.2
120.08100	0.6
125.84831	0.6
130.83554	0.5
137.38351	0.6
144.08118	0.6
144.10222	1.4
156.08199	0.8
182.09613	0.7
183.09216	0.6
195.09212	0.7
199.08725	0.6
207.09161	1.2
208.10001	0.6
209.10699	1.3
210.11528	1.4
211.12425	1.1
220.09917	1.2
221.10747	1.7
223.12369	1.1
225.13899	2.4
233.10910	0.9
235.12477	1.0
236.13072	0.7
236.14989	4.6
237.10300	0.7
237.13783	1.2
247.12569	0.7
249.10262	2.7
249.13887	1.0
251.11780	0.6
263.08212	0.6
266.69144	0.6
275.08014	0.8
275.15579	0.6
277.09875	1.2
291.07632	0.6
291.11148	0.6
302.12958	0.8
310.09753	0.7
311.10602	0.9
312.11307	0.8
313.27335	0.8
316.14371	0.7
324.11459	0.7
325.12045	0.8
327.10352	0.6
338.12973	1.7
340.14377	1.5
350.12546	0.7
352.10797	0.9
352.22729	0.6
354.12234	0.6
354.68964	0.5
358.15103	0.6
398.15872	0.8
399.16083	1.4
400.16769	1.6
405.17258	1.7
412.12970	0.7
413.17520	1.8
414.18900	1.3
415.19366	1.2
419.18521	1.5
425.17517	1.0
426.15167	1.3
427.15787	2.6
428.16086	2.1
429.21451	1.4
431.18890	0.7
433.20581	0.9
440.16794	0.8
441.17062	3.6
442.17929	3.7
443.18518	1.7
445.16345	1.1
447.22165	0.8
449.23495	1.0
454.14325	0.7
455.15057	2.6
457.20682	5.6
458.21112	0.9
460.18726	0.9
469.16104	4.5
470.17270	2.7
471.21729	2.3
472.22522	2.1
475.21219	2.4
483.18558	2.0
484.18823	2.1
485.19934	3.3
486.20441	1.3
489.22903	2.2
491.20731	1.4
497.16052	2.1
498.16614	1.2
499.21490	10.6
500.22125	5.2
501.19031	1.2
502.19864	1.6
503.20544	3.2
504.21429	1.6
511.21289	2.6
512.18475	2.6
513.19360	2.4
515.20673	1.4
516.21222	0.9
517.22296	9.6
518.22949	2.5
527.20862	18.5
528.21356	4.2
529.21570	0.7
531.24304	0.7
533.21594	0.9
543.15613	0.8
543.23871	13.3
544.24176	1.5
545.21820	4.9
546.21948	0.9
549.24780	0.9
555.20026	2.7
559.23370	4.8
560.23889	1.2
569.22113	0.8
578.25171	0.8
587.22852	100.0
588.23096	18.2
605.23663	2.1
619.25500	51.7
620.25928	8.5
637.26587	14.4
638.26776	2.5
668.47278	1.6
669.28998	1.8
669.47321	2.4
670.48755	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	669.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05429	0.5
58.06483	4.3
58.06813	1.6
59.07291	0.8
59.07563	0.5
60.08091	0.3
66.37423	0.3
67.05409	0.6
69.06950	0.9
69.07360	2.4
71.08509	0.4
79.05401	0.5
81.06938	0.8
83.04879	0.4
83.08463	0.4
84.04360	1.6
85.10059	0.5
91.05351	0.8
93.06916	0.7
94.06468	0.4
95.04848	0.4
95.08471	0.7
97.10073	0.4
98.23378	0.7
101.06983	1.9
105.06910	0.7
107.08464	0.5
109.10059	0.5
113.26888	0.3
118.06420	0.7
120.07974	0.7
123.11580	0.3
134.05891	0.4
137.78778	0.3
143.08395	0.3
144.10005	1.4
150.73341	0.3
156.07935	0.3
168.07906	0.5
171.72226	0.3
195.09099	0.5
197.10538	0.8
199.08545	0.3
207.09007	0.5
208.09767	0.7
209.10579	1.1
210.11253	0.9
211.08513	0.4
211.12180	0.6
219.09047	0.4
221.10529	1.3
222.11240	0.4
223.08519	0.4
223.12263	2.3
224.12874	0.4
225.10089	0.5
225.13895	2.1
226.14340	0.3
233.10573	1.0
235.08562	0.6
235.12021	1.2
236.14923	6.3
237.09955	0.4
237.13580	2.0
238.14456	0.5
239.15260	0.5
247.08551	0.4
247.12477	0.4
249.10255	1.6
249.13637	1.1
251.07982	0.5
261.10019	0.6
263.07910	0.5
263.11795	0.4
265.09641	0.7
268.22504	0.5
273.13721	0.4
273.21408	0.6
275.08041	0.7
275.15277	0.3
277.09521	1.3
291.11093	0.5
296.11658	0.3
315.14496	0.3
324.11252	0.7
324.14575	0.4
325.11835	0.8
326.12854	0.8
337.11652	0.4
338.12692	1.1
339.13528	0.8
340.10623	0.4
340.14264	1.2
352.14145	0.5
354.12146	0.4
354.15970	0.5
366.12061	0.4
366.16064	0.4
368.13806	0.8
382.15491	0.4
386.15598	0.4
389.13998	0.5
391.19571	0.4
396.28372	1.2
398.15723	0.5
399.15912	1.3
400.17056	0.5
401.17657	0.5
404.15570	0.4
405.16910	0.8
410.14819	0.8
411.15112	0.5
413.13165	0.4
413.17999	0.8
414.18198	1.2
415.19714	1.7
417.16772	0.6
418.17587	0.4
419.18512	0.7
426.15042	0.9
427.14960	1.9
428.15939	1.2
428.20792	0.5
429.16071	0.5
429.20700	1.4
433.20276	0.9
435.21622	0.3
441.17188	3.8
442.18018	1.9
443.18408	2.2
444.18802	0.5
445.16309	0.9
446.17172	0.6
447.22092	0.7
449.23581	0.7
453.16956	0.4
454.14090	0.6
455.14691	1.2
455.19342	1.0
456.19739	0.9
457.20581	4.3
458.20880	0.8
460.18732	0.5
461.36252	0.4
467.18802	0.5
469.16409	3.5
470.17325	2.7
471.17148	1.3
471.21915	1.8
472.23114	1.8
473.20496	0.3
474.20151	1.0
474.37927	0.4
475.21622	2.3
483.18585	0.7
484.18903	1.8
485.19922	4.6
486.20148	1.1
487.16711	0.5
488.18277	0.7
489.23703	1.9
490.23953	0.5
491.20410	1.9
497.15952	0.6
498.16760	1.3
499.21463	11.8
500.22192	5.3
501.18582	2.0
502.19876	1.4
503.20737	2.8
504.21426	1.2
507.23749	0.5
510.20566	0.7
511.21652	2.3
512.17804	1.8
513.18982	2.8
514.19592	0.7
515.20587	0.6
515.24683	0.6
517.22418	7.7
518.22693	1.3
527.20746	19.8
528.21454	6.4
531.23962	0.6
533.21533	0.6
535.23395	1.7
543.23895	14.1
544.24365	2.0
545.21838	4.1
546.22131	0.7
549.25250	0.5
550.25757	0.4
555.19989	2.6
559.23474	4.1
560.23877	0.6
561.25024	0.5
563.22852	4.7
564.22992	0.6
569.21851	0.8
577.24432	0.8
587.22858	100.0
588.23206	13.2
605.23785	3.4
606.23669	0.5
619.25494	55.2
620.16205	0.7
620.25812	8.1
637.26544	14.9
638.27228	2.3
668.47003	2.8
669.29199	0.8
669.47876	4.2
670.48718	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	670.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01856	0.7
57.03437	2.7
59.99541	0.2
61.02926	0.6
65.03947	1.1
66.55734	0.2
69.03431	10.4
69.59241	1.4
71.01339	0.7
71.04997	3.0
73.02921	1.0
81.03424	3.8
83.01360	0.5
83.04987	0.4
85.02908	11.9
87.04478	0.4
91.05484	7.6
94.06620	0.3
97.02898	10.1
98.03223	0.4
98.22681	0.4
98.97555	0.4
99.00839	0.6
99.04453	3.7
101.02377	0.8
107.04945	0.7
109.02885	2.2
111.54211	0.3
115.03935	0.4
119.04944	17.9
120.05235	0.6
123.04440	0.3
127.03922	11.8
128.04192	0.4
128.74078	0.3
131.04893	0.3
145.04964	9.9
146.05295	0.3
147.04410	100.0
148.04736	3.0
163.03920	0.7
163.06062	0.3
165.05490	2.3
210.07654	0.6
212.08324	0.4
213.09114	1.9
214.09538	0.2
219.08228	0.4
219.14442	0.3
237.09102	1.3
243.05061	2.0
261.06052	0.8
265.08661	0.9
291.08655	2.7
293.08060	1.7
309.09692	15.0
310.10043	0.8
311.09027	0.7
326.61475	0.3
387.09091	0.5
399.52942	0.3
405.10281	3.1
455.13376	5.2
603.58246	0.3
688.74231	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38352	0.2
53.03948	0.4
55.01877	0.2
57.03114	0.2
57.03427	0.9
61.02925	0.3
61.64774	0.2
65.03941	0.9
69.03433	5.5
69.12320	1.5
69.39780	0.2
71.01337	0.4
71.04996	1.4
73.02914	0.2
81.03422	2.0
83.01331	0.2
85.02911	5.9
89.80521	0.2
91.05483	6.9
92.05833	0.2
97.02895	6.5
99.00861	0.3
99.04442	1.6
101.02353	0.2
107.04961	0.3
109.02854	1.1
119.04948	19.5
120.05272	0.8
121.02802	0.2
127.03913	6.3
145.04953	5.2
147.04410	100.0
148.04735	3.8
165.05521	1.5
213.09132	0.9
237.09142	0.6
243.05023	0.6
261.06012	0.4
265.08588	0.6
287.05963	0.2
291.08649	3.1
293.08072	0.8
309.09677	15.5
310.10001	1.0
387.09164	0.3
405.10077	1.1
419.28760	0.2
455.13226	2.4
456.13907	0.2
572.04559	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00319	1.4
53.03948	6.1
55.01874	3.8
57.03436	18.4
59.03063	1.1
59.04996	0.9
60.10363	0.9
61.02929	5.3
69.03430	81.9
69.10912	6.7
70.03764	1.0
70.06590	1.5
71.01360	6.5
71.04994	19.6
73.02915	9.0
81.03419	35.3
83.01339	3.2
83.04986	1.8
85.02905	91.1
86.03264	1.4
87.04488	3.3
91.05482	7.4
95.04992	2.1
97.02893	69.9
98.03217	1.5
99.00813	14.0
99.04453	30.4
101.02394	5.1
102.02673	0.8
103.03966	0.9
107.04952	6.8
109.02879	41.9
111.94518	0.9
113.02343	1.0
115.03934	3.7
117.01878	2.1
119.04939	17.4
121.02880	1.8
123.04445	2.9
127.03915	100.0
128.04228	1.7
131.04970	1.3
137.02350	3.1
137.68346	0.9
141.01793	0.9
145.04950	65.7
146.05273	1.1
147.04407	6.3
163.06073	1.1
195.08244	1.4
204.83742	1.1
212.08353	2.0
213.09108	22.5
214.09409	1.1
214.57439	1.0
215.05530	2.9
225.03996	5.8
237.09081	6.0
243.05022	19.8
244.05482	1.2
247.07617	2.7
251.07198	1.0
253.07117	2.5
261.06064	16.6
265.08527	6.8
285.01465	0.9
293.08093	8.9
299.07556	2.1
311.09079	5.9
327.07108	1.4
351.07492	2.2
369.08026	3.2
387.09137	15.4
405.10257	58.0
406.10599	3.5
423.11417	4.3
428.38495	0.9
455.13321	19.4
581.16504	3.0
624.91779	1.0
652.54224	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11053	0.4
53.03946	0.7
55.01850	0.8
55.05503	0.5
57.03430	3.6
59.05011	0.7
60.04523	0.7
60.31789	0.4
65.03960	0.8
69.03085	0.8
69.03430	11.9
69.38415	2.6
70.06596	0.7
73.13159	0.5
75.04487	0.6
77.33681	0.4
79.05486	1.6
81.03423	1.3
81.07046	0.8
83.04987	1.1
85.02429	0.8
85.02902	9.6
87.04470	7.8
91.05482	4.4
93.07045	2.0
94.04182	2.0
95.04961	1.1
97.02894	8.9
98.22690	1.0
99.04454	0.5
103.05451	2.4
105.07008	4.7
107.04956	1.0
109.02920	0.5
109.06510	0.9
115.03927	10.0
115.05457	1.8
117.07022	1.7
119.04933	1.8
119.08577	1.8
121.06523	2.3
122.03646	4.9
123.04406	0.6
123.08083	0.5
127.03941	1.4
128.06223	1.1
129.06978	1.0
131.04936	1.6
132.05719	1.0
133.04974	9.7
133.06471	3.9
136.07579	0.6
137.05974	100.0
138.06305	3.7
138.09149	0.7
139.03952	0.5
145.04994	1.2
145.06503	3.0
146.06871	0.7
147.04427	7.8
147.08057	1.8
148.27646	0.5
149.05963	5.8
150.07626	3.7
151.07529	0.7
157.06458	0.7
159.08047	2.5
160.05199	0.9
161.05978	16.0
162.06717	2.9
163.06064	0.5
163.07550	1.7
164.07146	0.5
165.05598	0.8
172.05161	0.7
173.05977	1.1
175.07547	28.2
176.07883	1.4
179.07018	1.3
180.08641	1.1
187.07555	6.2
190.07816	1.1
191.08525	3.6
193.08603	7.5
199.07521	2.7
202.07784	0.7
203.08505	1.3
205.08603	4.8
207.08034	0.5
208.08595	0.6
217.08600	1.3
218.07161	0.6
219.08037	6.0
222.06654	0.6
225.09096	0.6
231.07994	2.3
235.07561	0.8
236.08165	1.2
237.08937	0.8
247.07552	3.3
248.08237	1.5
251.10652	9.2
252.11098	0.6
253.08594	0.8
259.07684	1.5
260.08353	0.9
261.08957	1.5
263.10583	0.8
264.07831	1.0
265.08554	0.7
276.07739	0.5
277.08389	1.1
279.10147	8.2
281.08151	0.8
291.10236	2.8
292.10861	0.9
293.10925	0.6
296.10330	0.8
305.11401	0.8
309.11163	1.4
311.12750	23.4
312.12994	2.7
323.12756	7.5
329.13834	5.1
341.13821	8.4
342.14322	1.0
652.26770	0.9
670.29279	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75150	0.9
55.01875	1.4
56.48857	0.8
57.03435	6.1
59.05001	1.1
60.04515	1.3
60.95787	0.8
61.02925	1.3
69.03433	19.7
70.06589	2.2
71.28690	1.1
71.29044	1.1
79.05486	2.2
81.03416	2.1
81.07063	1.4
83.04986	2.3
85.02912	14.0
87.04475	12.0
91.05508	4.2
92.57388	1.0
94.04183	3.4
95.04977	1.5
97.02898	13.8
98.06045	1.0
99.04449	1.8
103.05447	2.1
105.07036	7.7
107.04975	1.0
109.02848	1.2
109.06520	2.4
115.03934	15.1
115.05442	2.0
117.07003	1.3
119.04955	1.7
119.08578	1.7
120.55013	0.8
122.03673	6.1
124.07591	0.9
127.03905	3.1
131.04909	2.0
132.05710	1.0
133.04980	14.8
133.06483	6.1
136.07620	0.9
137.05981	99.6
138.06335	2.6
138.09132	4.5
145.04951	2.0
147.04425	6.0
147.08032	1.7
149.05954	2.0
150.05542	1.2
150.07628	6.0
153.07405	0.9
155.04877	2.3
159.08073	4.2
160.05252	0.9
161.04732	1.5
161.06001	16.4
161.07353	1.1
163.07552	1.9
164.07085	1.4
172.05257	1.3
175.07552	19.1
179.06992	1.7
180.06555	1.1
180.08693	1.7
181.06561	0.9
184.05188	0.9
187.07552	15.8
187.09116	1.4
189.07013	1.8
190.07748	4.7
191.08559	19.9
192.08804	1.4
194.11842	1.6
199.07558	3.0
201.06924	0.8
202.07922	0.9
203.08380	2.7
208.08830	1.7
215.08467	0.9
215.11752	0.9
217.09947	1.0
218.07214	5.5
219.08066	28.2
220.08766	3.5
231.08049	1.9
233.09543	1.8
235.07440	1.6
235.08548	0.9
235.10823	9.0
236.08350	3.7
236.11035	5.6
237.09030	1.2
245.09294	1.1
247.07599	10.5
248.08228	3.2
249.09099	1.0
251.10684	55.8
252.10936	4.1
253.08723	1.0
259.07675	2.4
259.10843	3.1
260.10950	1.2
261.09027	2.8
261.12033	0.9
263.10403	3.4
264.07797	2.5
265.08722	1.3
277.08456	0.9
279.10162	44.8
280.10611	3.7
281.08130	1.9
287.10330	1.7
288.10645	1.3
291.10309	4.4
292.10947	1.5
296.10428	3.1
305.11502	5.8
306.11755	4.6
311.12772	100.0
312.13141	8.9
323.12817	12.1
329.13748	1.0
339.36334	0.8
341.13773	4.4
380.19650	1.2
381.19940	2.4
426.20184	2.6
427.20538	4.0
444.21191	1.8
445.21500	5.7
474.22205	3.2
475.22623	8.3
476.22476	1.3
589.26282	0.9
622.77948	1.0
624.26538	0.9
640.26703	1.5
670.27948	5.0
671.28821	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61238	1.3
53.03949	1.6
53.71679	1.3
55.05510	30.3
57.03437	7.3
57.07075	22.5
61.02925	20.4
67.05499	14.9
69.03418	3.7
69.06625	10.7
69.07059	48.4
71.05003	2.3
71.08633	15.3
73.02914	7.5
75.04482	2.8
79.05486	10.0
81.03426	2.2
81.07050	25.2
83.04984	1.5
83.08147	2.7
83.08619	46.7
85.02905	23.0
85.10184	7.1
91.03947	18.5
91.05469	3.6
91.23676	1.3
93.07051	14.1
94.28571	1.5
95.04950	1.7
95.08610	15.0
97.02879	9.5
97.06562	8.1
97.10164	35.1
99.04417	1.9
99.08128	1.7
105.07018	2.5
107.08598	13.7
109.10139	9.2
111.08092	3.7
111.11714	12.9
117.07034	1.6
121.10143	24.8
123.11692	5.2
125.09663	4.2
125.13273	3.1
127.03917	8.5
129.09123	1.6
133.74535	1.2
134.38112	1.3
135.11678	15.9
135.59587	1.3
137.13220	4.6
139.11168	3.5
143.10666	2.0
145.04927	9.5
149.13275	8.6
153.12737	2.6
163.06001	16.3
163.14822	4.8
167.14299	2.2
171.11705	1.4
171.13641	1.5
181.15884	2.1
185.15401	2.2
198.90125	1.5
206.68034	1.4
219.21069	27.3
237.22141	35.0
238.22414	1.6
255.23192	32.3
256.23459	2.0
311.25784	100.0
312.25900	6.5
329.26822	31.2
330.27072	1.8
410.15457	1.4
446.76700	1.4
455.30603	1.6
473.31021	8.1
579.25336	2.0
607.25128	2.0
620.22845	1.7
621.21497	1.8
639.26556	4.0
652.24243	5.8
653.26038	2.0
670.28381	7.6
670.39368	2.9
671.29443	8.4
671.42120	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	670.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	30.1
57.03432	10.4
57.07082	16.1
61.02926	31.5
67.05505	39.8
67.05839	3.1
69.03430	3.5
69.07069	39.6
69.68240	10.3
71.08634	7.8
73.02914	10.8
75.04484	2.2
79.05493	21.7
80.41702	1.7
81.03406	4.0
81.07058	51.9
82.07406	2.3
83.08615	40.3
85.02908	32.6
85.10192	3.1
90.69617	2.1
91.03946	27.2
91.05470	4.9
93.07034	26.2
95.08604	32.0
97.02889	13.7
97.06522	12.7
97.10165	26.6
98.14178	2.2
98.23276	2.9
99.04480	2.3
99.08099	3.3
99.09341	1.8
105.07052	2.2
107.08597	23.7
109.10165	15.5
111.08079	7.1
111.11724	4.5
111.86591	2.0
113.08186	1.9
115.03941	2.5
121.10146	53.6
122.10484	2.5
123.11703	21.2
125.09642	6.9
125.13295	2.6
127.03953	7.9
135.11696	40.3
135.12688	2.9
137.13228	10.2
139.11194	4.4
142.97090	2.0
145.04976	12.7
149.13225	16.4
163.06015	20.5
163.14879	7.2
167.14314	2.7
177.16364	2.3
181.93636	2.0
213.91188	1.9
219.21085	54.8
228.32259	1.9
234.48326	2.1
237.22130	100.0
238.22505	6.8
255.23187	29.7
265.01947	2.0
311.25793	93.4
312.26349	7.8
329.26862	60.8
329.30600	3.9
330.27243	4.8
405.88632	2.2
423.79300	2.5
473.31030	5.7
549.39337	2.3
625.60217	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93605	1.3
53.03946	2.3
55.05507	25.8
57.03428	4.8
57.07082	12.4
61.02925	26.6
65.18383	1.3
67.05506	33.6
69.03408	3.5
69.07067	34.0
70.34113	1.4
70.34458	3.9
71.05003	2.4
71.08636	8.3
73.02911	11.1
75.04465	1.8
79.05494	22.8
81.03420	2.2
81.07053	47.4
81.89581	1.3
82.07365	1.7
83.04977	2.5
83.08617	31.9
84.08926	1.2
85.02901	29.3
85.10165	5.4
87.04507	1.4
87.76741	1.3
90.91422	1.6
91.03961	21.1
91.05473	8.2
93.07048	27.3
95.08609	31.6
96.72375	1.6
97.02902	15.6
97.06505	11.8
97.10164	20.4
99.04478	2.5
99.08121	2.4
105.07037	2.8
107.08585	22.3
109.02930	2.2
109.10143	16.5
111.08060	8.4
111.11713	2.9
115.03894	2.2
117.07014	2.0
119.08579	2.2
121.10140	48.3
123.11706	13.7
125.09613	1.7
127.03927	10.3
129.06944	1.4
131.08537	1.9
133.10129	1.7
135.11693	37.1
137.13214	7.6
139.11194	6.1
145.04932	13.1
149.13264	13.2
153.12741	3.2
157.12317	1.7
163.06039	20.9
163.14819	5.9
175.52325	1.7
177.16393	3.2
185.15245	1.9
203.22151	1.3
203.59950	1.7
219.21085	46.0
220.21446	2.8
237.22134	100.0
238.22440	5.8
247.02815	1.4
255.23141	21.9
299.14777	2.6
311.25781	56.8
311.29413	2.9
312.26233	3.0
329.26865	63.7
330.27155	5.3
405.16849	1.4
420.19580	1.6
450.20016	3.5
536.23218	2.8
564.23193	3.9
610.23358	1.6
621.23016	1.5
624.25189	1.9
638.26105	2.8
639.25403	1.9
652.24713	11.4
653.25293	4.6
670.25793	28.2
670.37836	2.3
671.26654	4.0
671.41376	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	670.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.5
53.81070	2.3
55.05516	34.1
57.03435	11.7
57.06836	2.5
57.07080	15.3
57.07313	2.4
58.68430	2.3
61.02929	26.7
67.05508	48.5
69.03436	4.9
69.07070	48.0
71.04999	3.7
71.08637	8.2
71.29157	4.2
73.02914	10.7
79.05495	29.9
79.17067	2.1
81.03398	5.4
81.07060	57.8
83.08620	40.2
85.02905	36.1
85.06558	3.1
85.10190	4.9
91.03947	25.4
91.05461	5.9
93.07042	26.2
95.08609	41.8
97.02872	16.6
97.06530	12.9
97.10184	26.2
99.08068	3.7
107.08588	20.3
109.02829	2.5
109.06514	2.8
109.10152	18.1
111.08099	8.0
111.11719	3.2
117.07001	2.8
121.10146	44.1
123.11699	15.9
125.09657	5.8
127.03899	9.0
129.05571	2.6
131.08633	3.5
135.11702	33.9
137.13263	7.2
145.04956	12.5
145.10179	2.8
149.13225	16.7
150.76848	2.4
157.45322	2.5
163.06020	22.1
163.14830	6.7
177.16438	2.8
219.21072	47.3
220.21384	2.9
237.22121	98.1
238.22464	7.1
255.23207	20.0
259.10361	2.9
311.25797	100.0
312.26208	5.1
329.26843	61.7
329.30594	3.9
330.27036	3.2
462.19403	2.8
473.31247	4.8
670.26764	2.9
671.27643	5.4
671.41772	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	670.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
55.05482	1.5
57.03439	4.3
57.07073	4.4
58.06602	27.5
58.76119	0.3
59.07386	7.7
59.52006	0.4
60.08166	6.6
60.54947	0.3
65.62406	0.4
67.05506	2.7
69.02198	0.9
69.02599	2.0
69.03426	0.5
69.07034	1.5
71.08636	3.1
73.02872	0.5
75.04482	2.3
75.04815	0.4
79.05460	1.4
81.07056	3.4
83.08587	1.0
84.08108	1.7
85.02909	2.3
85.10136	1.5
87.04470	3.1
91.05482	1.8
93.00087	0.5
93.07030	0.9
95.04951	0.4
95.08604	2.0
97.10136	0.7
98.23372	0.7
100.11250	0.8
102.05535	0.6
103.03902	0.5
105.05486	0.9
105.06992	1.3
105.20575	0.5
107.08584	0.8
109.10167	2.9
113.05952	1.2
119.08508	0.4
121.10092	0.5
130.08604	0.8
131.07013	1.6
133.10095	1.7
144.10196	14.0
151.11168	0.6
154.62575	0.4
162.11266	4.6
200.12799	0.9
218.13890	1.0
226.26454	0.4
236.14923	89.7
237.15266	3.3
241.76471	0.4
313.27435	1.0
369.30151	0.5
396.23709	1.1
412.38010	1.0
414.24872	7.6
415.25180	0.7
432.25903	6.8
456.36884	6.3
457.37527	0.7
471.41904	0.5
474.37921	16.5
475.38226	1.1
652.48126	3.7
653.47614	0.5
670.48840	100.0
671.49182	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	671.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05531	1.0
57.07067	1.8
57.07432	0.8
67.05515	3.1
69.07068	1.4
69.64315	1.6
69.64668	3.4
71.08647	1.7
79.05493	2.1
81.07063	1.9
83.08627	1.0
83.36570	1.0
91.05462	0.9
93.07059	1.5
95.04971	18.9
95.08621	2.4
96.05315	1.4
98.22681	1.5
125.09676	0.9
141.04359	0.9
176.15407	0.8
205.91258	0.9
221.07683	0.9
236.14961	3.3
237.14871	0.9
247.28569	0.9
265.39026	0.9
313.27332	4.0
314.27771	1.5
398.15369	1.0
399.16193	2.0
406.27280	1.0
411.16223	1.0
412.16806	1.8
413.17603	2.7
414.18237	1.4
425.17908	1.3
427.19400	1.7
428.20288	1.4
429.21274	1.1
434.13388	1.2
441.16724	1.1
443.18344	1.1
448.14291	1.2
449.15433	2.8
455.18738	1.8
463.17203	1.7
464.17551	1.2
469.20612	1.6
476.13885	1.8
478.15247	2.8
479.16245	2.9
483.17709	1.4
484.18677	1.0
485.19727	2.5
491.16309	3.2
492.17001	2.3
497.19489	2.8
505.17706	3.6
506.18884	2.2
507.15912	3.1
518.14551	1.1
519.15680	3.5
520.16498	3.7
521.16766	1.2
522.43427	1.1
527.21472	1.1
529.22229	1.3
533.17316	5.7
534.17993	2.5
537.20282	1.8
547.14795	0.9
550.17383	1.3
551.18384	1.2
557.22064	1.5
561.16772	1.8
565.19836	5.0
579.17499	1.2
593.19513	55.0
594.19714	8.3
618.43835	1.6
621.19073	16.2
622.18793	1.3
653.21594	100.0
654.21967	15.4
670.50629	2.9
671.22418	1.4
671.48773	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	6.2
57.03444	2.6
57.07076	6.5
57.68901	1.8
58.06598	13.0
59.07399	2.3
60.08181	2.8
67.05493	10.2
68.05848	2.0
69.07079	5.1
71.04984	2.1
71.08620	2.7
71.27070	1.7
79.05504	6.7
81.03394	2.0
81.07066	8.3
83.04993	3.5
83.08618	4.3
88.70020	1.7
91.04959	1.7
91.05503	7.2
93.07047	6.8
95.04984	3.8
95.08619	7.3
97.06508	1.9
99.02682	5.9
105.07056	5.8
107.08629	3.8
109.06538	1.8
109.10158	3.7
117.07053	3.0
119.08599	4.8
121.10177	4.0
123.08113	2.0
124.79343	1.8
133.10165	3.9
135.11745	2.7
137.87958	1.8
144.10245	3.6
147.11745	3.3
150.12779	2.0
162.11275	2.5
175.01620	3.5
179.14368	2.7
197.00325	3.1
205.16003	2.3
222.29022	1.8
229.10306	1.9
236.14963	24.9
266.38727	2.1
311.25830	3.2
329.09808	2.1
385.15921	3.0
389.17618	3.2
390.18436	2.7
391.19226	8.1
399.16278	4.6
403.19354	2.9
405.20837	4.7
406.21304	2.1
407.21561	1.9
411.15994	4.2
412.16650	4.5
413.17599	6.0
414.18298	3.0
415.19458	4.5
426.18481	5.3
427.19830	11.2
428.19888	8.8
435.38007	2.2
441.20578	8.5
442.21439	7.1
444.19241	4.7
445.21008	2.8
446.21368	2.5
454.17041	2.9
455.18591	6.1
456.19528	2.9
457.20251	3.9
469.20288	8.7
470.20963	5.3
471.18518	7.0
472.18549	3.6
473.19760	8.4
474.20380	2.3
474.38089	3.1
475.38751	2.2
482.17380	3.1
483.17621	2.5
484.18747	6.0
485.19025	3.1
487.21249	3.6
491.24738	2.5
497.19778	15.0
498.20853	10.7
501.18546	2.4
515.20532	2.3
516.21722	2.3
525.19330	7.6
529.22131	6.2
530.23029	2.2
541.22894	2.6
549.24847	2.5
557.21851	100.0
558.22266	10.2
565.20050	4.6
575.22333	2.9
585.21558	26.5
586.21088	3.0
593.10870	3.1
593.19543	31.1
594.19720	6.9
595.29224	3.9
617.24005	39.6
618.23944	7.6
621.19208	5.6
635.24872	10.2
636.26031	3.5
653.21637	80.4
654.21802	12.8
670.48743	24.3
671.22278	12.5
671.49225	15.1
672.50562	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	671.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.6
57.03425	1.9
57.07079	1.9
58.06599	13.7
59.07379	2.7
60.08156	4.7
67.05489	3.4
69.07080	1.8
69.65489	4.4
79.05478	3.0
81.07052	3.5
83.08595	1.5
87.04474	1.5
93.07037	1.3
95.08614	2.4
98.22640	1.3
105.07036	2.5
107.08585	2.2
109.10147	2.6
111.51738	1.3
116.66317	1.0
126.75373	1.1
132.08066	2.3
133.10095	1.1
144.10204	5.7
145.10437	1.2
162.11157	1.5
170.08351	1.5
171.09268	2.0
172.09904	2.6
183.09213	1.9
196.67343	1.2
197.10843	1.6
199.08618	1.4
209.10756	2.2
213.06639	2.2
215.11708	2.7
219.09093	1.3
223.12209	1.1
225.10144	1.3
232.09720	1.2
233.10609	1.7
235.12254	1.4
236.12662	2.1
236.14919	27.1
236.17276	1.6
237.10229	5.5
237.15259	6.3
238.15515	1.2
243.11292	11.0
245.10602	1.3
247.12086	2.9
249.10269	2.8
250.10947	1.2
251.11781	2.4
259.12128	1.2
261.10254	2.8
263.11847	7.0
265.13086	2.1
272.11926	1.2
274.10974	1.5
275.11774	2.7
277.13007	1.5
287.11652	1.8
288.12234	1.4
289.13242	2.3
290.13828	2.6
291.11264	2.0
291.14700	1.3
292.11325	1.4
300.11310	1.2
302.12918	2.1
304.14545	2.8
306.13531	2.6
307.14352	2.7
309.15973	1.7
311.10416	1.2
314.12939	1.7
316.10910	1.4
316.14392	1.8
321.15988	5.8
326.13037	1.9
330.12503	2.2
332.13736	3.8
333.14767	7.5
335.17792	1.5
337.15402	3.4
346.15341	2.2
349.15253	2.3
350.16690	1.4
351.16370	1.4
361.14853	2.5
363.16254	2.5
364.17294	1.4
365.17941	2.1
372.13434	1.9
376.17154	1.7
379.15262	2.5
379.19534	1.4
380.16257	2.5
389.17749	2.3
391.15460	3.8
392.15717	1.7
393.16989	4.8
394.17807	1.8
395.18622	2.5
397.17398	3.1
403.15482	1.8
404.16882	1.6
405.17056	3.6
406.18140	2.1
407.18527	4.0
408.19403	2.3
409.20139	4.0
410.18875	1.3
416.15735	2.7
417.16913	3.4
418.18146	1.7
419.18622	3.8
420.19955	1.5
421.20068	5.2
423.17227	2.2
431.18402	3.6
432.25656	1.6
433.15750	1.6
434.17050	1.5
435.17938	5.1
436.18893	4.2
437.19690	18.4
438.20190	3.7
447.18146	3.7
448.18793	2.6
449.19815	10.2
450.20483	9.4
451.21362	6.6
453.23120	2.1
460.18744	2.1
461.19742	2.6
463.21143	4.4
464.22440	7.3
465.18695	2.7
468.17590	6.7
474.37866	1.8
475.21603	13.8
476.18320	2.3
477.19040	4.8
479.20367	2.4
480.21927	2.1
481.22305	3.3
482.22757	1.8
490.19626	3.2
491.20749	10.8
492.21582	6.3
493.22723	5.7
496.24930	1.5
500.39117	1.7
507.19186	9.9
508.24847	3.6
509.21362	13.4
510.22433	5.1
519.20386	3.3
522.22546	25.0
523.23413	18.0
524.24170	22.0
525.25104	10.4
533.21588	4.4
534.22205	1.5
535.23578	5.9
536.23712	2.4
539.26288	3.3
540.27081	2.1
549.24939	1.9
551.22925	37.9
552.23425	11.0
553.24268	1.7
567.26282	8.9
579.22180	5.3
580.22272	1.5
584.25787	4.1
595.25616	7.8
596.25238	2.8
597.23303	6.0
609.26801	6.4
611.24939	100.0
612.25403	16.8
621.23260	2.2
627.28076	29.1
628.28314	4.4
639.24402	74.9
640.24579	18.1
670.48529	14.9
671.28094	4.7
671.49261	20.9
672.49493	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	671.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.3
56.09693	0.3
56.36651	0.3
57.03424	0.4
68.62943	0.4
69.07059	0.7
71.81356	0.3
79.05511	0.5
81.03407	0.5
81.07057	0.5
91.05486	0.9
93.07058	1.1
95.08595	0.7
105.07052	0.3
109.02885	0.9
119.08609	0.5
133.10231	0.5
163.11281	0.5
185.04294	0.5
203.05324	1.2
259.07941	1.2
305.08521	0.8
347.09396	1.6
365.10532	4.2
421.13123	1.0
466.53998	0.3
509.27243	12.9
510.27484	1.0
671.32471	100.0
672.32758	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	671.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16499	0.5
52.57655	0.5
55.05507	0.5
57.03426	0.8
57.07079	3.4
62.85857	0.6
67.05511	1.5
69.07067	0.9
69.13528	3.6
71.08636	2.6
72.14143	0.4
79.05517	1.0
81.07064	1.9
83.08626	0.7
83.27669	0.5
85.10189	1.3
89.06046	0.6
91.05501	1.0
93.07046	0.5
95.08586	2.5
97.10172	0.8
102.59704	0.5
105.07059	0.5
109.10170	0.7
117.92879	0.5
159.11877	0.6
272.27609	0.5
306.29752	0.5
311.64566	0.5
313.27423	1.7
314.27124	0.5
359.21939	9.9
360.22253	0.9
387.82715	0.5
415.24493	5.5
429.22513	0.6
536.43420	0.6
557.37677	0.7
671.48547	100.0
672.48907	18.3
672.60272	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84650	1.0
51.68490	0.9
53.03944	2.3
54.69392	1.0
55.05517	8.0
57.03447	9.5
57.07078	52.8
59.58256	0.9
60.29258	0.9
61.02932	13.7
67.05174	1.8
67.05508	18.5
67.98936	0.9
69.03436	14.4
69.07073	11.8
69.07871	0.9
69.33721	5.7
71.04989	2.5
71.08634	44.6
73.02918	6.9
75.04486	5.6
79.05501	2.9
81.03423	9.4
81.07058	27.8
83.08619	18.5
83.54707	1.0
85.02905	36.7
85.06566	1.1
85.10185	22.4
86.03237	1.5
91.03952	16.6
91.05479	1.8
93.05520	24.0
93.07019	1.9
95.08607	37.4
96.08938	1.3
97.02890	21.3
97.10162	10.5
98.23453	1.3
99.04465	4.3
99.08051	1.0
103.03962	1.2
109.02873	7.5
109.10163	18.1
111.11731	1.4
123.11725	6.8
125.13286	1.6
127.03925	24.0
137.13248	3.6
139.14790	1.4
142.31274	1.0
145.04968	21.7
151.14812	1.5
163.06029	19.8
165.16374	1.2
239.23701	40.2
240.23930	1.5
243.41698	1.1
255.10814	2.6
257.24716	2.4
268.14609	1.1
329.26859	2.7
341.26962	1.8
383.27902	34.1
384.28336	2.8
401.28967	100.0
402.29327	7.8
423.61087	1.1
672.28058	1.3
672.43311	1.6
673.39484	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	7.3
55.05525	37.9
56.95303	5.8
57.03438	18.6
57.07080	54.4
67.05508	100.0
69.07059	27.4
71.05000	10.7
71.08283	4.3
71.08631	30.4
79.05495	39.2
81.07060	61.1
83.04961	5.7
83.08616	28.4
85.06534	9.1
85.10183	19.5
91.05482	35.5
93.07058	41.0
95.04988	4.9
95.08598	51.5
96.29016	4.2
96.73149	4.0
97.06535	4.5
97.10165	28.6
99.57735	5.8
105.07063	25.1
107.08582	31.2
109.10149	61.8
111.08114	8.9
115.10490	4.7
117.07079	11.6
119.08620	17.6
121.10127	12.5
123.11705	6.1
125.09660	18.9
131.08571	11.1
133.10106	11.5
135.08093	6.8
135.11697	5.8
145.10109	7.5
159.11696	10.2
173.11740	8.8
189.11234	13.6
227.12811	35.4
229.14333	35.2
269.17542	6.2
275.20108	16.7
313.27411	69.4
314.27536	4.9
349.23779	9.3
381.45682	5.2
399.23682	14.8
467.37277	33.8
483.36307	7.2
507.40497	43.5
547.43787	39.4
552.64746	4.9
587.45917	7.9
637.46411	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	672.5407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.1
55.05516	12.7
57.03444	3.7
57.07076	23.7
67.05506	31.3
68.97240	6.6
68.97665	6.2
69.07066	13.9
71.05001	7.7
71.08634	19.5
79.05492	17.5
81.03419	1.6
81.07058	35.4
81.61375	1.6
83.04987	2.3
83.08629	10.5
85.06528	2.5
85.10178	10.0
89.06042	3.1
91.05483	12.8
91.50598	1.5
92.05814	1.9
93.07056	23.2
95.05003	1.8
95.08605	25.3
95.89194	1.6
97.06525	6.8
97.10178	9.0
99.08082	1.7
105.07027	11.2
107.08604	13.2
109.06554	2.4
109.10159	13.0
111.08064	3.2
117.07016	4.7
119.08591	8.0
121.10149	6.0
123.11707	4.5
125.09615	4.4
131.08554	6.7
133.08636	1.6
133.10114	6.5
135.07997	1.9
135.11674	3.7
145.10138	5.8
147.11685	4.4
149.09650	2.9
149.13219	3.2
151.11163	1.7
159.11679	5.5
161.13232	1.6
163.11188	1.9
173.13255	1.9
177.12717	2.5
183.11816	1.7
189.11186	2.3
195.13789	3.4
227.12756	9.3
229.14380	4.2
229.19604	1.6
229.68149	1.7
239.23834	2.1
257.18942	2.4
275.20129	12.5
293.21268	1.6
313.27368	20.2
349.23676	10.1
360.92847	1.7
467.37296	2.0
491.40576	1.6
507.40448	100.0
508.40778	12.1
531.12653	1.9
587.46741	10.7
588.46417	2.8
619.49158	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	673.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36565	0.4
53.60088	0.4
54.54877	0.4
57.15385	0.4
67.05489	0.6
68.99043	4.3
70.06580	0.5
74.31631	0.5
80.05019	1.1
81.07047	0.5
85.02900	0.7
91.05488	0.9
95.06088	2.0
95.08636	0.5
98.22571	0.8
109.18827	0.5
119.04942	0.8
131.08543	0.5
132.28203	0.5
147.04395	1.7
166.08682	0.9
174.10289	2.4
217.16887	0.5
278.46439	0.5
291.06525	0.6
319.06180	1.0
464.12131	11.6
465.12314	0.6
492.14893	1.0
506.13092	0.6
507.14026	17.1
508.14676	2.1
510.15811	1.7
627.21454	0.8
655.21368	2.7
673.22565	100.0
674.22943	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	673.263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.9
56.50219	0.4
57.03452	0.8
57.07076	10.5
58.06602	3.8
59.07387	1.3
60.08164	1.1
67.05510	1.5
69.07072	2.2
71.08633	10.0
72.08929	0.6
73.06557	2.9
75.33414	0.4
79.05502	1.8
81.03432	0.8
81.07072	1.8
83.04977	0.5
83.08638	2.8
85.10188	5.2
87.04475	3.1
89.06036	31.2
90.06365	1.8
91.05502	0.7
93.07057	1.3
95.08610	1.3
97.10185	1.8
98.98489	1.2
99.11738	0.7
107.04965	0.8
107.07072	0.8
109.10188	0.7
111.11729	0.9
117.06992	0.5
117.09152	2.1
119.08618	0.5
121.10178	0.6
127.14848	0.6
131.07034	1.1
133.08606	14.9
133.10138	0.8
134.08969	1.1
144.10245	1.5
145.10161	0.8
163.11229	0.8
165.76202	0.5
175.09717	0.6
177.11214	6.1
197.22734	1.0
201.48787	0.5
227.13004	0.5
236.14912	6.8
237.15213	2.3
237.65775	0.5
238.15588	0.8
276.36957	0.5
285.27979	1.4
286.28214	0.6
298.96124	0.5
311.26035	0.6
328.76041	0.5
329.30511	0.7
434.27457	0.7
456.37180	0.5
474.38229	1.0
475.38446	0.6
476.38492	0.8
497.19308	0.5
501.36087	0.6
502.38443	0.5
523.17548	2.8
524.17877	0.9
541.18524	4.8
542.19617	0.7
555.19885	0.9
556.20862	1.8
559.23395	0.7
581.21106	0.6
594.97656	0.5
595.18719	0.7
599.23022	1.3
640.47656	1.1
641.47986	0.6
642.24890	4.1
643.25153	1.5
655.50403	0.6
672.49829	7.0
673.26300	100.0
673.49945	5.6
674.26617	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	673.3402
Annotation	(-)-Flexicorine
Peak:m/z	Relative Intensity
51.11225	0.3
51.13464	0.4
55.05508	0.5
67.05499	1.5
69.03394	0.4
69.07067	0.6
69.17447	0.9
69.17854	2.9
79.05495	1.8
81.03436	0.6
81.07066	1.4
81.67964	0.4
87.33624	0.4
91.05476	1.5
93.07063	0.9
95.04988	0.6
95.08633	0.8
97.06534	0.5
97.10159	0.4
105.07032	0.8
117.07018	0.4
119.08582	0.7
119.90997	0.4
133.10092	0.5
203.05284	1.4
203.32610	0.4
259.07773	0.9
285.12823	0.4
290.43811	0.4
293.19681	0.6
347.09433	1.0
365.10608	1.9
421.12943	1.0
511.28748	18.1
512.28894	1.3
605.23785	0.8
655.27161	0.8
673.33862	100.0
674.23334	0.8
674.34277	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	674.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.5
55.01873	14.4
55.05513	27.5
57.03439	22.9
61.02930	11.2
65.03956	3.4
67.05504	53.8
69.03425	8.4
69.07063	13.4
71.05003	5.0
73.02894	2.5
77.03961	1.6
79.05491	71.2
80.05011	3.6
80.05853	1.6
81.03415	24.7
81.07056	38.4
83.01354	10.7
83.04981	10.0
83.08618	12.6
85.02910	13.8
85.06567	3.0
91.03961	5.0
91.05479	88.6
92.05808	2.3
93.07040	56.2
95.04969	26.4
95.08599	15.2
97.02905	10.3
97.06544	7.1
97.10178	18.1
97.67415	1.8
99.04472	4.4
103.05499	2.0
105.03416	1.9
105.04498	2.4
105.07026	24.5
107.04958	20.5
107.08594	50.1
107.23734	1.9
109.02878	2.9
109.06527	7.6
109.10160	13.9
111.04435	5.5
111.08086	5.9
115.05474	7.7
117.07013	70.1
118.07346	3.6
119.08584	11.5
121.06512	9.2
121.10145	8.9
123.04475	3.2
123.08072	5.2
124.07602	8.0
125.05954	2.1
125.09633	21.5
127.03934	2.5
129.07007	4.4
129.47707	1.9
131.04895	1.9
131.08583	13.3
133.06512	3.0
133.10139	9.7
135.08055	69.2
135.11717	6.1
136.08427	2.2
137.09621	3.8
141.06972	2.7
143.08623	3.6
145.06429	3.4
145.10085	10.0
147.08107	2.1
147.11679	2.2
149.09584	4.8
149.13269	4.0
151.11191	2.7
153.09065	6.0
157.10228	2.4
159.11646	9.0
161.09601	3.0
163.07503	10.5
163.11198	6.7
169.10118	3.5
171.11613	2.6
177.12762	4.2
181.08606	5.1
184.00294	1.7
184.07407	3.0
187.11209	5.1
189.11143	9.7
199.09572	3.3
205.12276	7.0
207.13911	2.2
213.14830	1.9
223.11072	3.9
223.13280	64.0
224.13602	3.8
227.12793	17.4
229.14325	4.5
233.15355	2.0
255.12271	100.0
256.12637	6.5
269.13858	5.8
269.17487	3.0
279.15976	2.3
283.15384	12.9
297.16968	77.7
298.17236	5.8
367.22693	4.8
385.23663	9.6
403.24823	3.1
409.22330	7.2
425.21674	3.4
438.82172	1.8
459.27689	27.1
477.24106	84.6
478.24365	9.5
495.26025	2.0
587.27997	3.4
639.30560	2.3
674.22424	11.1
674.35199	2.1
675.27002	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	674.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.1
55.01873	15.5
55.05511	35.1
57.03437	28.8
57.07082	2.8
59.04991	3.8
61.02929	10.8
65.03947	4.4
67.05505	70.7
69.03423	11.2
69.07068	32.7
71.04982	8.0
73.02914	4.1
79.05497	90.1
81.03414	31.1
81.07057	62.3
81.45186	1.8
83.01332	11.5
83.04988	23.0
83.08612	21.6
85.02909	24.6
85.06534	3.6
91.03963	5.8
91.05479	71.5
92.05823	2.6
93.07043	70.1
95.04972	34.4
95.08611	22.0
97.02887	11.8
97.06541	20.5
97.10182	14.8
99.04447	3.3
99.08123	1.8
103.05487	3.0
105.04500	2.2
105.07033	31.9
107.04963	23.2
107.08595	42.6
108.08993	1.7
109.02866	4.0
109.06500	11.7
109.10148	18.2
111.04445	9.4
111.08067	9.0
115.05466	5.4
117.07018	34.5
119.04926	2.4
119.08595	17.5
121.06529	12.9
121.10133	26.4
123.04395	3.4
123.08097	9.4
124.07578	11.9
125.05977	5.4
125.09650	14.3
127.03899	3.2
128.06268	2.0
129.06989	9.0
131.04944	2.5
131.08557	31.1
132.08911	2.4
133.06485	6.0
133.10135	19.2
135.04428	3.1
135.08043	33.1
135.11684	13.3
137.09602	5.3
141.07042	2.7
143.07004	13.1
143.08589	3.9
145.06506	6.0
145.10135	19.9
147.04347	3.1
147.08057	5.5
147.11697	4.3
149.09615	19.7
149.13306	3.4
151.11160	4.9
153.09117	6.5
153.12758	4.8
155.08543	3.9
157.06496	3.0
157.10149	6.0
159.08061	6.0
159.11702	7.3
161.06099	1.9
161.08064	2.9
161.09729	3.1
163.04008	1.8
163.07524	2.7
163.11172	25.9
171.11682	3.6
173.09639	6.2
177.09126	7.1
177.12842	1.8
181.12241	6.7
184.07336	4.8
187.11101	2.5
189.11188	8.0
191.10721	4.5
193.12231	5.0
195.10147	23.6
195.11771	3.0
197.13414	2.0
199.09669	8.6
201.11159	2.0
205.12196	3.8
209.11749	7.4
223.11261	3.1
223.13245	19.2
227.12788	10.9
233.15359	4.1
251.12685	2.5
255.12234	38.9
269.13824	61.7
269.17438	6.2
270.14200	4.3
273.14905	2.3
283.15393	66.4
284.15692	5.0
297.16946	19.9
339.23141	2.6
357.24213	4.6
367.22504	11.6
372.26443	2.2
377.18875	2.1
385.23721	27.6
403.24634	5.2
409.22232	12.2
425.21692	2.8
431.28027	2.9
459.27484	100.0
460.27673	8.5
477.24423	49.3
477.28778	41.7
478.24341	4.5
478.29703	3.5
488.88214	2.1
495.29367	6.3
674.23065	15.1
675.25690	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	674.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78283	1.6
53.03943	4.1
55.01868	5.8
55.05514	25.2
57.03440	9.5
61.02924	4.0
65.03961	2.5
67.05504	41.5
68.96668	1.4
69.03422	5.1
69.07068	13.7
71.04976	4.8
71.30809	2.3
73.02888	1.8
79.05064	3.0
79.05492	35.1
80.05804	1.9
81.03423	13.4
81.07056	34.8
83.04985	11.8
83.08617	15.2
85.02907	6.4
85.06557	2.6
86.09699	6.8
88.12937	1.5
90.34109	1.4
91.03957	1.9
91.05482	33.2
93.07042	30.5
95.04964	16.4
95.08604	14.0
97.02910	5.1
97.06512	8.4
97.10174	17.2
99.04453	2.6
103.05475	3.3
105.07039	21.7
107.04955	11.4
107.08588	24.2
109.02867	3.0
109.06519	4.7
109.10156	16.1
111.04443	7.3
111.08129	4.2
115.05410	3.1
117.07019	17.9
119.08609	12.2
121.06522	6.2
121.10129	11.5
123.04410	2.2
123.08041	2.7
123.11673	1.4
124.07633	7.7
125.00008	6.6
125.06001	2.4
125.09619	15.5
127.03953	3.5
129.06966	7.7
131.04994	2.4
131.08594	16.8
133.06461	3.3
133.10121	13.9
134.10500	2.3
135.08031	8.6
135.11699	9.1
139.07442	1.8
141.07013	2.6
143.07062	3.3
143.08514	4.2
145.06490	4.3
145.10118	11.6
147.11700	4.2
149.09642	4.8
149.13258	3.0
151.11200	4.9
152.94400	1.6
153.09148	4.2
153.12665	4.2
155.08540	5.3
157.06476	1.8
157.10143	4.5
159.08105	2.4
159.11726	4.6
161.06134	2.4
161.09598	3.4
163.11200	14.0
167.08560	2.3
169.10149	3.0
171.10190	1.9
171.11665	3.7
173.09647	6.6
173.13258	1.8
175.03848	3.0
175.11201	2.6
177.09111	1.6
181.10214	3.1
181.12238	2.3
183.11618	1.8
184.07335	19.8
185.09705	2.1
189.09378	1.4
189.11255	9.0
191.10678	3.0
193.12277	4.6
195.10156	3.6
195.11777	3.5
195.13628	2.0
197.13322	4.1
199.11273	2.8
203.14461	2.4
209.11711	4.5
213.12744	1.5
215.14331	5.2
223.13229	4.8
227.12737	10.0
233.15382	6.9
253.14287	2.6
258.54495	1.6
269.13760	6.9
269.17477	6.8
273.14905	2.9
283.15378	13.6
321.22122	1.8
327.19470	2.4
339.23242	4.3
349.21542	2.8
353.17032	1.9
357.24304	5.0
361.20248	1.8
367.22665	12.8
385.23740	32.4
386.24191	2.7
403.24738	5.6
431.28104	2.4
441.26779	2.3
445.21548	2.6
449.30176	2.1
459.27408	100.0
460.27689	10.6
463.22977	1.8
477.29074	76.0
478.29706	7.5
487.17267	1.8
495.24881	1.9
495.30209	3.1
513.17645	2.4
588.62286	1.8
657.25977	1.9
674.22906	13.3
675.25830	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.7
55.01875	7.0
55.05516	18.2
57.03436	6.7
61.02929	4.8
64.16931	1.1
65.03928	1.4
67.05507	33.3
69.03433	5.2
69.07067	9.9
70.43570	2.2
71.04991	3.8
73.02893	1.8
77.45818	1.2
79.05492	27.9
80.04996	1.7
81.03419	10.4
81.07059	30.0
83.01346	1.8
83.04978	9.5
83.08632	11.3
85.02913	4.3
85.06531	2.7
91.03981	1.9
91.05484	27.2
93.07046	29.6
95.04964	16.2
95.08608	11.7
97.02891	4.6
97.06535	7.0
97.10168	14.3
99.04453	1.9
103.05493	1.7
105.04510	1.2
105.07039	15.5
107.04966	9.5
107.08594	23.2
109.02913	1.4
109.06531	4.9
109.10155	12.0
111.04444	5.6
111.08088	3.6
115.05463	1.5
117.07024	14.6
119.08585	10.7
121.06498	5.6
121.10148	7.4
123.04408	1.6
123.08089	4.6
123.11668	1.5
124.07590	7.7
125.05972	1.3
125.09628	10.5
129.07028	5.1
131.08563	11.0
133.06490	3.9
133.10146	13.3
135.04445	1.6
135.08069	9.9
135.11678	6.1
137.09619	2.4
139.07513	1.3
141.06989	1.7
143.08586	3.5
145.06516	3.6
145.10114	10.8
147.08061	2.6
147.11694	2.7
149.09619	3.1
149.13280	3.7
151.11171	4.3
153.09125	2.6
153.12776	4.3
155.08562	3.5
157.06476	1.5
157.10138	2.3
159.08078	2.7
159.11714	3.8
161.09595	1.9
163.11182	8.3
169.10106	2.6
171.08104	1.2
171.10196	1.3
171.11705	3.1
172.94862	1.1
173.09642	3.2
175.07524	1.1
175.11276	1.8
177.12717	2.2
181.12239	3.2
184.07352	1.5
185.09680	1.3
185.13327	1.2
187.11296	1.7
189.09172	1.1
189.11232	5.2
189.12717	1.4
191.10670	1.9
193.12265	2.9
195.10159	1.4
195.11926	1.5
195.13837	1.5
197.13240	2.3
199.09648	1.3
199.11275	1.8
201.11229	1.4
204.51683	1.1
205.12227	1.3
205.15814	1.5
207.13890	1.5
208.27646	1.1
209.11766	2.0
211.14996	1.1
213.12782	1.9
215.14467	1.7
223.13196	5.9
227.12715	5.3
233.15314	4.0
255.12247	9.3
259.13452	1.0
269.13843	4.7
269.17346	5.6
271.16754	1.3
283.15363	11.1
284.15881	1.3
287.16519	1.9
297.16928	6.2
339.23087	2.2
343.50244	1.1
349.21576	3.5
357.24155	4.1
367.22717	10.7
368.23035	1.6
385.23685	24.8
386.23938	2.3
391.23975	1.0
403.24792	6.0
409.22275	2.6
431.27771	2.3
441.26590	3.0
441.97528	1.1
459.27423	100.0
460.27759	11.5
470.63004	1.2
477.28796	72.7
478.29010	11.0
495.29886	5.5
674.23828	4.2
675.24878	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88280	1.8
53.03946	4.3
55.01870	4.7
55.05507	11.9
56.02236	1.7
57.03442	14.4
57.07083	2.6
61.02920	3.6
61.43618	1.5
65.03916	1.6
67.05505	44.5
69.03416	1.7
69.07067	88.9
69.13128	8.6
69.13522	3.0
69.68136	1.7
73.06554	10.8
79.05493	53.0
79.70527	1.8
81.03416	7.8
81.07059	43.6
83.05002	2.2
83.08616	5.6
85.02898	4.3
85.06547	2.3
91.05471	15.2
93.07041	29.6
94.07327	2.2
95.04978	6.0
95.08607	34.2
97.02905	1.8
97.06525	33.9
97.10160	1.8
103.05451	1.7
105.07027	14.2
107.04932	2.4
107.08605	19.0
109.06516	3.4
109.10154	17.0
115.07574	7.4
117.07010	8.3
119.08572	10.1
121.10148	17.0
123.11668	6.2
125.05994	13.3
126.39712	2.0
131.08548	9.0
133.10121	9.9
135.08049	3.8
135.11694	12.1
137.09607	2.4
137.13274	3.4
143.07037	70.5
144.07425	1.9
145.10129	6.6
147.11690	5.6
149.13191	8.7
153.09128	2.9
159.11719	3.1
161.08115	21.2
161.13274	5.0
163.14835	4.5
164.21182	1.8
173.13229	5.4
184.07407	3.3
187.14838	2.8
199.09641	30.9
217.10713	100.0
218.11098	3.4
225.94566	1.7
226.45531	1.8
243.21080	6.7
261.22141	22.8
276.49921	1.7
279.23068	3.3
291.19684	2.6
293.20798	2.2
317.24689	4.7
335.21744	3.7
335.25787	75.2
336.26208	5.6
353.26849	4.3
437.14728	2.2
438.16495	3.1
452.17529	1.8
459.31024	7.2
477.32043	29.4
478.32239	3.4
495.33093	2.3
509.17319	2.1
510.18564	3.4
522.18207	2.8
554.20905	4.8
582.20496	11.4
614.23303	2.4
615.23242	4.0
642.22406	17.8
643.22272	5.0
674.24731	7.5
674.42657	2.6
675.39777	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36738	1.2
55.03707	1.3
55.05506	5.3
57.07076	35.3
58.06598	1.8
67.05504	6.8
69.03442	1.4
69.07072	4.6
71.04993	1.4
71.08633	27.7
71.29604	1.8
73.02894	1.4
73.06561	11.6
76.42706	1.3
79.05492	6.5
80.22182	1.3
81.03442	1.6
81.07057	7.3
83.08631	4.1
85.10184	21.0
86.09707	1.8
87.04452	8.0
89.06035	100.0
90.06361	2.0
91.05476	4.0
91.07596	1.7
93.07066	3.9
95.04992	2.7
95.08600	3.9
97.06521	1.9
97.10171	5.1
99.11743	3.3
105.07020	3.1
107.07099	3.4
107.08557	3.5
109.06545	1.4
109.10146	1.9
115.24353	1.3
117.09126	8.1
119.08634	1.3
125.00042	2.1
125.09589	1.5
128.99516	1.7
130.08665	1.9
131.07085	2.7
131.08545	2.6
133.08607	53.3
133.10127	2.4
135.11679	1.8
136.06209	4.8
137.33746	1.2
155.17984	4.1
175.09689	3.0
177.11221	18.6
184.07358	5.7
199.20641	3.6
221.13811	4.3
243.23169	6.4
269.17499	1.4
287.25546	2.7
314.09137	1.6
326.16113	2.4
448.66132	1.4
472.13287	1.3
513.35712	1.7
587.70740	1.2
588.50598	1.6
657.47614	2.7
674.43713	2.9
675.36658	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.05527	2.1
56.96567	1.6
67.05484	0.9
69.00732	5.6
69.01162	4.5
69.03436	1.7
69.07059	1.0
70.06592	31.3
72.08155	1.4
79.05512	1.8
80.05005	1.6
81.03434	1.2
81.07050	1.4
82.06606	1.0
83.05000	1.3
84.04510	1.5
85.02893	2.8
90.59026	1.1
91.05466	1.3
95.06075	2.9
97.02911	2.1
97.06522	3.8
97.10139	1.0
98.06048	1.2
98.09697	1.2
100.11252	2.6
108.08147	1.0
109.02893	1.2
110.06039	3.2
112.08708	6.0
114.10250	1.3
119.08601	1.4
134.09636	2.0
135.11816	1.1
137.05965	3.0
145.69557	1.1
147.04405	1.6
163.03889	2.1
174.10275	2.7
176.11784	1.6
180.13817	1.7
187.02734	2.4
188.53581	1.1
193.14462	5.2
205.13365	1.4
206.11810	2.1
212.02139	1.0
212.05933	2.1
215.06937	1.6
219.04565	1.0
237.05478	2.1
237.13179	1.1
241.08397	1.3
251.03384	1.1
255.07066	1.1
259.09650	2.3
265.04965	1.5
267.02820	1.2
276.05496	2.3
280.04919	1.3
289.04831	1.3
291.06558	1.7
294.06396	1.2
298.05624	3.4
301.04849	2.8
302.03244	2.8
315.38290	1.1
319.06030	7.9
320.04385	3.5
331.09525	1.6
343.06000	2.8
344.04364	2.1
351.12030	1.0
361.06940	7.6
422.14224	1.2
435.13461	1.5
436.14999	5.3
441.12949	1.2
447.11560	1.4
464.11810	19.8
465.12653	1.8
482.16272	5.4
506.13004	2.8
507.13968	37.1
508.14734	51.6
509.14999	4.8
512.17407	1.8
627.21539	1.7
645.22723	100.0
646.23138	13.1
657.23975	1.9
657.46509	1.3
675.24115	99.5
675.47693	16.2
676.24567	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	675.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50359	1.0
55.05499	1.6
58.06596	1.3
67.05512	3.6
68.89818	1.1
69.07053	1.7
70.65948	1.2
70.66276	2.2
73.28549	1.0
75.38004	1.0
76.34238	1.1
79.05488	3.3
81.07053	5.0
85.75025	1.3
86.09708	1.5
91.05476	3.9
93.07039	3.0
95.04954	1.5
95.08608	3.0
97.10146	1.0
98.98468	1.9
103.43448	1.1
105.07020	2.6
107.08589	1.4
117.07043	1.1
125.00022	1.2
128.33586	1.0
131.08575	1.5
141.44800	1.1
149.09557	1.2
151.11098	1.3
155.01036	1.3
157.09988	1.3
177.96605	1.2
184.07356	4.6
236.14925	3.5
310.03387	1.2
335.25720	1.4
365.23407	1.2
398.13641	3.0
399.14365	4.1
412.15292	6.5
413.16068	20.1
414.17047	21.3
415.17929	6.1
426.16858	5.8
427.17596	17.5
428.18402	28.9
429.18619	3.6
430.16287	3.2
431.16287	1.2
432.18967	3.7
433.19312	1.5
440.18558	1.4
441.19662	14.1
442.19931	30.1
443.20642	12.8
446.19003	1.3
455.16287	1.7
455.21420	2.0
458.15646	2.3
459.20877	1.6
468.17749	1.4
469.18738	41.3
470.18884	35.2
471.18466	4.9
472.17484	5.6
473.18115	10.8
474.18323	7.1
485.14264	1.7
486.19403	2.3
497.18301	1.5
500.20142	1.4
501.21262	3.9
509.18121	2.2
510.18536	2.1
513.17627	23.7
514.17786	31.2
515.17621	3.1
525.21277	6.6
534.18970	1.2
541.20428	1.9
557.23956	100.0
558.24182	16.9
587.20862	1.9
588.25787	25.5
589.25732	5.5
600.22516	2.0
601.22485	3.5
615.24493	20.8
616.24756	90.2
617.24426	15.2
631.26978	2.6
643.23975	50.2
644.24078	9.4
675.26270	7.7
675.43457	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	675.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
69.57601	1.9
71.54613	0.4
71.68172	0.4
93.99687	0.3
98.22572	0.4
110.98012	0.3
284.14072	0.4
303.56500	0.4
308.13287	0.4
335.37497	0.4
439.14417	0.4
453.15533	1.1
454.16644	1.6
455.12915	0.5
456.14270	0.6
467.13373	1.2
467.18579	0.5
468.13931	3.3
469.14880	9.0
470.15613	2.6
471.16919	1.0
479.17432	0.5
480.14120	0.8
481.14670	2.3
482.15851	13.4
483.16605	12.1
484.17361	4.1
485.17792	0.9
495.16632	0.8
496.17484	5.7
497.18207	45.8
498.18646	10.5
499.20074	1.0
500.17520	0.7
510.19510	1.8
511.19861	6.0
512.20367	2.8
515.19226	2.4
523.16248	0.8
524.16663	0.6
528.16290	3.5
529.16504	0.7
538.19299	0.9
541.17242	1.2
542.17993	3.7
543.18317	0.7
555.18842	1.4
556.19568	4.8
557.20105	4.1
558.20636	0.5
569.20245	0.7
571.21967	0.7
583.21832	0.5
589.14191	0.4
616.21765	1.6
629.22406	1.3
630.22980	1.1
643.23846	6.3
644.24615	9.6
645.25366	1.9
657.25500	8.1
658.25806	1.2
675.26617	100.0
676.26898	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88845	0.3
55.05505	0.5
67.05507	1.4
68.42395	0.3
69.04309	2.3
69.07071	0.6
71.05006	0.4
79.05499	1.0
81.07070	0.9
88.24112	0.3
91.05481	1.1
93.07070	0.8
95.04980	0.9
95.08612	0.5
100.57242	0.3
105.07009	0.6
107.08589	0.6
109.06529	0.4
112.07624	0.8
113.06013	0.9
117.06940	0.4
119.08579	0.8
124.08625	0.3
133.10095	0.4
135.08182	0.4
145.10182	0.5
146.52248	0.3
149.21919	0.3
161.06300	0.3
161.09723	0.3
163.11182	0.3
173.08212	0.3
185.04288	0.9
203.05292	1.6
259.07840	1.6
307.81436	0.3
347.09723	1.0
365.10583	2.6
421.13324	0.9
432.66864	0.3
513.30310	20.9
514.30731	2.0
675.35571	100.0
676.35870	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	675.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.4
67.04434	0.2
67.05509	0.3
69.07053	0.3
75.07684	0.2
79.05481	0.3
81.03414	0.3
81.07051	0.7
83.08626	0.3
89.40297	0.2
91.05499	0.4
93.07030	0.5
95.08615	0.3
97.55581	0.2
105.07011	0.4
107.08603	0.3
119.08569	0.3
131.08557	0.4
133.10100	0.2
184.07384	0.2
184.50720	0.2
185.04213	0.7
196.69739	0.2
198.39807	0.2
203.05286	1.7
248.23375	0.2
259.07846	1.5
305.08307	0.3
306.18661	0.2
347.09607	1.2
365.10504	3.5
372.89169	0.2
421.13254	1.4
429.11163	0.3
513.30359	20.0
514.30713	1.9
675.35571	100.0
676.35925	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
55.05510	0.7
61.83044	0.3
67.05529	1.3
67.32389	0.3
69.03407	0.3
69.07074	0.6
69.45728	1.1
69.46134	0.6
71.05017	0.3
71.08617	0.4
79.05479	1.1
81.03439	0.3
81.07050	0.8
83.04971	0.3
83.08650	0.3
85.71996	0.2
91.05483	1.1
93.07031	1.0
95.04970	1.0
95.08627	0.5
97.05624	0.2
97.06516	0.3
98.22658	0.4
98.64960	0.3
105.07034	0.7
107.05006	0.4
107.08606	0.7
109.06487	0.4
109.10148	0.4
112.07623	1.0
113.06018	0.9
117.07041	0.5
119.08557	0.4
121.10177	0.3
125.09634	0.3
131.08551	0.7
135.11728	0.4
147.11737	0.3
161.09583	0.3
164.01868	0.3
182.67471	0.2
185.04222	0.7
193.05020	0.3
231.65204	0.3
259.07904	0.5
270.89658	0.3
342.92783	0.3
345.16208	0.3
347.09595	1.0
357.63556	0.3
359.21902	0.3
386.09927	0.3
452.20590	0.3
513.30310	19.1
514.30737	2.1
675.35559	100.0
676.35852	12.0
684.70343	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
57.03439	7.5
65.03944	2.3
65.73499	1.3
69.03426	21.7
71.28176	2.7
74.63211	1.2
74.82571	1.2
75.07422	1.3
79.05502	2.2
80.05013	16.3
81.03423	3.2
85.02899	15.0
87.04467	19.5
91.05487	8.0
93.07069	2.3
94.04165	1.6
94.51646	1.4
95.04967	4.4
97.02892	12.8
99.04465	1.7
102.04694	5.2
103.05463	7.1
105.07020	8.0
107.04933	1.8
115.03937	14.9
115.05407	2.2
119.04937	13.7
121.06516	18.3
122.03658	3.3
123.59536	1.6
125.05982	1.6
127.03947	2.6
130.04131	7.3
131.04950	10.0
133.04967	11.4
133.06473	8.7
134.03603	2.0
135.04425	6.6
137.05975	100.0
138.06291	2.4
147.03337	2.5
147.04408	28.6
148.04683	1.7
149.05981	17.3
150.06667	11.2
150.07770	3.1
151.03918	5.2
151.07475	2.3
153.06963	1.4
161.05975	35.6
161.07213	2.8
161.53963	1.7
162.06761	49.2
163.03877	3.6
163.07553	13.3
164.08229	2.4
165.05513	2.3
166.08643	34.6
175.03810	2.4
177.05470	4.3
178.02605	4.6
179.07042	6.4
180.10225	1.7
181.04980	3.6
181.06474	3.2
191.07042	3.4
193.04968	21.4
193.06615	1.8
205.05089	3.3
207.04477	1.8
207.06592	2.0
211.07709	2.2
213.09164	1.7
221.07985	1.7
223.06036	5.5
239.07150	1.5
241.08566	2.0
257.12674	1.6
273.10995	1.7
297.07599	27.1
298.07864	3.8
299.09131	25.5
300.09317	2.7
304.91220	1.5
311.08960	2.4
317.10178	23.7
329.10205	39.2
329.14911	14.0
330.10675	2.2
330.15048	1.8
331.16611	2.0
333.84094	1.7
343.16510	4.0
347.11234	5.3
423.52142	1.7
496.24353	4.0
676.18872	14.2
697.64911	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24527	1.0
53.00306	2.6
53.03946	2.4
55.01870	10.7
55.05513	15.4
55.49308	1.1
56.84037	1.0
57.03436	17.6
59.04999	3.0
59.66985	1.0
61.02935	5.9
65.03936	2.0
67.05505	15.7
69.03434	3.3
69.07073	3.5
69.08237	5.7
69.08660	3.7
71.05010	1.3
73.02930	1.9
79.05493	46.4
80.05832	1.3
81.03414	9.6
81.07055	17.4
83.01341	8.0
83.04989	6.8
83.08611	11.0
85.02905	8.7
85.06537	2.7
90.12444	1.2
91.03978	2.8
91.05482	60.7
92.05798	1.6
93.07039	30.5
95.04974	6.1
95.08617	7.2
97.02892	7.9
97.06550	4.6
98.95117	1.1
99.00806	16.8
99.04478	1.5
103.05448	1.9
105.07030	49.2
107.04965	13.3
107.08597	30.5
107.09288	1.9
109.02876	8.0
109.06518	6.9
109.10181	5.2
111.04459	2.4
111.08098	3.7
115.03919	2.0
115.05444	5.7
115.06171	1.0
117.07018	39.8
118.07337	1.5
119.03419	1.6
119.04971	1.4
119.08582	12.3
121.06507	6.7
121.10178	2.5
123.04452	2.2
123.08085	5.2
123.11633	1.4
124.07545	1.9
125.06052	1.1
125.09653	1.6
127.03905	2.9
128.06195	1.2
129.07060	1.1
131.08586	2.6
133.06482	16.8
133.10130	26.6
133.37300	1.1
134.10443	1.3
135.08049	47.6
135.11707	4.6
136.08401	1.7
137.05986	1.8
137.09636	2.8
139.07559	3.4
143.08612	4.0
145.06522	2.3
145.10132	4.3
147.08081	1.6
151.07529	15.3
151.11168	8.1
151.12265	1.3
161.09644	16.0
163.07507	7.2
163.11203	7.5
171.08119	3.2
179.07088	1.3
179.10675	7.8
181.08669	1.9
181.12236	1.5
184.07361	2.2
189.09120	8.0
197.11775	2.3
199.09647	2.7
207.10237	2.5
209.11787	2.2
213.57698	1.1
225.11220	8.5
243.12260	2.2
253.10695	1.6
255.12274	100.0
256.12726	5.2
267.45544	1.1
271.11761	38.2
272.12115	1.4
281.13898	4.9
283.12277	1.9
283.15405	36.7
284.15817	2.6
299.14893	80.4
300.15125	5.3
313.36258	1.2
461.21494	1.9
479.22733	95.3
480.23099	9.4
676.25995	9.2
677.03015	1.1
677.27197	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.2
53.00298	4.0
53.03934	3.3
55.01636	1.3
55.01874	16.0
55.05272	1.4
55.05512	14.3
57.03167	1.2
57.03440	19.0
59.04992	3.1
61.02922	7.2
65.03931	2.7
67.05505	20.7
69.02390	1.0
69.02704	10.3
69.03431	4.7
69.07061	3.6
71.01366	1.2
71.04983	2.3
73.02907	2.8
73.93515	0.9
79.05494	50.1
79.92603	0.9
80.05019	1.1
81.03416	12.8
81.07057	16.5
83.01332	8.0
83.04981	6.0
83.08617	11.0
85.02907	7.7
86.09710	1.2
88.97822	0.9
91.03951	3.9
91.05482	69.7
92.05828	1.8
93.07043	35.4
95.04952	8.2
95.08607	6.2
95.52647	1.0
97.02892	7.6
97.06535	7.0
98.22694	1.9
99.00810	20.1
99.04480	1.7
99.08048	1.1
103.05463	1.9
105.03418	1.4
105.07030	46.7
107.02579	1.2
107.04951	14.2
107.08597	32.9
108.08916	1.2
109.02875	8.7
109.06509	7.1
109.10111	5.1
111.04430	4.2
111.08080	3.1
113.05996	1.3
115.03921	2.9
115.05435	6.1
117.07023	46.6
118.07320	1.0
119.04893	1.0
119.08582	9.4
121.06518	7.7
121.10122	3.3
123.04465	1.9
123.08064	5.1
123.11699	1.1
123.34876	1.0
124.07566	2.9
125.09590	1.6
127.03881	3.3
128.06218	1.9
129.07013	1.2
133.06493	14.0
133.10136	28.3
135.04393	2.0
135.08055	51.7
135.11670	4.8
136.08371	1.2
137.05966	2.4
137.09607	2.4
139.07515	2.6
143.08549	4.5
145.06468	3.7
145.10129	4.8
147.07999	1.4
151.07535	17.1
151.11208	10.1
153.09131	2.6
161.09631	14.2
163.03914	1.3
163.07518	7.6
163.11168	7.3
165.09039	1.1
171.08055	2.4
173.02296	1.3
179.07059	2.7
179.10684	7.5
181.08594	2.9
184.07303	2.4
189.09059	6.8
197.11783	1.5
199.09622	2.1
207.10217	2.1
209.11853	2.4
215.09001	1.2
225.11230	9.7
227.12863	1.7
237.11182	1.4
243.12311	2.3
251.42003	0.9
253.10753	2.8
255.12274	100.0
256.12616	5.0
271.11768	35.6
272.12234	1.4
281.13904	6.4
283.15430	39.5
284.15744	1.7
299.14886	84.4
300.15311	5.7
330.91113	1.1
461.21381	1.6
479.22742	98.0
480.23141	8.9
676.26324	10.2
677.26245	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.01870	5.6
55.05282	0.5
55.05518	6.3
57.03438	5.3
59.04992	1.4
61.02931	2.7
65.03922	0.6
67.05506	18.6
68.05822	0.7
69.03428	2.2
69.07066	5.9
69.61976	2.0
69.62389	1.0
71.04993	2.7
73.02904	0.8
79.05495	12.9
81.03418	4.7
81.07057	20.2
83.01350	2.4
83.04987	6.7
83.08617	4.4
84.89558	0.5
85.02908	2.9
85.06538	2.7
91.05480	20.1
92.05812	1.2
93.06475	0.9
93.07046	13.2
95.04958	4.1
95.08604	4.3
97.02876	1.7
97.06525	3.0
98.23279	0.7
99.04452	2.4
105.07032	16.7
106.07355	0.5
107.04955	3.2
107.07868	0.8
107.08595	17.5
109.06495	4.0
109.10157	27.5
110.10480	0.6
111.04465	1.0
111.08077	1.0
113.06009	1.7
117.07002	2.6
119.08598	4.1
121.06474	1.1
121.10147	2.3
123.08064	3.2
123.11700	5.7
124.07590	1.4
125.05985	1.0
125.07907	0.6
125.09615	1.1
127.07538	1.3
128.06207	0.8
131.08543	1.5
133.10132	34.0
135.08083	0.9
135.11644	2.9
137.09657	1.1
143.08511	1.0
145.10101	4.4
149.09607	0.7
151.11186	18.5
153.12679	1.1
155.08531	0.9
161.09622	1.3
163.11189	6.7
169.12250	2.8
173.09653	1.2
179.10678	0.9
181.12263	1.1
191.10689	0.7
197.11703	0.8
209.11659	1.3
215.12733	1.8
227.12741	1.5
253.14349	100.0
254.14690	5.2
271.15399	16.4
271.18320	0.8
272.15808	0.6
283.15405	24.0
284.15726	1.6
298.28491	0.6
461.25015	0.7
479.26392	56.0
480.26678	5.7
589.28796	0.9
647.98938	0.6
677.31421	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	676.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.5
55.10581	0.2
56.05027	0.5
57.03440	0.2
57.07059	0.5
58.06618	0.5
60.08161	6.1
67.05490	0.7
69.07072	0.4
69.10725	1.3
71.04986	0.3
71.07373	3.8
71.08598	0.3
79.05491	0.5
81.03416	0.5
81.07053	0.9
83.04972	0.3
83.08601	0.2
86.09704	30.8
87.10033	0.6
91.05475	0.6
93.07035	0.8
95.04994	0.2
95.08625	0.5
95.94329	0.2
98.98463	3.9
99.04552	0.2
104.10759	2.7
105.07027	0.5
106.07385	0.2
107.04961	0.7
107.08586	0.4
108.05311	0.4
109.06494	0.2
109.10150	0.4
125.00003	23.4
126.00328	0.2
136.06245	0.2
145.10123	0.3
150.06317	0.2
157.10138	0.2
159.11774	0.2
163.11198	0.7
164.11549	0.2
184.07336	100.0
185.07709	1.7
267.12292	0.3
268.12570	0.3
291.19742	0.2
313.26971	0.2
324.19128	0.4
441.98566	0.2
504.37592	0.7
509.85910	0.2
676.45428	6.3
677.45935	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30255	0.4
52.78252	0.4
53.03957	0.5
54.17443	0.3
55.01870	1.1
55.05506	0.7
57.03439	1.7
57.81282	0.4
58.06598	0.5
61.02933	3.4
67.05517	2.8
69.03434	2.5
69.07088	0.7
70.33756	1.2
71.04989	0.4
73.02917	2.7
78.68771	0.4
79.05096	0.5
79.05500	3.0
81.03423	3.5
81.07054	3.0
83.04981	2.3
83.08648	0.4
85.02912	3.9
91.03968	1.9
91.05486	4.5
93.07059	2.5
94.75422	0.3
95.04971	1.1
95.08632	1.0
97.02898	3.1
99.04453	0.9
101.02393	1.6
105.06377	0.4
105.07017	2.1
107.04967	1.9
107.08599	1.4
109.06529	0.7
111.08088	0.5
115.05517	0.4
117.07051	0.9
119.08603	1.7
120.71954	0.4
121.10188	0.4
122.70502	0.4
123.08103	0.5
127.03934	1.3
129.07036	0.6
131.08603	1.1
133.10164	1.4
145.10139	1.1
147.11728	0.6
149.09550	0.4
155.42567	0.4
163.11227	2.2
175.11250	0.6
185.04347	0.5
193.12146	0.4
233.11604	0.5
236.15062	1.0
243.08476	1.5
249.10872	0.6
252.98802	0.4
451.19434	7.2
452.19751	0.4
467.18945	5.3
468.18872	0.4
471.15195	1.6
482.15479	0.4
483.15613	1.1
484.15967	1.9
485.16867	1.4
497.17645	0.8
498.18274	1.9
499.18359	7.0
500.18607	1.2
512.19153	0.4
513.20123	0.8
515.26337	0.5
528.89386	0.5
530.16333	0.6
544.17743	0.7
557.19226	0.6
558.19440	0.8
559.20154	0.4
645.24121	1.6
646.24738	2.0
650.79681	0.5
659.25452	1.4
677.31744	100.0
678.31689	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	677.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.3
57.03418	0.2
57.07047	0.3
59.04936	0.2
65.99220	0.2
67.05473	0.3
67.56058	0.1
69.84181	0.2
70.06558	0.6
71.29782	0.2
79.05472	0.8
81.07012	0.6
88.07642	1.0
91.05436	0.6
93.07015	0.5
95.04979	0.4
95.08582	0.3
97.06490	0.2
100.80718	0.2
102.09129	0.6
105.06994	0.4
107.04889	0.2
107.08549	0.3
109.10146	0.2
112.07592	0.2
115.03644	0.4
117.13942	0.2
119.08543	0.4
121.10112	0.2
131.08475	0.4
133.03423	0.2
133.10120	0.3
145.10103	0.3
149.02335	0.9
149.03333	0.2
149.05908	0.2
151.04488	0.2
157.10042	0.2
167.10612	0.2
175.04539	0.4
185.04214	0.4
193.04918	1.4
232.38649	0.2
256.26343	3.3
275.20209	0.2
277.08929	39.9
278.09283	1.3
295.08652	0.2
307.47681	0.2
421.13007	0.3
448.30658	0.3
585.32135	0.4
591.22070	0.2
677.37115	100.0
677.53320	3.2
678.37451	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	677.374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.4
55.01883	1.8
55.05513	15.2
56.05830	1.5
57.03452	7.8
57.07068	5.3
60.88492	1.4
61.02927	20.5
64.94600	1.2
65.03938	3.7
67.05507	94.0
68.05834	1.9
68.42825	1.3
69.03423	5.3
69.07072	18.0
70.56948	1.7
70.57299	2.9
71.04987	3.8
71.08615	1.5
73.02919	8.9
75.04485	1.8
79.05495	58.8
80.05828	1.9
81.03431	6.4
81.07057	99.5
82.07401	2.5
83.04989	3.8
83.08617	8.8
85.02904	20.3
85.06538	3.6
91.03956	20.4
91.05484	33.9
93.07046	70.7
94.07354	1.9
95.04980	4.6
95.08607	80.3
96.08932	1.8
97.02906	12.3
97.06514	4.7
97.10173	4.7
99.08099	1.7
103.03931	1.6
105.04533	2.0
105.06389	1.7
105.07036	22.2
107.07861	2.3
107.08594	42.2
109.10159	42.8
110.10509	2.9
111.08093	4.0
117.07016	11.9
119.08592	18.9
121.10144	44.6
122.10479	1.5
123.08079	3.5
123.11705	23.2
124.12008	1.4
125.09609	2.3
127.03916	7.5
129.06935	1.4
131.08568	23.5
133.10127	16.0
135.11685	32.4
137.09624	2.4
137.13260	7.4
139.11159	2.3
145.04965	9.5
145.10138	18.8
146.06274	1.4
147.11707	12.7
149.13264	26.4
151.11163	3.2
151.14832	1.7
159.11708	16.2
161.13266	13.5
163.06029	12.1
163.11182	2.3
163.14799	14.9
165.12718	2.8
173.13281	17.6
175.14738	3.2
177.12758	2.0
177.16429	5.8
179.14265	1.8
185.13147	1.8
187.14810	10.1
189.16434	1.6
201.16342	3.6
205.15941	1.7
215.18001	2.5
219.17444	1.5
233.22641	3.9
243.21097	35.7
261.22141	100.0
262.22537	5.6
263.23587	1.4
279.23178	5.6
315.84473	1.3
317.24973	1.6
331.77100	1.6
335.25815	32.6
336.26022	2.3
353.26840	30.3
354.27203	4.0
497.30969	4.8
677.33008	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	678.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
55.01873	9.6
55.05313	1.0
55.05520	10.9
57.03440	13.7
61.02924	3.7
66.59235	0.9
67.05508	18.6
69.02467	9.0
69.03442	1.7
69.07072	4.4
71.01340	1.4
71.04991	2.4
73.02934	1.1
79.05495	34.6
80.03292	1.1
80.05841	0.9
81.03425	10.7
81.07064	13.3
83.01337	7.5
83.04983	8.3
83.08619	7.2
85.02923	7.1
91.03953	1.9
91.05485	33.8
92.05820	1.4
93.07051	28.9
93.07636	1.7
95.04974	7.6
95.08619	8.9
97.02908	7.4
97.06540	6.4
97.10168	1.3
99.00821	0.9
99.04466	2.0
103.05433	1.1
105.07040	7.3
107.04956	13.6
107.08600	23.5
109.06521	6.4
109.10149	1.7
111.04436	5.3
111.08080	3.7
115.05456	3.7
117.07018	30.3
118.07345	1.2
119.04963	1.4
119.08576	7.0
121.06482	4.5
121.10162	5.8
123.04445	1.3
123.08073	4.8
125.09633	2.2
129.07039	1.1
131.08589	2.7
133.10135	2.4
135.08054	39.1
135.11681	8.6
136.08414	0.9
137.05988	4.2
137.09668	1.0
145.06490	2.5
145.10118	11.7
147.08110	2.1
147.62820	1.0
149.09599	1.8
153.09102	2.5
153.12753	1.9
155.08553	2.5
163.07547	22.0
163.11186	15.0
173.09657	3.6
181.08568	7.9
181.12276	2.0
191.10739	3.2
197.95551	1.0
199.09622	5.5
209.11751	13.6
227.12822	5.9
237.11211	1.4
241.37614	1.1
255.12273	100.0
256.12592	4.0
265.14169	1.5
273.13260	2.2
283.15405	88.1
284.15775	4.3
445.22241	4.3
463.23227	62.6
464.23724	6.2
481.24298	2.9
543.42755	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.01879	1.5
55.05513	2.1
57.03444	2.2
61.02925	3.5
65.03950	0.4
67.05510	4.5
68.05843	0.4
69.03436	2.4
69.07065	2.3
70.43635	0.8
70.43969	0.6
71.01351	0.5
71.05009	0.4
73.02904	2.4
74.23249	0.4
79.05495	5.9
80.05818	0.8
81.03429	3.7
81.07058	4.7
83.04988	2.6
83.08215	0.3
83.08641	1.6
85.02419	0.5
85.02908	4.7
85.06539	0.5
91.03951	2.3
91.05491	4.8
93.07045	5.0
95.04967	2.1
95.08630	1.9
96.04512	0.4
97.02896	4.9
97.06535	8.4
97.07139	0.5
97.10205	0.6
99.04482	1.3
100.11281	0.6
101.02396	1.5
105.07068	1.6
106.07445	0.4
107.04982	1.3
107.08591	3.0
109.02905	0.9
109.06563	0.9
109.10168	1.2
111.04465	6.6
111.05203	0.4
111.08110	0.7
116.74065	0.3
117.07043	1.8
118.07385	0.4
119.08611	1.4
120.08984	0.4
121.06510	0.9
121.10128	2.0
123.08112	0.6
124.24770	0.3
127.03955	1.6
131.08565	1.1
133.10129	2.1
135.08095	1.6
135.11731	1.6
136.08380	0.6
137.09602	0.5
143.08557	0.6
145.10098	1.7
147.04416	0.5
149.13278	0.6
151.11240	0.4
153.12772	0.6
153.29892	0.4
159.11678	0.5
163.03955	1.3
163.07663	0.4
163.11205	1.7
175.07391	0.4
177.12830	0.5
191.10681	0.6
199.07640	0.6
203.05321	0.5
209.11719	0.6
211.13341	0.5
215.07031	0.8
227.12842	0.5
235.13133	0.7
241.08571	0.8
243.08392	4.3
243.10570	0.4
249.11104	0.8
253.14465	0.4
254.14828	0.5
255.12364	1.2
255.16260	0.4
256.12659	0.7
259.09747	1.4
267.16116	0.5
283.15436	1.9
284.15964	1.0
293.11691	0.5
305.13800	0.4
311.12595	0.7
327.16168	0.5
329.49994	0.4
337.14410	0.8
355.15448	3.9
373.16699	0.8
439.19388	0.6
447.27191	0.5
453.20984	6.1
454.21402	0.7
464.28320	0.6
467.18863	6.2
468.19598	1.0
482.28387	0.6
517.20605	0.7
530.84839	0.4
645.25946	0.5
679.32977	100.0
680.33380	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	679.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
55.01877	2.2
55.05497	3.4
57.02563	0.4
57.03440	3.4
58.06128	0.4
59.04072	0.4
61.02927	4.9
65.03954	0.5
67.05507	7.6
69.03434	5.2
69.07069	3.4
71.01359	1.1
71.05006	1.1
73.02921	3.1
77.85390	0.3
77.85863	0.4
79.05493	8.0
79.05912	0.7
81.01685	0.4
81.03420	4.6
81.07053	6.6
81.07462	0.5
83.01360	0.6
83.04964	3.7
83.08633	1.6
85.02905	6.1
85.06561	0.5
86.09723	0.5
87.04461	0.5
89.42642	0.4
91.03944	3.3
91.05484	5.8
92.05831	0.6
93.07045	7.5
93.07610	0.4
95.04974	3.0
95.08601	3.1
97.02894	7.8
97.06528	18.7
97.10194	0.9
99.04498	1.7
99.08098	0.4
99.65137	0.4
101.02360	2.0
103.03928	0.9
105.07021	2.2
107.04981	1.6
107.08582	3.9
109.02913	1.3
109.06552	1.2
109.10183	1.5
111.04441	11.2
111.05177	0.6
111.08130	0.8
111.14357	0.4
114.24136	0.4
115.05504	0.7
117.07050	2.2
119.08630	1.9
121.06538	1.1
121.10163	2.1
123.04475	0.7
123.08098	0.9
124.40273	0.4
125.09647	0.9
127.03895	2.4
128.06259	0.5
129.05510	0.6
131.08624	1.8
133.10104	2.0
134.10532	0.5
135.08084	2.0
135.11700	2.1
137.09650	0.7
143.08614	0.8
145.05023	0.7
145.10135	2.0
147.11783	0.6
149.09688	0.4
149.13269	0.9
151.11267	0.7
153.12773	0.6
157.10202	0.6
159.11766	0.9
161.05994	0.8
161.09641	0.8
162.03223	0.6
163.03918	2.6
163.11194	3.0
167.08667	0.5
171.08076	0.7
173.06064	0.9
173.09651	0.7
181.12318	1.2
182.12508	0.4
185.04213	0.7
185.05727	0.5
187.07610	0.5
189.09163	0.9
191.10703	0.5
193.05025	1.3
193.12210	0.7
195.08064	1.0
195.13867	0.4
197.06104	0.6
199.07626	1.0
201.09160	0.5
209.11781	0.9
211.07693	0.6
213.09236	1.3
214.06262	0.5
215.07112	1.3
215.10689	0.6
225.09142	0.7
227.12894	0.8
233.15514	0.5
241.08743	1.9
241.12427	0.5
243.08386	5.0
249.11017	0.8
250.89099	0.4
255.12350	0.8
255.16103	1.3
258.09030	0.5
259.09714	3.5
269.17670	0.8
283.15607	1.0
305.13773	0.5
309.14917	0.6
311.12796	3.0
327.16116	1.5
337.14551	1.7
353.13849	0.9
355.15421	13.1
355.19519	0.7
373.16641	1.0
453.21082	7.1
464.27518	1.2
465.28738	0.7
467.18866	6.3
481.20413	0.6
482.28485	0.5
499.19727	0.9
517.20740	1.4
517.27551	0.9
611.27124	1.0
613.22717	1.0
645.25574	1.0
651.33588	0.5
661.31873	0.9
679.32959	100.0
680.33411	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	680.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.4
55.01870	1.2
55.05512	4.6
57.03437	4.8
57.07059	0.9
58.06600	42.1
59.04987	0.4
59.06939	0.5
59.07384	11.9
60.08167	10.6
60.08482	0.4
63.14941	0.3
63.48272	0.3
65.03938	0.3
67.05506	4.8
69.07068	4.4
71.04987	0.7
71.08638	0.4
73.02930	0.8
75.04490	2.7
79.05500	3.9
81.03421	0.7
81.07055	5.4
83.01353	0.9
83.04985	1.2
83.08625	4.5
84.08151	0.9
85.02898	2.8
86.09708	0.7
87.04469	4.0
90.52357	0.3
91.05489	1.0
93.05515	0.5
93.07037	3.3
93.51344	0.6
95.04955	0.3
95.08613	2.4
97.06529	1.3
97.10179	1.1
98.22616	1.2
99.08140	0.6
100.11265	0.8
102.05552	0.9
103.03930	0.4
105.05548	0.8
105.07027	0.7
107.04923	0.5
107.08614	1.5
109.06541	0.5
109.10185	1.0
109.64084	0.3
111.08072	0.6
113.06022	1.4
116.10738	0.4
117.07038	0.5
119.08575	0.7
121.10151	1.7
123.08070	0.7
123.11730	0.4
125.09646	0.7
130.08659	0.6
131.07047	2.1
135.11710	1.3
144.10199	16.4
145.10297	0.5
149.13220	0.4
162.11255	5.3
163.11195	1.0
200.12836	0.9
218.13937	1.2
236.14919	100.0
237.15248	4.4
248.58980	0.3
249.98225	0.3
306.73633	0.3
311.25760	0.8
314.77115	0.4
331.21857	0.3
339.18179	0.4
367.28329	0.4
372.07797	0.3
382.25876	0.5
385.00452	0.3
410.36246	1.0
426.24863	4.1
444.25958	8.1
445.26260	0.7
454.35220	6.1
455.35522	0.8
472.36346	14.1
473.36551	1.6
662.46112	2.0
680.47278	93.2
681.47552	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	680.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99144	0.4
55.01831	1.2
55.05515	5.0
57.03437	5.3
57.07048	1.1
57.07319	0.3
58.06601	40.1
59.04977	0.4
59.07382	10.7
60.08166	10.7
60.08454	0.4
67.05503	5.0
69.07070	4.6
71.04973	0.5
73.02904	0.8
74.32011	0.4
75.04494	2.8
79.05490	3.0
81.03380	1.3
81.07058	4.2
83.01332	0.6
83.04947	1.3
83.08627	3.4
84.08115	0.8
85.02904	3.1
86.09724	0.5
87.04462	4.2
88.83585	0.4
91.05442	1.6
93.07046	4.0
93.51305	0.6
95.04965	0.9
95.08617	3.1
97.06489	1.1
97.10147	1.3
100.11227	1.0
102.05524	0.7
103.03900	0.8
105.05476	0.9
105.06976	0.9
107.04920	0.6
107.08584	2.2
109.06474	0.5
109.10147	0.9
113.05968	1.4
117.07013	0.9
119.08569	0.7
121.10117	1.7
123.08044	0.8
123.11687	0.5
126.55103	0.4
131.06987	1.7
133.10049	0.6
135.11647	1.2
144.10194	17.5
145.10138	1.4
162.11266	5.0
163.11192	1.3
180.80144	0.4
184.07324	1.1
218.13901	1.2
236.14919	100.0
237.15283	3.8
311.25748	0.8
382.25406	0.4
410.36172	0.8
426.24857	4.4
444.25916	7.5
445.26050	0.6
454.35342	5.3
455.35324	0.7
472.36331	13.1
473.36612	1.5
495.90567	0.4
662.46002	2.6
680.47290	96.6
681.47601	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	680.5089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.6
55.01849	0.8
55.05472	1.3
57.03435	4.5
57.07073	5.0
58.06599	35.0
59.07380	10.1
60.08165	9.5
63.20505	0.3
65.03903	0.4
67.05508	3.3
68.99590	1.6
69.00010	1.6
69.07031	1.5
70.21732	0.3
71.08633	2.7
73.02892	0.6
75.04476	2.6
79.05493	2.6
81.03394	0.8
81.07057	4.0
83.04935	1.1
83.08595	1.0
84.08112	1.4
85.02913	1.9
85.10138	1.6
86.09671	0.6
87.04460	3.4
91.05500	2.3
93.07056	2.1
93.07526	0.4
93.51469	0.5
95.04921	0.8
95.08604	3.3
97.06536	0.4
97.10153	0.7
100.11244	0.8
102.05508	1.4
103.03933	0.6
105.05479	0.6
105.07000	1.5
107.08562	0.7
109.10130	1.2
113.05979	1.2
117.07030	0.4
119.08528	1.3
119.09373	0.4
123.11755	0.5
130.08623	0.8
131.07033	1.5
139.17664	0.3
144.10191	17.6
145.10255	0.4
147.11739	0.7
162.11232	5.9
163.65396	0.3
176.51314	0.3
200.12822	1.3
218.13860	1.1
236.14914	100.0
237.15227	3.4
268.73773	0.4
313.27344	1.0
337.20300	0.5
369.30035	0.5
412.37930	0.7
424.26855	3.5
425.27612	0.7
442.28021	7.7
443.28250	0.5
456.36884	7.0
457.37650	0.6
473.03348	0.4
474.37869	14.1
475.38318	1.7
680.50891	96.9
681.51239	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	680.5091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01875	1.2
55.05523	1.0
57.03427	3.3
57.07071	4.3
58.06602	28.3
59.07382	7.9
60.08166	5.9
67.05505	4.8
69.07079	1.5
71.05042	0.4
71.08636	2.3
75.04495	2.2
79.05488	3.4
81.03417	0.6
81.07053	4.3
83.04996	0.7
83.08619	1.4
84.08127	1.2
85.02918	1.9
85.10184	1.5
86.45014	0.5
87.04476	2.0
91.05492	2.7
93.07050	2.6
93.51502	0.9
95.04977	0.5
95.08608	3.8
97.06524	0.8
97.10140	0.5
100.11274	0.8
102.05563	0.9
105.07058	1.8
107.08611	1.0
109.10200	1.8
113.06025	1.1
119.08642	0.9
121.10180	1.0
130.08702	0.6
131.07040	0.9
133.10118	0.9
135.12857	0.5
144.10191	9.6
147.11696	0.8
157.10117	0.6
162.11234	4.2
190.43170	0.6
206.16547	0.5
218.13832	0.6
236.14920	61.5
237.15324	2.4
369.30133	0.7
424.26984	3.0
442.27982	7.7
456.36865	4.9
474.37863	10.0
475.38367	1.0
680.50916	100.0
681.51398	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	681.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.2
56.08986	0.8
67.05508	2.2
69.03430	1.4
69.07034	0.8
70.13612	2.5
76.51268	0.9
79.05491	2.2
81.03413	1.7
81.07030	1.2
83.04983	0.7
91.05482	2.0
93.07038	2.3
95.04944	1.6
95.08624	1.3
97.02866	1.1
97.06517	2.6
105.07033	2.1
107.04952	1.3
107.08614	1.4
109.06530	0.8
109.10172	1.3
111.04420	0.9
119.08609	1.5
121.10152	2.0
131.08562	1.1
132.30061	0.7
133.10153	1.2
143.08574	0.8
143.82526	0.7
145.10208	1.0
163.11177	1.2
169.10155	0.8
175.11250	0.8
181.06715	0.7
197.59758	0.9
290.66843	0.8
319.13403	0.7
337.14377	1.2
355.15472	0.9
473.16910	1.2
479.24512	0.7
517.99695	0.9
636.29761	0.9
647.71021	0.8
681.28546	100.0
682.28815	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	682.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.5
55.01865	2.2
55.05516	4.3
57.03434	2.1
61.50288	0.7
61.83877	0.7
65.79473	0.7
67.05508	5.0
69.03437	10.2
69.07071	9.1
69.79458	3.9
71.01364	2.9
71.05000	1.6
72.81392	1.0
79.05502	9.5
80.05031	0.8
81.03427	4.2
83.04994	5.4
95.04979	10.3
97.02908	5.2
97.06535	100.0
98.06091	0.7
98.06860	1.8
98.22706	1.2
99.04477	3.2
104.90574	0.7
111.04408	1.0
113.06016	3.4
127.03954	1.4
141.07022	1.0
143.04852	0.7
143.08575	1.0
147.04465	0.8
155.08557	1.2
157.06522	1.1
161.02370	1.1
161.05998	5.3
162.03146	1.4
163.03905	12.0
167.08577	2.9
169.06483	1.2
171.04407	1.1
171.08049	1.9
173.02228	0.8
173.06021	2.9
174.06749	1.1
175.03935	1.4
175.07561	2.3
177.05434	0.8
181.06499	0.8
183.08098	2.2
185.06021	2.2
185.09705	2.3
186.06747	1.2
187.07620	1.8
189.09123	4.1
195.08029	4.5
197.05927	1.3
197.09688	0.9
198.06726	1.2
199.07561	5.1
199.11214	1.6
201.05501	0.9
201.09151	1.5
203.07083	2.1
203.10696	1.0
209.09653	1.3
211.07593	2.0
212.08322	1.0
213.05516	1.2
213.09132	5.2
215.07031	2.6
215.10687	2.1
217.08638	1.0
223.07570	2.0
225.05489	1.3
225.09132	2.1
227.07048	1.0
227.10674	1.7
229.04959	0.9
229.08620	1.8
231.10112	1.9
237.09116	1.6
237.12933	1.0
239.07040	2.0
240.07887	1.1
241.08594	13.6
241.12285	3.1
251.07057	1.3
251.10628	0.7
255.10162	1.6
257.11783	1.4
258.08826	1.4
259.09671	16.9
260.09903	0.9
265.12305	1.3
267.10321	0.9
267.13748	1.9
269.08118	1.4
269.11441	1.0
271.09659	1.4
283.13303	2.6
285.11240	0.8
285.14926	2.0
293.11642	3.4
299.12723	3.1
303.08469	1.0
309.14926	3.8
311.12787	15.5
311.16144	1.4
312.13025	1.6
313.14252	5.8
319.13245	0.8
327.15875	11.3
329.13760	1.2
337.14362	13.3
338.14706	1.6
355.15408	80.4
356.15750	5.5
373.16440	11.4
374.16797	1.2
499.19565	3.9
517.20740	6.7
523.76331	0.8
535.20941	0.7
615.24139	2.3
682.24249	1.3
683.28607	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	682.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	6.7
56.05032	8.5
57.03427	1.8
57.07065	1.9
58.06603	12.1
59.07378	3.1
60.08151	2.4
63.34875	0.6
67.05502	2.0
69.07070	12.6
70.06597	0.6
71.08630	1.4
72.08158	44.2
73.08459	0.6
79.05477	2.1
81.03400	0.8
81.07052	4.2
83.04990	1.0
83.08637	1.5
84.08137	7.5
85.02896	0.8
86.09708	100.0
87.04465	1.3
87.08114	2.4
87.10027	1.7
91.05485	1.8
93.07063	1.8
95.08617	1.8
97.02912	0.6
97.06544	1.9
98.09698	12.0
103.42776	0.6
105.07018	1.2
107.08604	0.9
109.10129	0.8
112.11240	22.0
113.07126	1.3
114.09178	2.0
119.08593	0.8
119.18370	0.5
126.09230	1.0
140.10690	1.4
140.14357	6.3
141.13863	0.7
143.11803	10.1
144.10197	4.4
154.15900	3.3
155.11867	0.9
156.10252	0.9
162.11212	0.9
165.10262	0.8
169.13358	36.7
170.13734	0.9
171.11374	2.4
173.15341	5.3
181.09859	1.3
183.11366	1.0
184.07405	0.9
185.16512	1.2
197.12843	7.8
197.16466	7.1
211.18057	13.5
211.20093	0.8
212.18478	0.8
213.16032	1.0
214.09004	0.7
221.16583	2.6
225.12457	1.4
225.15948	3.7
228.16069	1.9
229.14391	4.1
236.14917	30.7
237.15367	1.3
239.17549	4.1
246.17178	1.6
267.17090	3.4
272.18698	2.2
284.19809	0.8
285.18054	1.4
300.17966	5.0
303.19275	1.8
311.19684	0.7
324.19278	0.7
329.20932	1.9
338.24527	0.7
343.18701	0.7
353.24472	0.9
357.20288	3.3
359.25601	1.6
371.25369	4.4
380.25610	2.1
385.26999	5.5
399.24890	16.3
399.29721	1.1
400.25275	1.0
413.26727	2.6
416.27560	2.9
425.26511	0.7
428.27521	1.2
437.28046	1.0
442.29129	9.8
454.35504	1.1
455.28641	1.0
456.27036	11.4
470.28433	12.9
471.29169	1.5
472.36349	3.0
474.38113	1.0
484.34082	2.7
496.34390	2.2
510.35318	3.7
512.33307	12.7
513.33740	1.0
524.33582	3.3
538.34839	5.3
541.35883	13.4
541.43463	0.7
542.36755	1.7
551.34625	3.4
555.37256	3.7
565.36328	0.9
569.35443	26.6
570.35541	3.1
583.37152	3.7
609.42365	3.5
637.41724	5.6
638.41266	0.9
654.44135	7.1
655.45020	0.9
664.43329	2.1
682.49011	31.9
683.39844	2.0
683.49933	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	682.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38744	0.3
53.02834	0.3
55.01848	1.2
55.05509	1.7
57.03439	4.3
57.07076	4.1
58.06601	34.0
59.06919	0.4
59.07382	8.3
60.08164	8.3
66.15082	0.2
67.05502	2.0
68.97781	1.0
68.98204	1.6
69.07034	1.0
71.04981	0.4
71.08630	2.2
73.02895	0.5
75.04477	2.3
79.05510	1.4
81.03399	0.6
81.07056	2.4
83.01295	0.4
83.04949	0.7
83.08578	1.1
84.08165	0.5
85.02905	2.7
85.10152	1.1
87.04463	2.8
91.05434	0.9
93.07053	1.6
93.61523	0.3
95.08598	1.9
97.06500	0.6
97.10152	0.3
100.11201	0.6
102.05528	0.7
105.05464	0.4
105.06997	0.6
107.04950	0.5
107.08650	0.6
109.06464	0.4
109.10173	0.6
113.05966	0.9
116.10709	0.3
117.06977	0.6
119.08594	0.4
121.10033	0.3
123.11645	0.3
131.06998	1.2
135.11674	0.6
138.90160	0.3
144.10193	13.3
145.10124	1.1
162.11261	5.5
163.11205	0.5
176.80977	0.3
200.12810	0.6
218.13864	1.1
236.14919	85.6
237.15260	3.1
303.62885	0.3
310.75613	0.3
313.27417	0.6
369.30011	0.4
382.26099	0.5
412.37851	0.9
416.26544	0.3
426.24854	3.8
444.25967	6.9
445.26511	0.5
456.36783	5.4
457.37109	0.8
474.37906	13.8
475.38245	1.3
587.23114	0.5
664.48029	1.8
665.47913	0.3
682.48828	100.0
683.49158	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	682.488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.7
55.05480	1.5
57.03440	4.0
57.07076	3.8
57.38440	0.4
58.06598	30.8
58.06873	1.2
59.07380	8.2
60.08162	8.2
62.14840	0.4
66.92225	0.4
67.05499	1.9
68.46866	0.4
69.07020	0.5
71.08636	3.2
73.02876	0.5
75.04481	2.1
79.05474	1.2
81.03402	0.4
81.07022	1.6
83.01308	0.8
83.04963	0.8
83.08585	0.5
84.08104	1.2
85.02885	2.3
85.10146	1.7
86.09679	0.8
87.04485	2.3
91.05478	0.6
93.05518	0.4
93.07018	1.6
95.04950	0.5
95.08629	2.4
97.06496	0.6
98.22561	0.8
100.11230	1.0
102.05518	0.8
103.03918	0.5
105.05496	0.5
107.04897	0.5
107.08562	0.7
109.10145	1.1
111.58891	0.4
113.05965	1.7
119.76873	0.5
123.08060	0.4
130.08591	1.0
131.07013	1.6
144.10191	14.6
145.10310	0.6
162.11250	5.8
163.11162	1.2
200.12782	0.9
218.13823	0.9
236.14914	100.0
237.15279	4.3
313.27420	0.9
412.37634	1.1
417.23990	0.5
426.24908	4.6
444.25928	7.5
445.26093	0.6
456.36804	5.8
457.37317	0.8
474.37927	13.7
475.38379	2.2
518.30457	0.4
630.63123	0.5
664.47839	1.1
682.48810	89.5
683.49194	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	683.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27364	1.4
55.05520	2.5
58.06605	2.9
67.05508	6.2
68.38154	1.4
69.07068	2.7
70.05854	3.0
70.06213	3.2
79.05507	5.5
81.07075	4.6
83.08628	2.4
86.03554	1.5
91.05463	3.4
93.07062	5.7
94.06572	3.5
95.08610	4.4
102.82477	1.3
105.07071	2.6
119.08597	2.7
121.10150	2.1
138.05536	4.3
145.10127	2.2
146.06035	1.8
162.05530	3.2
173.13284	1.6
180.06694	2.2
180.08186	1.9
181.09052	1.5
183.09056	2.9
193.07733	3.2
194.08304	4.0
195.09224	5.0
196.09930	4.5
197.10741	1.8
206.08397	3.0
207.09198	3.6
208.10062	2.8
209.07097	3.1
209.10661	6.9
210.07706	8.6
210.11302	1.7
211.08571	3.6
211.12244	7.7
219.09215	2.9
221.07147	2.7
221.10861	2.8
222.07802	2.5
222.11517	2.8
223.08693	8.1
223.12346	2.9
224.09479	4.8
225.10120	2.0
235.08731	5.0
236.05573	6.9
236.09450	2.1
236.14948	6.8
237.06604	3.0
237.10223	16.1
238.07365	1.7
238.10919	3.4
239.08220	6.2
239.11795	25.8
240.12225	1.5
248.09360	1.7
249.10378	2.8
250.07430	2.7
251.08183	10.6
252.08832	1.9
255.11491	1.5
258.16327	1.5
261.42722	1.6
263.08179	4.0
264.08884	2.3
265.06793	2.6
265.09720	18.0
266.10547	6.2
267.08044	3.2
267.11267	20.5
269.09229	2.6
279.07761	4.7
281.09314	2.1
283.10898	6.2
284.11389	1.6
285.12451	3.9
291.07788	4.7
291.47678	1.6
293.09183	11.7
309.08643	2.0
310.09683	4.5
311.10150	8.3
325.11823	13.2
326.12628	2.2
351.09775	20.7
352.10324	1.8
353.11160	2.0
369.10794	17.7
370.11429	2.3
383.13239	1.6
393.21140	3.1
397.10242	2.6
405.16891	2.8
407.18564	1.9
419.18912	4.4
421.20447	6.3
433.16092	2.6
433.21152	2.0
435.18039	3.9
447.18289	2.7
448.19119	2.7
449.20145	3.7
458.17200	2.0
463.17334	2.7
477.19467	3.7
478.20187	2.2
507.24011	2.4
521.22015	2.1
531.20367	2.6
535.24249	3.3
536.21411	1.8
537.21680	2.8
563.22748	6.9
591.22363	22.1
592.22815	3.5
595.25452	3.6
596.22485	3.9
601.21417	1.8
605.23840	1.8
619.21826	28.3
620.22260	3.8
623.25073	19.8
624.25446	2.1
651.24438	100.0
652.24774	14.4
682.48822	5.8
683.27130	78.0
683.37073	3.9
683.49615	2.5
684.27374	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	683.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.4
57.03434	0.3
58.06594	0.6
62.03324	0.3
67.05507	1.3
68.35497	0.3
69.74333	1.4
73.04748	0.4
74.62364	0.3
79.05502	1.0
79.91482	0.3
81.07066	1.3
83.08617	0.4
85.02966	0.4
91.05493	1.1
93.07053	0.9
94.06561	0.4
95.04988	0.7
95.08628	1.1
105.07042	0.9
107.08604	0.6
117.07022	0.7
118.06570	0.4
119.08577	0.5
120.08128	2.2
121.06660	0.4
121.10144	0.6
131.08569	0.5
133.10181	0.6
143.07294	0.4
151.45039	0.4
158.09666	0.5
197.10875	0.5
209.10960	0.4
225.10184	0.6
235.08734	0.3
236.14923	1.9
237.10304	0.6
249.10329	0.4
269.74658	0.4
287.10468	0.4
288.11542	0.6
296.11963	0.3
297.12769	0.3
298.13324	0.5
300.11484	0.7
301.11972	0.5
302.12924	0.8
312.11389	0.9
314.13049	0.8
326.13034	0.6
328.10809	0.8
328.14380	0.6
329.11633	0.4
330.12527	0.5
338.13000	0.5
341.11707	0.5
342.12463	1.0
344.14136	0.7
354.12283	0.8
356.14011	0.8
358.15695	0.5
362.15524	0.4
363.16373	0.5
368.14059	0.6
377.17926	0.5
384.13110	0.4
388.13315	0.4
390.14340	0.4
391.15405	0.5
393.20798	0.5
397.14478	0.4
402.14536	0.4
403.15146	0.5
403.19717	0.5
404.16583	0.4
405.17441	0.6
407.18790	0.9
416.16205	0.6
417.17328	0.6
419.14304	0.7
419.19019	0.7
421.20529	0.4
422.20648	0.4
431.19119	1.0
432.15768	0.5
433.16809	1.1
445.16385	0.7
447.18262	1.0
449.19519	1.8
451.17346	0.7
458.20856	0.6
459.18033	0.7
461.19821	1.2
463.21533	0.4
465.18753	0.4
471.17740	0.5
474.37872	0.6
475.17676	1.2
476.22571	0.4
477.19312	1.5
478.24069	0.5
485.19971	0.7
489.19379	1.4
493.18518	6.2
494.19049	0.8
499.17838	1.1
503.20483	1.5
504.21405	1.2
505.19089	1.1
513.19354	1.0
516.17603	0.5
517.18756	0.6
521.17804	5.8
522.18793	0.9
531.20013	1.0
532.20856	0.8
533.21820	0.5
535.23248	1.1
536.23315	0.5
545.21777	0.7
549.21979	0.6
562.22168	0.5
563.22754	1.9
573.21313	1.4
574.21552	0.7
577.25110	0.5
591.22534	0.8
592.23608	0.8
595.25592	3.0
605.23822	0.6
623.24933	5.9
624.25287	0.9
633.23364	2.6
651.24457	100.0
652.24817	15.9
682.48920	1.0
683.27295	2.2
683.38733	0.9
683.49664	0.5
684.27551	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52506	0.6
54.48835	0.5
55.01865	0.9
57.03434	6.1
59.04986	1.6
60.04509	2.2
65.03937	0.7
69.03427	24.7
69.26099	3.3
69.26510	1.0
70.03786	0.6
71.04976	0.8
73.02888	1.5
73.04736	0.7
78.32043	0.5
79.05495	0.9
81.03403	1.5
83.04963	0.8
85.02900	14.7
87.04469	13.1
91.05486	2.1
94.04195	1.4
96.74625	0.5
97.02885	17.8
99.04484	0.8
103.05463	1.3
105.07002	0.9
107.04967	0.7
109.06515	1.0
111.04449	0.5
115.03924	18.9
115.05430	1.6
119.04946	0.9
119.70122	0.5
121.06477	0.6
122.03636	4.5
123.04427	0.8
127.03928	2.0
131.04929	1.3
133.03981	1.0
133.04959	15.6
133.06473	1.3
137.05968	100.0
138.06299	3.0
138.09032	0.7
143.04938	0.7
144.06564	1.1
145.04973	2.0
145.06454	1.5
147.04382	2.8
149.05936	1.0
150.07613	6.0
151.03883	1.7
159.04382	0.7
160.05219	1.7
161.05986	2.8
162.07614	0.9
163.07532	1.4
165.07016	0.6
173.05960	2.3
175.03983	1.1
175.07529	3.1
177.03967	0.5
177.05505	0.8
177.06993	0.7
179.07138	0.7
180.08704	1.4
186.03134	1.3
187.03854	0.9
188.04521	0.7
189.05440	1.8
191.06992	0.7
193.04915	0.6
194.07219	1.2
195.07993	0.6
201.05452	6.5
203.07019	2.4
205.06503	4.3
206.07164	0.9
207.06490	8.9
207.08133	0.6
217.06598	0.7
219.06296	3.5
221.05952	0.8
222.06721	2.4
223.07654	0.7
231.06442	3.1
233.05977	4.7
233.08009	1.2
234.06723	2.0
237.09030	5.1
238.09392	0.8
239.06966	0.9
247.07582	1.3
248.08351	1.1
249.05392	1.1
249.09326	0.7
250.06210	4.5
251.06984	1.7
259.07867	0.6
261.05588	1.5
262.06244	1.6
263.07095	1.0
264.07800	2.0
265.08582	14.0
266.09210	1.3
267.06598	1.1
268.07291	1.6
273.05457	0.9
277.05133	0.7
277.08664	2.8
278.05759	2.4
279.06491	1.3
279.10159	1.4
282.08792	0.9
283.09656	3.8
290.05630	0.9
292.07217	4.1
293.08051	11.4
294.08536	2.1
295.06226	0.7
295.09647	1.1
297.11185	4.5
305.08044	2.0
306.08633	0.5
307.06088	1.0
307.09631	14.5
308.09970	1.1
309.11252	2.0
310.08279	1.8
311.08966	0.9
312.12753	0.9
322.08069	0.6
323.09039	2.4
325.10654	34.4
326.10867	3.1
337.10709	6.7
338.10767	0.9
339.12222	1.3
343.11737	34.7
344.12000	2.1
355.07336	0.9
355.11722	14.9
373.12610	1.3
625.36603	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
57.03442	3.8
59.05013	0.8
60.04541	0.8
61.02911	0.9
69.03435	15.6
69.15949	6.1
71.85870	0.7
73.19912	0.8
85.02908	10.0
85.45995	0.7
87.04478	7.6
91.05476	2.0
97.02903	11.5
98.22575	0.9
115.03931	9.8
115.05473	2.2
119.04967	1.4
123.04451	0.9
125.05974	1.3
127.03954	1.2
131.04924	1.7
133.04971	11.0
135.04416	0.7
137.05994	17.1
138.06267	0.9
143.04961	1.6
144.06621	0.9
145.05035	1.1
145.06548	1.6
147.04375	1.4
149.06030	1.2
150.06613	1.3
150.07629	2.9
150.10887	0.7
151.03868	1.4
153.05385	0.8
158.03647	0.9
159.04422	1.5
160.05197	0.9
161.05925	0.7
163.07562	0.8
173.05995	2.5
175.04005	1.9
175.07591	3.2
177.06982	0.9
180.08736	1.7
186.03180	4.2
187.03899	1.8
189.05428	1.5
194.07291	1.5
200.04767	0.9
201.05457	11.0
203.07051	1.3
205.06505	10.2
207.06519	0.9
215.06998	4.8
219.06363	0.9
219.08156	1.1
219.11549	0.9
221.05928	1.1
222.06781	5.1
223.07321	0.9
233.05980	11.6
233.08183	4.0
234.06702	2.7
235.07431	1.5
237.09128	10.9
239.07079	1.8
247.07545	2.3
249.05533	1.7
249.08905	0.8
250.06281	9.9
251.07001	2.5
261.05505	2.0
263.07114	1.9
264.07776	3.1
265.05737	1.5
265.08615	26.9
266.09186	4.6
267.06540	2.3
268.07385	0.8
275.07169	1.4
277.04999	1.1
277.08618	0.8
278.05804	5.4
279.06796	1.0
279.10126	2.2
282.08929	1.6
283.09515	1.4
292.07303	10.3
293.08090	22.9
294.08652	3.2
295.06082	1.4
297.11203	9.9
305.07791	0.9
307.09674	24.1
308.10104	2.1
310.08398	4.7
312.12842	1.2
323.09195	1.1
325.10721	100.0
326.11008	9.6
337.10904	1.7
339.12292	2.9
343.11798	49.0
344.12201	4.4
355.11816	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	684.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.0
53.44235	1.5
55.05507	11.3
57.03434	3.9
57.07061	1.9
57.89558	1.5
58.88272	1.8
67.05504	36.7
67.86887	1.5
69.07063	7.9
71.04991	2.6
71.28996	1.8
73.04758	4.3
79.05491	47.9
80.05782	1.4
81.03420	6.1
81.07059	30.2
83.04970	10.2
83.08627	5.3
91.03892	1.5
91.05445	38.4
92.05814	2.1
93.07043	48.0
95.04955	13.3
95.08615	19.3
97.02907	1.7
97.06536	4.8
97.10183	3.3
105.04487	2.1
105.07027	27.4
107.04958	5.1
107.08592	13.4
109.06517	5.0
109.10146	4.7
109.62774	1.8
114.97050	1.4
117.06996	7.8
119.08569	16.8
120.08111	1.8
121.06502	2.5
121.10172	5.7
123.08072	3.5
128.06229	2.5
129.07004	13.9
131.08598	3.6
133.10158	9.0
135.08067	2.1
135.11713	2.7
143.08572	6.9
145.10126	6.8
147.08015	2.2
147.11700	23.9
159.11719	2.1
161.09647	2.2
161.13240	7.4
163.11182	1.9
167.05571	2.1
169.10104	2.1
171.11676	20.3
179.14345	1.9
189.12762	8.1
207.13785	18.5
208.14128	2.0
239.09515	2.1
281.17465	48.5
281.20557	3.0
282.17801	2.8
283.15375	1.8
305.78195	1.6
355.06747	2.5
359.02762	3.7
429.08688	3.7
446.38229	2.1
464.89288	1.7
469.29037	1.9
487.30542	100.0
488.30881	12.5
602.20886	4.3
652.24646	3.5
653.25549	3.9
685.38507	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	684.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.1
53.03951	4.8
55.01867	4.6
55.05513	14.4
57.03435	13.5
57.07077	2.9
58.06604	1.8
61.02915	2.6
65.03934	1.5
67.05502	50.1
68.05821	1.3
69.03432	1.9
69.07065	15.9
69.31574	5.1
71.01345	2.3
71.04989	3.7
71.08643	1.3
72.51467	0.8
73.02899	0.9
73.04765	1.4
79.05492	57.3
81.03400	4.8
81.07053	35.0
81.07529	1.7
83.04984	9.8
83.08615	7.0
85.02914	2.9
85.06546	5.0
91.05460	23.0
93.07043	64.0
94.07384	2.1
95.04960	5.9
95.08606	25.5
97.02908	1.3
97.06538	8.0
97.10181	7.5
99.04420	1.1
99.08110	2.4
100.34557	0.9
103.09036	0.8
105.04507	1.9
105.07021	13.2
107.04984	1.4
107.08592	30.5
109.06550	1.9
109.10155	11.8
111.04475	1.0
111.08088	3.5
111.11761	1.0
113.09632	1.5
117.07021	8.1
119.08582	11.6
121.06525	1.2
121.10143	22.2
123.08074	1.5
123.11711	4.3
125.09650	2.4
129.05464	1.2
129.06993	2.0
130.07845	1.1
131.08568	9.0
133.10130	9.7
135.08076	1.3
135.11693	42.9
137.09608	1.5
144.10229	1.1
145.10110	12.9
147.11678	6.1
149.09651	1.2
149.13269	5.8
151.07483	1.1
151.11201	2.1
153.12794	3.7
157.10126	1.0
159.11699	5.4
161.13235	1.9
163.03922	1.5
163.11147	5.6
173.13260	3.3
181.12234	10.6
187.14874	1.6
189.11299	1.2
205.19432	1.0
215.17943	15.6
216.18288	1.3
233.19006	16.9
236.14938	3.4
253.14503	1.3
255.15907	70.6
256.16241	5.1
268.54697	1.0
289.21600	1.2
307.22659	60.2
308.23148	4.7
337.14581	1.2
377.28311	1.0
395.29630	1.2
449.51837	0.9
458.60059	0.9
487.34171	100.0
488.34583	14.5
505.35104	1.1
547.23590	1.4
558.21582	1.1
593.27246	1.3
602.21051	6.4
625.27026	0.9
634.23309	1.9
643.26208	0.9
653.27679	3.1
684.48541	4.7
685.31042	5.0
685.44312	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	684.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81698	1.5
53.03933	4.4
55.01865	1.6
55.05514	13.9
57.03436	66.6
57.07062	4.9
58.06587	7.0
59.04972	1.5
59.07373	3.4
60.08169	1.7
61.02917	4.1
67.05134	2.1
67.05502	36.8
69.03429	2.1
69.07065	10.1
70.76832	1.4
71.05003	2.9
71.08620	2.2
72.45652	1.6
73.04734	2.4
74.80637	1.6
79.05492	71.3
80.05834	1.7
81.03420	3.6
81.07056	51.3
83.04987	5.9
83.08615	6.1
84.14026	1.6
85.02901	3.0
85.06541	2.5
85.10212	1.8
91.05418	18.0
93.07037	34.6
93.64645	1.5
95.04987	3.0
95.08603	28.4
97.06520	3.2
97.10179	5.0
98.22634	3.5
105.07006	14.4
107.08595	39.4
109.06527	4.5
109.10133	11.5
111.08075	3.7
116.05577	1.6
117.06999	8.6
119.08607	9.9
121.10139	17.6
123.08089	3.4
123.11681	4.2
125.09632	27.1
129.06958	2.2
131.08559	7.9
133.10138	7.8
135.08049	12.6
135.11681	8.8
137.00998	1.4
137.09604	1.9
144.10207	4.2
145.10146	6.0
147.11664	3.6
149.13240	7.4
153.09116	19.2
159.11681	6.8
161.13246	4.4
163.03854	1.9
163.11201	1.7
163.14815	4.5
171.11671	1.6
173.13272	5.4
187.14711	1.8
225.11215	4.2
227.12770	100.0
228.13124	4.7
236.14943	23.0
237.15286	2.7
243.21089	6.4
245.63133	1.8
259.20587	1.8
261.22101	16.4
278.21252	1.5
296.81134	1.7
313.27484	1.7
330.14084	1.6
331.38229	1.9
335.25790	38.2
336.26248	3.4
359.02817	2.6
395.29501	2.2
441.40204	1.8
469.33182	2.2
474.37878	3.8
487.34137	31.1
488.34387	5.3
497.53033	1.7
599.23260	1.8
653.40668	1.7
666.49286	7.5
684.47589	13.7
685.44073	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	684.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03415	0.3
55.05484	1.3
57.03432	3.8
57.07077	4.9
58.06599	34.3
59.06913	0.5
59.07378	10.6
60.08163	9.1
62.42881	0.4
67.05506	3.0
69.07034	1.2
71.08629	2.7
71.58614	0.4
72.26475	0.4
73.02879	0.5
75.04465	2.6
76.28146	0.4
79.01740	0.4
79.05455	1.6
81.03400	1.6
81.07056	2.9
83.08588	1.2
84.08124	1.1
85.02897	3.2
85.10188	1.8
86.36531	0.4
87.04464	3.2
91.05447	1.7
93.07014	0.7
93.71777	0.5
95.04943	0.7
95.08608	2.8
97.06499	0.7
97.10120	0.5
100.11246	0.9
102.05511	1.2
105.05474	0.5
105.06985	1.4
109.10117	0.9
113.05981	1.0
119.08546	1.1
129.05406	0.4
130.08577	1.0
131.07060	1.9
131.08417	0.4
133.10110	0.4
134.10106	0.4
144.10188	17.4
145.82645	0.4
162.11237	5.1
193.12222	0.5
197.98695	0.3
200.12846	1.2
218.13841	1.3
236.14909	100.0
237.15273	4.9
238.15549	0.5
313.27502	0.9
328.62418	0.4
369.29904	0.8
384.27505	0.5
410.25415	1.2
412.37927	0.9
428.26407	5.8
446.27512	6.3
447.27826	0.6
456.36774	7.4
457.37228	1.0
474.37839	15.7
475.38312	1.3
497.80084	0.5
666.49298	10.4
667.49780	1.5
684.50354	98.8
685.50690	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62220	1.7
53.03938	3.1
55.01850	1.9
55.05508	4.7
57.03436	3.6
57.07067	3.0
61.39760	1.8
65.79362	1.6
67.05504	10.5
67.94244	1.8
69.03423	3.4
69.07058	3.5
70.43025	1.8
70.43414	4.5
71.04978	2.6
73.04733	3.6
79.05502	10.0
81.03413	6.8
81.07059	11.1
81.36896	1.9
83.08636	2.9
85.02890	3.6
91.05480	7.8
93.07034	7.4
95.04968	6.9
95.08587	4.2
97.02888	2.2
103.88187	1.9
104.04981	5.8
105.04563	2.1
105.07033	7.8
106.06557	2.1
107.04996	1.7
107.08555	1.9
109.02872	2.4
109.10156	4.5
115.56446	1.9
117.07050	3.0
119.08575	5.9
121.10142	4.8
128.06213	1.9
129.06917	2.0
131.08511	4.3
133.10089	1.9
134.06006	7.3
136.07637	2.3
145.10127	3.8
147.11673	2.7
155.08559	2.4
157.10120	3.3
164.06982	2.1
178.04977	21.4
180.09148	1.9
187.04013	2.0
197.10785	2.9
211.08620	3.0
211.12276	1.9
225.10153	4.3
237.06363	2.1
237.10196	3.4
244.05434	2.1
249.10287	4.7
251.08279	3.6
251.11790	2.6
253.09711	2.8
253.13405	4.4
265.09763	5.3
267.07684	2.5
267.11285	3.1
268.11853	2.0
275.08173	4.1
277.09631	4.0
279.07779	2.7
279.11163	2.6
281.12698	2.2
285.12189	2.5
297.12595	3.0
303.07556	2.7
311.10031	2.5
313.12079	2.3
316.14304	2.3
321.08752	2.4
324.14749	2.3
325.12189	2.5
327.13525	4.2
328.14383	2.2
330.15848	2.7
337.11957	3.2
338.12994	2.7
341.11465	2.4
344.13907	2.9
352.14639	2.2
353.11334	6.4
354.12125	3.3
366.12366	3.0
370.15863	2.5
372.13104	2.5
380.14078	2.3
382.15677	3.2
408.13342	3.4
409.13745	3.1
409.19510	2.7
416.16089	2.5
417.17239	3.4
426.14224	3.4
443.14706	2.8
445.20657	2.9
459.17801	2.5
465.19003	3.1
473.19858	3.8
486.16495	2.9
491.20474	5.9
501.19171	6.1
507.20163	4.4
515.20276	7.0
518.19653	3.3
519.20197	4.5
529.18353	3.6
533.21216	6.0
534.21899	3.0
543.20105	8.7
545.21924	5.8
559.22858	9.9
561.21021	7.2
571.19220	5.3
575.22485	5.0
579.22028	3.5
587.38330	2.0
589.20483	4.7
593.23950	9.7
594.24390	2.7
603.22363	100.0
604.22498	15.2
607.24963	3.2
621.23438	13.5
622.23230	2.2
625.25995	7.9
635.24811	49.6
636.24786	6.8
653.25940	52.2
654.26105	7.0
667.27930	10.7
667.37732	4.0
685.28174	26.3
685.39618	11.1
686.28516	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	685.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19908	2.8
53.03943	4.6
55.01859	2.6
55.05516	6.6
57.07074	6.4
67.05498	10.2
69.07079	4.2
71.08629	3.9
73.04754	3.1
74.95505	2.8
79.05502	9.4
81.03405	6.1
81.07048	11.1
83.04956	2.9
83.08617	4.4
85.02930	2.4
91.05434	5.4
91.55094	2.3
93.07070	7.6
95.04974	7.6
95.08625	7.3
95.18871	2.4
101.62899	2.3
104.05003	5.5
105.07027	3.1
107.08595	4.3
109.10169	3.1
119.08575	3.2
120.08041	2.7
122.29431	2.6
134.05986	5.9
135.11620	2.7
145.10164	2.6
147.11644	3.1
149.02335	3.4
178.04997	16.2
193.04977	4.2
211.12410	2.7
211.34259	2.7
213.05606	2.9
225.10255	3.6
237.10387	4.8
239.11812	5.0
249.10469	2.8
253.13329	3.9
263.08099	3.7
265.09604	3.9
267.13818	4.5
275.08179	5.4
277.10004	3.6
283.10867	3.0
290.70920	2.9
299.14014	3.6
313.27194	4.8
314.12820	2.9
328.14322	3.0
328.32050	3.3
337.64020	3.0
353.11111	8.1
354.12323	5.2
355.15457	8.9
356.13983	3.3
366.12357	5.5
382.15808	3.7
385.09293	4.4
408.13544	5.1
426.14609	3.0
429.18271	5.0
431.18945	3.5
465.19427	4.3
473.19830	5.4
491.20987	3.5
494.19293	2.8
501.18906	5.6
502.19421	3.6
507.19971	4.5
514.15643	2.8
515.20447	9.3
517.21875	2.9
519.19550	4.3
529.18127	4.2
531.24194	3.0
533.20630	3.4
543.20386	13.1
547.22864	5.9
559.23212	11.6
561.21326	13.2
571.19678	4.5
575.22748	18.6
576.23138	6.1
593.24188	4.6
603.22394	100.0
604.22839	14.1
607.25415	11.7
621.23517	3.8
635.24963	94.4
636.25360	12.7
649.01251	3.0
653.25983	68.5
654.25806	11.0
667.28101	25.3
668.27759	6.5
685.28162	18.2
685.40198	10.8
686.38971	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	686.229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
56.77560	0.5
57.03417	0.9
65.03934	1.5
66.99297	0.4
69.03429	6.7
69.75317	0.5
71.01352	0.5
71.38102	0.5
73.05659	0.5
80.05028	0.7
81.03423	2.6
83.05007	0.6
85.02900	3.4
89.03899	4.0
91.05447	5.0
95.04955	0.8
97.02888	4.8
98.97562	0.7
99.04475	1.5
107.04957	1.3
109.02875	1.4
117.03383	4.6
119.04950	17.1
124.07634	1.0
127.03926	4.0
135.04410	11.7
145.02858	9.5
145.05000	1.2
147.04408	100.0
148.04750	3.0
163.03905	78.4
164.04195	3.0
165.05466	1.0
181.04918	0.6
198.07584	1.2
235.07599	0.8
249.07391	0.6
281.08008	1.2
291.08582	3.5
307.07971	2.9
309.06479	1.0
309.09738	14.3
310.10120	0.6
325.09216	10.8
344.20709	0.9
385.48746	0.5
405.10275	1.4
471.12759	1.4
686.23260	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02285	0.7
53.03948	4.2
55.01870	6.1
55.05514	12.7
55.33068	0.6
57.03434	7.4
57.07085	0.8
59.04996	1.0
61.02917	1.8
65.03940	1.7
67.05505	31.1
68.05837	0.7
69.03415	1.7
69.07064	7.5
70.04589	0.7
71.01349	1.1
71.04995	2.6
73.06548	1.4
77.03931	1.4
79.05494	52.4
80.05809	1.8
81.03423	12.2
81.07060	27.9
83.01342	4.1
83.04984	12.7
83.08612	8.7
85.02898	3.5
85.06532	2.7
91.05476	34.6
92.05777	1.1
93.07047	52.2
94.07343	1.3
95.04969	13.7
95.08607	15.9
96.01386	0.8
97.02907	1.9
97.06542	4.9
97.10168	2.8
99.04474	1.5
99.08083	0.9
103.05434	0.9
105.04528	1.6
105.07030	26.3
107.04964	9.3
107.08592	15.8
109.06526	7.8
109.10146	3.1
111.04424	1.4
111.08102	1.8
115.05477	0.8
117.07008	8.4
118.07336	0.7
119.08588	17.8
121.06516	3.3
121.10145	7.6
123.08055	8.1
125.05976	0.8
125.09640	1.0
127.03940	0.8
127.07511	1.0
127.55453	0.8
127.76090	0.7
128.06268	1.3
129.07001	10.4
130.07823	0.8
131.08572	3.6
133.06441	1.6
133.10135	6.9
135.08058	2.2
135.11696	9.0
137.09651	1.7
143.08582	7.4
145.10124	14.1
147.08064	2.8
147.11690	20.3
149.09587	0.9
155.08488	1.3
161.09633	2.8
161.13264	5.8
163.11186	10.5
171.11693	13.7
173.09612	1.8
181.12280	1.9
183.25471	0.8
189.12721	6.5
191.10655	2.0
199.11305	1.0
207.13800	17.0
208.14075	0.9
209.11787	2.8
225.14828	1.1
227.12849	1.7
255.15901	3.9
265.14474	1.6
281.17474	45.1
282.17865	3.5
283.15408	38.6
284.15741	2.7
309.16946	1.8
396.78519	0.8
413.84375	1.1
471.27368	5.6
489.28473	100.0
490.28851	12.5
687.42889	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66263	0.7
53.03939	3.0
55.01880	4.9
55.05510	11.1
57.03436	7.0
57.07065	1.2
59.04993	2.3
61.02927	1.3
65.03941	2.1
67.05504	25.5
69.03419	1.7
69.06327	3.6
69.06747	3.1
69.07066	7.6
71.04987	2.9
73.02905	0.8
73.04739	0.7
73.06559	0.9
77.03887	1.0
79.05492	45.7
81.03423	9.7
81.07055	26.6
83.01326	4.4
83.04983	11.7
83.08618	6.4
85.02894	3.1
85.06520	1.5
91.05470	28.5
91.06007	1.5
93.07040	37.2
95.04964	12.2
95.08609	15.8
97.02905	2.1
97.06550	4.6
97.10186	2.0
99.04477	1.3
99.08076	1.0
103.05482	0.8
105.04543	1.7
105.07029	23.8
107.04967	7.2
107.08587	13.8
109.06520	5.7
109.10155	2.6
111.04463	2.1
111.08121	1.0
113.01340	0.7
115.05467	1.3
117.06997	6.6
119.08578	17.0
121.06490	3.3
121.10162	4.8
123.08088	6.5
125.06048	0.9
127.03931	1.1
127.07588	1.0
128.06224	1.4
129.07001	9.8
130.07797	0.8
131.08571	3.0
133.10155	6.0
135.08005	1.3
135.11697	5.8
137.09682	0.9
139.35135	0.8
143.08545	4.7
145.10106	10.2
147.08029	2.6
147.11682	19.0
147.12766	1.4
161.09619	2.9
161.13235	5.4
163.11183	10.9
169.10010	1.0
171.11682	14.8
181.12285	2.3
189.12737	6.3
191.10678	2.1
207.13808	15.4
207.15674	1.4
208.14137	1.7
209.11763	2.8
225.14931	1.3
227.12746	2.4
255.15906	1.0
265.14334	1.7
281.17459	46.9
282.17819	3.3
283.15390	37.5
284.15628	1.8
328.83118	0.8
390.21317	0.8
453.12604	0.8
471.27365	6.8
489.28467	100.0
490.28796	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	686.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.3
55.05511	10.5
57.03426	8.2
57.07079	44.5
61.02933	10.6
65.03944	2.1
66.45813	2.0
67.05509	19.7
69.07070	11.4
71.08634	34.1
73.02927	4.4
75.04464	2.0
79.05502	10.7
81.03420	7.5
81.07066	28.1
82.03758	2.6
83.08613	15.8
85.02902	12.8
85.10180	21.3
91.03946	10.0
91.05473	4.7
93.07040	8.3
95.04982	3.3
95.08608	26.6
96.08924	2.8
97.02888	6.7
97.10175	10.9
99.42811	1.8
103.85104	1.9
105.07015	6.3
107.08562	4.0
109.10178	15.6
110.48080	1.9
114.27257	1.9
117.07039	2.3
119.08573	4.1
121.10181	4.5
123.11671	5.1
127.03927	3.2
135.11662	2.3
138.07584	2.1
145.04979	5.5
149.09634	2.6
163.03886	5.5
163.06017	8.4
174.02654	3.2
184.07327	3.4
193.04999	2.7
199.03931	2.3
214.75253	2.0
253.25272	21.0
268.14087	2.5
271.26453	5.0
284.29578	3.8
312.13159	2.1
313.27200	3.4
327.28922	100.0
328.29272	8.3
335.25824	2.3
337.13922	2.1
339.40503	2.3
345.29996	23.5
355.15512	4.6
356.15744	6.7
429.11874	2.3
430.19476	4.0
594.24054	2.3
605.23260	2.2
623.24829	4.1
654.26147	4.4
655.27045	2.7
686.39868	10.9
687.40948	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	686.447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.01879	1.1
55.05507	13.4
57.03437	14.2
57.07069	1.7
59.05005	4.8
60.38384	0.9
61.02934	6.0
65.03926	2.7
67.05505	100.0
68.05830	1.6
69.03426	2.4
69.07071	10.3
71.04997	5.0
79.05493	21.5
80.05803	1.2
81.03423	1.5
81.07056	44.8
82.07360	1.3
83.04984	2.9
83.08627	9.1
85.02905	5.2
85.06542	3.4
85.43447	0.9
87.04530	1.0
91.03964	1.6
91.05482	14.5
93.07043	28.8
94.07325	1.0
95.04945	2.1
95.08598	24.6
97.02897	2.7
97.06512	2.5
97.10178	2.9
98.22608	1.8
99.08099	1.5
105.07028	8.4
107.08595	15.9
109.06548	1.5
109.10157	74.6
110.10483	1.8
111.08090	4.5
117.07024	4.1
119.08572	12.8
121.10150	12.2
123.11665	4.7
125.09608	2.9
128.02728	0.9
131.08551	5.5
133.10115	5.8
135.11681	11.2
137.09671	3.4
137.13252	1.9
145.10106	4.7
147.11717	4.4
149.13257	4.4
155.10677	6.5
159.11710	4.0
161.13232	3.6
163.11171	1.6
163.14864	2.5
173.11761	23.3
173.13255	3.1
175.14780	1.7
177.16435	1.1
184.07332	1.3
187.14827	1.2
201.44572	0.9
227.12758	4.3
229.14340	91.0
230.14705	3.9
236.14886	2.3
243.20999	5.7
255.15903	9.0
261.22125	15.1
262.22403	1.1
309.24203	6.2
317.24667	3.0
335.25800	62.3
336.26205	6.2
380.95840	0.9
397.30927	1.6
415.31992	1.6
471.34430	1.8
489.35742	46.6
490.35934	6.3
507.36578	2.4
518.70709	1.2
686.47455	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
55.01855	0.9
55.05512	11.7
57.03436	12.6
57.07075	1.7
58.06587	1.1
59.04990	4.1
61.02919	4.5
65.03950	3.7
67.05505	100.0
68.05835	1.1
69.03427	2.1
69.07071	8.7
70.25451	0.7
71.04990	4.5
73.02907	1.1
79.05489	20.9
81.03400	1.3
81.07052	37.6
81.54276	0.8
83.04990	0.8
83.08609	7.9
85.02902	4.9
85.06549	2.8
91.03965	1.7
91.05474	15.7
93.07043	26.4
94.07379	0.8
95.04979	2.2
95.08605	27.7
97.02914	2.0
97.06542	1.1
97.10179	2.5
98.23377	1.7
99.08099	1.1
105.07013	8.1
105.07564	0.8
107.08595	14.4
109.06543	1.1
109.10153	76.1
110.10496	1.9
111.08099	3.0
117.07043	3.0
119.08557	10.9
121.10139	10.5
123.08086	1.0
123.11700	2.8
125.09615	1.0
127.03961	0.7
131.08562	5.6
133.10126	6.1
135.11708	8.8
137.09639	3.0
137.13315	1.3
145.10124	4.8
147.11700	3.5
149.13249	5.3
155.10667	5.4
159.11679	3.5
161.13307	2.4
163.14879	2.6
167.15404	0.7
173.11758	18.9
173.13251	3.0
175.14902	0.9
187.14854	1.9
189.11270	1.3
227.12785	3.4
229.14346	81.1
230.14685	4.0
233.22644	0.9
236.14905	3.6
243.21051	5.2
261.22131	18.6
262.22449	1.2
276.48694	0.7
313.27533	0.8
317.24863	2.8
333.24368	0.9
335.25800	70.6
336.26038	6.6
397.31131	1.7
415.31989	1.0
471.34732	1.1
489.35730	51.5
490.36148	6.3
492.11569	0.7
507.36365	1.6
686.48267	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	686.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.5
55.01852	0.8
55.05502	2.0
56.05017	0.4
57.03440	5.8
57.07075	6.4
58.06600	41.9
59.04973	0.4
59.06905	1.0
59.07381	11.4
60.08164	11.5
61.08461	0.5
67.05183	0.4
67.05502	6.2
67.64481	0.4
69.07071	2.2
69.23520	2.9
71.04953	0.6
71.07335	0.7
71.08635	3.7
72.15416	0.4
73.02917	0.8
75.04478	2.9
75.66010	0.4
79.05499	3.0
81.03391	0.6
81.07058	6.2
83.04940	0.9
83.08617	2.1
84.08122	1.0
85.02917	3.2
85.06521	0.5
85.10169	1.8
86.09689	2.4
87.04471	3.7
89.06020	0.4
91.05445	2.5
93.07047	3.6
93.81814	0.4
95.04948	0.8
95.08621	3.5
97.06506	0.7
97.10165	1.0
101.05956	0.5
102.05530	1.0
103.03897	0.5
105.05474	1.2
105.06998	1.3
107.08596	2.0
109.10146	1.9
113.05995	1.9
119.08599	1.0
121.10127	1.6
123.11654	1.2
124.99967	1.2
130.08597	0.7
131.07039	1.6
131.08507	0.7
133.10114	0.6
141.79738	0.4
142.03459	0.4
144.10193	16.6
144.11333	0.9
145.10507	1.7
149.09608	0.5
157.10197	0.5
162.11252	5.4
163.11555	0.7
184.07321	5.8
200.12733	0.8
218.13847	1.0
223.73117	0.4
227.12816	0.5
236.14920	100.0
237.15279	13.1
238.15404	4.3
313.27377	1.7
314.27676	0.4
335.25763	0.6
369.30054	0.7
386.25049	0.7
402.24887	1.5
403.14951	0.4
404.26514	1.6
412.37772	1.1
420.25864	3.0
429.26538	0.5
447.27725	0.7
448.25113	3.0
456.36853	5.7
457.37308	1.2
458.37332	1.1
474.37909	13.4
475.38376	2.8
476.38586	1.6
642.49323	5.2
655.27435	0.6
658.48828	5.2
659.49377	0.7
668.49426	1.8
686.48737	69.5
687.48981	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	686.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91610	0.3
55.01852	0.6
55.05508	2.0
57.03439	5.3
57.07076	5.7
58.06601	40.7
58.07011	1.2
59.06908	0.6
59.07384	11.2
60.08168	10.6
60.08447	0.4
61.67221	0.3
67.05506	5.8
69.07033	1.5
70.34545	0.4
71.04992	2.4
71.08630	3.1
73.02888	0.9
75.04490	3.4
79.05490	1.9
81.07064	2.5
83.04961	0.6
83.08588	1.4
84.08105	1.1
85.02909	2.2
85.10175	1.7
87.04474	4.3
91.05505	1.9
93.05466	0.5
93.07033	2.3
93.81953	0.4
93.82497	0.4
95.04961	0.5
95.08622	3.8
97.06504	0.7
97.10113	0.5
99.66436	0.3
100.11245	0.6
102.05524	1.0
102.85957	0.3
103.03915	0.5
105.05469	0.9
105.06994	0.7
107.08575	1.2
109.10162	3.5
113.05966	1.3
117.06938	0.4
119.08601	0.8
123.11659	0.4
130.08635	0.7
131.06982	1.4
135.11649	0.9
137.09578	0.7
140.07138	0.3
144.10197	17.7
162.11261	6.4
177.17862	0.4
200.12741	1.1
218.13876	1.2
236.14923	100.0
237.15279	4.3
313.27286	0.9
326.96051	0.4
343.35373	0.4
357.96283	0.4
369.30109	0.7
372.24011	0.5
398.25531	2.1
404.26364	0.9
412.37997	1.3
416.26453	5.4
430.27969	2.9
448.29092	3.6
449.29825	0.4
456.36911	8.4
457.37167	1.2
474.37943	17.8
475.38403	1.2
540.15253	0.4
626.27222	0.7
642.49786	0.9
654.49390	24.3
655.49591	3.9
686.52045	96.2
687.52399	15.0
712.30872	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.5423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	5.9
57.06797	2.6
57.07076	37.7
58.06607	9.9
58.55919	2.0
60.08157	4.0
66.27896	1.9
67.05493	5.3
69.07071	6.3
71.08635	37.2
73.06561	8.5
79.05495	3.8
81.07052	6.8
83.08624	6.2
85.10176	19.4
87.04465	7.5
89.06032	100.0
91.05438	1.8
91.16073	1.6
93.07024	4.1
95.08576	4.2
97.10173	8.5
99.11765	2.9
107.04959	5.1
107.07051	3.2
107.08569	2.2
109.10134	3.3
111.11700	3.3
113.13212	1.8
117.09137	7.4
121.10220	2.0
127.18117	1.8
130.08676	2.2
131.07036	2.4
131.08583	2.1
133.08612	47.0
141.16380	2.3
144.10202	3.8
163.11189	3.7
163.63849	1.6
177.11215	17.2
211.24202	2.3
219.17366	2.4
221.13861	3.9
228.88571	1.8
236.14914	29.2
255.26706	2.0
276.93167	1.6
279.12299	4.7
299.29483	4.7
313.27191	4.0
343.32028	3.4
445.18463	5.9
474.37704	4.1
654.48975	5.4
686.52069	28.8
687.52301	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	687.4595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	11.0
57.07083	23.3
57.24166	4.2
67.05528	24.1
68.99524	44.4
69.07074	7.2
71.08633	12.9
79.05489	7.1
81.07062	27.7
83.08617	9.5
85.10181	5.8
88.54131	4.0
90.94827	4.2
93.07015	7.2
94.67107	3.8
95.08611	18.5
99.08089	4.4
105.07054	5.3
109.10184	9.8
113.00006	12.2
134.66393	3.9
169.02551	7.1
169.74690	4.0
189.04810	4.2
190.34404	4.1
240.57964	5.0
358.14752	4.5
546.20551	5.3
575.50366	47.4
641.27106	5.0
687.45959	100.0
688.45947	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	688.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
55.01873	1.2
57.03433	3.9
59.05004	1.1
60.04532	1.4
65.03958	1.2
67.05504	1.0
69.03426	13.4
69.33098	5.2
79.05489	2.2
81.03413	1.6
81.07083	1.0
83.04973	2.2
85.02908	9.7
85.15594	0.8
87.04453	7.1
91.05479	2.1
93.03417	1.2
94.04195	2.2
97.02891	9.3
98.23296	2.0
99.04455	1.1
103.05470	9.4
105.07049	3.5
109.06490	1.8
111.04411	1.9
115.03923	10.4
115.05483	3.6
117.07003	1.4
119.04939	3.0
122.03654	3.8
125.06001	1.6
128.06200	2.8
129.07021	12.7
131.04922	16.5
131.08514	1.8
133.02899	1.5
133.04951	7.5
133.06509	2.7
137.05974	100.0
138.06314	1.9
143.04939	2.4
144.05707	2.7
145.04980	1.1
145.06599	1.7
147.04419	3.6
147.08095	1.6
149.05933	2.1
150.07622	2.7
151.03981	1.4
151.07533	2.5
153.05481	4.1
157.06491	12.1
160.05188	5.2
161.05983	11.7
163.07545	9.6
165.05553	1.3
172.05170	4.7
174.06760	4.8
175.07547	38.5
176.07925	1.9
177.05550	1.6
177.09119	1.2
179.07068	1.2
187.07535	51.9
188.07903	2.5
189.09096	24.0
191.08626	1.7
199.07567	2.8
201.09079	1.4
202.07796	1.5
203.08514	2.5
205.06992	1.0
205.08582	5.1
207.10149	1.6
211.07541	1.2
217.08571	10.1
219.08063	4.4
219.10153	3.0
220.08696	1.3
225.09291	1.3
231.08195	2.5
235.07440	1.1
235.09608	1.5
237.76181	0.8
247.07510	3.9
248.08286	3.5
251.10727	3.8
255.06488	1.5
259.07565	2.0
261.09058	1.4
263.10632	4.0
264.07935	1.7
265.08624	2.1
268.06982	0.9
270.09000	3.4
271.09607	3.7
276.07846	2.7
277.08600	1.3
277.15582	1.0
279.10184	6.3
283.09665	2.9
291.10104	8.2
292.10468	1.6
293.07925	1.0
296.10428	3.6
308.10513	1.8
309.11343	1.1
311.12756	19.8
312.13077	1.2
323.12717	17.8
329.13901	3.2
341.13840	36.6
342.14178	3.1
358.72858	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.3
57.03429	5.4
59.05009	2.3
61.02929	1.9
65.03926	1.7
69.03428	21.7
69.23024	7.4
70.06576	2.9
71.04942	1.9
73.02901	1.4
79.05487	5.1
81.03423	2.4
81.07076	1.6
83.04987	3.4
85.02895	14.9
87.04465	10.4
91.05476	34.3
93.07037	2.9
94.04205	1.9
95.04957	4.0
97.02886	16.1
103.05467	38.1
105.03394	8.5
105.07019	19.7
107.04926	6.3
107.08533	2.1
109.02858	1.4
109.06505	6.9
111.04455	1.8
115.03931	13.0
115.05456	5.5
117.07066	2.3
118.04211	1.4
119.04939	49.7
119.08585	2.0
121.06528	4.0
122.03658	5.5
123.04415	1.4
123.08089	3.1
127.03909	3.3
127.04834	1.3
128.06227	2.1
129.06955	6.8
130.04086	1.5
131.04927	93.4
132.05296	4.2
133.02853	3.5
133.04958	10.3
133.06485	22.1
135.08049	2.5
137.05971	100.0
138.06306	2.5
143.04924	3.1
143.06065	2.0
144.05666	1.5
144.57430	1.5
145.04970	3.0
145.06490	3.2
146.03726	1.3
147.04396	21.1
149.05962	5.9
150.07613	3.7
151.07541	20.1
153.05400	1.7
157.06482	4.0
159.08067	4.1
160.05244	2.0
161.05969	76.4
162.06763	7.9
163.07533	51.5
165.05476	4.4
167.10632	1.5
171.08017	1.4
172.05157	3.1
174.06776	1.9
175.07520	30.4
177.05388	2.3
177.09067	1.3
179.07033	24.7
179.08488	2.1
187.05965	1.0
187.07532	27.0
187.09099	2.1
188.07977	2.1
189.09146	7.9
191.08459	2.1
193.08536	6.7
202.07918	1.6
203.06828	1.7
203.08545	1.6
205.01086	1.3
205.08614	12.5
217.08598	9.6
219.08022	5.9
219.10164	2.0
231.08018	3.3
235.09682	4.3
237.09134	1.7
247.07591	4.8
248.08112	2.9
251.10681	6.1
253.08713	1.4
259.07620	2.6
263.10733	1.7
279.10083	7.1
280.10654	2.0
291.10263	8.1
296.10324	1.8
309.11261	9.2
311.12744	17.4
312.13153	2.7
323.12677	11.6
329.13834	4.4
341.13837	18.3
342.14276	1.9
359.14838	3.5
698.10602	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01871	5.7
55.05513	10.2
57.03440	8.0
57.07062	0.4
59.05004	2.2
61.02922	2.8
65.03923	0.7
67.05505	7.6
69.03422	1.6
69.07076	2.0
70.66126	0.4
71.01337	0.6
71.04990	2.1
73.02921	0.9
75.32018	0.4
79.05494	14.3
81.03415	8.3
81.07057	13.2
83.01341	6.3
83.01803	0.6
83.04983	8.2
83.08616	7.4
85.02915	4.7
85.06553	0.9
91.03948	1.3
91.05476	9.3
91.49194	0.4
92.05836	0.5
93.07044	18.0
94.26271	0.4
95.04974	5.3
95.08603	5.9
97.02887	3.0
97.06539	3.2
97.10178	0.9
99.04463	2.3
105.04477	0.5
105.07027	6.1
107.04964	6.3
107.08595	9.5
108.08916	0.5
108.59159	0.4
109.00790	0.3
109.02868	0.4
109.06518	5.9
109.10156	1.1
111.04428	1.6
111.08077	1.1
117.07017	6.3
119.08578	6.5
121.06516	2.7
121.10143	5.7
123.04406	0.5
123.08067	6.7
125.06006	1.3
125.09635	0.6
129.06998	1.1
130.07780	1.1
131.08553	1.8
133.10115	1.1
135.08057	1.6
135.11690	9.5
137.09637	0.8
139.07536	0.7
143.08507	0.8
145.06459	0.9
145.10120	11.9
146.10373	0.5
147.08028	1.9
149.09570	0.7
153.12744	2.1
155.08548	1.3
163.11177	18.6
164.11465	0.7
173.09630	2.9
181.12216	2.7
191.10680	1.6
207.65971	0.4
209.11713	6.2
227.12798	3.7
265.14368	0.5
277.34003	0.5
283.15396	100.0
284.15726	5.9
353.15659	0.4
363.35303	0.4
467.73743	0.4
473.24435	0.5
491.26382	45.4
492.26852	4.8
513.53790	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.4
51.39143	0.3
53.03944	1.6
55.01876	5.4
55.05512	11.6
56.94299	0.3
57.03440	8.3
57.07066	0.6
59.05003	2.5
61.02924	3.5
65.03917	0.5
67.05509	8.5
69.03427	1.7
69.07070	2.5
69.13102	2.8
71.01318	1.2
71.04997	2.4
73.02892	0.9
79.05493	15.7
80.05810	0.5
81.03421	7.8
81.07058	12.2
82.07369	0.3
83.01344	8.2
83.04982	9.2
83.08168	0.5
83.08620	7.8
85.02901	4.1
85.06505	0.8
91.03931	1.2
91.05482	9.7
92.05766	0.4
93.07044	19.6
94.07355	0.6
95.04967	5.8
95.08066	0.3
95.08611	5.2
97.02888	3.4
97.05989	0.4
97.06537	3.6
97.10133	1.4
99.04459	2.3
103.05449	0.5
105.04469	0.4
105.06397	0.5
105.07034	7.5
107.04294	0.4
107.04958	5.9
107.08594	10.2
109.02894	0.6
109.06529	7.1
109.10119	1.0
111.04459	1.9
111.08076	1.4
115.05423	0.3
116.06210	0.3
117.07027	6.2
119.07793	0.4
119.08590	6.2
120.08942	0.3
121.06533	2.4
121.10148	5.9
123.04414	0.5
123.08068	6.9
124.08540	0.3
125.05959	1.2
125.09579	0.9
127.03882	0.4
129.07002	1.2
130.07770	1.1
131.04973	0.3
131.08575	2.4
133.10123	1.5
135.08076	1.6
135.10670	0.5
135.11691	8.6
136.11978	0.5
137.09572	1.1
139.07532	0.8
143.08556	0.9
145.06439	0.9
145.10129	12.3
145.97682	0.3
146.10464	0.7
147.07982	1.5
147.11674	0.4
149.05994	0.4
149.09604	0.6
151.11157	0.5
153.12756	2.5
155.08533	0.9
163.11183	19.4
164.11504	0.8
173.09627	2.7
181.12253	2.9
191.10693	2.5
209.11752	6.4
210.12125	0.3
214.55028	0.3
227.12790	4.0
283.15399	100.0
284.15765	6.8
473.25031	0.4
491.26398	43.2
492.26712	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	688.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86729	1.6
53.03949	4.3
53.29967	1.3
54.18652	1.3
55.01883	7.5
55.05518	16.1
57.03434	11.4
59.05005	2.5
61.02939	4.1
64.15052	1.4
65.03953	1.3
67.05508	19.1
69.03435	3.9
69.07079	19.4
71.05001	3.9
71.28568	2.6
79.05499	26.4
79.05916	2.5
81.03417	21.6
81.07063	21.6
83.01357	6.9
83.04987	16.6
83.08625	11.0
85.02898	9.6
85.06544	2.1
86.09739	1.7
89.29349	1.4
91.05479	24.3
93.07051	29.2
93.07628	1.8
95.04958	10.1
95.08611	11.0
97.02880	6.6
97.06541	6.9
97.10226	2.4
99.04453	3.4
105.04496	1.5
105.07033	15.8
107.04963	10.0
107.08601	14.9
109.02869	2.8
109.06514	8.0
109.10172	4.4
111.04461	4.1
111.08071	3.1
111.11711	6.6
117.07003	9.7
119.08593	12.8
121.06525	2.6
121.10143	8.0
123.08054	7.1
125.06031	2.4
127.03952	3.3
129.07013	6.5
129.12766	7.5
131.08578	5.2
133.10152	5.3
135.08052	2.0
135.11696	15.3
137.09619	1.7
145.10101	15.9
147.11713	5.5
149.02364	7.8
149.09627	2.2
153.12755	3.8
155.08549	2.2
157.10178	2.3
163.11185	22.2
167.03464	3.5
169.06596	1.4
171.11713	3.0
173.09642	4.0
175.11148	2.6
181.12234	5.2
191.10658	2.6
193.12315	2.9
207.13820	1.7
209.11748	7.0
211.13345	3.9
220.77827	1.7
227.12784	7.5
255.15836	3.3
267.15936	3.5
271.10123	1.5
281.17542	5.1
283.15408	100.0
284.15991	7.2
285.17065	3.5
304.92740	1.5
353.15833	2.1
427.19678	2.4
463.26862	4.8
473.29092	7.4
491.25943	36.9
492.26706	4.7
618.14197	1.7
635.30255	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.0
55.01876	5.7
55.05512	27.3
57.03438	17.4
57.07076	6.5
58.06600	2.4
59.04990	2.1
60.08180	1.2
61.02924	4.3
65.03928	2.0
67.05507	26.8
69.03437	2.3
69.07069	25.7
69.07423	1.9
70.31530	1.7
70.31886	2.3
71.04996	3.2
71.08628	5.9
73.02909	2.3
73.06538	1.4
79.05492	25.9
80.05817	1.7
81.03414	12.5
81.07053	28.6
82.07407	1.2
83.01344	6.0
83.04976	8.5
83.08620	30.0
83.09119	1.6
85.02901	8.1
85.06555	2.0
85.09721	0.8
85.10207	3.5
85.39127	0.9
86.09727	2.3
87.04446	1.1
87.15088	0.8
89.06032	5.0
91.03955	2.0
91.05470	12.1
93.07046	30.7
95.04955	5.4
95.08604	21.4
96.08958	1.1
97.02882	6.8
97.06535	6.8
97.10175	9.0
99.04461	2.0
99.08096	3.6
105.07030	11.7
107.04960	5.5
107.08597	16.1
109.02876	1.1
109.06501	3.8
109.10159	13.1
111.04472	1.7
111.08102	4.6
117.07009	6.6
119.08565	8.5
121.06510	2.3
121.10147	20.5
123.07272	0.9
123.08056	5.7
123.11691	2.5
125.00010	1.5
125.09620	3.8
127.03827	1.3
129.07021	2.6
130.07880	1.2
131.08545	5.1
133.08620	3.4
133.10129	3.4
135.08034	2.6
135.11694	15.0
137.09647	1.7
139.11197	1.7
143.08548	1.7
144.10204	1.1
145.04968	1.0
145.10112	12.7
147.08089	2.3
147.11655	2.3
149.13289	2.5
153.12750	3.4
155.08450	2.1
159.11757	1.8
163.11183	17.9
169.10130	1.5
173.09651	2.0
173.13217	1.7
181.12234	2.0
184.07343	7.8
191.10686	1.9
191.17958	4.2
209.11688	4.9
209.19037	3.7
227.12781	4.1
236.14961	4.3
255.12358	1.1
283.15427	93.2
283.22650	100.0
284.15915	5.2
284.22983	8.1
353.16193	1.2
384.12335	0.9
417.56558	1.1
491.33658	82.5
492.33929	9.9
527.37878	4.9
635.39258	1.2
652.47449	2.1
688.48181	1.5
689.42255	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	688.427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01674	0.7
55.01874	7.0
55.05514	16.4
57.03438	14.9
57.07078	7.8
58.06579	0.8
59.00617	0.6
61.02925	6.0
65.03927	2.2
66.17023	0.7
66.32419	0.7
67.05509	25.2
69.03419	2.4
69.07071	25.0
71.04985	1.8
71.08633	4.1
72.58202	0.7
73.02898	2.0
79.05494	33.0
80.05817	0.9
81.03420	6.0
81.04175	0.8
81.07060	21.1
82.07369	0.7
83.01352	6.3
83.04961	2.0
83.08617	15.6
85.02910	6.8
85.06538	1.2
85.10172	2.1
86.09686	1.5
89.06040	9.7
91.03942	2.2
91.05482	46.5
92.05805	0.8
92.87077	0.9
93.07044	25.3
95.04948	2.9
95.08604	15.4
97.02891	4.3
97.06535	3.8
97.10175	8.6
99.04440	1.1
99.08059	0.9
105.07034	4.2
107.04971	4.7
107.08598	26.3
108.08920	0.8
109.06496	2.9
109.10154	8.7
111.04466	1.9
111.08092	3.4
111.11722	1.4
115.05482	4.9
117.07018	37.8
118.07384	1.2
119.08576	4.0
120.51117	0.7
121.10149	11.3
123.08063	0.8
123.11713	3.0
124.99999	0.7
125.09580	1.9
127.03942	0.9
129.05479	1.0
131.08591	1.4
133.06473	0.8
133.08597	6.1
135.08058	44.2
135.11688	7.7
136.08421	1.1
137.09547	1.1
137.13231	1.7
139.11186	0.9
143.07011	2.1
145.06497	0.9
149.13269	3.4
153.09142	1.2
153.12761	1.1
163.07529	6.4
163.14830	1.3
175.09598	0.9
177.11171	1.1
181.08626	3.5
184.07347	4.8
199.09666	2.7
219.21014	2.1
222.14316	0.9
229.14240	0.9
231.12259	1.7
235.16872	0.9
236.14894	1.6
237.22125	2.5
255.12274	100.0
256.12579	4.3
283.15457	2.4
311.25797	89.8
312.26135	5.1
335.25696	3.0
336.26059	0.9
473.32336	1.0
491.33636	50.7
492.33966	6.2
688.50220	1.5
689.38428	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	688.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.4
56.05029	1.0
57.03436	1.4
57.07072	0.5
58.06607	0.4
59.05000	0.5
60.08164	6.3
61.02938	0.3
67.05505	8.7
68.05820	0.3
69.07069	1.9
71.04994	0.5
71.07375	3.6
71.08630	0.3
79.05490	1.3
81.03419	0.3
81.07059	4.0
82.07383	0.2
83.04973	0.4
83.08616	1.3
85.02900	0.5
85.10231	0.2
86.09705	33.8
87.10035	0.6
91.05471	1.0
93.07037	1.8
95.04958	0.2
95.08616	2.8
97.02876	0.2
97.06551	0.4
97.10195	0.5
98.98469	3.9
104.10744	2.5
105.07018	0.7
107.08606	1.1
109.10154	6.7
111.08083	0.5
117.07047	0.3
119.08597	0.7
121.10117	0.6
123.11705	0.4
123.26070	0.2
125.00003	23.0
133.10124	0.4
135.11710	0.5
143.01056	0.3
145.10161	0.2
149.13255	0.3
155.10625	0.5
163.14876	0.3
173.11775	1.4
173.13060	0.3
175.14726	0.2
184.07339	100.0
185.07753	1.4
185.09216	0.3
229.14352	9.7
230.14700	0.4
236.14867	0.5
255.15944	0.5
308.29575	0.4
311.25790	0.5
337.27344	6.6
338.27594	0.4
340.02625	0.2
491.37338	4.9
492.37372	0.3
688.45111	4.9
689.44714	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	1.6
55.01891	1.4
55.05518	15.3
57.03444	14.1
57.07080	4.5
58.06584	1.9
60.08177	6.0
61.02905	2.4
67.05511	36.4
69.03432	1.3
69.07076	19.6
71.01344	2.0
71.07388	3.0
71.08646	2.2
79.05499	21.8
80.42450	1.1
81.03406	3.6
81.07068	23.0
83.04971	7.2
83.08626	14.9
85.02913	2.7
85.06549	2.2
85.10216	2.7
86.09710	29.5
87.81573	1.2
89.06051	1.3
91.05482	10.1
93.07047	28.9
95.04987	1.5
95.08608	17.2
97.06527	8.5
97.10187	9.8
98.98457	1.9
99.08095	2.5
104.10740	2.4
105.07047	4.4
107.08608	19.9
109.10151	8.7
111.08084	3.8
111.11713	1.6
117.07058	1.8
119.08566	4.1
121.06454	1.6
121.10152	9.6
123.11758	2.3
125.00014	20.8
125.09562	1.9
133.08580	1.6
133.10158	4.1
135.11710	30.3
136.12059	1.7
145.10115	5.7
149.13248	1.7
153.12758	2.9
163.11215	4.6
171.11801	1.4
173.11774	2.4
181.12212	6.8
184.07358	100.0
211.40553	1.6
219.21254	1.5
226.91869	1.3
229.14384	7.1
236.14967	2.4
237.22185	1.8
255.15923	77.4
256.16122	3.2
269.17636	1.4
283.15402	2.2
311.25800	41.2
312.26111	2.8
337.27344	4.4
420.98953	1.5
491.37372	72.7
492.37878	8.9
688.45203	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	688.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09032	2.4
55.01867	4.1
55.05512	26.8
57.03431	18.2
57.07076	8.6
58.06604	2.4
60.08153	7.8
61.02908	4.6
65.03956	2.5
67.05178	3.7
67.05505	42.7
69.07072	28.1
71.04981	3.2
71.08639	3.6
73.02877	2.9
79.05501	39.2
81.03412	4.7
81.07054	36.3
83.04982	10.6
83.08624	22.8
85.02929	4.6
85.06549	4.8
86.09712	32.1
88.07501	3.2
89.06069	4.0
91.05493	10.6
93.07049	44.5
95.04975	4.1
95.08610	24.9
97.06525	11.2
97.10155	17.4
98.98489	4.0
99.08112	3.0
104.10716	3.1
105.07023	7.3
107.08591	23.8
109.10123	15.8
111.08099	3.9
111.11685	3.0
113.12384	2.5
119.08562	6.5
119.34427	2.8
121.10164	11.9
125.00009	21.2
125.09595	3.1
133.10153	6.2
135.11694	37.3
145.10117	6.6
163.11174	4.8
173.11739	3.3
181.12270	8.9
184.05711	5.8
184.07347	100.0
226.52713	3.6
229.14377	8.1
237.22218	3.2
237.49478	2.4
255.15909	87.9
256.16257	6.8
283.15256	3.7
311.25778	56.2
312.26306	5.4
337.27426	6.1
491.37302	97.9
492.37393	13.2
586.65820	3.4
688.47235	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	689.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.1
57.03415	1.0
57.07079	5.4
67.05501	4.0
69.07072	2.9
69.58780	1.9
69.59193	3.8
71.08637	4.2
79.05501	2.6
81.03446	2.2
81.07062	3.7
83.08617	3.1
85.10206	1.8
86.09730	1.6
87.04457	1.6
89.06016	7.8
91.05489	3.9
93.07069	2.6
95.04942	1.7
95.08629	3.3
98.23296	2.0
105.07018	2.0
107.08611	1.2
109.10188	1.5
117.07063	1.4
123.32647	1.3
126.51614	0.9
133.08620	4.5
135.11691	1.2
168.00790	1.0
177.11311	1.2
184.07394	4.9
188.26364	1.0
283.15536	2.0
384.12244	3.7
385.12918	8.7
386.14066	3.3
397.13324	1.2
398.13889	10.3
399.14539	18.7
400.15393	25.7
401.16003	6.3
411.14615	3.6
412.15213	9.6
413.16074	22.4
414.16794	16.8
415.17343	1.9
416.15039	3.3
417.15479	1.6
418.17639	4.1
424.15289	1.7
425.16486	2.3
426.16803	4.3
427.12857	2.3
427.18323	17.7
428.18625	24.1
429.19415	14.9
430.19437	2.0
432.15811	1.3
440.14523	1.6
441.14728	8.3
442.16251	15.1
443.17004	1.5
444.14383	3.6
445.18878	1.9
446.17178	2.1
453.15451	2.2
455.17102	47.5
456.17728	26.0
457.18631	2.4
458.15643	4.8
458.46964	1.1
459.16614	8.2
460.17035	2.8
468.18103	1.1
469.15027	4.0
471.16898	1.9
472.17801	1.7
473.18353	1.4
481.15204	3.3
482.15442	2.0
483.16647	35.6
484.16589	12.3
485.16833	1.1
486.19366	2.2
487.16180	4.0
487.20392	2.4
488.16577	2.4
495.17136	2.3
499.16232	10.4
500.16589	3.0
501.17499	2.3
510.19254	1.7
511.20670	5.1
513.13904	1.1
515.19330	3.2
516.19965	1.4
523.16412	2.3
524.17133	1.7
527.15558	32.8
527.37183	1.1
528.15906	15.9
529.16321	2.3
537.17761	2.7
538.18219	2.5
539.19263	13.8
540.19183	3.0
541.20636	1.6
543.22430	26.0
544.22766	3.2
555.18561	1.4
569.20343	1.9
571.21899	100.0
572.22168	18.6
572.30237	0.7
574.24335	9.5
575.24384	2.7
587.21094	3.9
601.23126	10.2
602.23676	47.0
603.23834	8.3
615.20789	4.0
617.25739	4.3
629.22424	43.2
630.22864	53.3
631.22864	8.3
633.25421	1.5
643.23230	1.2
657.21887	59.3
658.22180	12.7
661.24939	6.1
662.24915	1.9
689.24500	21.5
689.41589	2.6
690.24567	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	689.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.3
65.03896	0.6
67.05506	2.3
67.39124	0.5
68.77154	0.5
69.03459	0.6
69.07056	1.7
69.80682	1.8
69.81039	0.9
79.05499	1.7
81.03419	1.8
81.07072	2.7
83.04990	1.1
83.08622	0.8
85.06516	0.5
91.05468	1.9
92.05804	0.6
93.07042	2.1
95.04981	0.8
95.08598	1.8
96.43244	0.6
97.27102	0.5
105.07051	1.9
107.08572	1.0
109.06564	0.7
109.10186	0.9
115.05443	0.6
117.07027	1.3
119.08574	1.3
121.10134	0.6
125.00060	0.7
129.07094	0.8
131.08578	1.1
133.10118	0.9
133.35576	0.5
136.90863	0.5
184.07368	0.6
283.15298	0.9
384.12131	1.3
385.13574	1.2
397.13205	1.2
398.13788	6.8
399.14551	5.1
400.16452	6.3
401.16669	1.1
403.15378	1.1
411.14606	2.2
412.15302	8.6
412.20197	0.9
413.16083	11.3
414.16501	2.2
416.14694	2.9
418.17651	3.0
419.17700	0.7
424.15466	0.6
425.11697	0.9
425.16730	1.2
426.17249	3.1
427.17746	11.4
428.18710	12.3
429.19424	3.1
430.16385	1.8
439.13779	0.8
440.14267	1.0
441.15051	3.8
442.16193	0.7
443.13538	1.0
444.14035	2.6
445.18695	1.6
446.17218	2.3
453.15668	1.1
455.17136	41.8
456.17627	10.1
457.14368	2.9
458.15802	6.2
459.16562	6.3
460.16959	1.5
469.15103	1.7
471.16666	2.9
472.17545	2.6
473.18286	1.0
479.13547	0.7
480.14478	0.7
483.16608	33.9
484.16824	7.5
485.14325	0.8
486.19177	3.9
487.14716	0.6
487.19534	5.6
488.18744	1.0
495.16641	1.2
497.18463	0.6
499.16327	1.6
500.16632	1.2
501.17978	1.1
509.18753	1.1
513.17896	1.4
515.19122	5.0
516.19708	2.7
523.16022	2.9
527.15204	5.9
527.37524	1.0
528.16016	2.0
538.18054	1.4
542.21497	0.8
555.18488	4.1
569.20203	1.6
570.20471	2.4
571.21259	1.1
574.24298	13.7
575.24872	2.6
587.21552	2.7
597.19714	1.1
601.22913	9.2
602.23694	100.0
603.23975	21.4
612.22302	0.9
614.20093	0.7
629.22443	24.9
630.22693	6.9
633.25415	3.8
634.25281	0.7
643.23944	4.7
644.24115	0.8
657.21863	15.1
658.22394	2.9
661.25171	4.1
662.25293	0.9
689.24408	4.9
689.36084	0.8
689.41016	1.5
690.24982	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
55.01874	0.6
55.05507	1.8
57.03442	1.5
57.93512	0.3
60.78571	0.3
61.02927	4.0
61.03196	0.5
61.40115	0.3
65.03950	0.5
65.31664	0.3
65.52161	0.3
66.67329	0.3
67.05504	4.8
67.27199	0.3
69.03444	1.4
69.07081	1.2
71.05013	0.7
73.02906	2.9
76.53954	0.3
79.05490	7.2
81.03414	3.8
81.07055	4.9
81.07464	0.5
83.04995	1.1
83.08624	1.0
85.02905	3.1
85.06545	0.6
86.09698	0.4
91.03957	2.4
91.05482	7.4
91.06005	0.5
93.07045	5.8
93.07555	0.5
94.41180	0.4
95.04995	1.5
95.08614	3.1
97.02892	3.3
97.06560	0.5
97.10178	0.4
98.23436	0.7
99.04482	0.6
99.42355	0.4
101.02380	1.7
102.12224	0.3
103.05553	0.3
105.07023	5.0
107.04984	0.7
107.08596	2.1
109.02903	0.8
109.06556	0.9
109.10121	0.7
116.97047	0.3
117.07038	1.2
119.08597	2.9
121.06538	0.5
121.10163	0.9
123.08058	0.9
127.03951	1.6
127.07542	0.4
128.06279	0.5
129.06993	2.0
131.08630	0.5
133.06487	0.4
133.10165	1.6
135.11684	0.4
137.05922	0.4
143.08580	0.8
145.05110	0.4
145.10181	1.4
147.11670	2.8
161.09706	0.5
161.13307	1.0
171.11719	1.9
173.70110	0.3
184.07433	0.4
185.04265	0.5
189.12718	0.5
203.05435	0.5
207.13803	0.8
229.14580	0.4
243.08374	2.4
247.12999	2.3
281.17557	0.7
303.15689	0.7
337.14505	0.3
338.53296	0.5
465.21021	15.2
466.21420	1.0
500.97031	0.5
689.34949	100.0
690.35266	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75140	0.4
53.03944	1.2
55.01871	0.9
55.05519	2.5
56.05838	0.4
57.03438	2.2
61.02926	5.9
67.05505	7.7
69.03432	3.2
69.07068	2.0
71.04977	0.8
71.27139	0.4
73.02915	4.3
75.96368	0.4
79.05497	8.0
80.05826	1.0
81.03424	3.1
81.07062	6.1
82.07400	0.7
83.04992	0.8
83.08621	1.8
85.02908	6.1
85.06541	0.6
89.06016	0.4
91.03953	3.0
91.05482	4.1
93.07041	7.5
95.04971	1.3
95.08611	4.1
97.02898	4.9
97.06545	0.9
97.10184	1.0
98.03250	0.4
99.04471	1.0
101.02393	1.7
101.39170	0.4
103.05555	0.4
105.07036	2.4
107.08588	3.4
109.02901	1.3
109.06549	0.6
109.10188	1.9
110.47059	0.4
115.03819	0.6
117.07014	1.0
119.08559	2.0
121.10139	3.7
123.08091	0.5
125.09628	1.5
127.03954	1.4
129.07051	0.6
131.08568	1.5
133.10144	1.1
133.53630	0.5
135.11681	2.5
145.10161	1.5
147.11710	0.5
149.13252	0.6
159.11620	0.8
163.11229	0.9
173.13335	0.5
184.07401	1.3
185.04179	0.7
199.13680	0.4
203.05269	0.7
215.17995	0.5
221.11545	1.1
229.54643	0.5
243.08458	1.5
256.50189	0.6
259.15488	1.0
260.15582	0.5
268.27029	0.5
283.15317	2.2
283.22937	0.5
284.15775	1.1
307.22656	2.0
308.23148	1.5
400.98340	0.5
439.19360	3.9
491.26099	9.9
492.26697	1.0
492.34015	1.2
689.38641	100.0
690.38983	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	690.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
55.01867	6.8
55.05511	14.0
56.90823	1.0
57.03442	11.8
59.04988	2.2
61.02917	4.2
65.03931	1.6
67.05504	18.5
69.03418	3.8
69.07056	3.7
71.01366	1.2
71.04991	4.6
73.02891	1.4
73.78417	1.0
79.05065	1.9
79.05494	24.1
81.03419	43.4
81.07055	23.1
83.01346	5.1
83.04980	16.0
83.08617	17.7
85.02911	17.8
85.06533	2.6
91.03933	2.2
91.05476	24.4
93.07046	19.9
95.04968	18.1
95.08595	8.8
97.02893	5.8
97.06526	3.9
97.10156	3.2
99.04436	1.8
105.07031	18.8
107.04947	9.5
107.08591	11.1
108.08883	1.1
109.06509	6.6
109.10138	2.5
111.04454	3.3
111.08096	7.0
113.05987	1.4
115.05477	1.2
117.07014	4.3
119.08570	17.7
121.06478	3.6
121.10152	8.9
123.08047	7.0
125.09634	3.0
129.07047	6.4
131.08539	7.9
133.06503	2.5
133.10095	7.2
135.08020	1.7
135.11708	7.2
137.09573	2.1
145.10109	8.5
147.08037	2.5
147.11734	7.8
149.09583	3.5
153.12730	2.1
157.10136	9.1
163.11186	16.4
165.12766	1.9
173.09602	2.0
175.11189	9.8
181.12291	2.0
191.10594	2.3
193.12248	25.9
194.12607	1.7
209.11757	4.9
211.13286	51.5
212.13705	2.3
227.12837	2.8
228.80984	1.3
229.19440	1.0
267.15964	9.9
268.16165	1.1
283.15408	56.8
284.15707	4.2
285.16940	38.3
286.17337	1.8
383.22040	2.6
401.23178	1.8
420.90756	1.1
457.25745	3.1
475.26776	11.1
493.27951	100.0
494.28116	9.7
621.30438	1.1
713.94824	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	4.1
53.03948	8.4
55.01874	23.7
55.05508	41.0
57.03445	37.5
57.07084	6.3
58.48842	3.4
61.02932	13.3
65.03938	7.1
67.05505	77.4
68.00112	3.2
69.03436	16.9
69.07075	23.3
69.10987	31.0
71.05001	9.1
73.02922	14.1
75.27940	2.9
79.05498	59.6
81.02982	5.3
81.03422	48.5
81.07066	63.1
83.01344	3.8
83.04984	29.6
83.08628	23.9
85.02904	28.8
85.06541	4.7
87.04495	3.8
90.57038	2.9
91.03951	3.6
91.05483	48.4
93.07049	46.5
95.04959	27.0
95.08597	25.6
97.02904	12.8
97.06535	19.1
97.10164	21.5
99.08123	4.3
99.51161	3.1
105.07029	30.4
107.04942	14.9
107.08598	29.1
109.06528	7.7
109.10165	28.6
111.04437	5.5
111.08090	7.5
116.04720	29.0
117.05548	4.2
117.07019	13.4
119.08587	27.6
121.06491	9.4
121.10121	20.8
123.04398	3.9
123.08079	10.3
123.11697	4.3
125.09650	13.8
128.06184	3.3
129.05481	56.4
129.07031	11.5
131.08600	18.7
133.10149	17.8
135.08090	6.0
135.11697	12.2
137.09592	7.5
143.07033	21.5
143.08583	5.0
145.10173	18.8
147.08047	4.6
147.11717	16.3
149.09610	11.9
157.08620	48.1
157.10072	8.7
163.11183	19.6
169.10124	4.2
171.10190	10.6
173.11797	5.1
175.11205	11.6
181.12231	4.8
185.11824	5.0
189.11234	5.8
191.10704	7.6
193.12236	31.3
194.90904	3.1
199.13315	10.2
200.14113	18.1
209.11769	11.7
211.13286	21.4
227.12759	9.8
229.14371	10.8
235.13458	3.0
247.16925	3.4
255.15953	3.8
267.15970	16.7
283.15445	25.2
284.15961	4.4
285.16833	7.8
301.16458	5.3
316.38599	4.2
409.25687	4.4
420.06628	3.3
439.27133	3.2
468.08392	3.0
475.26697	14.9
492.27197	3.3
493.27921	100.0
494.28055	12.9
511.29108	70.0
512.16882	3.5
512.29199	9.8
513.17676	10.9
575.50073	11.3
691.24811	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21838	1.6
55.01876	8.4
55.05517	14.2
57.03441	15.7
57.06800	2.2
57.07078	38.1
57.26644	1.7
57.33910	1.4
58.06589	6.0
60.08157	4.4
61.02911	5.2
65.03929	2.0
67.05505	26.0
68.05830	2.7
69.03443	2.6
69.07064	14.0
71.04974	2.7
71.08636	28.4
71.29386	1.5
79.05070	2.7
79.05496	33.4
81.03403	7.9
81.07054	20.8
83.01337	7.3
83.04976	4.1
83.08618	14.0
85.02896	7.4
85.10188	13.4
86.09702	5.9
91.03938	2.1
91.05478	50.6
93.07045	24.2
95.04974	3.4
95.08603	22.5
97.02883	3.3
97.06509	3.6
97.10181	8.5
98.98460	4.8
105.07025	5.0
107.04937	6.8
107.08598	20.6
109.06532	3.3
109.10181	11.1
110.10454	2.2
111.04457	2.2
115.05448	6.9
117.07018	37.9
119.08573	6.9
121.10162	1.9
123.11681	3.3
125.00002	7.4
129.07088	2.2
135.08055	45.7
135.11705	3.1
136.25145	1.4
145.06531	2.3
147.11635	1.6
153.09041	2.0
163.07565	7.3
163.11185	3.1
165.70049	1.6
181.08636	2.0
184.07359	18.2
185.07690	6.6
186.07832	2.5
199.09622	3.5
209.11702	2.1
215.44157	1.5
229.14378	4.0
236.14890	11.4
255.12256	91.1
256.12564	4.9
311.25894	2.1
313.27344	100.0
314.27689	7.6
323.43719	1.7
337.27249	2.2
406.02536	1.7
428.26385	2.3
452.21500	2.2
493.35135	46.9
494.35330	4.8
519.36774	23.1
534.86920	1.7
547.43982	1.9
575.50439	3.7
576.51160	2.0
690.49554	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	690.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
55.01863	6.0
55.05512	18.6
57.03441	15.1
57.07080	31.6
57.10671	0.8
58.06589	2.6
59.04987	2.1
61.02925	8.8
63.30112	0.8
65.03945	1.6
67.05505	22.3
68.05836	0.9
69.03431	2.6
69.07066	13.0
70.66272	1.7
71.05006	2.3
71.08633	23.7
73.02916	2.9
76.63409	0.8
79.05495	17.0
81.03415	9.6
81.06583	1.7
81.07059	26.6
83.01340	5.8
83.04987	9.2
83.08614	13.2
85.02901	9.4
85.06568	1.8
85.10184	12.7
86.09732	1.9
89.06026	2.2
91.03956	2.5
91.05479	11.3
93.07047	20.7
95.04976	6.0
95.08607	27.0
97.02894	7.4
97.06528	4.5
97.10169	6.4
98.98454	1.5
99.04437	2.6
102.02486	0.9
103.07566	1.3
105.07028	8.0
107.04988	5.2
107.08584	11.6
109.02854	1.1
109.06535	4.8
109.10150	11.1
111.04429	2.9
111.08075	2.3
111.11720	3.5
117.07008	4.6
117.09146	1.1
118.07229	0.9
119.08588	7.7
121.06487	3.0
121.10134	5.9
123.08095	5.7
123.11720	3.7
125.00069	1.0
125.05922	1.4
125.09629	2.3
127.03922	1.6
130.07747	1.5
131.08574	3.3
133.10091	2.6
135.08035	2.2
135.11699	7.4
137.09668	1.5
145.10123	12.3
147.08060	1.6
152.05669	1.1
153.12756	2.1
163.11186	17.7
164.11546	0.9
173.09637	3.6
174.85925	0.9
181.12259	2.2
184.07370	6.7
184.08849	1.3
185.07712	0.9
191.10637	1.7
209.11694	6.8
211.20535	3.3
227.12746	4.1
229.21686	3.0
236.14970	4.0
259.15250	1.3
283.15402	78.8
284.15894	3.2
285.24240	100.0
286.24564	7.4
309.24283	2.3
337.83337	1.0
354.15146	1.0
413.17810	2.3
493.35239	79.0
494.35452	8.7
519.29547	1.2
519.36908	3.1
575.49493	1.7
690.49072	3.5
691.40210	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	15.8
57.03434	7.9
57.07071	9.0
59.05000	1.7
60.08162	2.4
60.88940	1.5
61.02924	3.0
65.03957	2.6
67.05506	60.1
69.03452	2.1
69.07071	15.5
69.48245	9.1
71.04993	3.3
71.08656	2.2
73.51083	1.5
75.90051	1.8
76.91201	1.8
79.05505	7.8
81.03381	1.7
81.07059	22.9
83.04968	2.2
83.08615	17.3
85.02900	4.1
85.06519	1.7
85.10192	2.1
86.09700	7.5
91.03963	2.1
91.05482	4.5
93.07022	9.0
95.08603	13.5
97.02908	2.2
97.06522	2.2
97.10175	7.3
98.98502	2.3
107.08586	5.1
108.56696	1.5
109.10155	56.6
111.08092	4.7
111.11745	2.6
117.11466	1.5
119.08603	4.7
121.10166	4.2
123.11768	2.0
125.00041	6.5
135.11700	5.7
137.09552	1.7
139.38647	1.6
139.61700	1.6
155.10648	5.2
173.11748	17.9
184.07341	26.7
229.14343	100.0
230.14810	5.4
236.14964	1.8
339.28937	74.1
340.29236	5.2
493.38831	55.1
494.39420	7.3
519.36609	6.1
690.47455	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	690.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01873	1.9
55.05506	18.0
57.03439	23.0
57.06799	2.0
57.07077	31.8
58.06593	1.9
59.07886	1.4
61.02931	3.5
65.03963	1.6
67.05505	50.9
68.05821	1.9
69.03431	2.0
69.07072	19.4
71.01363	3.8
71.04997	3.3
71.08631	25.6
79.05495	36.2
81.03432	5.8
81.07056	30.0
83.04982	7.7
83.08624	11.8
83.82814	1.4
85.02892	2.9
85.06542	2.5
85.10182	13.7
86.09723	2.4
91.05481	13.4
93.07045	40.7
94.07378	1.6
95.04974	4.8
95.08611	29.3
97.02866	2.0
97.06529	10.9
97.10177	14.5
99.08092	3.4
103.63753	1.6
105.07042	4.7
107.04968	2.6
107.08595	26.3
109.10160	16.5
111.04434	1.5
111.08068	2.2
117.06999	4.8
119.08590	5.7
121.10151	7.4
123.11697	2.8
125.00022	2.4
131.08562	1.6
133.10138	4.0
135.08003	2.0
135.11694	44.4
136.12022	3.3
137.09682	2.0
137.13252	2.3
145.10135	8.7
153.12758	3.0
163.11188	5.7
181.12282	9.0
184.07405	8.4
193.16081	1.6
199.13245	2.5
229.14359	2.1
236.14928	5.0
239.23672	2.6
255.15915	100.0
256.16260	5.7
313.27347	54.5
314.27704	3.7
339.28900	2.4
434.85526	1.6
493.38846	78.2
494.39526	9.0
519.36621	3.2
575.50018	5.3
690.49561	3.1
691.49481	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	691.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27718	0.2
53.03942	0.8
55.01870	0.7
55.05510	2.0
57.03441	1.9
60.08904	0.2
61.02925	3.8
65.03925	0.4
67.05505	4.1
69.03433	3.0
69.07062	1.0
70.53695	0.2
71.01350	0.5
71.04990	0.8
73.02917	2.8
74.00470	0.2
79.05492	6.0
80.05798	0.3
81.03415	3.1
81.07056	4.3
82.07363	0.2
83.01352	0.4
83.04988	1.4
83.08621	1.1
85.02901	4.0
87.04476	0.3
91.03950	1.7
91.05478	4.3
93.07040	4.6
95.04948	1.7
95.08595	2.0
97.02892	4.1
97.06548	0.8
97.10175	0.4
98.22620	0.5
99.04453	1.0
101.02376	1.6
103.03955	0.4
105.04567	0.3
105.07020	3.1
107.04974	0.8
107.08592	2.1
109.02886	0.7
109.06528	0.7
109.10173	0.9
111.04436	0.3
115.03941	0.3
117.07027	2.0
119.08571	2.1
121.06528	0.4
121.10133	0.9
123.08081	1.0
127.03936	1.3
129.06998	1.4
131.08588	0.8
133.06509	0.3
133.10123	1.1
135.08072	0.9
135.11667	1.3
137.09627	0.3
143.08563	0.7
145.04964	0.3
145.10117	2.1
147.11699	2.3
161.09642	0.5
161.13348	0.6
163.11172	1.4
167.66751	0.2
169.10127	0.2
171.11766	1.3
175.11331	0.3
181.12248	0.4
185.04269	0.7
189.12782	0.5
203.05373	0.4
207.13844	0.4
209.11630	0.3
227.12744	0.3
243.08389	1.8
247.13132	1.0
247.16940	0.3
249.11067	0.5
255.12212	0.4
275.20187	0.4
283.15433	0.6
303.15732	0.3
465.14340	0.6
465.20920	9.9
466.21509	0.7
467.18924	4.8
468.19244	0.6
529.27496	0.4
576.50610	0.4
588.16577	0.2
691.32904	100.0
692.33234	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	691.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.01862	0.7
55.05510	1.6
57.03433	1.7
61.02930	4.3
67.05504	3.7
69.03426	2.6
69.07069	1.0
71.01349	0.4
71.04985	0.6
73.02918	3.2
73.06593	0.3
73.32235	0.3
79.05494	5.8
81.03429	2.9
81.07056	4.1
83.01359	0.4
83.04987	1.6
83.08624	1.2
85.02900	3.7
85.06516	0.3
87.04505	0.3
89.44314	0.2
91.03967	2.4
91.05489	4.8
93.07052	4.9
95.04944	1.3
95.08083	0.4
95.08591	1.8
97.02895	4.2
97.06531	0.8
99.04470	0.8
101.02382	2.3
103.03938	0.5
105.04650	0.3
105.07047	3.3
107.04971	0.9
107.08572	1.7
109.02911	0.7
109.06516	0.7
109.10197	0.4
111.04446	0.3
115.03924	0.4
117.07036	1.0
119.08595	2.2
121.06547	0.4
121.10132	0.6
123.08066	0.7
127.03917	1.4
128.06235	0.6
129.07016	1.2
131.08578	1.0
133.10147	1.1
135.11699	1.0
143.08556	0.8
145.10114	1.8
147.11687	2.5
161.13248	0.5
163.11148	1.4
171.11717	1.5
181.12225	0.5
185.04269	0.4
189.12956	0.3
203.05319	0.3
207.13771	0.6
243.08490	1.8
247.13136	0.7
249.11011	0.5
252.38272	0.3
264.75476	0.3
281.17563	0.6
283.15320	0.3
303.15747	0.7
429.22693	0.3
448.31790	0.4
465.20975	9.7
466.21555	0.8
467.18893	5.1
468.19373	0.4
575.50977	0.3
644.18127	0.3
691.32953	100.0
692.33337	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	691.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01878	4.1
55.05515	29.2
57.03433	3.4
57.07077	8.0
58.06606	2.0
59.04988	1.4
60.28199	1.1
67.05507	12.3
69.07069	25.6
69.07426	2.4
71.05006	1.6
71.08627	6.0
71.28636	1.6
79.05498	15.2
81.03431	8.0
81.07055	14.3
83.01336	4.4
83.05000	6.2
83.08617	22.8
85.02918	1.5
85.10181	2.7
86.09718	2.3
91.05489	10.6
93.07045	15.3
95.04977	3.5
95.08601	8.0
97.06526	2.0
97.10184	14.8
98.98490	3.2
99.04440	1.4
105.07031	7.0
107.04952	5.4
107.08593	7.9
109.06519	3.8
109.10174	3.9
111.08086	1.8
111.11713	6.1
117.06995	5.5
118.25659	1.2
119.08565	5.6
121.06478	1.8
121.10146	4.9
123.08074	3.5
125.00011	1.5
131.08557	2.9
133.10181	2.1
135.08084	1.5
135.11693	7.3
137.09650	1.5
145.10100	8.1
147.08083	1.6
147.11736	1.3
153.12738	1.8
155.01033	1.8
155.08623	1.4
163.11197	11.8
173.09621	1.6
181.12274	2.5
184.07384	7.3
191.10677	2.4
209.11703	4.4
210.45496	1.4
227.12784	3.5
229.14381	1.4
236.15025	4.0
237.22188	1.3
283.15555	1.4
311.25797	1.7
519.36810	100.0
520.37286	13.4
691.48309	3.8
692.48804	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.1
55.01877	1.4
55.05521	3.0
57.03438	3.0
57.07071	1.9
58.50432	0.5
60.08169	0.8
61.02925	6.9
67.05511	11.5
68.05818	0.5
69.03436	3.8
69.07075	3.9
69.57633	2.5
69.64677	0.4
71.05003	1.0
71.08639	1.7
72.05300	0.4
73.02924	4.0
79.05495	5.8
81.03421	4.1
81.07063	7.2
82.24265	0.4
83.04982	1.3
83.08616	3.2
85.02908	6.0
85.10217	0.8
86.09715	2.6
87.04456	0.5
91.03960	3.1
91.05484	4.0
91.93403	0.6
93.07040	4.1
95.04978	1.1
95.08624	5.0
95.60283	0.5
97.02893	6.3
97.03505	0.6
97.06534	1.1
97.10184	1.0
97.83262	0.4
98.22644	0.4
98.98473	2.4
99.04481	1.0
101.02400	2.1
103.03983	0.6
105.07018	2.1
107.04926	0.9
107.08603	2.8
108.16339	0.4
109.10156	7.2
111.04463	1.6
111.08111	0.6
111.11751	0.5
117.07049	0.8
119.08585	2.4
120.08962	0.5
121.10181	1.7
123.08038	0.5
125.00059	1.5
127.03948	1.9
131.08568	0.8
133.10127	0.9
135.11700	1.7
137.09641	0.9
142.08466	0.4
143.08562	0.5
145.10179	0.8
147.11714	0.6
149.09622	0.8
149.13304	0.5
163.11263	0.9
173.11804	1.5
184.07326	7.1
185.04288	0.6
209.11766	2.0
229.14424	0.7
236.15063	0.7
237.22321	0.6
241.38956	0.4
243.08524	1.7
257.14099	0.9
283.15454	1.8
284.15875	0.8
285.24316	2.0
286.24704	1.5
291.19733	1.3
311.25793	1.2
314.04330	0.4
346.20599	0.5
410.04739	0.5
413.17813	7.8
414.18341	0.7
426.59778	0.5
439.19501	0.8
461.58572	0.5
493.27878	2.2
493.34967	0.8
494.35547	2.8
495.36218	0.5
501.35913	0.8
519.29242	4.1
519.36932	4.7
520.37128	0.6
576.50873	0.7
691.40253	100.0
692.28638	0.9
692.40515	16.1
692.51880	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67422	0.3
53.03941	0.7
55.01873	1.1
55.05519	2.6
57.03439	2.3
57.07071	1.0
58.06615	0.4
60.08149	0.3
61.02930	5.9
67.05506	9.3
69.03432	3.7
69.07065	2.3
71.01345	0.3
71.04996	0.8
71.07372	0.3
71.08632	0.5
73.02924	4.2
79.05493	4.2
81.03428	2.2
81.07059	7.3
83.04996	1.0
83.08622	1.8
85.02912	6.2
86.09705	1.8
87.04461	0.5
91.03960	3.3
91.05489	2.5
93.07047	4.9
95.04977	0.9
95.08619	4.2
97.02891	5.8
97.06522	0.6
97.10162	0.7
98.98494	1.3
99.04465	1.2
101.02370	2.0
103.03948	0.6
105.07046	2.1
107.04957	0.6
107.08619	2.1
109.02898	0.8
109.06499	0.4
109.10147	4.5
111.04452	0.9
115.03973	0.6
117.07043	0.9
119.08603	1.4
121.10166	1.4
125.00003	1.0
127.03929	1.5
129.07047	0.4
131.08609	1.1
133.10182	1.0
134.07127	0.3
135.11717	1.3
135.94939	0.3
137.09648	0.5
139.55556	0.3
145.04938	0.4
145.10156	0.9
149.13306	0.5
155.01045	0.4
159.11687	0.5
163.11174	0.4
173.09891	0.4
173.11737	1.2
175.11166	0.3
184.07367	5.2
184.08932	0.4
185.04245	0.6
195.10010	1.0
203.05264	0.4
209.11703	2.5
218.71120	0.3
227.12828	0.5
236.14938	0.4
237.22128	0.5
243.08467	1.8
260.17361	0.3
265.14355	0.5
283.15427	0.7
311.25781	0.7
335.25864	0.7
355.74200	0.4
409.83173	0.3
413.17825	4.5
414.18427	0.4
501.35901	0.8
519.29321	10.4
519.36920	3.3
520.29578	1.1
520.36841	0.5
529.38623	0.5
576.50763	0.6
691.40234	100.0
692.40570	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	692.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	1.0
53.00317	4.6
53.03942	4.1
55.05514	10.8
57.03441	10.3
59.05005	2.4
61.02929	4.4
67.05510	13.7
69.03433	2.8
69.07070	2.5
69.51834	1.6
69.52224	2.8
71.01360	2.1
73.02927	3.8
76.68636	0.8
79.05494	49.7
80.05840	0.8
81.03422	5.7
81.07066	16.8
83.04996	3.0
83.08623	9.9
85.02902	4.3
86.09698	1.1
89.03793	0.8
91.03946	1.3
91.05489	26.6
92.05785	1.4
93.07053	14.2
95.04957	5.6
95.08613	7.8
97.02905	7.4
97.06536	4.1
97.10194	2.3
98.23313	1.8
99.00819	30.4
99.04445	0.9
99.08116	1.0
103.05465	4.2
105.07034	100.0
106.07380	3.6
107.04960	10.0
107.08604	15.5
108.67077	1.0
109.02888	10.9
109.06525	5.1
109.10156	4.3
111.04443	1.5
111.08088	3.2
115.03962	3.1
115.05468	3.1
117.06990	4.5
119.08607	7.6
121.06507	5.6
123.04459	3.9
123.08067	8.7
123.11741	1.4
125.09693	1.3
127.03925	2.9
131.08600	1.7
133.06497	37.8
133.10136	31.3
134.10475	1.3
135.04494	1.8
135.08067	5.8
135.11720	1.0
137.05983	2.9
137.09680	1.1
139.07568	3.7
143.08583	3.2
145.06540	1.5
147.04475	1.3
147.08075	1.6
151.07545	46.4
151.11183	8.2
151.16273	1.0
152.07947	2.0
153.09087	1.1
161.09631	18.0
163.07436	1.1
163.11246	1.1
165.09149	1.0
171.08054	3.5
172.22527	1.0
179.06982	5.0
179.10638	8.5
184.07458	1.2
189.09123	7.7
197.11790	2.2
207.10207	4.3
215.09212	2.8
225.11223	9.6
243.12398	2.6
253.10751	4.3
255.12265	1.5
271.11771	99.8
272.12131	6.0
281.13904	5.6
299.14896	85.7
300.15350	5.2
445.22095	1.5
463.23209	3.2
477.21060	1.8
481.24182	1.2
495.22198	76.0
496.22495	7.8
665.90930	1.0
693.26923	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22662	1.9
53.03945	6.5
55.01875	19.5
55.05513	27.0
57.03437	23.8
57.07050	2.2
59.04992	5.4
61.02927	10.0
65.03942	5.3
66.10755	1.6
67.05505	47.4
69.03428	9.6
69.07076	11.9
71.01366	3.6
71.04998	7.9
73.02905	4.1
79.05492	86.2
81.03416	83.4
81.07055	55.7
82.03782	1.9
83.01348	13.2
83.04980	32.0
83.08617	24.2
85.02901	33.6
85.06531	3.3
86.09698	3.0
87.04466	3.4
91.03944	4.1
91.05482	100.0
92.05820	3.8
93.07043	68.4
93.07630	3.3
94.07352	2.8
95.04968	36.6
95.08609	20.3
95.38368	1.5
96.05325	1.9
97.02891	15.0
97.06528	12.3
97.10169	5.6
98.23419	3.8
99.04472	5.2
99.08109	2.2
105.07033	32.1
105.07681	2.9
107.04954	33.5
107.08591	49.2
108.08918	2.3
109.02882	2.3
109.06519	17.2
109.10143	7.7
111.04444	21.3
111.08087	10.5
112.36196	1.8
113.06017	3.3
113.96589	1.5
115.03996	1.7
115.05457	6.2
117.07013	59.1
118.07397	2.0
119.05048	2.0
119.08579	29.3
120.08939	2.3
121.06535	8.5
121.10134	22.5
123.04427	2.3
123.08064	13.5
123.11693	3.2
124.07594	4.3
124.99973	2.1
125.05975	6.8
125.09619	8.7
127.03937	4.6
129.06984	12.4
130.07822	1.5
131.04922	2.0
131.08563	16.2
133.06505	5.6
133.10121	13.8
135.08052	81.3
135.11693	13.4
137.06044	2.4
137.09636	3.5
142.07788	4.0
143.08592	2.8
143.87621	1.6
145.06470	4.3
145.10110	20.9
147.08040	6.7
147.11678	18.1
149.09612	12.2
151.11183	4.6
153.09137	5.6
153.12718	9.6
155.08534	2.8
157.10092	10.0
161.09697	2.5
163.07535	29.4
163.11186	30.0
165.12787	4.2
167.10728	2.0
173.09656	7.0
175.11205	12.2
181.08588	8.5
181.12219	6.0
184.07376	10.6
191.10701	6.7
192.10901	1.8
193.12236	31.8
195.10127	2.7
199.09602	4.4
201.09848	1.6
209.09999	2.1
209.11691	11.6
211.13297	33.9
212.13699	3.8
223.13332	8.7
227.12775	9.5
237.11288	4.0
241.14195	13.0
243.08322	2.0
246.20242	1.5
253.14407	3.7
255.12251	76.5
256.12604	4.6
265.14371	6.0
267.15891	31.2
269.13953	3.5
283.15408	57.3
284.15668	5.4
285.16965	46.9
286.17343	4.6
287.14905	11.5
297.17145	2.3
299.14725	2.4
315.18021	17.6
367.22772	2.3
385.23450	5.0
427.21115	4.0
445.22147	21.4
446.22540	2.1
459.27515	17.5
460.27521	3.3
463.23242	83.4
464.23935	8.7
467.12534	1.6
467.18866	6.7
477.28833	28.1
478.28772	2.2
494.28497	3.8
495.25867	44.5
495.29361	26.7
496.25998	4.7
647.32086	2.1
660.20947	1.9
692.25934	2.9
693.30768	67.4
701.96576	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38432	1.6
53.03936	8.7
55.01870	19.7
55.05513	28.9
57.03438	26.4
57.07073	4.2
59.04987	3.0
59.56687	1.5
61.02928	11.9
65.03936	2.9
67.05505	56.4
68.05821	1.9
69.03429	11.9
69.07072	15.1
71.01347	2.3
71.04997	10.8
73.02905	4.1
79.05491	80.4
80.05054	1.8
80.05820	4.2
81.03416	86.0
81.07059	63.5
82.03732	2.6
82.07399	2.3
83.01339	10.1
83.04980	30.1
83.08623	27.2
84.05274	1.9
85.02900	32.3
85.03370	2.9
85.06542	6.3
87.04478	3.8
88.65686	1.9
91.03960	3.9
91.05481	100.0
92.05810	4.0
93.07044	65.1
94.07373	1.7
94.31824	1.6
95.04970	58.6
95.08611	28.2
97.02898	14.2
97.06537	17.6
97.10181	4.9
98.22640	4.0
99.04460	3.8
99.08085	3.0
103.03948	1.9
103.05441	1.9
105.07032	40.8
107.04957	31.5
107.07867	2.7
107.08594	50.7
108.08918	3.1
109.06519	22.9
109.10140	10.4
111.04444	20.4
111.08073	10.5
113.06035	4.5
115.05435	4.6
117.06205	3.2
117.07019	53.0
118.07324	2.1
119.04894	2.6
119.08581	31.3
121.06493	9.0
121.10142	20.3
123.08056	10.9
123.11697	3.1
124.07565	5.4
125.05990	5.4
125.09609	7.2
127.07540	1.9
129.06998	20.4
131.08577	19.9
132.08961	1.9
133.06480	4.3
133.10121	23.7
135.08054	71.9
135.11681	16.1
136.08391	2.6
137.05927	2.5
137.09557	3.7
142.07748	5.1
143.08478	1.8
145.06525	3.5
145.10123	20.2
147.08060	6.5
147.11696	25.4
149.09627	12.7
151.11137	8.2
153.09135	4.7
153.12787	7.5
155.08580	3.2
157.10121	16.9
159.08052	2.6
159.11612	1.8
163.07536	30.0
163.11166	27.7
165.12772	5.0
167.10704	2.9
171.07967	2.1
171.11697	1.8
173.09642	4.2
175.11182	16.4
181.08582	7.2
181.12221	4.0
184.07347	6.7
189.11208	1.8
191.10692	6.8
193.12230	42.6
194.12572	3.6
195.10254	4.0
199.09589	2.9
209.11731	6.3
211.13284	44.2
212.13617	4.0
223.13307	6.1
227.12743	9.3
227.49963	1.7
237.11238	7.2
241.14380	8.8
253.14391	2.1
255.12279	49.8
256.12582	2.2
265.14395	5.2
267.15906	48.4
268.16229	3.0
283.15384	50.8
284.15704	4.6
285.16959	75.8
286.17334	4.4
287.14789	13.2
315.18033	10.6
353.17435	2.0
367.22653	3.7
385.23721	4.0
403.24692	1.9
427.21005	3.8
445.22131	16.0
459.27466	13.8
460.27603	2.6
463.23227	64.2
464.23621	8.8
467.18964	6.2
477.28616	49.8
478.28720	4.2
481.25391	2.0
494.28381	2.3
495.26013	29.2
495.29395	46.5
496.29526	7.0
525.02899	1.9
692.24536	2.5
693.30701	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	692.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.2
55.01869	4.2
55.05515	18.0
57.03438	14.8
59.05010	1.3
61.02927	3.8
64.84320	1.2
65.03943	2.0
67.05506	27.9
67.15219	1.1
69.03438	5.7
69.07069	7.6
71.01305	1.7
71.04984	6.4
73.02922	1.7
77.09955	1.0
79.05495	36.4
80.05843	1.0
81.03421	87.6
81.07058	36.4
82.03774	2.1
83.04989	23.5
83.08620	33.0
85.02907	35.5
85.06535	2.4
91.03956	2.7
91.05482	46.5
93.07043	24.7
95.04971	34.8
95.05463	0.8
95.08619	11.7
96.05334	1.5
97.02872	6.4
97.06534	5.3
97.10172	5.2
99.08099	2.2
105.07029	29.8
106.07349	1.2
107.04953	11.4
107.08608	10.1
109.06530	5.9
109.10154	3.7
111.04456	3.5
111.08092	14.2
113.06011	2.0
115.05406	2.2
117.07011	6.0
119.04941	1.6
119.08584	25.6
120.08914	1.1
121.06488	3.8
121.10157	12.1
123.08086	3.3
123.11705	1.8
124.07648	1.4
125.09625	2.2
127.07509	1.4
129.07018	14.8
131.08571	14.1
131.89439	1.0
133.06497	4.1
133.10109	14.8
135.08086	3.6
137.09625	3.7
141.06906	1.2
142.07787	4.5
145.10135	3.4
147.08060	3.1
147.11688	22.0
149.09598	9.7
157.10127	20.1
163.07651	1.7
163.11136	2.7
165.12743	3.9
175.11198	21.2
176.11565	1.5
193.12241	59.7
194.12558	2.9
211.13292	100.0
212.13593	3.0
227.12752	1.5
249.14934	2.1
255.12334	2.2
267.15918	35.7
268.16290	2.6
283.15332	3.1
285.16965	83.8
286.17276	4.6
367.22711	2.8
385.23703	4.5
433.25497	1.2
459.27444	22.1
460.27802	2.3
463.23132	4.2
477.28479	26.2
478.28845	1.7
495.29614	68.1
496.30145	6.8
625.28479	1.2
693.30438	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	692.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
55.05510	15.8
57.03438	10.4
57.07063	1.7
59.04996	4.0
61.02927	8.7
61.89134	1.1
65.03946	2.3
67.05506	83.6
68.05849	1.6
68.63071	1.0
69.03436	4.5
69.07065	8.9
69.85442	4.7
70.03085	1.0
71.01340	1.4
71.04604	1.8
71.04993	21.3
73.02913	2.2
79.05494	28.9
81.03421	14.5
81.07058	29.6
83.01354	6.2
83.04977	13.3
83.08621	11.9
85.02913	9.9
85.06541	4.2
87.04467	1.2
91.03955	3.2
91.05481	21.7
92.05788	1.3
93.07043	35.9
94.07366	1.5
95.04965	8.6
95.08607	17.2
96.08952	1.3
97.02896	7.8
97.06526	8.9
97.10188	2.5
99.04467	2.6
99.08092	1.7
100.75530	1.1
101.02397	1.1
105.07025	9.7
107.04950	8.8
107.08597	18.8
108.43241	1.2
109.02839	1.9
109.06514	6.5
109.10157	65.3
110.10490	1.5
111.04437	3.9
111.08096	3.8
117.06996	9.9
119.08576	17.6
121.06524	3.2
121.10150	12.2
123.08066	8.1
125.06016	1.6
125.09649	2.4
127.03889	1.9
129.07004	2.2
130.07832	1.1
131.04904	1.2
131.08586	3.7
133.10129	3.8
133.50142	1.3
135.08052	3.6
135.11685	19.6
137.09625	10.6
143.08559	1.4
145.06546	1.4
145.10126	17.7
146.10489	1.4
147.08099	1.7
153.12738	2.1
155.08563	1.8
155.10687	4.0
159.11613	1.2
163.11182	25.5
164.11523	1.4
169.12291	2.6
170.85757	1.1
173.11763	9.3
181.12250	4.1
191.10716	2.3
194.15268	1.1
209.11760	5.5
211.13286	1.9
227.12802	3.2
241.14513	1.3
255.15938	8.2
269.17581	1.0
283.15421	22.1
284.15747	2.0
287.18530	15.3
299.14951	1.5
315.18079	1.5
433.35428	1.1
437.25333	100.0
438.25629	12.7
444.17514	1.7
445.26129	3.6
451.26880	7.0
456.75397	1.2
458.19171	1.3
463.26892	43.5
464.27243	3.8
467.18906	4.3
477.28790	2.0
484.12949	2.2
485.14139	4.0
486.14166	1.5
495.29504	83.4
496.29800	11.9
498.14725	2.0
499.15567	2.1
512.16595	3.0
513.17407	5.8
514.17706	8.7
515.17981	5.0
524.16388	2.8
526.17987	1.2
528.19489	3.5
600.21539	2.0
601.21710	1.2
602.23041	2.9
660.23730	1.9
661.24530	1.6
673.73242	1.2
674.24957	1.6
692.26245	48.0
693.31079	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	693.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
55.05498	1.6
61.02930	2.1
63.74756	0.7
65.62889	0.8
67.05508	4.5
69.03432	2.5
69.07064	1.9
79.05504	4.5
81.03414	3.1
81.07050	3.7
83.05002	1.2
83.08630	2.0
84.47899	0.9
85.02863	1.6
87.93352	0.8
91.03960	1.2
91.05481	4.1
91.72400	0.9
93.07074	5.1
95.04980	1.1
95.08614	2.1
97.02878	2.2
97.06511	1.0
103.05498	1.1
104.78280	0.9
105.07013	3.1
107.04945	1.4
107.08571	2.7
109.06462	1.9
109.10142	1.9
112.02634	0.9
117.07001	1.4
119.08598	2.5
121.10130	1.6
123.08041	1.3
125.09612	1.1
127.03951	1.8
129.06941	1.1
131.08571	1.7
133.10110	2.2
135.11694	1.5
137.09668	0.9
143.08623	1.4
145.10109	1.6
147.11693	1.0
149.09613	1.4
156.50476	0.8
163.11235	2.0
173.09715	0.9
181.09970	0.8
202.12735	0.8
206.19882	0.8
267.73343	0.8
286.17181	0.8
287.96945	0.9
351.25345	1.9
452.40585	0.9
457.18149	1.0
467.19058	3.9
484.11920	1.0
485.16852	1.3
495.29642	1.4
515.18030	1.3
531.33136	1.3
582.57806	1.1
649.32379	1.1
693.28943	100.0
694.29340	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	693.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
55.05511	1.4
56.64021	0.4
57.03427	1.1
59.05010	0.6
60.79867	0.4
61.02934	5.4
67.05506	1.6
68.70951	0.4
69.03431	2.2
69.07061	0.7
69.46067	2.3
71.04983	0.9
72.40122	0.4
73.02920	3.8
79.05495	3.0
81.03416	3.0
81.07063	1.9
83.01359	0.8
83.04984	1.4
83.08635	0.8
85.02908	4.5
87.04449	0.6
91.03959	2.9
91.05498	1.9
93.07056	2.9
95.04953	0.8
95.08634	1.3
97.02888	4.8
97.06521	0.7
99.04473	1.2
101.02395	1.9
103.03963	0.8
105.07034	1.0
107.04997	0.8
107.08617	2.0
109.02875	0.9
111.04482	0.6
117.07005	0.9
119.08587	1.1
121.10175	1.0
123.08080	1.8
127.03945	1.8
135.08057	0.5
135.11708	1.6
137.42467	0.4
145.05017	0.8
145.06509	0.5
145.10132	2.3
163.11160	4.2
173.09645	0.5
209.11819	1.1
243.08389	2.7
249.11023	1.3
283.15598	1.5
305.13724	0.9
467.18884	15.8
468.19302	1.2
569.16443	0.5
572.09674	0.5
693.30927	100.0
694.31256	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	693.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56213	0.3
52.01399	0.4
53.03956	0.5
55.01878	0.9
55.05515	1.8
57.03442	2.4
59.05037	0.4
61.02930	5.2
67.05497	1.7
69.03425	3.0
69.07077	0.4
71.01389	0.4
71.05003	0.9
73.02919	3.2
79.05493	2.3
81.03407	2.5
81.07071	1.5
83.01352	0.7
83.05006	1.3
83.08655	1.1
85.02905	5.0
85.03377	0.5
87.04507	0.4
91.03959	3.1
91.05501	1.4
93.07043	3.1
95.04985	0.7
95.08647	1.1
97.02883	4.3
97.03412	0.4
97.06554	0.5
98.22659	1.0
99.04489	1.2
101.02377	1.9
105.07086	1.1
107.05023	1.0
107.08640	1.2
109.02874	0.7
109.06572	1.1
109.10224	0.4
111.08139	0.4
113.68971	0.4
117.07056	1.4
119.08635	1.3
121.06564	0.4
121.10152	0.9
123.08098	1.1
127.03964	1.1
129.07065	0.3
131.08614	0.5
135.11670	1.7
145.10097	2.0
153.12839	0.3
163.11182	4.0
163.88071	0.3
173.09798	0.5
185.04391	0.4
209.11769	0.5
216.10858	0.3
238.66061	0.4
243.08620	1.5
249.11015	0.7
260.46918	0.3
283.15604	1.0
305.13748	0.4
317.05139	0.4
459.19168	0.7
467.18921	15.4
468.19467	1.2
474.46024	0.4
485.13681	1.1
486.13806	1.8
499.15262	1.2
500.15308	0.8
513.17340	0.7
514.17554	1.3
515.17804	4.2
516.18640	1.5
525.09088	0.5
525.16577	1.6
526.04889	0.4
527.18542	0.4
529.19550	1.0
557.19012	0.6
603.23169	0.5
616.24274	0.4
693.31091	100.0
694.31470	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	693.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01871	1.2
55.05503	2.2
57.03452	2.1
57.07078	1.0
58.06616	0.7
60.08152	0.7
61.02925	4.2
61.30812	0.4
67.05502	4.3
68.57068	0.4
69.03422	3.0
69.07054	3.5
71.04985	0.9
71.08632	1.1
73.02914	3.0
75.04517	0.6
76.77835	0.4
79.05477	4.0
79.71104	0.4
81.03426	2.1
81.07056	4.6
83.01342	0.6
83.04993	0.6
83.08617	2.1
85.02905	5.3
86.09692	3.7
91.03962	3.0
91.05489	5.0
93.07042	3.5
95.04990	0.8
95.08617	3.0
97.02892	4.3
97.06546	1.2
97.10187	1.2
98.23475	1.0
98.98457	0.7
99.04479	1.2
101.02409	1.8
103.03969	0.4
105.07057	1.3
107.04986	0.9
107.08622	2.8
109.02895	0.8
109.06562	0.6
109.10166	2.0
111.04500	0.7
115.05434	0.6
117.07008	3.0
119.08583	1.5
121.06550	0.5
121.10177	2.0
125.00024	3.8
125.09632	0.6
125.17101	0.5
126.00397	0.6
127.03962	1.6
129.05481	0.6
131.08623	0.7
133.10144	1.0
135.08058	4.0
135.11711	1.6
145.05028	0.5
145.10100	0.8
155.01057	0.5
155.08556	0.6
157.10120	0.6
158.71404	0.4
163.07585	0.4
163.11227	0.6
177.12646	0.4
184.07314	12.2
184.08897	0.6
185.04265	0.7
185.07724	1.3
209.11842	1.5
236.15030	1.3
243.08463	2.0
269.17493	0.5
303.06937	1.0
311.25793	1.2
331.26483	0.6
356.51654	0.5
439.15756	7.5
440.16095	0.5
442.91916	0.6
495.29221	5.2
496.29819	0.7
521.37872	1.4
595.39233	0.7
693.38135	100.0
694.38434	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	694.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	0.6
55.05514	4.9
57.03424	0.9
63.39100	0.6
65.03940	11.4
65.83197	0.5
67.05509	12.7
68.99791	1.7
69.03433	12.1
70.06611	0.8
70.25637	1.9
81.03408	1.9
83.04983	57.6
84.05304	1.0
85.02908	19.7
87.04465	1.6
91.05477	10.0
93.03406	33.9
95.04982	3.7
97.02887	2.0
99.00820	3.2
99.04502	0.7
101.06052	1.1
107.04957	2.6
109.16131	0.6
111.04444	91.9
112.04794	2.2
113.02393	1.0
115.03926	2.3
117.01850	2.0
119.04943	20.2
120.05238	0.7
121.02866	20.8
122.03236	0.9
127.03911	0.9
129.05482	48.9
130.05826	1.0
139.03902	63.8
140.04236	2.0
147.04413	40.1
148.04723	2.0
157.04968	68.8
158.05312	2.1
175.06023	100.0
176.06372	2.2
177.07039	0.7
193.07088	1.2
195.08151	0.8
212.08298	0.7
213.09108	7.0
237.09135	1.1
247.07503	0.8
265.08563	1.2
273.06052	30.1
274.06363	1.9
293.08148	3.0
293.68082	0.6
311.09161	1.0
321.09573	2.0
351.96210	0.7
447.11371	7.7
448.11426	1.0
467.13449	2.8
485.14206	2.1
617.30676	0.7
695.24115	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.1
55.01878	8.5
55.05515	11.9
55.83245	1.0
57.03438	12.5
59.05009	1.2
61.02927	2.6
61.35913	1.0
67.05510	16.1
69.03418	4.6
69.07076	7.2
71.01365	1.5
71.04994	3.4
77.03906	1.5
79.05496	28.2
81.03418	74.2
81.07058	17.3
82.03757	1.9
83.01345	5.8
83.04992	10.0
83.08615	9.2
85.02897	7.9
91.03976	1.5
91.05487	31.7
93.07047	20.9
95.04967	14.8
95.08623	9.4
97.02887	6.5
97.06516	8.3
97.10169	4.3
99.04476	2.5
102.68919	1.0
105.07040	10.8
107.04975	8.7
107.08597	16.2
108.08984	1.5
109.02871	1.5
109.06490	5.6
109.10155	5.4
111.04439	3.8
111.08099	2.8
115.05448	1.6
117.07031	18.5
118.59211	0.9
119.08580	16.8
121.06496	6.7
121.10143	3.9
123.04406	1.4
123.08096	5.7
124.07581	2.5
125.02284	1.3
125.09624	5.9
129.07027	5.4
131.08569	4.8
133.06490	1.7
133.10127	4.7
135.04361	1.2
135.08060	18.8
135.11687	6.5
137.05923	1.3
137.09622	11.1
145.06544	1.6
145.10112	5.7
147.04376	2.3
147.08064	6.6
147.11693	2.0
149.09627	2.9
151.11160	1.4
153.09073	1.9
155.08592	2.1
157.10136	2.8
161.05951	2.3
161.09453	1.8
163.03922	1.2
163.07585	5.9
163.11208	11.4
165.07018	1.4
165.09119	10.9
173.09625	3.7
175.11169	3.6
177.09109	1.6
181.08601	2.2
181.12173	1.5
184.07310	1.2
191.10692	1.3
193.12262	5.3
197.09698	1.5
199.09618	1.2
209.11665	3.4
211.13206	1.2
227.12753	3.0
239.12773	28.5
241.08711	1.8
243.10204	2.6
253.14337	1.5
255.12291	9.0
259.09702	1.7
265.14319	1.4
267.15921	11.8
268.16330	1.3
271.15466	4.4
283.15405	25.0
284.15665	2.3
289.14316	1.8
291.17154	1.1
305.54840	1.1
309.18350	1.4
327.19537	3.2
337.17969	3.3
355.14862	1.9
355.19040	25.0
356.19498	2.1
373.20166	4.6
379.21048	1.4
411.21597	1.7
429.22766	28.6
430.23193	2.8
447.23773	100.0
448.24152	12.0
465.24731	9.1
469.20041	1.2
479.26483	4.8
492.40485	1.1
497.27121	1.4
668.65387	1.3
694.30817	5.6
695.31976	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	694.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91459	1.3
53.03940	2.0
55.05513	8.2
56.15310	1.6
57.03437	4.2
57.07065	1.8
61.02931	25.7
67.05508	51.1
68.05859	2.8
69.03437	3.0
69.07068	7.9
73.02911	9.2
79.05499	34.3
81.07063	61.6
82.07363	2.4
82.49554	1.7
83.08627	5.4
85.02906	27.8
85.06564	2.2
91.03960	22.5
91.05482	19.1
93.07050	42.4
95.04939	3.4
95.08611	48.7
97.02911	11.1
97.06540	3.8
97.10192	3.4
99.04457	2.7
99.08073	2.0
105.07045	13.1
107.08602	31.2
109.10147	26.9
111.08094	2.5
117.07037	8.3
119.08605	14.4
121.10150	30.2
122.07198	1.7
123.11713	13.2
127.03940	6.8
131.08565	14.8
133.10136	12.8
135.11699	23.6
137.13286	7.1
139.11147	1.9
139.50758	1.7
141.84093	1.6
145.04973	12.0
145.10101	12.6
147.11714	10.7
149.13280	23.3
151.14793	1.9
159.11716	13.4
161.13272	11.5
163.06039	21.6
163.14838	14.1
165.12836	3.3
173.13240	13.7
175.14830	3.7
177.12677	2.0
177.16426	5.9
187.14835	7.9
201.16434	2.6
205.15938	1.8
233.22769	3.3
243.21095	35.4
244.21391	2.7
261.22137	100.0
262.22479	6.0
263.23694	2.2
279.23050	1.6
316.58246	1.9
335.25784	18.0
353.26877	43.3
354.27325	4.5
442.60233	1.7
679.33905	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.0
55.01870	11.0
55.05514	33.4
57.03433	35.5
58.91480	3.0
61.02928	49.5
64.61694	3.0
65.03936	7.5
67.05508	96.9
69.03431	33.0
69.07072	28.6
69.56839	14.8
71.01332	6.2
71.04978	9.8
73.02927	20.2
75.04480	19.3
79.05490	85.9
81.03417	39.0
81.06586	5.3
81.07055	100.0
82.07377	3.3
83.04964	13.4
83.08628	19.4
83.28846	2.9
85.02903	79.1
85.06528	5.7
87.04472	3.8
91.03952	64.8
91.05477	68.8
92.05801	3.7
93.05518	80.3
93.07048	99.2
95.04968	17.8
95.08609	84.2
97.02888	43.5
97.06527	12.5
97.10164	6.3
99.04462	13.8
103.03955	7.1
105.04543	4.7
105.07032	66.0
107.04974	8.7
107.08589	55.8
109.02869	9.9
109.06518	12.0
109.10149	35.4
111.04429	13.8
111.08076	5.1
115.03924	5.5
115.05437	7.4
117.07005	35.9
119.08584	55.3
121.06489	4.7
121.10139	50.5
123.04398	5.9
123.08051	7.6
123.11688	8.3
125.09615	6.9
127.03918	29.9
128.06206	4.4
129.05495	8.7
129.06987	19.3
131.08574	52.1
133.06496	8.9
133.10120	45.0
135.08047	9.0
135.11678	35.8
137.05933	4.3
139.11186	4.8
141.06976	10.1
143.08578	24.2
145.04950	34.0
145.06464	7.0
145.10114	43.1
147.08023	9.5
147.11679	24.6
149.09578	9.5
149.13269	14.9
151.07462	6.3
151.11148	3.7
155.08545	10.3
157.10092	21.0
159.08061	6.4
159.11679	30.1
161.09598	9.5
161.13281	19.8
163.06013	72.8
163.11177	8.8
163.14784	6.4
165.09157	3.8
167.08533	7.0
169.10045	16.2
171.07948	5.9
171.11702	19.9
173.09618	7.5
173.13266	27.1
175.11151	11.8
175.14775	6.1
177.16376	4.5
181.10088	3.9
181.12286	4.1
183.11708	10.7
185.09666	5.1
185.13255	17.1
187.11230	6.2
187.14821	11.4
189.12796	4.8
193.12260	3.8
195.11624	6.0
197.13202	10.6
199.11118	3.9
199.14821	6.8
201.12784	5.1
201.16397	3.9
209.13293	8.5
211.14792	5.6
213.16289	4.5
215.14404	4.1
217.15894	5.2
233.15407	6.0
235.13214	3.6
241.19600	5.5
241.73605	2.9
243.21165	6.1
249.14870	5.8
255.10672	10.2
259.20593	11.7
261.22113	26.9
271.20572	4.2
273.21957	5.3
277.14328	6.1
277.21652	9.9
285.22171	5.7
287.19946	4.1
289.21616	10.3
291.23193	7.4
295.15369	5.0
301.21585	8.8
303.23096	21.2
313.21512	3.6
315.23160	14.9
317.24615	5.0
319.22607	4.2
323.23642	5.9
327.23071	6.7
333.21921	4.7
341.24731	14.0
345.24255	7.9
351.23306	20.7
359.25967	3.9
369.24216	64.5
370.24747	4.9
387.25211	55.4
405.26382	65.9
406.26620	11.5
423.27530	27.1
634.24084	8.1
694.34674	7.5
694.54535	5.6
695.34735	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	694.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.5
55.01867	1.6
55.05509	12.5
57.03436	6.6
57.07077	4.3
61.02925	27.2
65.03947	3.6
67.05505	70.7
68.05829	1.6
69.03433	5.1
69.07066	12.7
69.50948	4.0
71.04991	3.2
71.08646	1.1
73.02911	9.6
75.04479	1.2
77.03902	1.0
79.05493	43.8
81.03408	1.9
81.07056	80.0
82.07391	1.7
83.08628	7.6
85.02403	0.8
85.02898	31.6
85.06554	2.7
91.03959	23.8
91.05478	22.5
93.07043	52.5
93.49013	0.9
94.07355	1.3
95.04978	2.4
95.08604	62.7
96.08934	1.9
97.02888	16.1
97.06541	3.2
97.10165	2.8
98.23299	1.2
99.04475	1.7
99.08089	2.4
105.07026	18.8
107.08592	34.7
108.08949	1.1
109.02870	1.1
109.06519	1.8
109.10152	35.2
110.10487	1.5
111.08107	2.3
113.09669	1.4
115.03907	1.2
117.07012	8.6
119.08581	16.8
121.10140	34.4
122.10488	1.7
123.08107	1.3
123.11707	18.1
125.09624	2.4
127.03926	8.4
131.08563	19.1
131.09491	1.4
132.08881	0.8
133.10123	14.0
135.08064	1.1
135.11693	24.5
137.09642	1.9
137.13254	7.2
139.11211	1.3
145.04948	14.5
145.10095	16.3
147.11671	12.3
149.09555	0.9
149.13249	21.1
151.11139	2.3
151.14848	2.6
153.12749	1.2
159.11699	13.0
161.13245	11.2
163.06024	19.3
163.11163	1.6
163.14828	13.2
163.16083	1.4
165.12761	2.2
165.16266	1.1
167.14417	0.9
173.13248	14.2
175.14873	4.0
177.12781	2.2
177.16353	5.9
179.14345	3.2
185.13280	1.3
187.14839	10.0
191.14351	1.6
197.15010	0.8
201.16423	3.2
205.15948	2.2
215.17957	1.7
218.44934	0.9
219.17538	2.0
233.22733	3.2
243.21068	34.4
243.23570	1.8
244.21513	2.2
261.22131	100.0
262.19949	1.1
262.22531	7.8
263.23740	2.3
279.23184	4.1
317.24811	1.5
335.25812	34.5
336.26132	3.8
353.26843	50.8
354.27240	4.2
497.31461	4.6
498.31409	1.1
540.27222	0.9
580.74658	1.0
622.14349	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49853	2.3
53.03939	8.7
55.01875	9.6
55.05513	33.1
57.03437	14.2
57.07076	3.1
58.06611	2.9
60.08167	3.8
65.03938	6.6
67.05505	97.7
69.03417	5.2
69.07070	50.1
71.05000	4.5
71.08636	2.7
71.29601	3.6
79.05017	2.7
79.05492	86.1
81.03421	17.2
81.07056	100.0
82.07404	2.9
83.04965	13.4
83.08624	21.5
85.02919	3.1
85.06535	8.9
86.09688	16.7
91.05479	72.5
91.06015	5.1
93.07047	79.5
95.04961	19.3
95.08607	48.8
96.08975	2.7
97.06538	16.6
97.10178	10.4
98.98464	3.6
99.08102	4.0
100.97038	2.9
105.04505	3.3
105.07034	57.0
107.04962	9.7
107.08597	43.1
109.06532	9.2
109.10157	17.8
111.08092	7.0
113.09665	2.8
117.07032	27.4
119.08586	40.9
121.06538	4.7
121.10136	25.9
123.08089	3.9
123.11703	6.4
125.00064	11.3
125.09666	7.0
128.06264	4.3
129.07014	14.5
131.08572	27.1
133.06534	2.8
133.10141	35.4
135.08092	7.7
135.11703	25.5
137.09642	7.3
141.07016	3.1
143.08577	12.1
145.10146	27.0
147.08018	2.8
147.11708	20.1
149.09605	19.5
149.13254	15.8
151.11172	5.6
155.08556	6.4
157.10126	8.6
159.11687	19.1
161.13297	7.6
163.11194	11.6
163.14928	2.7
169.10156	8.7
171.11739	7.1
173.13263	7.8
177.12784	7.4
179.14328	4.8
181.12234	3.6
183.11743	7.8
184.07317	63.6
185.13292	5.3
187.14822	4.5
189.12744	3.2
195.13782	5.6
197.13232	5.2
201.12885	2.9
204.12474	3.3
227.12820	7.1
236.14862	3.0
239.17859	3.8
247.20587	4.0
255.15793	15.6
257.19052	11.9
267.16077	5.9
269.17398	25.9
275.20059	42.0
349.23727	23.2
350.24179	4.0
367.24231	3.6
449.28815	14.6
463.30286	14.2
529.35004	3.0
543.37115	16.9
544.35931	3.1
597.48877	3.9
613.30249	2.9
623.43848	2.9
642.29407	2.9
694.37335	16.8
695.40430	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	695.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	7.0
58.26704	0.9
69.49804	0.7
71.02071	1.2
82.81754	0.7
84.96031	1.0
98.97582	100.0
99.97971	0.9
110.97562	4.7
112.99119	1.8
116.98623	34.2
124.99173	1.3
128.98582	3.7
131.00146	1.1
134.99635	6.6
136.99103	16.1
143.00188	2.4
146.99690	1.1
150.99162	1.0
155.00153	45.5
156.00465	1.4
157.01736	1.2
158.99652	40.7
159.81979	0.7
161.01219	1.0
170.99710	1.7
173.01231	24.1
175.02843	1.1
177.00722	25.7
182.99666	1.1
185.01231	1.7
189.00706	1.0
191.02179	1.7
195.01848	0.9
197.01219	95.2
198.01590	2.5
199.02773	2.9
201.00722	2.9
210.04385	2.3
215.02272	52.9
216.02592	1.8
217.03821	2.2
219.01775	26.0
219.03870	1.7
227.02289	1.0
228.05539	1.1
233.03358	2.2
236.65048	0.8
237.02780	11.5
238.03902	2.2
239.02228	0.8
240.55899	0.9
254.03310	4.4
255.03888	1.9
257.03333	41.7
258.03690	2.3
272.04489	3.9
273.04590	1.0
279.03918	8.8
287.04294	1.6
306.10083	0.9
317.05435	29.4
318.05792	1.2
335.06512	11.9
339.05997	20.8
340.06323	1.3
349.08020	18.2
353.03116	23.8
367.09042	12.4
377.07394	1.8
385.05716	69.7
386.05954	3.7
391.05307	1.2
399.08182	8.2
403.07214	2.1
416.08539	5.4
417.03561	1.3
417.08945	6.5
435.03543	1.0
436.04391	0.9
445.08527	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	695.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16370	0.5
53.03952	1.0
55.01882	0.6
55.05507	1.5
57.03439	1.6
61.02927	3.4
67.05502	2.0
69.03428	2.5
69.07069	0.5
69.49088	1.8
69.49490	0.9
69.52009	0.4
71.04999	0.7
71.23199	0.4
73.02921	2.2
79.05514	2.3
81.03406	3.4
81.07066	2.7
83.04996	1.4
83.08619	1.1
85.02908	5.0
85.85674	0.5
91.03966	2.1
91.05491	3.2
93.07053	2.4
95.04966	1.3
95.08614	1.3
97.02904	4.2
97.06541	2.5
97.53449	0.5
98.22650	0.7
99.04449	0.9
101.02415	1.2
105.07043	1.9
107.04974	0.9
107.08643	1.4
109.02884	0.8
109.06577	0.7
109.10210	0.4
111.08099	0.7
117.07056	0.7
119.08606	1.4
121.06569	0.5
121.10175	1.0
123.08103	0.8
127.03933	0.9
129.07050	0.7
131.08582	1.2
133.10153	1.3
135.11697	0.6
145.04994	0.5
145.10184	1.2
147.11713	0.9
157.10133	1.1
163.03964	0.5
163.11220	1.7
173.09634	0.5
173.23750	0.4
175.05490	0.4
175.11217	0.6
192.10345	0.4
192.32819	0.4
193.12332	0.8
196.57603	0.4
211.13380	0.7
243.08488	2.5
249.11099	0.5
251.12617	1.1
283.15707	1.0
285.17035	0.4
317.65158	0.4
355.15503	1.3
366.06851	0.4
425.55838	0.4
467.18826	4.9
468.19272	0.7
469.20264	6.2
470.21112	0.8
485.75201	0.4
533.27594	0.6
695.32397	100.0
696.32874	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	2.2
53.03948	7.2
55.01875	11.9
55.05520	21.0
57.03439	23.7
59.04998	1.7
61.02911	4.0
65.03940	3.1
65.28891	1.5
67.05508	38.4
68.05844	1.6
69.03443	8.2
69.07072	17.9
71.01364	1.9
71.04998	4.4
74.49238	1.5
79.05496	52.9
80.05817	3.0
81.03419	100.0
81.07056	44.6
82.07408	1.8
83.01366	4.5
83.04985	18.3
83.08619	12.0
84.04523	5.4
85.02917	19.9
85.06552	3.5
91.05485	66.6
93.07047	37.3
94.02930	2.7
95.04971	23.8
95.08609	20.2
97.02903	11.1
97.06529	27.7
97.10178	5.3
99.04459	4.2
99.08138	2.3
105.03381	1.5
105.07037	23.0
107.04960	15.5
107.08598	22.6
109.02899	1.9
109.06539	7.3
109.10155	11.0
111.04421	9.2
111.08099	7.0
112.03940	2.7
113.06036	2.2
115.05469	4.2
117.07027	25.3
119.04977	2.1
119.08582	39.3
119.24631	1.5
120.08891	2.5
121.06533	10.4
121.10130	11.0
123.08095	7.0
123.11723	2.6
124.07577	1.5
125.05994	4.7
125.09655	4.2
127.03955	2.0
127.07496	2.2
129.05515	2.5
129.07013	10.3
131.08559	9.2
133.06508	4.3
133.10098	9.9
135.08063	32.1
135.11700	7.0
137.06061	3.8
137.09625	19.5
142.07846	2.3
143.08525	3.5
145.06512	4.8
145.10124	9.4
145.90672	1.6
147.04379	4.2
147.08028	8.5
147.11722	5.5
149.09702	4.0
153.09187	4.0
153.12764	2.6
157.10173	5.8
161.09653	2.2
163.03928	2.3
163.07526	13.8
163.10007	2.0
163.11211	13.8
165.09117	20.4
169.10138	2.1
173.09666	5.5
175.11194	5.9
181.08630	7.9
181.12314	1.9
183.10155	1.9
185.09554	1.9
189.05547	1.7
191.10693	4.6
193.12192	12.6
196.05968	1.5
199.09698	4.2
199.11372	2.0
201.11215	6.9
209.11690	12.3
211.13263	9.2
215.07080	2.8
227.10706	3.6
227.12794	5.0
235.11067	1.5
239.12784	46.9
239.15073	3.3
241.08409	5.2
255.12265	37.1
257.13947	9.7
259.09689	4.4
267.13196	2.5
267.15955	31.6
268.16171	2.1
271.11859	2.0
271.15442	2.6
273.13318	5.2
283.15417	46.6
284.15744	3.5
285.17001	12.2
299.15115	2.7
311.19977	2.8
313.10757	2.2
313.17786	3.8
329.20905	2.8
339.19379	7.9
355.15399	5.0
357.20813	9.1
359.44498	1.8
369.13388	3.2
405.22705	10.3
409.22104	2.8
413.23022	3.1
431.24319	49.1
432.24960	3.3
445.22189	5.0
449.25311	29.7
450.25580	2.1
463.22937	21.9
464.23438	2.5
481.23633	13.2
665.27472	1.9
696.31506	7.0
697.31476	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	696.416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12725	1.5
53.03949	3.4
53.86530	1.2
53.87774	1.6
55.05507	14.1
57.03425	4.7
57.07072	8.2
57.30541	1.8
57.67597	1.6
61.02927	31.3
65.03963	2.8
65.06845	1.4
67.05502	71.8
69.03436	4.2
69.07070	23.7
70.66393	1.6
71.04980	2.1
71.08630	6.7
73.02918	12.0
79.05495	21.7
81.03424	5.0
81.07056	88.2
83.04984	2.7
83.08623	20.5
85.02902	33.4
85.06551	3.1
85.10188	2.9
91.03953	29.2
91.05480	18.7
93.07041	24.5
95.04987	3.0
95.08609	73.1
96.75937	1.7
97.02892	14.2
97.06548	6.8
97.10163	11.9
98.22584	3.4
99.04512	2.1
99.08106	3.8
105.07029	13.9
107.08609	15.7
109.06504	2.1
109.10149	37.2
111.08099	3.3
111.11712	3.6
113.09631	2.3
119.08582	13.6
121.10143	28.5
123.08048	1.6
123.11707	20.4
127.03925	11.4
131.08670	2.1
133.10110	13.6
135.11682	12.9
137.09651	2.2
137.13264	8.0
141.12781	4.6
142.40805	1.5
145.04958	14.0
145.10115	1.7
147.11652	11.4
149.13278	11.3
151.14803	7.0
155.14310	2.6
157.10197	1.5
161.13260	13.6
163.06015	23.9
163.14772	7.7
165.16382	9.3
167.14296	2.7
172.99754	1.6
173.13112	1.8
175.14824	9.7
179.17964	6.6
181.15826	1.8
189.16339	3.5
189.84193	1.9
236.14967	4.5
245.22647	70.2
246.23004	4.9
263.23682	100.0
264.24103	6.4
265.25281	3.8
281.24863	4.3
337.27328	49.0
338.27774	2.6
354.08218	1.7
355.28433	8.4
419.78210	1.8
696.45984	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	696.416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.01866	1.3
55.05511	18.7
57.03440	6.8
57.07072	9.4
59.28048	1.0
59.88883	1.2
61.02925	23.3
65.03939	3.0
67.05503	74.7
68.05833	1.6
69.03418	3.2
69.07064	24.7
71.04984	2.4
71.08633	6.2
73.02915	7.8
75.04494	1.9
79.05073	1.4
79.05498	17.8
81.03414	2.9
81.07055	85.5
83.04990	2.1
83.08617	20.7
85.02904	27.6
85.06520	2.2
85.10158	2.4
91.03956	21.5
91.05484	16.5
93.07040	26.7
95.04951	2.4
95.08606	78.4
96.08941	2.1
97.02893	15.1
97.06533	6.9
97.10163	13.4
99.04460	2.0
99.08099	4.7
105.07042	11.6
107.08604	16.2
109.06496	1.1
109.10157	39.5
110.10491	1.6
111.08071	4.5
111.11727	2.8
113.09628	2.1
115.03959	1.2
119.08567	14.0
119.09354	1.6
121.10143	24.7
123.08055	2.3
123.10800	1.5
123.11704	24.1
125.09657	2.4
127.03929	9.1
131.08517	1.3
133.10112	16.5
135.11681	12.3
137.09613	1.9
137.13248	8.3
138.13629	1.1
139.11234	1.3
141.12726	3.6
145.04958	13.0
147.11679	10.0
149.13271	12.4
151.11166	1.7
151.14822	6.1
153.12782	1.2
155.14293	4.6
161.13251	12.1
163.06015	20.3
163.07355	1.6
163.14819	11.4
165.12761	2.1
165.16411	8.7
174.51337	1.0
175.14813	10.4
177.16380	2.8
179.14339	1.4
179.17929	8.8
181.15823	1.5
189.16299	5.7
193.15894	1.0
217.19389	1.6
245.22623	62.8
246.22952	3.8
263.23688	100.0
264.24051	6.4
265.25354	1.8
278.78040	1.1
281.24811	2.2
337.27344	68.3
338.27667	5.5
355.28458	13.1
356.28879	1.7
499.32382	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	696.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.4
56.05033	7.9
56.58282	0.2
57.07059	0.2
58.06599	1.1
62.95479	0.2
67.05499	0.6
69.07066	10.8
70.06602	0.7
70.23867	0.2
71.08633	0.8
71.13116	0.2
72.08125	0.3
79.05495	0.4
81.07062	0.9
82.06558	0.3
83.08622	0.3
84.04492	0.5
84.08150	0.3
86.09705	100.0
87.08111	1.3
87.10030	1.7
91.05555	0.3
93.07053	0.3
95.08605	0.6
97.06518	1.4
98.09690	10.4
98.10337	0.5
99.10059	0.2
100.11242	0.2
105.07033	0.6
107.16419	0.2
108.83008	0.2
109.10170	0.2
110.09652	0.4
110.23917	0.2
110.42455	0.2
111.05549	0.5
112.11241	19.2
113.07118	1.6
113.11570	0.4
114.09163	1.6
115.07558	0.3
119.08559	0.4
121.10098	0.3
123.45437	0.2
124.11207	0.2
126.09117	0.3
131.08519	0.2
132.10158	0.3
133.10089	0.2
140.10728	1.2
141.13867	0.7
143.11798	7.4
144.10229	0.3
151.12247	0.3
153.10201	0.2
154.15898	5.3
155.11729	0.4
155.16272	0.2
156.10191	0.5
157.13335	0.3
158.11768	0.7
167.11795	0.7
168.10191	0.5
169.13354	31.3
170.13712	1.0
171.11290	2.4
173.13887	0.2
173.15363	3.6
176.40436	0.2
179.11783	0.7
181.09764	0.6
186.11272	0.4
197.12852	6.6
198.13016	0.3
199.18088	1.0
200.16275	0.3
211.18048	12.5
212.16431	0.2
212.18329	0.6
215.13914	0.3
225.12372	1.0
225.19606	0.8
227.17535	0.7
228.15918	1.9
229.14326	3.3
231.70308	0.2
235.18060	1.3
236.14969	1.1
237.19518	0.6
239.17534	3.8
243.13478	0.3
246.16954	1.5
253.18980	0.4
256.20197	0.2
257.18683	0.2
272.18521	1.8
280.20117	0.2
281.18585	2.2
284.19662	1.3
285.17944	0.4
286.34155	0.2
299.19672	0.5
300.17999	4.3
300.31958	0.2
302.64996	0.2
303.19077	1.6
310.21112	0.4
311.19601	0.7
329.20770	1.3
338.20734	0.8
343.40024	0.2
353.24271	0.7
356.21582	0.4
357.20166	2.6
358.20215	0.3
359.25238	0.7
371.25449	2.2
375.00241	0.2
385.26968	5.0
386.27258	0.4
394.26773	0.8
397.26987	0.5
413.26453	12.5
414.26913	1.1
416.27567	1.6
425.26172	0.5
430.28741	0.4
442.29114	8.1
443.29361	0.6
451.29007	0.6
452.27505	0.7
469.30078	0.3
470.28601	18.4
471.28781	2.0
484.33954	0.9
498.35226	1.4
510.35391	3.3
511.35519	0.6
526.34869	5.5
527.34930	0.7
538.34882	6.3
539.34753	0.8
555.28723	0.3
555.37506	9.7
556.37946	1.1
565.35773	1.7
583.37000	16.8
584.37573	2.2
623.43719	1.6
651.43372	3.2
652.42761	0.8
668.45929	4.1
669.45502	0.7
678.44434	1.3
696.45905	1.8
697.43030	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99041	0.4
55.01837	0.8
55.05514	2.6
57.02405	0.4
57.03436	4.2
57.07075	4.6
58.06599	33.4
59.06899	0.7
59.07379	9.8
60.08162	9.2
64.78275	0.5
65.03913	0.7
66.35428	0.4
67.05505	4.5
69.03412	0.5
69.06345	4.1
69.07021	1.6
71.08628	3.2
71.66672	0.4
73.02885	1.0
75.04440	1.9
79.05479	2.1
81.03375	0.8
81.07053	3.7
83.04963	0.6
83.08578	1.0
84.08117	0.9
85.02918	2.4
85.10141	1.1
87.04469	3.6
91.05422	1.8
93.07044	2.2
94.32073	0.6
95.04927	1.6
95.08619	2.6
97.06481	0.7
100.11245	0.5
102.05511	0.8
105.05487	0.7
105.07014	1.0
107.04927	1.0
107.08566	0.9
109.10119	1.4
109.10830	0.4
113.05972	1.4
121.10104	0.6
123.11654	0.4
129.06949	0.5
130.08574	0.6
131.07002	1.2
131.08517	0.8
133.10138	0.8
138.29378	0.4
144.09122	0.7
144.10194	12.5
162.11270	5.7
196.84361	0.5
200.12741	0.7
203.51578	0.4
218.13885	2.1
236.14914	76.5
237.15309	3.2
290.15662	0.6
313.27319	0.6
324.02237	0.4
372.24350	0.5
404.97369	0.5
412.37878	0.9
429.72543	0.4
440.26544	3.2
456.36935	4.4
457.37228	0.9
458.27420	5.2
474.37869	12.6
475.38483	1.3
483.88214	0.5
513.07440	0.5
591.42682	0.8
603.23041	0.5
628.47900	3.8
629.48224	0.8
678.49408	3.6
696.50421	100.0
697.50732	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	696.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.5
54.67458	0.4
55.01831	1.2
55.05515	2.4
56.05043	0.4
57.03438	4.8
57.07074	4.2
58.06598	35.8
59.07382	11.1
60.08163	9.0
67.05504	3.3
69.03393	0.4
69.07027	1.3
71.04942	0.4
71.08637	3.3
73.02891	0.7
75.04482	2.2
79.05447	1.4
81.03383	1.1
81.07057	2.8
83.04952	0.8
83.08574	1.3
84.08067	0.5
85.02917	3.0
85.10147	1.8
87.04459	3.2
91.05437	1.1
93.07033	1.9
95.04945	0.6
95.08606	2.0
97.10140	0.7
100.11191	0.5
102.05504	0.9
103.03886	0.6
105.06996	0.7
107.04892	0.8
107.08554	0.8
109.10117	1.0
113.05975	1.1
116.10732	0.5
117.06987	0.9
119.08556	0.6
121.10116	0.8
123.11620	0.4
130.08598	0.5
130.67348	0.4
131.07007	1.8
133.10092	0.4
144.10197	16.6
145.10413	0.5
150.18907	0.4
162.11253	5.4
163.11172	0.8
175.75121	0.4
181.45993	0.4
200.12845	0.7
218.13867	1.7
236.14919	100.0
237.15318	4.0
313.27435	0.4
327.28873	0.5
343.26956	0.4
383.31226	0.5
426.24951	3.0
426.39661	0.7
440.26398	0.5
444.25958	6.0
456.37057	1.0
458.27737	0.6
470.38507	3.9
474.38074	2.3
488.39459	10.5
489.39532	0.8
556.81476	0.4
598.61469	0.5
678.49030	1.5
696.50458	75.4
697.50659	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	697.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97971	0.3
53.00287	0.5
53.03944	3.1
55.01872	2.5
55.05515	0.6
57.03435	3.0
60.63524	0.4
61.02919	0.9
65.03933	0.7
65.89145	0.3
67.05490	0.7
68.99787	1.0
69.03429	19.3
69.41703	0.8
69.42111	1.1
71.01343	1.0
71.04993	2.4
73.02919	2.0
79.05475	1.0
81.03419	20.6
83.01347	0.4
83.04981	2.3
85.02907	18.1
87.00829	4.5
87.04462	0.4
91.03953	0.3
91.05490	3.2
95.04981	2.6
97.02894	12.3
98.03209	0.4
99.00824	1.3
99.03833	0.5
99.04451	6.8
101.02398	0.5
103.03924	0.4
103.05486	0.7
105.01869	4.0
105.03416	0.5
105.07069	0.6
107.04945	2.3
109.02875	9.4
111.00801	0.6
111.04449	1.6
114.93553	0.3
115.03934	0.7
117.01825	1.0
119.04942	6.2
121.02864	2.5
121.06516	0.7
123.04443	1.3
127.03919	16.8
128.04265	0.6
129.01828	0.7
131.04921	1.2
133.02867	0.5
133.06480	0.7
135.04453	0.6
137.02335	0.7
137.05951	0.7
141.05507	0.7
141.06996	0.3
145.04961	6.3
147.04408	26.3
147.58426	0.3
148.04759	0.7
151.03902	0.8
153.01828	3.4
153.06889	0.4
157.06511	0.7
159.02905	2.7
159.04419	1.4
161.05989	0.7
163.03908	0.6
165.01813	1.3
165.05400	0.6
167.07362	0.3
169.06432	0.6
171.04292	0.4
177.04079	0.4
177.05484	1.0
180.08142	0.6
181.06429	0.6
182.09694	0.4
183.02916	0.9
185.05940	0.8
189.05457	0.6
191.08585	0.3
197.06020	0.6
199.07607	0.5
207.06534	1.0
208.11339	0.6
213.05455	0.9
223.07521	0.7
225.09203	1.7
227.06953	3.3
231.04967	1.0
243.05003	0.8
256.68759	0.4
258.05270	0.9
263.10580	0.4
269.04407	0.4
287.05490	100.0
288.05804	5.3
291.08636	1.3
299.07684	0.7
299.93512	0.3
309.09653	1.5
315.20377	0.3
317.11646	0.4
329.06516	1.0
335.12527	0.4
345.11221	0.6
373.10629	1.0
387.09167	2.3
389.12350	1.1
405.10037	0.4
451.77652	0.3
485.12695	1.2
697.27271	0.5
698.87653	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.5
55.01880	1.6
55.05518	2.7
57.03446	3.4
61.02929	5.5
63.36984	0.4
65.03933	0.7
67.05508	5.8
69.03435	5.7
69.07077	2.9
71.01369	1.3
71.05003	1.7
71.07673	0.9
71.31183	0.4
73.02911	3.7
79.05495	8.1
79.05910	0.6
80.05051	0.5
80.05840	0.4
81.03422	7.0
81.03854	0.5
81.07063	4.4
83.04978	3.6
83.08644	1.4
85.02906	7.6
85.06539	0.7
86.16251	0.4
91.03962	3.4
91.05483	6.1
93.07045	4.1
95.04980	4.8
95.05476	0.5
95.08636	1.4
97.02903	8.0
97.06532	19.7
98.06885	1.3
99.04436	2.4
101.02350	2.3
105.07040	3.7
107.04981	1.5
107.08572	3.1
107.40035	0.5
109.02913	1.4
109.06546	1.2
109.10159	1.2
111.04445	9.7
111.05191	0.6
113.06046	0.9
115.03973	0.6
115.05495	0.7
117.07047	2.7
119.04953	0.5
119.08563	2.4
121.06528	0.9
121.10154	2.8
123.08141	0.9
123.11745	0.9
127.03948	2.4
128.06313	0.4
129.07074	1.5
131.08627	1.7
133.10104	2.3
135.08054	3.2
135.11778	1.2
140.26164	0.4
143.08577	0.7
145.05057	0.8
145.06493	0.5
145.10201	1.1
147.04463	0.7
147.08138	0.6
147.11729	1.2
149.09660	0.9
151.11307	0.5
153.09135	0.5
157.10207	1.2
161.06036	1.3
163.04001	1.4
163.07610	0.8
163.11261	1.4
165.27249	0.5
167.08665	0.5
168.35652	0.5
169.06429	0.5
171.08167	0.5
173.02583	0.4
173.05959	0.7
173.09634	0.5
175.07594	0.8
175.11252	1.0
185.04262	0.9
185.09612	0.8
187.07689	0.7
189.05325	0.4
189.09224	1.6
191.07164	1.0
191.10838	0.4
193.04997	0.4
193.12315	1.3
195.08174	1.0
196.71852	0.5
198.21257	0.4
199.07716	1.2
201.05423	0.5
201.09186	0.6
209.11897	0.6
211.07605	0.8
213.09241	1.7
215.07104	1.2
215.10825	0.7
217.08702	1.0
223.13345	0.6
227.12917	0.5
237.09193	0.5
241.08548	2.8
241.12393	0.8
242.09030	1.1
243.08411	3.1
251.12651	3.1
253.10597	0.9
257.63425	0.4
259.09814	1.9
260.10202	1.0
267.10471	0.5
267.13828	0.8
281.13922	0.8
283.15814	0.6
287.12961	1.2
287.53271	0.5
293.32239	0.5
299.12808	0.6
301.14322	0.5
307.15250	1.0
311.12656	2.3
312.13321	0.9
313.14529	1.8
327.16266	1.1
329.13980	0.9
331.15430	2.4
337.14328	2.5
355.15369	7.1
356.15744	4.1
371.15231	1.1
373.16394	2.2
374.17154	0.7
409.49451	0.6
439.15930	1.7
467.18802	2.5
468.19879	0.6
469.20444	10.9
470.21277	1.1
471.18671	1.6
499.20688	1.4
500.20029	0.6
517.20422	0.7
518.20959	0.6
535.29291	0.5
653.31976	2.0
665.27979	1.5
679.32104	0.6
697.33118	100.0
698.33344	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	697.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
55.01871	1.1
55.05514	2.5
57.03437	3.2
61.02927	4.0
61.84568	0.3
66.78756	0.3
67.05502	4.3
67.18216	0.3
69.03431	3.7
69.07076	2.3
70.13482	0.3
71.01350	0.8
71.04999	0.9
72.72540	0.3
73.02922	2.9
79.05499	4.6
79.22337	0.3
80.05853	0.4
81.03426	6.4
81.07049	3.8
83.04982	3.9
83.08618	1.4
85.02898	6.7
91.03964	2.2
91.05472	4.7
91.05917	0.3
93.07040	2.8
94.07407	0.4
95.04967	3.3
95.08619	1.4
97.02895	5.2
97.06533	10.0
97.07137	0.6
97.10157	0.4
98.03188	0.3
99.04456	1.3
101.02405	1.6
103.03999	0.4
105.07016	3.4
107.04946	0.8
107.08613	1.1
109.02894	1.1
109.06533	1.1
109.10194	0.9
111.04439	7.9
111.08100	1.3
113.06017	0.5
115.03910	0.5
117.07033	0.9
119.08588	2.5
121.10155	1.3
123.08060	0.8
127.03937	1.6
129.05482	0.4
129.07027	0.9
131.08600	1.2
133.06526	0.4
133.10132	1.8
135.08112	0.8
135.11729	0.7
142.07791	0.6
143.08623	0.5
145.10162	0.9
147.04521	0.5
147.08099	0.6
147.11705	1.5
149.09651	0.9
157.10139	2.1
158.21194	0.4
161.05998	0.5
163.03967	1.2
163.11290	0.6
171.08076	0.4
175.07643	0.4
175.11224	1.0
186.12201	0.4
189.09203	0.8
193.12288	2.1
195.08159	0.6
199.07593	1.0
203.05347	0.4
203.07164	0.4
209.11815	0.4
211.07608	0.6
211.13399	1.0
213.09142	0.6
215.07002	0.5
217.08563	0.4
227.12889	0.4
241.08693	1.5
241.12291	0.6
243.08492	1.6
251.12636	1.0
256.12665	0.4
259.09772	1.7
283.15695	0.5
285.17279	0.6
287.12863	0.8
293.11676	0.7
299.12851	0.5
307.15265	0.7
311.12891	1.8
313.14169	0.5
327.16025	0.6
331.15491	1.7
335.12369	0.4
337.14487	1.3
355.15393	4.7
355.19043	0.4
356.15967	0.5
373.16647	1.6
421.87643	0.4
469.20444	12.5
470.20950	1.0
499.19666	1.1
535.21906	0.6
535.28992	0.7
629.28668	0.5
629.38611	0.4
629.84772	0.4
697.33997	100.0
698.34363	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	697.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
55.01866	1.0
55.05516	1.5
57.03440	2.1
57.07069	0.8
57.40667	0.8
61.02929	4.4
67.05514	4.6
69.03440	1.9
71.01350	1.0
71.04990	2.7
71.29369	0.9
73.02922	2.4
79.05490	4.7
81.03431	3.4
81.07055	4.1
83.04989	2.5
83.08608	1.8
85.02915	3.2
87.38654	0.8
91.03954	2.5
91.05504	3.6
93.07047	5.3
95.04986	1.3
95.08611	2.5
97.02919	4.3
97.06548	2.1
101.02390	1.7
103.59341	0.8
104.33923	0.8
105.07041	2.8
107.04981	1.2
107.08623	2.3
109.02856	1.1
109.06535	1.1
109.10176	3.4
111.04472	1.1
117.07047	1.1
119.08625	2.6
121.06496	1.3
121.10198	1.5
123.08041	1.0
127.03938	2.1
129.07054	1.3
131.08545	1.0
133.10176	0.9
135.08081	0.8
135.11705	2.7
137.09657	1.0
141.28044	0.8
145.10149	2.4
163.11235	2.8
164.06943	0.8
167.08507	1.1
168.21017	0.9
181.12119	0.8
243.08510	2.0
249.11272	1.1
297.74020	0.8
467.18735	6.4
471.21973	5.6
502.11966	0.9
599.50110	0.9
697.34009	100.0
698.34442	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	698.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78192	2.1
53.03942	3.3
54.07957	2.2
55.05275	2.9
55.05514	31.0
57.03433	9.0
57.07075	18.4
59.23993	2.2
61.02931	26.0
67.05183	3.3
67.05509	42.5
69.03429	4.6
69.07073	48.3
71.04993	5.3
71.08641	16.2
73.02914	8.0
75.04477	3.0
79.05495	29.1
81.03403	4.0
81.07056	49.2
83.05017	3.1
83.08622	42.4
85.02908	31.5
85.06547	3.3
85.10181	7.7
91.03951	22.9
91.05479	11.7
93.07043	26.3
95.04970	9.0
95.08612	50.1
97.02894	12.7
97.06536	9.7
97.10175	28.2
98.22557	4.6
99.04411	2.8
99.08134	3.0
104.14187	2.2
105.07030	9.0
107.08593	26.9
109.06445	2.4
109.10163	25.7
111.08075	6.3
111.11710	10.9
115.03923	2.5
119.08567	5.6
121.10142	46.9
123.08051	2.2
123.11700	11.1
125.09613	4.2
125.13309	2.5
127.03916	9.3
131.08540	4.0
133.10104	3.9
135.11693	30.1
136.12038	2.3
137.13287	5.4
139.11180	2.9
139.58566	2.2
145.04973	10.6
145.10097	4.0
149.13260	14.6
151.14803	7.7
153.12679	2.4
159.11766	2.9
163.06024	20.0
163.11197	4.1
163.14886	4.9
165.16397	4.2
190.83305	2.4
191.17841	2.7
191.62024	2.2
201.16284	3.9
228.77202	2.7
247.24196	35.1
265.25266	89.7
266.25613	9.7
283.15341	9.2
283.26355	21.2
293.21078	10.9
310.57388	2.6
339.28961	100.0
340.29248	9.7
357.29962	42.9
358.30161	2.7
501.32452	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	698.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45987	0.2
51.24272	0.2
53.00301	0.4
55.01873	0.7
55.05510	2.8
56.05019	0.4
57.03436	5.5
57.07075	5.0
58.06599	41.1
59.05003	0.3
59.06910	0.5
59.07381	11.9
60.08164	11.0
63.70908	0.2
64.89243	0.2
65.03926	0.3
67.05501	3.9
69.03425	0.3
69.07072	1.5
71.01350	0.2
71.04991	0.4
71.08636	3.4
73.02913	0.8
75.04477	3.0
79.05486	2.1
81.03420	0.5
81.07056	4.2
83.04987	0.7
83.08614	2.1
84.08144	1.1
85.02905	2.7
85.06547	0.3
85.10179	1.3
87.04464	4.2
88.04803	0.2
91.05479	2.1
93.05534	0.3
93.07033	2.6
95.04983	0.8
95.08604	3.2
97.02895	0.6
97.06561	0.5
97.10169	0.6
98.22646	0.5
99.00804	1.6
99.08118	0.4
100.11256	0.7
102.05534	0.8
103.03943	0.8
103.05425	0.2
105.05509	0.7
105.07031	2.1
107.04984	0.4
107.08596	1.0
109.02876	0.7
109.10155	1.3
111.04416	0.2
111.08087	0.3
113.06022	1.3
116.10728	0.4
117.07014	0.4
119.08607	1.4
121.06534	0.5
121.10106	0.3
123.11725	0.4
125.09681	0.2
129.05424	0.2
130.08655	0.6
131.06985	1.5
131.08611	0.6
133.06409	0.2
133.10143	2.2
135.11700	0.3
141.05391	0.2
143.08496	0.4
144.10191	15.6
145.10443	0.2
151.11226	0.9
157.10051	0.3
159.11737	0.2
161.09621	1.0
162.11252	5.5
171.08099	0.3
180.08287	0.2
195.14009	0.2
196.69466	0.2
200.12862	0.7
218.13867	1.3
236.14912	93.9
237.15251	4.0
269.17477	0.6
277.21555	0.4
313.27435	0.9
328.43399	0.2
351.25351	0.6
369.30081	0.5
412.37961	0.5
417.38562	0.2
442.01324	0.2
442.24338	3.4
443.24750	0.5
456.36902	5.5
457.37311	0.6
460.25421	7.7
461.25909	0.5
463.30508	0.4
474.37888	13.1
475.38159	1.2
545.38129	0.7
647.98230	0.2
680.47015	0.6
698.48309	100.0
699.48627	17.5
699.58655	0.2
705.73938	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.8
57.03436	2.6
67.05503	5.6
68.69057	2.6
69.07078	4.6
71.08604	3.5
79.05486	8.5
81.07055	6.3
91.05480	7.1
93.07040	9.6
94.06571	10.0
95.04989	3.7
95.08612	5.1
105.07035	7.3
107.08579	6.1
109.06563	2.6
109.10207	3.0
116.04879	2.6
119.08537	2.8
121.10133	5.2
130.06540	3.3
133.10139	5.1
138.05449	4.5
142.42900	2.3
145.10095	4.4
158.05875	2.3
162.05525	8.2
180.06587	4.1
182.08374	5.9
182.09792	3.1
183.09238	4.1
184.07274	2.6
192.06693	4.8
193.07599	8.4
194.08337	9.4
195.09232	9.0
196.09930	9.0
197.10716	5.0
205.07603	9.1
206.05969	3.2
206.08372	4.7
207.09218	9.4
208.07814	2.6
208.09917	5.8
209.07069	5.0
209.10709	16.9
210.07878	14.6
211.08684	7.2
211.12326	13.0
213.10231	3.4
219.09149	9.2
220.09846	4.5
221.07095	4.7
221.10753	13.7
222.07893	3.9
222.11382	5.0
223.08714	13.9
223.12209	4.2
224.09448	4.4
225.10211	6.7
233.07079	5.3
235.08644	10.9
236.09435	5.3
237.10269	25.3
238.07257	3.4
238.10950	5.2
239.08128	9.0
239.09393	2.8
239.11790	45.5
249.06549	3.4
251.08087	5.0
251.11755	4.4
253.09679	4.1
254.10535	2.9
261.06635	6.0
263.08209	15.7
264.08908	3.8
265.09723	25.3
266.10391	4.1
267.08069	4.7
267.11279	43.5
268.11813	3.8
269.09335	3.3
277.06128	5.4
279.07828	4.6
279.11069	4.7
280.08209	3.2
281.09216	11.4
283.07291	4.2
283.10791	11.3
285.12271	6.2
286.13156	2.6
289.06155	8.1
291.07651	26.4
292.08234	3.5
293.05878	2.3
293.09155	38.4
295.07312	4.0
295.10669	4.9
297.08707	4.7
307.07172	24.5
307.10522	4.2
311.10202	16.0
312.10837	3.4
313.12033	4.3
317.05728	4.2
319.07257	13.1
329.11072	3.2
335.06696	6.1
337.07950	3.8
339.09518	4.3
351.09579	7.3
363.06052	4.5
369.10815	4.2
395.08841	5.2
420.56619	3.1
487.17578	4.2
500.14313	4.6
515.17249	4.0
529.18579	3.6
547.19574	3.6
557.18164	6.1
559.20398	4.2
561.21088	2.9
573.20837	7.1
575.19214	3.1
585.17682	5.1
589.20758	11.6
594.22302	3.0
603.18536	6.6
607.21814	10.7
617.20258	100.0
618.20789	14.4
621.23370	4.7
634.93457	3.0
635.21509	5.9
639.24011	5.5
649.22711	34.8
650.23413	3.7
667.24017	80.3
668.24304	13.0
681.25275	5.6
699.36493	19.5
700.35944	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	699.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.0
58.06604	7.4
59.07379	2.2
60.08163	1.7
61.08290	1.1
67.05508	1.6
68.97649	3.1
68.98060	5.8
69.07061	1.7
71.08649	1.2
79.05499	1.2
81.07062	3.6
85.10174	1.4
87.90197	1.1
91.05460	2.6
93.07036	1.6
95.08654	1.4
124.19097	1.1
144.10210	4.1
161.29796	1.1
162.11247	2.1
173.35938	1.1
193.20950	0.9
207.09178	1.3
208.09926	1.2
211.12331	1.1
221.10628	1.6
222.11496	1.2
223.12355	2.7
225.13776	1.6
236.14951	19.3
237.13622	1.9
249.13858	1.6
253.13231	1.1
263.11560	1.0
272.54269	1.4
273.81174	1.0
279.07727	1.2
341.11908	1.1
354.12418	1.4
415.15463	2.3
417.16974	1.7
430.18170	2.7
431.18658	2.5
441.17688	1.2
443.14404	2.1
444.15619	1.4
446.21390	1.7
457.16605	4.2
458.16843	3.0
459.17941	1.3
461.19470	1.7
470.17776	1.2
471.21619	3.9
473.19748	5.9
474.37808	2.8
484.18896	1.2
486.16602	1.5
487.21191	4.6
488.21786	4.5
490.19272	1.4
491.20642	1.5
499.21121	3.9
501.19131	10.8
502.20178	5.5
505.22610	1.9
515.20764	13.7
516.21381	9.8
517.21771	4.7
518.20398	1.1
519.24030	1.6
533.21521	5.3
545.18573	1.2
547.23138	4.7
561.20789	1.3
575.22748	10.5
576.23578	1.9
579.25916	1.6
586.22137	1.5
607.25659	5.0
608.26013	1.5
617.23712	1.6
635.24982	100.0
636.25299	17.2
649.26648	5.5
666.49353	3.0
667.27228	6.8
667.49414	1.6
698.48541	4.9
699.48993	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	699.301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	5.6
57.03435	5.2
57.07068	6.0
58.06601	29.9
59.07371	6.9
60.08162	7.4
67.05499	10.5
69.07059	5.1
71.08614	4.3
75.04475	3.4
79.05485	6.6
81.07063	9.5
85.02920	2.3
85.10186	2.9
87.04498	3.8
91.05477	5.2
93.07040	3.9
95.04974	3.3
95.08585	4.9
101.96829	2.1
105.07041	4.7
105.36055	2.0
109.10146	3.9
117.06998	2.2
119.08591	2.6
121.10166	4.3
144.10208	10.0
162.11185	3.6
166.12218	2.1
186.15289	2.2
209.10722	3.2
221.85414	2.0
223.12076	2.8
236.12656	4.5
236.14920	59.7
237.15251	9.2
238.14465	2.0
264.27011	2.3
371.47293	2.0
389.89886	2.0
443.15173	2.3
444.15103	3.2
471.22089	2.9
473.19879	3.4
474.37939	7.2
487.21155	6.1
499.21265	3.1
501.18909	8.5
515.20660	11.5
516.21375	9.4
517.22205	3.3
519.40277	3.6
533.21643	4.4
547.23126	5.1
552.37683	2.4
575.22913	11.3
579.26172	4.1
607.25592	10.3
608.26172	5.9
635.24969	100.0
636.25403	14.9
639.28229	9.8
652.25671	3.1
666.49304	4.9
667.27594	20.9
667.49377	6.6
668.27655	2.5
698.50256	24.5
699.29321	5.0
699.50983	25.7
700.49384	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	699.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
55.05515	2.6
56.05032	2.5
57.03441	6.0
57.07078	4.9
58.06603	45.9
59.06940	1.1
59.07386	12.8
60.08170	10.2
61.08503	0.8
65.03925	1.0
67.05507	5.4
69.07073	4.5
69.65784	1.9
70.07394	0.9
71.01344	1.6
71.05006	0.6
71.08639	3.6
73.02918	0.8
75.04483	7.3
79.05502	5.1
81.03439	0.7
81.07061	5.3
83.04962	1.1
83.08632	1.3
84.08145	1.5
85.02895	2.8
85.10181	1.4
86.09711	30.1
87.04488	3.4
87.10041	6.3
88.10360	0.8
91.05488	3.2
93.07027	3.2
94.06581	1.0
95.04952	0.9
95.08609	4.4
97.10191	0.7
98.09697	2.4
99.09998	0.6
102.05539	1.5
103.03946	0.8
105.05521	0.9
105.07043	2.5
106.06570	1.5
107.08588	1.8
108.08117	0.9
109.10167	1.9
111.33691	0.5
112.11234	4.4
113.05983	1.9
113.11581	2.2
114.09172	0.7
118.06566	0.8
119.08556	1.5
120.08138	0.6
121.10140	1.1
124.99992	0.6
129.06927	0.5
130.08632	0.6
131.07034	2.0
131.08582	0.7
134.06015	6.6
134.09651	0.6
143.11838	1.6
144.10202	18.3
145.10484	1.0
147.04385	0.7
150.09119	0.9
154.15898	1.2
155.16234	0.6
162.11259	6.8
163.11475	0.8
169.13382	6.1
170.13747	2.8
171.11406	0.7
171.13972	0.5
173.15324	0.5
178.05017	1.5
183.09151	0.5
184.07330	3.0
185.07092	1.5
188.79657	0.5
197.12860	0.7
197.38077	0.5
200.12764	0.6
201.10168	0.9
208.09854	0.6
210.11591	0.7
211.08638	1.1
211.12392	0.7
211.18028	2.0
212.18381	1.2
218.13957	1.3
223.08743	1.0
223.12323	1.1
225.10219	0.8
225.14008	0.7
227.11923	0.7
235.12334	0.9
236.14931	100.0
237.10184	1.1
237.15297	12.5
238.11024	0.9
239.11899	0.8
239.17516	1.0
240.12480	1.1
247.08685	0.7
249.10114	1.1
251.08246	1.2
251.11584	0.7
253.13356	1.7
255.14944	2.2
264.12238	0.5
265.09695	1.1
275.08087	0.6
279.14948	1.2
284.11722	0.6
285.12463	0.6
290.15976	0.7
300.11292	0.8
300.15018	0.7
302.13007	1.0
303.07565	1.0
303.18753	0.6
312.11258	0.6
313.12073	0.7
313.27426	0.9
314.12772	1.4
316.14456	0.9
323.06445	0.7
324.11087	0.8
325.12231	1.1
326.12717	1.0
328.10947	0.6
328.14569	1.3
330.12292	1.3
338.12732	0.9
338.16415	0.6
340.10699	1.2
340.14398	1.3
342.12238	1.5
342.15997	0.9
344.14120	1.0
352.14474	1.0
353.11542	0.9
354.12271	1.4
355.13080	0.9
356.13864	1.0
357.10376	0.6
363.09692	1.3
364.14151	0.7
366.12460	1.7
368.13989	1.1
370.15576	1.4
372.13275	1.1
372.17310	0.6
374.15375	0.7
380.14096	1.3
384.13208	0.8
386.27036	1.0
387.16620	0.7
395.12308	1.0
399.15521	0.7
400.16922	0.8
402.14383	0.8
403.15451	1.0
404.16125	0.7
405.17172	1.2
408.13376	0.8
412.12869	0.7
414.26718	1.5
415.26837	1.6
416.16101	1.9
417.16995	1.9
426.13971	0.8
430.18155	0.7
431.19119	0.9
433.15802	0.6
435.17606	0.7
441.16913	1.0
442.24344	2.3
443.14407	0.7
443.24384	1.2
443.29810	0.9
444.30164	0.9
445.15915	1.1
446.16956	0.9
447.17743	1.0
456.36832	4.7
457.16711	0.7
457.36929	1.8
458.16953	1.1
459.17865	1.0
460.25635	4.0
461.20465	0.9
461.25775	2.2
462.26785	1.3
468.15955	1.2
471.28696	1.3
472.29041	2.1
473.19409	1.3
473.29236	1.1
474.20148	0.6
474.37900	12.3
475.38287	4.5
477.19183	1.6
487.20999	1.7
488.21805	0.8
490.19672	1.8
491.20624	1.4
496.14618	0.7
500.18295	0.8
501.19299	2.2
505.22803	1.4
512.35486	0.8
515.20886	3.4
516.21033	1.7
517.18414	0.8
518.19336	1.2
519.20160	0.8
528.17883	1.0
528.35242	0.7
532.20648	1.6
533.22266	2.6
537.25024	0.7
540.35315	1.2
543.19495	0.9
547.23364	3.4
548.23706	1.1
549.20892	0.8
557.38318	1.7
558.38623	1.0
560.20087	1.1
565.23651	0.7
575.22607	1.8
579.25623	1.0
584.37219	0.7
585.21069	0.7
585.37396	2.4
586.37726	1.5
589.24854	0.9
592.22687	2.3
593.23645	0.8
596.22321	1.0
607.25604	3.7
617.24036	7.1
618.23358	1.6
625.25952	2.1
635.24969	7.4
636.24683	1.0
639.28217	4.7
649.26593	12.1
650.26563	1.7
652.25110	0.8
667.27594	65.2
668.28027	13.7
670.47101	1.0
681.28943	2.4
681.46527	1.1
682.48938	5.6
698.48340	32.6
699.29797	20.3
699.48273	48.3
700.31683	4.3
700.49768	20.9
709.45117	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
55.05515	2.6
56.05032	2.5
57.03441	6.0
57.07078	4.9
58.06603	45.9
59.06940	1.1
59.07386	12.8
60.08170	10.2
61.08503	0.8
65.03925	1.0
67.05507	5.4
69.07073	4.5
69.65784	1.9
70.07394	0.9
71.01344	1.6
71.05006	0.6
71.08639	3.6
73.02918	0.8
75.04483	7.3
79.05502	5.1
81.03439	0.7
81.07061	5.3
83.04962	1.1
83.08632	1.3
84.08145	1.5
85.02895	2.8
85.10181	1.4
86.09711	30.1
87.04488	3.4
87.10041	6.3
88.10360	0.8
91.05488	3.2
93.07027	3.2
94.06581	1.0
95.04952	0.9
95.08609	4.4
97.10191	0.7
98.09697	2.4
99.09998	0.6
102.05539	1.5
103.03946	0.8
105.05521	0.9
105.07043	2.5
106.06570	1.5
107.08588	1.8
108.08117	0.9
109.10167	1.9
111.33691	0.5
112.11234	4.4
113.05983	1.9
113.11581	2.2
114.09172	0.7
118.06566	0.8
119.08556	1.5
120.08138	0.6
121.10140	1.1
124.99992	0.6
129.06927	0.5
130.08632	0.6
131.07034	2.0
131.08582	0.7
134.06015	6.6
134.09651	0.6
143.11838	1.6
144.10202	18.3
145.10484	1.0
147.04385	0.7
150.09119	0.9
154.15898	1.2
155.16234	0.6
162.11259	6.8
163.11475	0.8
169.13382	6.1
170.13747	2.8
171.11406	0.7
171.13972	0.5
173.15324	0.5
178.05017	1.5
183.09151	0.5
184.07330	3.0
185.07092	1.5
188.79657	0.5
197.12860	0.7
197.38077	0.5
200.12764	0.6
201.10168	0.9
208.09854	0.6
210.11591	0.7
211.08638	1.1
211.12392	0.7
211.18028	2.0
212.18381	1.2
218.13957	1.3
223.08743	1.0
223.12323	1.1
225.10219	0.8
225.14008	0.7
227.11923	0.7
235.12334	0.9
236.14931	100.0
237.10184	1.1
237.15297	12.5
238.11024	0.9
239.11899	0.8
239.17516	1.0
240.12480	1.1
247.08685	0.7
249.10114	1.1
251.08246	1.2
251.11584	0.7
253.13356	1.7
255.14944	2.2
264.12238	0.5
265.09695	1.1
275.08087	0.6
279.14948	1.2
284.11722	0.6
285.12463	0.6
290.15976	0.7
300.11292	0.8
300.15018	0.7
302.13007	1.0
303.07565	1.0
303.18753	0.6
312.11258	0.6
313.12073	0.7
313.27426	0.9
314.12772	1.4
316.14456	0.9
323.06445	0.7
324.11087	0.8
325.12231	1.1
326.12717	1.0
328.10947	0.6
328.14569	1.3
330.12292	1.3
338.12732	0.9
338.16415	0.6
340.10699	1.2
340.14398	1.3
342.12238	1.5
342.15997	0.9
344.14120	1.0
352.14474	1.0
353.11542	0.9
354.12271	1.4
355.13080	0.9
356.13864	1.0
357.10376	0.6
363.09692	1.3
364.14151	0.7
366.12460	1.7
368.13989	1.1
370.15576	1.4
372.13275	1.1
372.17310	0.6
374.15375	0.7
380.14096	1.3
384.13208	0.8
386.27036	1.0
387.16620	0.7
395.12308	1.0
399.15521	0.7
400.16922	0.8
402.14383	0.8
403.15451	1.0
404.16125	0.7
405.17172	1.2
408.13376	0.8
412.12869	0.7
414.26718	1.5
415.26837	1.6
416.16101	1.9
417.16995	1.9
426.13971	0.8
430.18155	0.7
431.19119	0.9
433.15802	0.6
435.17606	0.7
441.16913	1.0
442.24344	2.3
443.14407	0.7
443.24384	1.2
443.29810	0.9
444.30164	0.9
445.15915	1.1
446.16956	0.9
447.17743	1.0
456.36832	4.7
457.16711	0.7
457.36929	1.8
458.16953	1.1
459.17865	1.0
460.25635	4.0
461.20465	0.9
461.25775	2.2
462.26785	1.3
468.15955	1.2
471.28696	1.3
472.29041	2.1
473.19409	1.3
473.29236	1.1
474.20148	0.6
474.37900	12.3
475.38287	4.5
477.19183	1.6
487.20999	1.7
488.21805	0.8
490.19672	1.8
491.20624	1.4
496.14618	0.7
500.18295	0.8
501.19299	2.2
505.22803	1.4
512.35486	0.8
515.20886	3.4
516.21033	1.7
517.18414	0.8
518.19336	1.2
519.20160	0.8
528.17883	1.0
528.35242	0.7
532.20648	1.6
533.22266	2.6
537.25024	0.7
540.35315	1.2
543.19495	0.9
547.23364	3.4
548.23706	1.1
549.20892	0.8
557.38318	1.7
558.38623	1.0
560.20087	1.1
565.23651	0.7
575.22607	1.8
579.25623	1.0
584.37219	0.7
585.21069	0.7
585.37396	2.4
586.37726	1.5
589.24854	0.9
592.22687	2.3
593.23645	0.8
596.22321	1.0
607.25604	3.7
617.24036	7.1
618.23358	1.6
625.25952	2.1
635.24969	7.4
636.24683	1.0
639.28217	4.7
649.26593	12.1
650.26563	1.7
652.25110	0.8
667.27594	65.2
668.28027	13.7
670.47101	1.0
681.28943	2.4
681.46527	1.1
682.48938	5.6
698.48340	32.6
699.29797	20.3
699.48273	48.3
700.31683	4.3
700.49768	20.9
709.45117	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01835	0.3
55.05486	0.3
56.87731	0.2
59.89605	0.2
66.80358	0.2
67.05478	0.8
69.07038	0.3
75.41847	0.2
79.05474	0.6
81.07021	0.6
83.04958	0.2
88.64324	0.2
91.05459	0.7
93.07008	0.7
95.08568	0.2
97.06509	0.2
105.07049	0.4
107.08541	0.6
109.10126	0.3
115.03663	0.6
119.08593	0.3
131.08533	0.3
133.10152	0.5
145.10112	0.2
157.10214	0.3
160.86125	0.2
171.11642	0.2
175.89273	0.2
185.04176	0.4
277.08945	35.6
278.09274	1.3
421.13116	0.3
667.24884	0.3
699.35590	100.0
700.35913	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	699.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08001	0.2
67.05499	0.2
69.11652	0.3
69.12052	1.2
74.00751	0.2
81.07067	0.2
106.50398	0.2
136.54897	0.2
185.04268	0.6
259.08063	0.5
301.20001	0.2
306.64700	0.2
347.09418	1.1
365.10834	0.2
375.25049	0.3
403.15451	0.2
421.13098	0.2
537.30322	17.4
538.30664	1.6
573.21198	0.2
589.20593	0.2
595.52826	0.2
617.20197	1.4
649.23138	0.3
667.23962	1.4
699.35559	100.0
700.35883	13.3
700.48340	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42924	0.1
52.67775	0.2
55.05502	0.2
67.05502	0.4
69.96253	0.7
79.05482	0.2
92.20130	0.2
93.07019	0.3
123.27416	0.2
135.71579	0.2
143.68449	0.2
173.02963	0.2
185.04224	0.9
203.05263	1.6
259.07941	1.4
301.20157	0.4
305.08408	0.4
347.09436	1.2
365.10483	2.8
375.25183	0.2
421.13055	1.0
537.30310	15.7
538.30878	1.6
699.35559	100.0
700.35889	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	700.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	8.4
57.03429	6.5
57.07072	23.0
57.45620	2.2
61.02916	10.2
67.05507	18.3
69.07049	8.5
71.08632	17.1
71.29105	2.9
71.29465	2.7
71.48171	2.4
73.02919	3.4
75.04467	2.2
79.05482	10.3
81.03410	4.5
81.07054	21.8
83.08623	7.6
85.02903	13.6
85.10175	7.8
91.03940	6.3
91.05481	10.7
93.07047	7.2
95.08623	21.9
97.02885	7.7
97.06546	3.6
105.07015	8.8
107.04980	2.5
107.08582	5.0
109.10162	10.6
116.10664	2.2
117.07051	3.2
119.08575	4.5
121.10184	5.4
123.08082	2.7
123.11702	5.2
127.03925	7.3
133.10127	5.3
145.04945	6.5
163.06004	9.9
184.07416	3.9
211.04942	2.7
222.35724	2.3
236.14738	2.2
239.23671	24.9
257.24777	5.8
271.15219	3.9
307.22668	2.7
313.27338	100.0
313.31003	4.8
314.27670	8.7
321.55444	2.6
331.28394	33.6
335.94049	2.8
454.15051	2.3
499.93698	2.7
503.33661	12.9
624.24188	3.4
637.26636	4.7
668.24432	2.6
669.28412	3.6
700.49915	3.4
701.42566	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	700.499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.3
55.05513	3.0
57.03432	4.3
57.07080	5.4
58.06600	45.6
59.06908	0.7
59.07380	17.7
60.08165	10.7
63.23943	0.5
67.05501	6.7
68.99516	5.3
69.07066	3.4
71.04987	0.7
71.08624	3.6
73.02910	0.8
75.04478	3.0
79.05448	2.6
79.46417	0.5
81.07062	5.0
83.04971	0.9
83.08587	2.0
84.08107	2.0
84.61239	0.5
85.02892	2.8
85.10136	1.6
86.09669	2.3
87.04462	3.6
88.06834	0.6
91.05441	2.8
93.07044	2.9
95.08602	4.1
97.02882	0.7
97.06486	1.6
97.10114	1.1
100.11259	0.7
102.05524	4.8
105.06988	1.0
107.08595	1.2
109.10117	2.7
113.05941	2.1
117.07079	0.8
117.07841	3.5
119.08501	0.5
121.10114	1.1
123.11708	1.0
123.96729	0.5
124.22417	0.6
124.99983	1.0
129.05431	0.6
130.08611	2.2
131.06989	1.6
133.10086	0.8
135.11623	0.6
141.05455	0.8
144.10199	26.5
160.09636	2.2
162.09932	1.2
162.11256	19.1
184.07341	3.6
200.12822	2.6
202.14403	0.9
218.13866	13.4
234.13261	0.9
236.14920	100.0
237.15259	9.7
238.15427	2.9
254.13960	0.6
260.14969	7.5
261.15302	0.8
269.17581	1.0
272.14917	1.7
274.16534	1.2
278.15991	2.0
290.16028	6.7
304.17584	2.0
309.24380	0.6
310.88388	0.6
313.27408	1.4
318.19101	1.1
332.17029	5.3
332.20529	0.9
344.24368	1.6
346.18674	0.9
346.22482	0.9
351.15366	1.0
360.23907	0.8
372.23529	1.5
374.21796	0.8
388.23279	1.4
390.24643	3.6
402.24863	1.4
412.37918	1.3
416.26437	1.7
426.24887	1.6
430.28244	0.8
444.25717	3.3
456.36853	10.1
456.43228	0.7
457.37277	1.4
458.31412	1.0
462.26791	3.4
472.36353	1.2
474.37894	19.3
475.38074	2.9
476.38727	1.2
503.37042	1.0
528.39136	6.1
542.40332	1.5
556.41882	1.0
628.47974	2.5
654.49017	1.3
682.48889	16.4
683.49237	2.4
700.49799	96.0
701.39038	1.2
701.50281	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	700.499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.3
55.05513	3.0
57.03432	4.3
57.07080	5.4
58.06600	45.6
59.06908	0.7
59.07380	17.7
60.08165	10.7
63.23943	0.5
67.05501	6.7
68.99516	5.3
69.07066	3.4
71.04987	0.7
71.08624	3.6
73.02910	0.8
75.04478	3.0
79.05448	2.6
79.46417	0.5
81.07062	5.0
83.04971	0.9
83.08587	2.0
84.08107	2.0
84.61239	0.5
85.02892	2.8
85.10136	1.6
86.09669	2.3
87.04462	3.6
88.06834	0.6
91.05441	2.8
93.07044	2.9
95.08602	4.1
97.02882	0.7
97.06486	1.6
97.10114	1.1
100.11259	0.7
102.05524	4.8
105.06988	1.0
107.08595	1.2
109.10117	2.7
113.05941	2.1
117.07079	0.8
117.07841	3.5
119.08501	0.5
121.10114	1.1
123.11708	1.0
123.96729	0.5
124.22417	0.6
124.99983	1.0
129.05431	0.6
130.08611	2.2
131.06989	1.6
133.10086	0.8
135.11623	0.6
141.05455	0.8
144.10199	26.5
160.09636	2.2
162.09932	1.2
162.11256	19.1
184.07341	3.6
200.12822	2.6
202.14403	0.9
218.13866	13.4
234.13261	0.9
236.14920	100.0
237.15259	9.7
238.15427	2.9
254.13960	0.6
260.14969	7.5
261.15302	0.8
269.17581	1.0
272.14917	1.7
274.16534	1.2
278.15991	2.0
290.16028	6.7
304.17584	2.0
309.24380	0.6
310.88388	0.6
313.27408	1.4
318.19101	1.1
332.17029	5.3
332.20529	0.9
344.24368	1.6
346.18674	0.9
346.22482	0.9
351.15366	1.0
360.23907	0.8
372.23529	1.5
374.21796	0.8
388.23279	1.4
390.24643	3.6
402.24863	1.4
412.37918	1.3
416.26437	1.7
426.24887	1.6
430.28244	0.8
444.25717	3.3
456.36853	10.1
456.43228	0.7
457.37277	1.4
458.31412	1.0
462.26791	3.4
472.36353	1.2
474.37894	19.3
475.38074	2.9
476.38727	1.2
503.37042	1.0
528.39136	6.1
542.40332	1.5
556.41882	1.0
628.47974	2.5
654.49017	1.3
682.48889	16.4
683.49237	2.4
700.49799	96.0
701.39038	1.2
701.50281	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	701.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	12.7
57.03440	6.1
57.07064	4.3
58.06592	2.9
67.05506	23.1
69.07066	7.5
71.08643	2.9
71.28735	4.7
77.27151	2.8
79.05509	17.3
81.03407	3.8
81.07056	17.5
83.04993	5.0
83.08618	7.3
86.09672	3.2
91.05478	10.4
93.07048	16.8
93.55272	2.7
95.04987	6.0
95.08618	11.6
97.02896	2.8
97.10181	12.2
98.22739	2.8
105.07029	6.4
107.08581	13.1
109.10209	7.4
117.07018	2.8
119.08575	4.6
121.10165	6.9
125.09630	11.3
131.08589	3.4
135.11737	3.8
136.06113	2.8
159.98840	2.7
184.07303	13.9
189.11284	7.3
225.10371	3.6
227.12724	14.9
236.15031	9.3
245.11610	3.7
245.13800	19.3
249.10344	2.9
251.11719	2.9
261.22256	6.8
263.11740	5.9
265.13455	3.1
272.15747	4.8
290.13074	3.6
308.22922	2.9
320.13968	3.7
333.14377	3.3
334.15936	3.4
335.25735	13.4
346.15833	3.2
366.85770	3.1
372.13379	3.0
381.17258	4.6
391.15643	3.9
396.19449	3.9
397.20255	6.7
405.17114	3.3
407.18680	3.6
423.17789	4.6
424.19104	4.5
425.19714	9.1
434.17493	8.8
437.20007	6.5
452.21713	3.8
462.16376	13.2
475.17630	4.0
479.20959	5.2
482.23083	10.2
483.23795	7.9
484.24689	5.6
489.19183	4.2
490.15271	3.3
494.18741	13.0
495.20538	3.5
505.35422	7.4
507.20868	3.9
510.22488	4.9
511.23441	13.6
512.24127	21.2
521.22314	5.7
522.19177	4.1
525.25043	5.7
538.22003	3.6
539.22760	7.9
548.20404	5.6
549.21210	4.3
553.24542	3.5
554.25134	11.7
567.22778	5.4
577.20752	10.2
581.24072	17.3
595.21857	8.6
598.24243	9.2
599.25171	15.4
608.22449	17.1
609.22803	13.0
613.26715	9.5
619.22211	4.5
623.25122	17.2
626.23682	23.7
627.24445	24.9
637.26440	5.0
641.25977	32.5
642.26563	3.4
651.24335	20.3
652.25153	4.1
669.25458	65.0
670.25977	7.6
682.47943	3.6
683.26672	3.5
700.47858	4.8
701.28119	100.0
701.46271	17.9
702.27924	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49578	0.5
53.03948	0.9
55.01863	2.2
55.05509	2.4
57.03428	2.3
57.73630	0.4
61.02932	3.6
67.05499	3.2
69.03428	6.9
69.07080	2.5
69.42797	2.9
70.06590	0.6
71.01352	0.9
71.04975	0.8
73.02915	2.8
79.05492	4.4
80.05799	0.7
81.03421	3.5
81.07050	2.3
83.04987	4.6
85.02910	5.1
85.06544	0.8
91.03952	2.0
91.05488	3.8
93.07032	2.4
95.04952	1.3
95.08583	0.7
97.02897	3.7
97.06534	14.5
98.06847	2.8
98.23488	0.5
99.04456	1.9
101.02348	1.3
107.04937	1.2
107.08587	2.1
109.06517	0.6
109.10172	1.0
111.04448	2.3
111.08106	0.6
113.06039	1.1
117.07034	1.1
117.17712	0.4
119.04926	0.6
119.08597	2.1
121.10172	0.9
125.09617	4.7
127.03908	1.9
131.08548	0.6
133.10194	0.5
135.08032	1.3
135.11755	0.6
137.09570	0.6
138.05392	0.7
145.10143	0.9
147.04413	2.0
147.08038	0.7
147.11668	0.6
153.09106	6.0
153.12730	1.0
157.06470	0.6
163.03903	1.0
163.11208	2.1
165.09059	0.6
171.08113	0.6
173.09708	0.6
175.07468	0.6
179.75694	0.5
179.97079	0.5
181.08607	1.2
181.12234	1.7
185.09613	0.9
187.91748	0.6
189.09184	0.7
191.06961	0.6
191.10681	1.3
197.06355	0.5
199.07477	0.8
211.11224	0.5
213.09131	1.2
214.09450	0.5
215.06990	0.8
227.07047	0.6
227.12807	0.7
239.08908	3.0
241.08528	1.4
241.12215	1.1
242.08888	0.9
242.12560	0.7
243.08414	3.8
251.12471	0.8
259.09790	1.1
260.10165	0.6
267.12003	4.0
272.92032	0.5
274.05276	0.5
277.10556	0.6
287.12762	1.9
288.13065	1.3
294.12231	0.6
295.11581	0.9
296.13586	0.8
311.12863	1.1
312.13181	1.0
312.16812	0.5
313.14200	1.0
314.14627	1.1
323.14505	1.3
325.14297	0.8
327.16034	0.8
328.16248	0.7
330.14230	0.6
331.15454	2.0
332.15836	0.8
337.14102	1.0
338.14496	1.2
342.68582	0.6
355.15472	2.6
356.15634	4.3
373.16370	2.5
374.17004	3.6
439.15802	1.7
441.17264	2.1
457.16711	5.6
458.17511	0.7
467.18829	0.8
469.20422	1.3
485.19922	6.2
518.21045	0.9
535.21552	1.0
536.22290	1.0
539.24603	2.0
611.26404	1.5
669.30609	2.0
683.28424	2.8
701.30017	100.0
701.49573	8.2
702.30176	11.5
721.83307	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93285	0.4
52.70308	0.4
53.03949	0.5
55.05514	1.0
67.05514	2.0
69.07071	0.5
71.06068	1.1
71.08608	0.5
73.93927	0.4
79.05525	1.5
81.03432	0.7
81.07073	1.2
83.04981	0.7
83.08630	0.5
86.09718	0.5
91.05508	1.4
92.41344	0.4
93.07052	1.0
95.04999	0.7
95.08637	1.2
101.06044	0.6
105.07050	1.0
107.05041	0.5
107.08602	0.7
109.10151	0.9
117.07053	0.7
119.08611	0.7
120.08125	0.7
121.06602	0.4
121.10204	0.5
124.07605	0.6
131.08603	0.7
154.06590	0.6
168.06572	0.5
168.08075	0.5
182.08353	0.8
183.09184	0.7
184.07480	1.2
185.07146	0.4
196.09976	0.8
197.07060	0.5
197.10817	1.7
198.09219	1.1
199.08794	0.8
210.07964	1.2
210.11586	0.5
211.08714	1.9
211.12300	1.1
212.09245	1.0
212.10988	1.2
213.10037	0.6
214.12411	0.8
218.58510	0.4
221.10762	0.7
223.08742	0.9
223.12344	0.5
224.09561	0.7
225.10246	5.4
226.10979	1.1
227.11768	4.6
235.08678	0.8
237.06615	1.1
237.10315	1.6
238.11067	0.5
239.08237	2.1
239.11801	5.1
240.08774	0.5
240.12515	2.6
241.09811	1.1
241.13382	3.1
242.14053	1.0
249.10231	0.5
251.08235	1.2
251.11734	0.6
253.09805	1.8
253.13441	3.0
254.10495	0.5
255.11307	7.0
256.11945	0.6
257.12869	0.6
263.08197	0.6
264.09033	0.7
265.06177	5.3
265.09744	2.2
265.13300	0.9
266.10742	0.6
267.07721	2.8
267.11368	6.6
268.07932	0.6
268.11978	2.9
269.12759	2.7
271.10770	3.5
277.09656	0.9
279.07654	1.0
279.11258	0.8
280.08368	0.5
281.09418	1.0
283.07278	0.8
283.14417	1.1
285.09448	0.6
285.12427	2.5
286.13147	0.7
291.07788	1.2
292.08209	0.6
293.05646	3.4
293.09326	1.3
293.12662	0.9
294.09921	0.7
297.15945	0.5
298.57703	0.5
307.07254	1.3
307.10754	1.0
308.15244	0.6
309.08850	0.5
311.06656	0.5
311.10425	0.6
321.08899	1.0
323.10712	0.5
323.17773	0.7
325.08322	1.3
325.11938	0.6
335.10361	0.6
339.09885	0.8
351.10062	0.6
352.10446	0.7
353.11469	2.0
354.55475	0.5
367.12924	2.7
380.10046	0.5
382.92712	0.4
395.12473	1.1
417.17123	0.6
427.14960	3.2
431.15146	1.0
432.15344	0.6
445.16672	1.0
447.18060	1.4
449.15765	1.0
450.23651	0.7
459.17911	7.6
460.18457	0.7
461.15277	0.5
461.20407	0.8
462.18207	0.4
473.15561	0.6
475.17303	2.1
476.18250	0.7
477.15411	1.1
479.21051	1.3
487.17468	0.6
488.18375	0.8
489.19391	1.0
490.18655	1.1
491.20712	1.8
492.18048	1.0
502.19955	0.8
503.20123	1.5
505.35785	0.6
507.20334	3.9
517.22101	1.0
519.20862	0.6
529.18958	0.5
531.20624	0.5
545.21570	1.3
547.19550	1.1
549.22491	0.6
550.22272	2.0
562.22284	1.0
563.22418	0.8
577.24023	2.7
595.25366	1.2
605.23816	6.5
606.24274	1.0
609.27240	2.3
613.26007	0.7
637.26563	100.0
638.26904	15.6
669.29419	2.6
701.43274	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.6
56.66486	0.6
57.03432	0.7
57.07065	0.7
58.06609	0.7
61.96523	0.5
67.05493	2.8
69.07073	1.5
71.05003	0.8
71.08620	0.8
79.02664	0.6
79.05489	1.9
81.03430	0.9
81.07046	3.2
83.04958	0.8
83.08624	0.7
86.09686	0.7
91.05505	2.3
93.07056	2.6
95.04960	1.6
95.08607	1.7
97.10186	0.8
101.06020	1.2
105.07040	1.6
107.08569	1.2
109.10146	0.8
119.08559	1.0
131.08630	0.7
133.10081	0.9
155.37775	0.7
182.08400	1.1
183.09073	0.9
184.07394	1.8
196.09990	1.4
197.10785	1.9
198.09146	1.1
198.11534	0.8
209.07115	0.8
210.07906	1.2
211.08699	2.9
211.12151	1.3
212.10895	1.4
213.11620	0.9
214.12273	1.6
224.09453	1.8
225.10283	5.0
225.13849	0.9
226.10822	1.0
227.11723	5.0
235.08504	0.8
236.14972	0.8
237.06712	1.4
237.10260	1.1
238.10933	1.2
239.08197	3.1
239.11771	5.1
240.08655	0.7
240.12465	3.3
241.09776	1.1
241.13297	3.3
249.10258	1.1
251.08180	0.9
253.09787	2.3
253.13406	2.7
255.11284	6.6
264.08978	1.1
265.06143	6.7
265.09662	1.6
267.07895	4.6
267.11264	8.5
268.12057	3.0
269.09750	0.6
269.12888	2.4
271.10791	5.2
277.09625	1.4
279.07831	1.6
279.11234	0.8
281.09399	0.9
283.14612	0.9
285.12332	2.9
291.07834	1.3
293.05652	4.9
293.09222	2.1
293.12738	0.9
294.10013	1.2
305.09180	1.4
307.07388	1.5
307.10834	1.0
323.17340	0.8
325.08255	1.4
339.09839	1.5
353.11465	1.5
367.12970	2.1
395.12424	0.9
404.16367	0.9
419.19354	0.8
427.15167	3.2
431.15094	1.0
433.16324	1.0
445.16379	0.9
446.17471	0.9
449.16006	1.4
459.17896	6.3
460.19128	1.0
475.17679	2.5
477.15411	0.8
479.21826	0.8
489.19385	1.2
491.20688	3.8
503.17880	1.3
507.20151	4.8
515.17133	0.8
517.21771	1.1
545.22095	1.7
547.20380	1.2
549.25000	0.9
550.22052	1.8
573.21692	0.8
577.24359	1.9
589.49780	0.8
595.25531	2.0
605.23877	6.5
609.26923	2.2
623.15704	0.9
637.26532	100.0
638.26923	16.4
669.28510	2.4
701.28918	0.9
701.43463	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	701.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.3
55.05514	0.3
55.81628	0.2
57.07078	0.5
58.06601	0.2
58.27336	0.2
67.05507	0.7
68.42463	0.2
69.07066	0.3
69.43219	0.5
69.43626	0.8
71.08607	0.2
71.84605	0.2
79.05502	0.9
81.07065	0.5
84.39573	0.2
88.07652	0.3
90.11259	0.2
90.11819	0.3
91.05492	0.6
93.07056	0.3
95.04993	0.3
95.08627	0.5
105.07047	0.6
117.07072	0.3
121.10211	0.2
127.03893	0.2
129.07007	0.3
131.08542	0.4
133.42928	0.2
149.02361	0.8
154.56252	0.2
176.55347	0.2
184.07439	0.4
185.04283	0.6
193.05051	0.4
203.05220	1.5
211.08640	0.3
212.09540	0.3
225.10277	0.3
232.54547	0.2
241.09833	0.7
256.26404	0.9
259.07907	1.7
259.20935	0.2
269.12863	1.3
281.09186	0.3
305.08566	0.3
321.22842	0.4
328.10602	0.3
347.09488	1.2
347.57758	0.2
365.10602	3.0
385.09436	0.4
421.13226	1.0
427.11172	0.4
429.11469	0.3
447.18015	0.4
506.19135	0.6
539.31903	17.3
540.32269	2.5
609.23315	0.4
619.21979	0.4
627.26831	0.3
637.25116	0.7
651.24225	0.8
669.26709	0.7
669.39783	0.3
701.37122	100.0
702.37488	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	702.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27087	1.7
55.01873	2.3
57.03433	7.3
69.03433	22.0
69.60345	6.7
73.02906	2.6
73.63945	2.0
79.05505	2.7
80.28759	2.0
80.53754	1.8
81.03431	4.4
83.04993	4.7
85.02907	16.9
87.04451	9.1
91.05474	22.0
93.07035	2.5
95.04982	2.8
97.02877	16.2
98.06046	2.0
98.22665	2.4
102.04676	4.2
103.05470	14.6
105.03397	2.7
105.07043	10.5
107.04914	4.4
109.06531	2.6
111.04469	3.2
115.03950	12.0
115.05465	5.1
119.04951	26.4
119.08561	2.4
121.06540	5.7
122.03633	4.8
124.05164	2.7
127.03932	2.8
130.04146	8.2
131.04915	18.0
132.05687	2.3
133.02921	4.5
133.04962	9.7
133.06485	9.7
135.04431	4.0
137.05978	100.0
138.06314	2.6
143.04918	2.9
145.02898	4.4
145.06490	8.1
147.04422	30.9
147.08034	4.1
149.06010	8.1
150.06770	5.8
151.03949	2.9
151.07552	6.2
153.05511	2.5
158.03685	4.4
161.05980	22.2
162.06781	29.8
163.07550	20.0
165.05557	3.0
171.08080	6.4
173.05937	14.0
175.03983	2.9
175.07535	33.1
177.05536	11.0
179.07069	10.6
181.06493	2.6
185.05945	2.8
186.03189	4.3
191.07039	4.6
193.05037	6.7
194.07236	2.1
199.07533	5.0
201.05461	71.9
202.05769	4.0
203.06943	2.9
204.04167	3.0
205.06476	4.1
206.07263	3.7
207.06551	5.5
215.07062	2.8
219.06480	38.1
219.10040	4.7
222.06793	2.5
227.07011	6.6
231.06522	9.1
233.05994	3.5
237.09096	5.1
247.07526	2.5
249.07558	3.8
250.06357	2.6
259.12955	1.9
262.06366	4.1
263.06918	2.3
264.07800	2.6
265.08521	7.0
266.09268	3.1
277.08765	2.5
290.05664	2.4
293.08121	6.1
297.11240	4.4
305.08051	2.7
307.09491	10.9
310.08499	3.0
323.09167	16.3
325.10718	38.8
325.14194	3.9
326.10983	2.7
337.10620	11.0
343.11771	24.5
355.11731	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.01862	1.8
57.03442	2.9
60.04530	1.0
61.02916	0.5
63.99248	0.4
65.03943	0.8
69.00179	4.2
69.03429	12.6
79.05482	1.3
81.03401	0.8
83.04984	0.6
85.02429	0.6
85.02905	8.4
87.04465	6.7
89.03906	0.5
91.05481	9.1
94.04167	0.8
95.04979	1.0
97.02891	8.1
98.23369	0.9
102.04704	1.6
103.05470	6.9
105.03374	1.8
105.07020	5.0
107.04947	1.4
109.02867	0.8
109.06493	0.9
111.04433	0.9
115.03914	8.3
115.05421	3.0
117.07031	2.2
119.04940	11.7
121.06505	1.3
122.03602	1.6
123.04446	0.6
124.05257	1.0
125.05967	0.5
127.03922	1.0
128.06224	0.6
129.07004	0.8
130.04170	2.8
131.04001	0.8
131.04929	11.4
133.02861	3.6
133.04968	6.9
133.06487	6.2
134.03604	0.5
135.04404	1.9
137.05974	29.7
138.06319	1.4
143.04907	1.9
143.05949	1.0
145.02815	1.6
145.05064	0.6
145.06465	4.0
146.03601	0.6
147.04416	13.9
149.05954	3.8
150.06673	4.1
150.07782	1.0
151.03889	0.7
151.07500	1.7
155.05942	0.6
157.06505	0.7
158.03615	5.9
159.04433	1.0
160.05190	1.4
161.02364	1.1
161.05981	9.6
162.03143	1.1
162.06738	8.9
163.07545	8.7
170.03595	0.6
173.05980	16.6
174.06329	1.0
175.03915	4.7
175.07602	2.6
177.05515	6.6
177.06976	1.0
179.07007	3.7
186.03070	4.3
187.03955	0.8
189.05452	1.9
189.06958	0.7
191.07031	4.1
191.08545	0.9
193.04930	2.1
194.07208	1.0
195.06535	0.9
201.05458	100.0
202.05785	4.4
203.07013	2.1
205.06526	4.0
206.07190	1.4
207.06473	1.2
211.07628	0.6
213.05458	3.6
215.07047	1.8
217.06471	0.7
218.07161	0.7
219.06494	34.1
220.06889	1.3
221.05977	1.1
221.08000	1.0
222.06784	3.1
223.07379	0.9
227.07158	0.5
231.06526	6.1
233.05988	4.8
233.08026	0.9
234.06747	4.0
235.07405	1.7
237.09085	4.4
245.05850	0.9
247.07451	1.3
249.05367	0.5
249.09096	1.7
250.06201	4.0
251.06941	1.9
261.05432	1.3
262.06250	2.7
262.08719	0.5
263.09225	0.7
264.07706	2.1
265.08582	10.6
266.09259	1.5
267.06424	1.2
273.05316	1.0
275.09381	0.6
277.05493	0.7
277.08603	3.5
278.05832	2.6
278.08447	0.5
279.06604	1.5
279.10062	0.9
282.08835	1.2
290.05719	2.0
292.07324	3.5
293.07910	8.5
294.08804	1.3
295.06055	0.8
295.09836	0.8
297.11221	3.6
305.08118	3.3
307.06442	0.6
307.09604	10.7
308.10052	1.2
309.11182	0.9
310.08295	2.3
322.08228	0.7
323.09137	9.3
324.09528	0.6
325.10684	47.0
326.11020	4.2
337.10724	8.1
338.11005	0.9
339.12167	1.2
343.11765	13.5
344.12219	0.7
355.11746	33.3
356.12051	3.0
373.12741	1.9
397.12836	0.5
398.22723	0.5
404.19482	0.4
408.13553	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.0
55.01867	12.0
55.05511	43.8
57.03160	2.0
57.03439	26.4
57.07045	1.2
59.05000	4.3
60.05644	2.9
61.02927	8.2
65.03931	3.3
67.05503	52.1
69.03433	6.5
69.07067	12.6
70.09634	3.9
71.01328	1.3
71.05002	6.2
73.02910	2.6
74.25821	1.2
77.03942	1.4
79.05492	50.4
81.02985	2.1
81.03420	26.9
81.07053	46.9
83.01342	11.2
83.04983	20.0
83.08615	21.8
85.02908	12.6
85.06561	2.3
91.03965	2.9
91.05479	31.5
93.07043	48.3
94.07362	2.2
95.04971	32.2
95.08601	18.0
97.02890	8.7
97.06516	9.6
97.10159	16.3
99.04455	4.6
103.05444	2.5
105.07033	18.6
107.04951	19.2
107.08598	29.8
109.02884	2.7
109.06523	11.9
109.10144	10.3
111.04454	2.4
111.08083	3.5
111.39952	1.4
115.05466	1.6
117.07020	18.8
118.07314	1.4
119.08598	13.8
119.96665	1.4
121.06509	9.0
121.10150	13.6
123.08064	10.7
125.05995	3.3
125.09626	17.7
127.03888	2.2
128.06232	1.9
129.07014	3.8
130.07793	2.0
131.08575	14.1
133.10165	7.4
135.08043	7.9
135.11691	15.7
137.09621	2.0
141.06985	2.7
143.08566	2.6
143.10701	1.8
145.06471	1.7
145.10117	17.4
147.08073	2.6
147.11685	1.6
149.09621	2.4
149.13179	2.4
152.07178	1.2
153.09053	1.7
153.12737	4.1
154.07808	1.4
155.08533	1.3
157.10078	2.1
159.11694	8.8
161.09634	2.4
163.11188	22.2
169.10118	3.9
173.09564	2.2
177.12743	4.6
181.12283	2.9
187.11168	3.8
189.11240	12.2
191.10666	4.4
205.12225	7.3
209.11746	10.4
223.13287	67.7
224.13617	1.9
227.12778	21.4
229.14214	1.8
279.15891	4.8
283.15396	92.6
284.15775	4.1
297.16956	100.0
298.17200	6.3
321.82144	1.2
437.25455	7.2
453.24820	1.5
477.28339	1.8
487.26639	4.0
505.27933	92.2
506.28320	10.1
508.76904	1.6
523.28748	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	702.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99969	1.2
53.03946	5.2
55.01872	15.0
55.05509	36.6
57.03437	18.8
57.07066	2.4
59.04993	4.5
61.02916	8.0
65.03934	3.6
67.05505	59.3
69.03426	13.4
69.07059	12.3
71.01350	2.7
71.04988	6.2
73.02923	1.1
75.38307	1.3
79.05490	46.8
81.03420	25.9
81.07056	42.9
83.01335	12.1
83.04986	21.6
83.08614	21.8
85.02904	13.2
85.06535	4.0
86.09673	1.2
91.03944	2.8
91.05476	38.0
93.07042	48.5
94.07386	1.7
95.04967	30.9
95.08611	21.0
97.02885	8.7
97.06530	9.7
97.10167	17.4
99.04457	3.4
103.05470	2.5
105.04507	1.8
105.07024	19.6
107.04957	19.5
107.08595	26.0
109.02872	2.6
109.06536	10.1
109.10150	23.6
111.04453	3.1
111.08082	4.5
117.07018	18.7
119.08589	16.1
121.06506	11.5
121.10148	12.3
123.04492	2.3
123.08060	13.8
125.05998	2.4
125.09630	13.6
127.03942	2.8
128.06198	1.7
129.07010	4.7
131.08565	10.8
133.10121	7.6
135.08023	6.3
135.11671	15.3
137.09625	4.2
141.07043	1.4
143.08536	3.4
143.10654	3.9
145.06496	2.3
145.10112	22.2
147.08061	3.8
147.11688	4.0
149.09598	2.1
149.13211	1.8
151.11133	1.7
153.12700	2.2
159.11696	9.3
161.09622	2.4
163.11179	27.1
164.11629	1.7
169.10141	2.9
171.10179	1.2
173.09651	3.8
173.11768	4.4
177.12766	3.6
181.12204	3.7
184.07359	3.1
185.95361	1.2
187.11183	4.8
189.11198	11.8
191.10683	4.1
205.12250	8.5
207.13812	1.9
209.11703	12.3
210.18977	1.2
213.15085	1.6
223.13281	64.2
224.13623	3.2
227.12775	22.3
229.14342	5.1
248.46400	1.5
261.14728	1.9
269.65338	1.3
279.15918	4.1
281.17471	4.9
283.15393	100.0
284.15723	5.1
297.16956	80.4
297.20380	2.7
297.21954	1.5
298.17310	4.8
299.15005	3.4
437.25296	34.0
438.25681	2.5
453.24960	2.2
487.26743	5.8
505.27927	91.1
506.28375	9.3
523.28839	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.2
55.05506	9.4
57.03439	4.2
57.07079	1.5
59.04988	1.5
59.79465	1.2
61.02938	1.9
66.06844	1.4
67.05495	10.6
69.03423	2.4
69.07075	3.9
70.75133	2.5
71.05003	1.4
79.05489	12.9
79.72058	1.4
81.03419	6.3
81.07057	12.1
83.01350	3.2
83.04987	6.0
83.08627	4.5
85.02911	4.2
91.05486	9.9
93.07044	13.5
95.04961	4.9
95.08613	5.3
96.29486	1.5
97.02867	2.3
97.06540	4.7
97.10173	5.2
105.07043	7.1
107.04975	5.6
107.08572	7.7
109.06533	4.2
109.10168	2.3
117.07003	5.1
119.08588	5.0
121.06496	4.5
121.10181	3.6
123.08071	3.7
125.09646	5.1
131.08557	2.2
135.08058	2.9
135.11676	8.2
143.10654	3.6
145.10123	8.3
146.86469	1.4
153.12704	2.3
163.11192	14.0
173.09686	2.8
181.12152	2.3
184.07359	2.9
209.11719	5.2
217.29089	1.4
223.13339	5.3
227.12798	7.2
246.90970	1.6
283.15402	100.0
284.15741	6.6
297.16989	6.8
314.14426	1.5
382.16260	1.6
413.62607	1.5
491.26382	33.5
492.26785	2.9
505.28152	13.3
703.23267	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	702.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.8
55.01872	3.8
55.05511	58.4
57.03444	16.1
57.07076	3.8
59.53941	1.8
61.02926	3.9
65.03927	2.5
67.05505	58.9
69.03442	7.6
69.07075	17.5
69.56075	5.9
69.56485	3.2
79.05489	46.8
80.05814	2.0
81.03427	3.0
81.07058	53.8
83.04993	8.7
83.08616	30.9
85.02912	4.7
85.06548	3.5
86.09718	4.2
91.05470	19.6
93.07043	46.6
95.04942	4.6
95.08605	28.8
97.02875	2.9
97.06559	2.8
97.10174	69.4
105.07045	13.5
107.08595	33.7
107.09290	2.6
109.06532	4.1
109.10154	20.1
111.08076	4.2
117.07035	6.7
119.08598	10.1
121.10152	16.7
123.11729	5.3
125.00010	3.5
125.09632	69.6
126.09958	2.4
131.08580	7.9
133.10155	7.0
135.08086	8.8
135.11679	12.5
145.10121	4.8
147.11719	6.2
149.13260	6.8
153.09103	5.2
159.11728	3.0
161.13272	4.2
163.14847	5.1
171.10118	3.6
173.13280	5.3
184.07355	15.8
187.14850	3.0
189.11229	48.2
189.96748	1.7
190.11525	2.5
212.24342	1.9
219.09975	1.8
227.12776	86.8
227.20055	3.1
228.13126	3.0
236.14983	2.4
243.21169	7.8
245.13829	100.0
246.14218	4.5
261.22125	24.1
279.23035	2.8
309.24133	2.3
313.27216	2.9
317.24756	6.4
335.25772	93.9
336.26089	6.0
390.32678	2.3
442.23804	2.0
447.57742	2.1
487.34280	5.6
498.81833	2.0
505.35260	60.8
506.35678	7.6
522.39276	2.4
523.36621	2.2
652.25073	2.1
702.45502	5.3
703.47430	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.2
53.16842	1.4
55.01868	4.9
55.05513	43.8
55.27284	1.5
57.03445	12.2
57.07063	2.3
58.06590	4.1
59.05016	2.0
60.08154	2.2
61.02901	2.4
65.03945	2.2
65.60831	1.4
67.05505	52.0
67.93710	1.5
69.03425	6.5
69.07064	13.0
71.04987	2.4
75.49370	1.5
79.05069	2.5
79.05499	36.9
81.03428	3.8
81.07059	45.6
83.04974	5.4
83.08619	31.2
85.02908	2.4
85.06492	1.6
86.09714	8.3
91.05479	14.7
93.07045	36.5
94.07394	1.6
95.04957	4.6
95.08616	29.6
97.06525	2.1
97.10172	54.5
98.23398	3.4
105.07017	11.1
105.91946	1.6
107.04924	1.6
107.08588	31.5
109.06513	2.6
109.10167	17.7
117.06985	5.2
119.08581	7.8
121.10143	13.4
123.11695	3.4
125.00005	5.8
125.08736	3.4
125.09634	57.0
131.08594	8.4
133.10135	6.8
135.08044	5.6
135.11708	8.8
137.13239	2.0
143.10670	2.9
145.10120	5.8
147.11671	4.2
149.13274	5.3
153.09085	3.3
159.11668	4.2
161.13300	2.5
163.14832	2.7
171.10194	3.1
173.13292	3.1
177.16432	2.1
184.07333	26.2
187.14815	2.4
189.09586	1.3
189.11212	50.7
227.12779	78.0
228.13052	3.9
236.14915	4.0
243.21135	6.5
245.13849	100.0
246.14233	4.8
261.22107	22.8
279.23080	1.9
309.23886	1.8
317.24667	2.8
335.25806	66.6
336.25995	4.8
432.04007	1.8
483.23685	2.5
487.34113	5.5
505.35199	38.3
506.35327	3.5
513.24097	2.4
523.36163	2.3
533.58301	1.8
578.20874	2.1
609.22534	2.8
624.24872	3.5
627.22736	2.5
628.24512	2.9
638.26306	3.5
642.25946	4.4
652.24481	2.7
670.26196	6.7
687.91766	1.8
702.28949	12.7
702.45764	7.4
703.47540	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	702.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.3
56.04839	0.1
56.05041	1.2
57.03422	0.1
57.07059	0.2
58.06622	0.5
59.07388	0.3
60.08164	7.4
67.05503	0.6
68.39408	0.1
69.07054	0.4
70.06599	0.2
71.07377	4.0
71.08616	0.3
79.05482	0.6
80.37368	0.1
80.58800	0.1
81.07049	0.5
83.04982	0.2
83.08627	0.3
84.30100	0.1
85.10181	0.1
86.09705	35.2
87.10035	0.6
89.06033	0.3
91.05483	0.3
93.07050	0.3
95.08598	0.4
95.60575	0.1
96.25606	0.1
97.10164	0.2
98.98462	3.8
104.10744	3.4
105.06994	0.2
107.08585	0.2
109.10189	0.1
117.26258	0.1
121.10194	0.2
125.00003	24.2
128.54254	0.1
133.08672	0.2
136.06172	0.2
143.01071	0.4
166.02634	0.2
168.30937	0.1
181.40991	0.1
184.07339	100.0
185.07695	2.1
294.49591	0.2
346.67709	0.1
498.05576	0.1
512.26141	0.1
568.02795	0.2
702.46918	4.5
703.47363	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31290	0.2
55.01852	0.6
55.05486	1.3
56.05018	0.4
57.03439	5.1
57.07079	3.8
58.06601	31.2
58.07015	0.9
59.06915	0.6
59.07383	8.3
60.08165	9.9
62.82426	0.3
67.05507	2.6
67.37355	0.3
69.07071	1.4
69.66540	1.2
70.12435	0.3
71.04961	0.6
71.08637	3.0
73.02885	0.5
74.96841	0.3
75.04483	2.3
79.05491	1.9
81.03419	3.8
81.07068	3.0
83.04949	0.5
83.08611	2.1
84.08131	0.6
85.02898	2.4
85.10175	1.6
86.09692	1.9
87.04468	3.5
89.05969	0.6
91.05481	1.9
92.79368	0.4
93.05467	0.4
93.07005	1.3
95.04979	2.2
95.08120	0.3
95.08613	2.7
97.02881	0.3
97.06514	0.7
97.10136	0.8
100.11243	0.8
102.05516	0.9
103.03934	0.5
105.05479	0.7
105.06992	0.9
107.04975	0.5
107.08530	0.6
109.06472	0.3
109.10159	0.9
111.04396	0.4
113.05975	1.3
114.80065	0.4
116.10666	0.4
117.07045	0.3
119.08548	0.8
121.10123	0.6
123.11699	0.5
124.99990	1.3
125.71823	0.3
129.06972	0.7
130.08665	0.6
131.06999	1.0
131.08531	0.7
133.08609	0.4
144.10196	15.8
145.10385	0.9
147.11691	0.5
157.10103	0.4
162.11261	5.0
177.16884	0.3
184.07343	5.1
193.12236	0.4
200.12834	0.9
214.33925	0.3
218.13850	1.6
236.14922	93.7
237.15277	5.6
238.15437	0.8
243.04008	0.3
271.15417	0.4
283.15439	1.1
297.24112	1.5
309.24448	0.5
313.27383	1.3
323.18597	0.5
366.26633	0.3
369.30109	0.5
410.25314	4.0
412.37891	1.1
428.26450	5.7
429.26764	0.6
437.10062	0.3
456.36789	6.9
457.37222	0.7
474.37909	15.5
475.38309	2.1
476.38373	0.3
505.35385	0.9
638.25098	0.3
666.49335	100.0
667.49664	17.7
684.49323	1.8
702.50604	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	702.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96574	0.4
53.03926	0.4
55.01855	0.9
55.05480	1.7
56.93574	0.4
57.03439	6.1
57.07080	6.5
58.06602	39.4
58.07012	1.2
59.06919	0.7
59.07384	10.9
60.08165	10.6
67.05501	4.0
68.98128	1.4
68.98549	2.0
69.07069	2.1
71.04973	0.5
71.08632	3.7
73.02884	0.9
75.04482	3.3
79.05494	1.9
81.03423	5.5
81.07057	3.1
81.65239	0.4
83.04976	0.5
83.08622	1.9
84.08110	1.2
84.59666	0.4
85.02903	2.4
85.10179	1.9
86.09712	2.2
87.04465	4.4
89.06020	0.9
91.05495	2.0
91.24850	0.4
92.79377	0.5
93.07048	1.8
95.04974	1.9
95.08614	3.0
97.06527	0.9
97.10150	1.0
98.04205	0.4
98.23386	0.7
100.11209	0.6
100.50772	0.4
100.72751	0.4
102.05529	1.0
103.03939	0.5
105.06991	1.4
107.04895	0.5
107.08534	0.9
109.06515	0.6
109.10127	1.5
113.05952	1.5
119.08540	1.2
119.12964	0.4
121.10076	1.1
124.99951	0.7
128.07092	0.4
129.06972	0.7
131.06978	1.2
131.08568	0.6
133.08563	0.5
135.11703	0.5
137.13171	0.4
142.08580	0.4
144.10194	16.2
144.11328	0.8
145.10515	0.6
149.09549	0.4
157.10083	0.5
159.06456	0.6
162.11264	5.6
163.11511	0.4
184.07346	4.2
194.29936	0.4
196.57463	0.4
197.82385	0.3
200.12756	0.9
218.13802	1.2
236.14923	91.9
237.15254	6.7
238.15385	1.1
271.15399	0.7
283.15283	1.3
297.24240	1.1
309.24216	0.5
313.27304	1.2
410.25406	3.1
412.37766	0.9
428.26392	6.7
446.27020	0.5
456.36810	7.2
457.37241	1.0
458.82977	0.4
474.37875	15.0
475.38034	2.5
476.38773	0.5
505.35339	0.9
620.24811	0.4
666.49353	100.0
667.49719	16.0
684.49805	2.3
702.50769	6.5
703.51227	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07866	1.0
52.21571	1.0
52.56024	1.0
55.01870	4.8
55.05504	1.7
57.07073	2.9
67.05499	4.2
68.24824	1.0
69.07071	1.5
69.60455	1.3
71.08640	2.0
79.05466	2.5
81.07071	3.3
83.08627	1.4
89.05998	1.2
91.05460	1.5
93.07040	1.4
95.08624	4.2
97.06541	2.0
98.23385	2.2
105.07047	1.7
109.10138	1.7
121.10157	1.6
133.10088	1.3
162.05293	1.1
184.07394	2.2
192.72960	1.1
229.14308	1.6
275.54184	1.1
410.21091	1.0
431.18732	3.0
433.24097	2.3
441.17416	1.2
445.20297	3.8
459.21661	5.2
460.22562	4.5
461.23410	4.3
469.20425	2.2
471.21649	2.1
515.23950	1.1
527.24567	4.2
547.27032	15.0
548.27228	1.5
552.56879	1.3
555.27405	1.4
556.27399	1.2
557.29047	3.2
571.24121	1.9
575.50269	1.8
587.28180	1.4
591.49133	1.7
607.28967	2.9
615.31702	2.2
643.32697	12.8
644.32629	2.5
703.34845	100.0
704.35333	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	703.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.1
55.05519	1.8
57.03441	1.0
57.07080	2.7
67.05505	2.9
69.07071	2.8
71.08617	1.4
79.05494	2.3
79.82251	0.9
81.07073	3.9
82.07391	0.9
83.08616	1.3
85.10190	1.2
86.09705	1.3
86.46265	0.9
89.06049	1.5
91.05488	2.0
93.07064	2.9
95.08585	2.1
105.07050	1.0
107.08608	1.2
109.10153	1.3
113.00042	1.5
119.08619	1.5
120.82007	1.0
121.10124	1.0
126.71747	1.1
133.08601	1.2
133.10132	1.2
157.08890	0.9
163.58246	1.0
184.07388	3.6
265.87317	0.9
401.17795	1.3
403.19382	2.4
404.20078	1.4
407.89697	0.9
415.15012	1.6
415.19861	1.6
416.15887	1.8
416.20862	1.4
417.21042	5.5
418.21732	1.0
419.22247	2.2
429.17163	2.7
430.17413	4.6
431.18607	4.1
431.23441	1.5
432.23581	2.1
433.23849	2.7
441.21024	1.3
443.18387	1.8
444.19632	4.1
445.20111	10.0
446.21024	2.1
455.18698	1.4
457.19836	1.8
458.20874	2.4
459.21701	13.5
460.22418	8.3
461.23553	2.4
469.20383	2.3
470.21088	1.6
471.22284	1.1
473.23636	2.1
483.21808	8.9
484.22803	5.2
485.23541	3.0
517.23169	1.9
520.24310	1.1
531.24414	4.6
532.24152	1.2
546.26563	4.1
547.27179	8.5
573.48822	1.4
574.49310	1.3
575.50452	2.7
577.24615	2.5
591.26056	4.1
591.36151	1.3
591.49225	1.2
605.27698	1.3
606.28320	18.3
607.28839	5.0
630.28363	3.9
631.26233	2.1
635.46643	1.2
643.33026	2.6
645.29852	1.3
660.29834	1.9
703.34900	100.0
704.35034	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	703.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26159	1.1
53.03939	5.3
55.01868	7.6
55.05278	2.2
55.05515	26.6
57.03199	1.3
57.03432	8.2
57.07077	2.9
58.83263	1.2
59.05016	1.6
61.02930	11.1
65.03938	2.9
67.05507	36.3
68.00891	1.1
68.05851	1.5
69.03429	16.8
69.07075	9.9
69.73959	5.7
71.01347	3.1
71.04991	4.7
73.02931	6.7
75.04477	1.4
79.05498	30.8
80.41024	1.2
81.03426	24.1
81.03869	1.0
81.07056	25.3
81.70825	1.1
83.01333	2.7
83.04991	9.5
83.08624	13.8
84.86214	1.3
85.02905	15.2
85.06528	2.4
91.03949	4.6
91.04968	2.1
91.05489	27.3
92.05790	1.2
93.07050	25.3
94.05552	1.2
95.04956	10.1
95.08611	14.1
97.02883	15.0
97.06520	4.3
97.10162	13.1
98.22607	1.4
99.04423	2.8
103.05480	1.6
105.04483	1.5
105.07036	23.2
107.04951	6.5
107.08595	14.1
109.02874	5.8
109.06512	4.6
109.10156	8.8
111.04433	3.4
111.08089	3.8
113.06017	3.0
115.05456	2.4
117.07030	15.5
119.04910	1.6
119.08572	17.3
121.06532	3.8
121.10151	7.6
123.08052	4.6
123.11716	2.0
125.09618	10.3
127.03901	5.7
128.06186	3.2
129.06984	11.9
130.07800	2.1
131.08569	16.0
133.06528	2.7
133.10118	11.2
134.10435	1.6
135.08069	6.5
135.11700	5.2
137.09612	2.1
141.06978	5.3
142.07779	4.0
143.08551	14.7
145.06482	3.0
145.10103	15.2
146.10445	1.5
147.08078	3.0
147.11739	8.2
149.02327	3.2
149.09615	3.6
149.13297	2.4
153.07030	2.4
153.12749	1.9
154.07811	1.6
155.08530	9.8
156.09305	2.1
157.06535	1.8
157.10135	14.5
159.08066	3.1
159.11699	9.9
161.09561	1.7
161.13248	3.2
163.07506	1.6
163.11104	6.4
165.06969	1.8
167.08568	5.4
168.09370	1.7
169.10072	11.2
171.08022	3.2
171.11685	11.0
172.11903	1.5
173.04492	7.2
173.09592	4.5
173.11867	1.4
173.13261	5.7
175.11240	3.4
177.12674	1.3
181.10133	4.3
181.12262	2.3
183.08000	2.9
183.11705	9.4
184.07278	2.1
185.09651	3.6
185.13242	5.8
187.11189	2.2
187.14870	2.4
189.11201	5.4
191.10635	3.0
193.04980	2.1
193.10158	3.4
195.11673	5.9
197.09543	2.1
197.13271	5.1
199.11194	3.2
199.14864	4.0
206.10884	1.5
207.11742	3.3
209.13268	4.8
211.11143	2.8
211.14862	2.9
213.12799	2.6
213.16396	1.6
219.11697	2.0
221.13316	2.2
223.14857	2.7
225.12811	1.7
227.12660	9.8
233.13165	1.9
235.14816	2.7
237.12721	1.9
251.14435	1.6
256.26303	2.7
257.19012	2.8
259.20572	3.8
271.20508	1.5
279.42166	1.3
283.15454	6.3
291.19724	2.3
295.20422	2.1
297.21994	6.9
299.20322	1.6
311.20190	1.9
315.23312	2.3
321.22034	1.8
325.21637	3.8
346.59698	1.3
349.21432	2.2
351.23282	1.4
367.22699	1.9
385.23776	1.7
421.31097	3.0
431.29443	4.9
441.26642	1.7
449.30511	7.4
459.27551	1.9
467.31506	3.9
485.32248	2.0
487.31830	1.7
513.35632	2.1
523.33893	11.3
541.35242	100.0
542.35754	15.5
547.34027	1.5
559.36530	3.1
583.35901	3.5
621.23145	1.5
631.36029	2.1
649.37146	3.9
667.38232	4.0
685.39215	7.8
686.39203	2.0
703.39319	41.7
704.39569	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	704.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	2.0
53.03945	2.8
55.01878	7.0
55.05513	18.4
57.03440	10.7
57.07052	0.9
59.05004	3.4
61.02928	5.0
65.03922	1.2
67.05509	15.1
69.03430	2.9
69.07076	4.8
69.83373	2.7
71.01328	1.6
71.05003	2.8
72.74533	0.5
73.02903	1.2
79.05496	17.1
80.05785	0.5
81.03415	11.3
81.07058	21.7
83.01342	6.2
83.04981	8.9
83.08617	15.3
85.02907	5.1
85.06535	1.7
91.03942	1.2
91.05480	23.3
92.05756	0.8
93.07043	24.6
95.04456	0.6
95.04971	7.3
95.08598	7.3
97.02310	0.6
97.02887	7.6
97.06541	4.9
97.10146	2.0
99.00215	1.2
99.00818	15.4
99.04465	2.9
100.01174	0.5
103.05442	1.5
105.07028	16.0
106.76841	0.6
107.04962	9.3
107.08590	13.3
109.02224	0.7
109.02885	9.5
109.06512	6.3
109.10155	5.1
111.04414	2.0
111.08085	4.2
113.06030	0.7
115.03911	1.6
117.07030	8.3
118.07362	0.7
119.08577	12.3
121.06505	8.8
121.10139	6.7
123.04424	2.1
123.08067	7.8
123.11670	2.2
125.05932	1.4
127.03909	3.1
128.06224	1.2
129.06955	1.4
130.07748	1.4
131.08578	2.8
133.06438	1.7
133.10130	30.5
134.10464	1.2
135.08067	2.6
135.11699	9.3
137.05959	1.4
137.09575	2.7
139.07538	3.0
143.08549	4.0
145.06508	1.3
145.09010	0.8
145.10118	11.5
147.08018	2.1
149.09592	0.7
151.11176	9.8
153.06902	0.7
153.09134	0.6
153.12714	2.0
155.08551	1.3
161.08244	0.8
161.09613	16.2
162.09937	0.9
163.11180	19.8
164.11594	1.0
165.09093	1.2
171.08034	3.4
173.09622	2.3
179.10680	9.0
181.12244	2.9
189.09114	7.6
191.10634	2.4
197.11806	2.5
207.10132	2.5
209.11678	5.7
225.11218	12.0
227.12802	3.7
243.12328	2.5
281.13852	5.8
283.15399	100.0
284.15759	5.0
299.14886	89.3
300.15237	5.0
369.15509	0.5
507.25888	80.8
508.26126	7.4
534.47327	0.6
672.22083	2.2
673.24548	5.4
704.24231	8.8
705.27002	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	704.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00280	2.3
53.03921	2.6
55.01876	6.4
55.05513	19.5
57.03438	13.7
57.07053	1.3
58.00349	0.5
59.05007	4.0
61.02924	4.9
67.05506	14.1
69.03395	2.4
69.07082	3.4
69.78038	1.7
71.01325	1.9
71.04990	3.3
73.02900	1.3
74.61627	0.5
77.03880	0.7
79.05495	16.8
81.03418	8.7
81.07058	21.2
81.27032	0.5
82.07377	0.6
83.01343	6.6
83.04500	0.6
83.04981	9.6
83.08167	1.1
83.08616	14.4
85.02898	6.3
85.06504	1.9
91.03915	1.7
91.05481	20.9
92.55088	0.6
93.07047	25.1
95.04969	7.3
95.08607	7.2
97.02884	7.4
97.06522	5.0
97.10139	1.5
98.23304	0.9
99.00816	14.1
99.04465	3.0
103.05422	1.0
105.04517	1.3
105.06406	1.2
105.07033	16.8
107.04959	9.0
107.07870	0.7
107.08596	12.4
109.02199	1.0
109.02874	9.6
109.06525	7.2
109.10162	3.5
111.04412	2.8
111.08086	3.4
115.03901	1.9
117.07011	7.3
119.07787	0.9
119.08579	12.9
121.06495	9.6
121.10155	5.7
123.04411	1.8
123.08052	6.3
123.11691	2.3
125.05998	0.9
125.09584	1.3
127.03888	2.8
128.06187	0.6
129.05429	0.7
129.06979	1.3
130.07755	0.8
131.08560	3.2
133.06483	1.4
133.10130	31.2
134.10457	0.8
135.08043	2.0
135.11691	9.6
137.05981	1.5
137.09604	2.0
139.07509	2.7
143.08580	4.6
145.06445	1.5
145.10138	12.6
147.08025	2.7
151.11157	9.2
153.06966	0.6
153.09137	0.7
153.12706	1.6
161.09625	15.0
163.11189	19.0
164.11539	0.8
165.09105	1.3
171.08083	3.7
173.09573	2.5
179.10670	9.6
181.12192	2.7
189.09091	7.2
191.10670	2.0
197.11714	2.6
207.10172	2.9
209.11697	5.9
223.30644	0.6
225.11192	11.0
227.12778	3.9
243.12300	2.9
281.13806	7.3
282.13962	0.8
283.15393	100.0
284.15707	4.1
299.14886	96.6
300.15305	4.8
361.29315	0.6
413.39694	0.6
507.25888	92.0
508.26215	10.0
631.81158	0.8
673.24054	1.1
700.10492	0.8
704.24176	1.8
705.27057	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73144	0.1
55.03371	0.1
56.05039	0.9
58.06333	0.3
58.06635	0.5
60.08165	7.1
67.27306	0.1
69.60211	0.3
69.60596	0.4
71.07372	4.2
71.08631	0.2
86.09706	34.2
87.10042	0.5
98.98463	4.0
104.10737	2.4
107.08561	0.2
125.00005	23.5
137.58934	0.2
179.22830	0.2
184.07341	100.0
185.07684	1.6
213.63483	0.2
215.44093	0.2
279.43506	0.1
348.48004	0.2
461.80743	0.2
704.44940	3.6
705.44861	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02666	0.6
55.01836	1.8
55.05485	2.2
57.03436	8.4
57.07052	1.9
60.08132	1.8
67.05478	2.0
67.84012	0.6
69.07033	2.2
71.08605	1.3
71.32857	0.6
79.05453	2.4
81.03422	3.4
81.07052	3.5
83.04955	1.1
83.08598	1.6
84.08106	0.6
85.02911	5.5
86.09702	5.8
91.05446	2.0
93.07007	2.3
95.04972	1.1
95.08567	2.3
97.10151	1.2
98.98456	3.9
101.48433	0.6
105.07011	1.1
107.04905	2.4
107.08555	1.7
109.10074	1.1
111.04420	1.4
113.06002	9.9
119.08530	1.5
121.10136	1.4
124.99994	5.1
131.08545	0.9
145.10086	1.1
155.01006	0.8
163.11177	0.9
184.07344	20.8
191.10712	1.1
223.13101	0.9
227.12839	0.9
236.14923	1.0
249.10992	3.0
265.14337	1.9
278.20963	0.8
283.15088	0.7
311.25903	1.9
313.27344	2.1
335.25494	0.7
361.16232	6.7
391.28452	3.5
495.45752	0.7
501.35651	4.7
533.38129	5.2
561.37347	3.5
562.37805	1.2
601.40674	11.6
602.41095	1.9
617.40216	100.0
618.40643	12.9
645.39648	3.3
704.46985	50.4
705.47296	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	704.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54979	0.5
51.99467	0.6
53.03924	1.1
53.13953	0.5
55.01855	1.2
55.05511	4.5
56.05010	1.0
57.03439	5.4
57.07053	1.2
58.06598	41.1
59.04981	0.6
59.07382	11.0
60.08162	14.2
67.05508	6.5
68.53378	0.5
69.07038	1.7
70.06579	0.6
71.04953	0.9
71.07370	3.0
71.08603	1.3
73.02885	1.1
75.04460	2.3
77.38181	0.5
79.05490	6.9
81.03383	2.5
81.07061	5.7
83.01304	1.8
83.04957	1.8
83.08585	1.7
84.08110	1.5
85.02907	3.2
86.09705	24.4
87.04465	4.1
89.06002	1.4
91.05481	3.5
91.06451	0.5
93.07035	6.1
95.04944	1.5
95.08599	3.9
97.06500	1.1
98.22520	0.8
98.98430	2.0
100.61966	0.6
102.05529	1.2
104.10733	2.0
105.07001	2.4
107.04889	1.1
107.08603	3.7
109.06472	0.7
109.10137	1.2
113.05975	1.2
117.06976	1.1
119.08545	2.1
121.06444	0.7
121.10145	2.1
123.08031	0.7
124.99998	17.2
128.04419	0.6
130.08589	0.8
131.07011	1.5
133.10165	0.8
135.11642	1.2
144.09105	0.9
144.10188	15.6
145.10158	2.1
147.04367	0.7
162.11261	6.1
163.11140	1.9
184.07336	76.6
185.07689	1.6
200.12773	0.8
209.11682	0.7
218.13879	1.8
229.59755	0.6
235.64136	0.6
236.14915	93.4
237.15205	3.4
271.15393	0.5
280.25720	0.5
283.15518	1.1
283.56476	0.6
319.37463	0.7
382.26013	0.6
404.99030	0.6
426.24832	6.9
427.25293	0.8
444.25928	22.4
445.26566	2.0
478.35379	3.3
496.36279	5.2
507.36862	1.3
686.47083	1.3
704.47266	100.0
705.47742	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54979	0.5
51.99467	0.6
53.03924	1.1
53.13953	0.5
55.01855	1.2
55.05511	4.5
56.05010	1.0
57.03439	5.4
57.07053	1.2
58.06598	41.1
59.04981	0.6
59.07382	11.0
60.08162	14.2
67.05508	6.5
68.53378	0.5
69.07038	1.7
70.06579	0.6
71.04953	0.9
71.07370	3.0
71.08603	1.3
73.02885	1.1
75.04460	2.3
77.38181	0.5
79.05490	6.9
81.03383	2.5
81.07061	5.7
83.01304	1.8
83.04957	1.8
83.08585	1.7
84.08110	1.5
85.02907	3.2
86.09705	24.4
87.04465	4.1
89.06002	1.4
91.05481	3.5
91.06451	0.5
93.07035	6.1
95.04944	1.5
95.08599	3.9
97.06500	1.1
98.22520	0.8
98.98430	2.0
100.61966	0.6
102.05529	1.2
104.10733	2.0
105.07001	2.4
107.04889	1.1
107.08603	3.7
109.06472	0.7
109.10137	1.2
113.05975	1.2
117.06976	1.1
119.08545	2.1
121.06444	0.7
121.10145	2.1
123.08031	0.7
124.99998	17.2
128.04419	0.6
130.08589	0.8
131.07011	1.5
133.10165	0.8
135.11642	1.2
144.09105	0.9
144.10188	15.6
145.10158	2.1
147.04367	0.7
162.11261	6.1
163.11140	1.9
184.07336	76.6
185.07689	1.6
200.12773	0.8
209.11682	0.7
218.13879	1.8
229.59755	0.6
235.64136	0.6
236.14915	93.4
237.15205	3.4
271.15393	0.5
280.25720	0.5
283.15518	1.1
283.56476	0.6
319.37463	0.7
382.26013	0.6
404.99030	0.6
426.24832	6.9
427.25293	0.8
444.25928	22.4
445.26566	2.0
478.35379	3.3
496.36279	5.2
507.36862	1.3
686.47083	1.3
704.47266	100.0
705.47742	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53208	0.8
55.01862	1.2
55.05512	3.4
57.03423	1.2
67.05495	4.7
69.03431	0.8
69.07078	0.8
69.80125	1.4
69.80520	1.7
77.92189	0.7
78.93985	0.7
79.05492	4.8
80.05045	0.8
81.03426	2.1
81.07046	4.5
83.01337	0.8
83.04995	2.0
83.08630	1.2
83.28432	0.7
85.02909	1.6
91.05468	5.6
93.07056	5.2
95.04999	1.6
95.08620	2.4
97.02898	1.8
97.06552	1.8
99.04536	0.8
105.07046	2.4
107.04980	2.4
107.08607	2.0
109.06478	0.9
109.10165	1.4
117.07030	1.9
119.08619	1.9
121.06475	1.0
121.10173	1.1
123.08134	0.8
125.05965	1.0
125.09613	1.3
130.06531	2.0
131.04982	1.1
131.08601	1.6
133.10139	1.4
135.11720	2.2
138.05475	1.4
145.10136	2.1
146.06042	1.8
163.11208	2.0
170.02859	0.7
188.07088	3.9
191.10725	1.1
209.11827	0.9
227.12691	0.9
229.14319	1.2
248.79297	0.8
255.15912	0.9
267.11301	4.6
283.15344	9.0
283.17960	0.9
296.18204	0.7
357.34726	0.7
400.15259	0.9
457.18875	2.1
469.14694	1.6
470.16199	1.3
471.16629	1.1
479.13043	1.0
482.16077	2.0
483.16968	1.9
484.13300	3.7
491.26483	3.3
497.14499	3.9
497.18625	3.2
498.15067	4.7
511.15945	7.6
512.16779	12.5
513.17566	9.9
514.18066	1.7
515.19226	1.0
523.15796	4.7
524.16815	1.0
525.17719	6.8
526.18414	10.9
527.19055	3.7
529.17401	1.2
539.19434	1.2
544.20197	0.9
555.18915	2.8
556.19629	2.0
587.21283	1.1
599.21606	4.5
600.22211	6.6
601.22296	1.5
613.23029	3.6
614.23480	1.8
631.24109	3.2
673.25043	3.2
674.25543	2.1
687.26184	1.2
705.27588	100.0
706.27832	21.0
709.25153	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.4
55.05511	3.0
57.03448	1.9
57.32794	0.5
57.78582	0.5
59.04963	0.5
66.50724	0.5
67.05503	3.3
69.03413	0.5
69.07074	1.2
71.04996	1.0
75.10556	0.6
76.13280	0.5
79.05490	4.6
81.03419	2.1
81.07047	4.4
83.01357	0.8
83.04992	1.8
83.08636	1.5
85.02903	0.9
91.05470	3.4
93.07046	4.1
95.04972	1.4
95.08608	1.6
97.02907	1.2
97.06536	1.3
97.10172	0.7
105.07041	1.8
107.04964	1.8
107.08589	2.8
109.02895	0.9
109.06557	1.3
109.10172	1.9
111.04421	0.7
117.07030	2.4
119.08611	1.8
121.06566	0.7
121.10146	1.0
123.08080	0.6
123.11628	0.7
125.09592	0.8
129.07112	0.7
131.08600	1.3
133.10210	1.2
135.08096	0.6
135.11722	1.7
136.12027	0.5
137.46498	0.4
138.05554	0.7
145.10132	1.7
146.06097	0.8
147.11757	0.5
149.09650	0.6
163.11209	1.7
179.10530	0.5
184.07364	0.5
186.00868	0.6
191.10751	0.9
209.11790	1.3
227.12784	0.9
229.14372	0.9
267.11377	2.1
271.93451	0.5
283.15396	9.1
284.15933	0.7
364.08441	0.6
400.16360	0.7
413.15854	0.6
442.16043	0.7
455.17688	0.7
457.18884	1.3
459.27307	0.7
469.14484	0.9
477.28076	0.8
482.15912	0.9
483.16537	2.4
484.13223	4.4
485.14664	1.6
491.26108	2.6
496.17245	1.1
497.14453	5.2
497.18481	3.9
498.14575	4.4
499.16098	1.7
507.16675	0.8
509.14774	1.0
509.27252	1.9
510.18958	0.8
511.15771	7.8
512.16742	13.0
513.17584	12.9
514.17987	2.0
523.15698	4.9
524.16754	1.5
525.17493	6.4
526.18445	10.8
527.18909	4.1
528.20251	0.6
530.17694	0.8
537.18701	0.6
539.19409	1.8
541.21320	0.5
555.18964	2.1
556.19397	2.7
557.19897	0.7
572.19177	1.1
588.23242	0.5
599.21295	4.9
600.22095	8.3
601.22528	2.0
611.21191	0.9
612.21686	0.7
613.22681	4.1
614.23822	1.1
615.24481	0.9
631.24011	2.5
673.24969	3.0
674.25830	3.3
675.26508	1.2
687.26648	1.6
705.27588	100.0
706.27899	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43872	0.5
53.03937	1.7
55.01876	5.4
55.05275	0.8
55.05512	9.9
57.03442	9.7
57.07059	0.7
59.04994	1.0
61.02914	2.0
65.03928	1.1
67.05505	13.4
69.03420	1.9
69.07076	4.3
71.04994	2.5
73.02917	1.0
73.66237	0.5
76.03505	0.5
79.05496	16.0
81.03417	6.9
81.07058	12.8
83.01343	5.2
83.04981	10.2
83.08614	5.6
85.02911	4.1
85.06530	1.3
91.03959	0.9
91.05481	11.9
92.05786	0.5
93.07047	17.7
95.04972	6.1
95.08606	6.9
97.02911	4.0
97.06525	4.6
97.10175	1.5
99.04443	2.5
103.05487	0.5
105.07031	6.0
107.04278	0.7
107.04963	7.8
107.08598	9.4
109.02874	0.7
109.06516	4.7
109.10175	2.5
111.04424	6.1
111.08082	1.9
117.07023	7.4
119.08577	6.6
121.06490	2.5
121.10136	6.0
123.04446	0.7
123.08070	5.1
125.05968	1.4
125.09579	1.2
127.03921	0.8
129.07002	1.7
130.07765	1.0
131.08575	3.2
133.10109	2.5
135.08067	2.6
135.11693	8.4
137.09601	1.6
143.08534	1.3
145.06519	1.2
145.10118	13.0
146.10527	0.6
147.08041	2.0
149.06017	0.6
149.09630	2.6
153.12724	1.6
155.08575	0.8
163.11182	16.5
164.11646	0.7
165.09039	0.5
173.09616	3.4
181.12204	2.3
187.52956	0.6
191.10629	4.9
209.09769	0.5
209.11713	14.8
210.12038	0.5
227.12791	6.4
229.14267	0.6
255.12263	0.7
265.14294	1.1
283.15402	100.0
284.15704	6.8
301.16434	1.1
382.63550	0.5
409.22034	0.7
473.25256	1.9
491.26395	51.5
492.26703	7.1
509.27402	2.5
651.54224	0.6
674.25366	2.5
706.27533	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	706.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.2
55.75813	0.1
56.05042	0.8
57.03436	0.2
57.07066	0.2
58.06580	1.3
58.06836	0.1
59.06918	0.1
59.07393	0.3
60.08165	6.6
61.08478	0.1
67.05515	0.5
69.07069	0.2
69.44505	0.3
69.44914	0.3
70.06582	0.1
71.07375	3.9
71.08635	0.1
72.07735	0.1
74.75044	0.1
79.05495	0.5
80.97446	0.1
81.03406	0.3
81.07068	0.5
83.04953	0.1
83.08613	0.2
83.41969	0.1
85.02889	0.2
86.09706	32.0
87.04454	0.6
87.10034	0.8
91.05462	0.3
93.07047	0.3
95.04934	0.1
95.08601	0.3
97.06558	0.1
97.10176	0.1
98.23322	0.2
98.98467	3.9
100.67970	0.1
104.10742	2.3
105.07079	0.2
107.08586	0.1
107.61825	0.1
116.99483	0.1
119.08578	0.2
123.10813	0.1
125.00005	22.8
126.00350	0.2
133.10139	0.1
135.11565	0.1
143.01033	0.3
144.10194	0.3
145.10335	0.1
162.11284	0.1
184.07343	100.0
185.07703	2.6
186.07790	0.2
236.14912	1.3
237.15240	0.4
238.15413	0.1
285.52658	0.1
311.25980	0.2
405.80719	0.1
444.25937	0.3
465.35840	0.1
496.33972	0.1
688.46008	0.1
706.47034	6.0
707.48035	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58749	0.8
55.01871	2.9
55.05508	2.6
57.03434	11.1
57.07082	4.0
58.06601	17.5
58.65102	0.8
59.07378	4.4
60.08164	8.2
61.08516	0.9
67.05502	6.0
69.07076	3.1
69.28210	0.7
71.07365	2.0
71.08626	2.0
72.63827	0.7
75.04497	1.0
79.05499	5.0
81.03397	2.0
81.07043	4.1
83.04997	1.5
83.08633	2.0
85.02918	6.0
85.10191	1.6
85.88119	0.8
86.09707	19.2
87.04475	6.3
87.10053	3.4
90.93008	0.9
91.05504	3.5
93.07072	3.2
95.04945	2.0
95.08599	4.0
97.06509	1.4
97.10214	1.7
98.22578	1.7
98.98471	3.1
104.10759	1.4
105.07050	3.0
107.04970	1.3
107.08608	1.3
109.10212	1.6
113.06011	11.5
119.08591	2.2
121.10172	1.8
125.00014	12.6
133.10156	2.8
141.10414	1.0
144.10229	6.2
162.11287	1.9
184.07341	52.7
185.07742	9.3
186.07806	5.6
236.14920	38.2
236.17303	1.3
237.15263	2.1
251.12656	3.1
251.62665	0.9
271.15460	1.4
310.25171	0.8
313.27472	3.0
363.17761	8.6
391.28232	3.3
426.24988	2.3
444.26093	4.5
480.37054	1.7
498.37885	4.2
502.36096	1.2
505.54385	1.1
509.38379	3.1
535.36456	2.4
603.42413	14.3
604.43073	1.7
619.41803	100.0
620.42126	17.0
647.41028	6.7
662.49915	0.9
688.30859	2.1
706.48657	94.0
707.36829	2.0
707.49207	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	706.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.4
55.01842	1.3
55.05511	3.0
55.87257	0.3
57.03436	5.5
57.07070	1.8
58.06599	34.2
58.07013	1.0
59.04953	0.3
59.06902	0.5
59.07380	9.5
60.08164	9.6
60.18312	0.3
61.08444	0.3
63.70685	0.3
67.05505	6.0
69.07065	2.6
71.04946	0.5
71.07328	0.4
71.08591	0.8
73.02906	0.6
75.04471	2.4
79.05492	3.7
81.03429	1.6
81.07060	6.4
83.01318	0.8
83.04948	1.2
83.08614	2.3
84.08105	1.1
85.02909	2.3
85.10164	0.3
86.09666	1.2
87.04469	5.7
91.05466	2.7
93.07037	2.9
94.81480	0.5
94.82024	0.4
95.04925	0.8
95.08605	4.1
97.02853	0.3
97.06496	0.8
97.10134	0.9
98.98427	1.3
99.04387	0.3
100.11217	0.5
102.05505	1.1
103.03915	0.5
105.04493	0.3
105.05476	0.7
105.07039	2.4
107.04920	1.2
107.08598	1.7
109.06467	0.7
109.10184	1.6
111.04410	0.6
113.05991	1.9
116.10706	0.3
117.06997	0.5
119.08588	1.5
121.06519	0.4
121.10113	1.1
123.08041	0.9
123.11726	0.4
124.99997	0.6
130.08649	0.7
131.07048	1.6
131.08556	0.8
133.10121	0.6
135.11665	1.0
137.13203	0.3
144.10191	14.8
145.10141	0.8
147.11620	0.6
149.53070	0.3
162.11252	5.2
163.11189	1.3
184.07314	2.3
185.07738	0.5
200.12762	0.4
209.11674	0.3
218.13838	1.0
222.68732	0.3
236.14914	89.0
237.15256	3.7
251.12514	0.3
265.14215	0.5
266.14682	0.4
275.51285	0.3
291.76190	0.3
304.41931	0.3
311.26016	0.5
312.26514	0.4
313.27271	0.4
339.63739	0.3
393.29990	0.3
399.80624	0.3
400.26517	0.3
426.24799	3.9
436.37704	0.4
444.25967	8.2
445.26352	0.8
480.36823	3.3
481.37131	0.7
498.37912	12.6
499.38324	1.4
502.36255	2.0
534.38586	0.9
577.52277	0.4
603.42737	0.4
618.40381	0.4
619.41467	4.5
688.47949	1.7
689.48029	0.5
706.48846	100.0
707.49213	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97128	0.3
55.45353	0.3
56.96547	0.4
69.03431	0.4
70.74159	0.5
75.83455	0.3
77.00871	0.3
82.99875	1.2
85.02874	0.4
94.99843	0.6
97.02859	0.4
98.97563	0.3
101.00271	0.4
101.00880	5.4
109.02866	0.7
113.00855	1.1
119.01928	10.0
120.02020	0.3
122.01345	0.5
127.02411	1.6
131.01006	0.4
131.01915	4.7
132.70688	0.3
137.00937	0.3
137.01888	1.2
137.02951	0.7
139.02367	0.7
143.01900	14.9
144.01994	0.8
145.03456	6.5
146.03568	0.5
147.01349	0.9
149.01900	0.6
149.02962	0.4
149.51959	0.3
152.02368	0.6
153.03917	0.5
155.01897	10.2
156.02017	0.6
157.03471	4.2
161.02965	15.6
162.03101	0.9
163.04578	0.5
164.02364	0.5
167.01904	6.8
168.02040	0.5
169.03546	2.1
170.03513	0.4
171.05057	2.3
171.77794	0.3
173.02971	16.0
173.53050	0.6
174.03040	1.0
175.04466	0.9
177.02470	0.3
179.01874	3.5
180.64108	0.3
181.03561	0.4
182.03450	0.3
183.04964	0.3
185.02963	33.2
186.03076	2.6
187.04536	3.4
191.03989	0.5
196.04587	0.4
197.01134	0.6
197.02957	13.3
198.03127	1.0
199.04506	0.7
203.03989	9.2
203.54109	0.6
204.04135	0.7
208.04620	0.4
209.02939	1.1
215.04012	7.6
216.04337	0.4
219.01740	0.3
221.03050	0.4
221.05051	1.0
224.04453	0.6
227.04007	8.1
228.04207	0.5
233.05072	0.4
233.75554	0.3
239.04086	0.9
245.05072	100.0
246.05264	7.3
254.05748	0.3
257.05063	5.5
258.05273	0.4
263.06131	14.5
264.06250	1.1
275.06131	11.5
276.06284	0.9
277.87436	0.3
284.06677	1.4
284.56693	0.7
286.07645	0.5
287.06210	0.7
293.07126	3.2
294.07315	0.3
299.06003	0.3
305.07178	9.4
306.07516	0.8
317.07187	0.4
335.08301	4.0
336.08365	0.3
337.84644	0.3
347.08310	0.9
365.09320	39.9
366.09546	3.9
383.10516	2.6
406.11993	0.6
425.11395	30.3
426.11612	3.7
432.73889	0.3
437.11499	2.5
445.03256	0.3
455.12445	1.5
485.13654	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32866	0.3
63.34401	0.3
68.98287	0.3
69.69364	0.3
69.85914	1.6
74.03771	0.3
80.35928	0.4
81.03428	0.4
81.26360	0.3
82.99894	1.1
83.70164	0.3
94.99884	0.5
97.02910	0.4
98.22748	0.5
101.00880	5.4
105.16973	0.3
109.02874	0.7
111.62063	0.4
112.89609	0.6
113.00900	1.2
119.01927	9.9
120.02016	0.6
123.43777	0.4
127.02402	1.6
129.00340	0.4
130.93163	0.3
131.01910	3.8
137.01894	0.9
137.02917	0.7
139.02446	0.7
143.01901	16.6
144.02017	1.1
145.03479	7.5
147.01393	0.5
149.02917	0.8
152.02391	0.6
153.03955	0.4
155.01894	10.6
156.02066	0.5
157.03485	3.6
161.02962	15.3
162.03078	0.9
163.04480	0.6
167.01907	8.4
167.03239	0.6
168.02032	0.6
169.03473	2.7
171.05019	2.1
173.02972	15.3
174.03156	0.8
175.04575	0.9
179.01884	2.9
181.03456	0.6
184.62132	0.3
185.02962	34.3
186.03130	2.3
187.04521	3.4
191.04053	0.7
197.02962	11.9
198.03154	0.6
199.04504	0.7
203.03961	8.3
203.05566	0.7
204.04227	0.6
209.02939	1.1
215.03995	8.6
216.04164	0.8
221.03110	0.4
221.05077	1.3
224.04562	0.8
227.04024	7.5
228.04166	0.5
233.04996	0.5
239.04111	0.6
245.05075	100.0
246.05292	7.8
257.05060	5.0
263.06125	14.3
264.06274	0.9
269.05090	0.4
275.06119	11.4
276.06351	1.2
284.06708	1.1
284.56821	0.6
293.07159	3.8
305.07199	10.9
306.07254	0.9
317.07233	0.5
335.08246	3.0
347.08160	1.1
365.09317	42.4
366.09564	4.1
383.10236	2.6
407.10284	0.9
425.11380	33.8
426.11673	3.6
437.11560	2.3
438.11130	0.5
455.12692	1.7
485.13504	0.5
506.54694	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
54.41876	0.4
55.01873	1.6
55.05511	3.4
57.03431	2.8
60.39666	0.4
61.02911	1.3
65.03949	0.7
67.05503	4.8
69.03416	2.0
69.07066	2.3
69.20780	0.8
69.21186	2.9
71.04997	11.4
75.04448	0.4
79.05498	4.8
80.05009	0.5
80.05820	0.5
81.03423	4.1
81.07054	4.2
82.07394	0.4
83.01331	0.5
83.04970	2.6
83.08626	1.8
85.02903	15.9
85.06548	0.6
87.04459	0.6
91.04031	0.4
91.05478	4.9
92.02615	0.9
93.03406	1.5
93.07042	4.0
94.06553	1.2
94.07377	0.7
95.01305	0.5
95.04983	2.3
95.08611	1.5
97.02878	2.5
97.06545	3.8
97.10178	1.0
98.23380	0.9
98.89249	0.5
99.04460	0.9
103.05358	0.4
105.07023	2.2
107.04963	1.7
107.08569	2.5
108.08955	0.7
109.02856	0.8
109.06500	1.2
109.10155	0.9
111.04468	1.0
111.08090	0.7
114.09165	0.4
116.96481	0.4
117.07034	1.2
119.08572	1.9
121.02853	1.8
121.06510	1.2
121.10146	1.9
123.08084	0.7
125.09621	0.8
126.03171	0.8
127.03927	1.0
128.06216	0.6
129.05467	3.2
129.06989	1.4
131.08577	1.2
133.06458	0.8
133.10162	2.2
135.08086	1.0
135.11700	1.3
136.12151	0.4
137.02301	0.5
137.10779	0.5
138.05548	0.6
140.47519	0.4
145.04955	0.8
145.06519	0.4
145.10146	2.0
147.04395	0.6
149.09636	0.6
151.11188	0.5
153.01825	7.8
153.12778	0.5
157.10139	0.8
161.06021	0.5
161.09685	0.7
163.03925	0.5
163.11145	2.3
164.11536	0.4
165.01811	0.7
173.09619	0.8
179.03403	1.0
181.12221	0.7
183.04454	0.5
184.07364	0.7
185.05983	0.4
189.09067	0.5
191.10669	0.8
193.12260	1.1
200.04601	0.5
201.05450	0.6
203.03491	1.0
209.11705	1.2
211.13330	1.3
217.04938	4.1
227.12773	1.5
228.04216	1.4
229.04999	1.3
231.02782	0.5
245.04439	5.4
246.05232	2.3
247.05702	0.5
257.04510	1.0
260.03201	0.7
267.15924	1.6
273.03946	11.6
274.04758	5.4
275.05237	0.5
281.13962	0.5
283.15408	6.7
284.03372	0.6
284.15857	2.7
285.03894	1.5
285.10068	0.4
285.16989	0.9
287.05548	1.1
299.14957	0.8
300.15244	0.6
301.03387	2.6
301.16458	0.7
302.04193	36.1
303.04898	8.5
304.05429	0.7
315.04984	0.5
339.05139	1.0
355.15271	0.5
364.20013	0.5
381.09683	1.4
399.10739	100.0
400.11044	8.2
457.25867	0.5
473.25165	1.0
474.25449	1.3
475.26865	1.9
479.22986	0.5
491.26593	3.2
492.26663	4.8
493.27994	2.2
509.27502	2.1
510.27859	4.0
674.27734	0.5
675.25067	2.8
689.23212	0.8
707.27698	7.1
707.37567	0.7
708.27728	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.7
57.03427	0.9
61.02928	0.9
65.03970	0.7
67.05506	3.6
69.03415	1.0
69.07068	0.9
71.28886	0.7
79.05484	2.8
81.03402	1.7
81.07056	2.6
83.04962	1.0
83.08637	1.1
85.02876	0.9
91.03979	0.7
91.05494	2.2
93.07063	2.2
95.04953	1.3
95.08593	2.1
97.02919	0.7
97.06554	1.0
105.07039	1.9
107.04946	1.1
107.08618	1.6
117.07006	1.0
119.08559	1.0
121.10126	1.1
145.10127	1.4
168.89268	0.6
184.07361	1.6
184.45480	0.6
481.18469	1.6
492.26440	0.9
501.15497	0.9
707.30078	100.0
708.30487	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	707.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01873	1.5
55.05508	2.2
57.03426	1.9
57.33596	0.4
61.02931	4.4
62.11252	0.4
67.05506	4.5
69.03429	3.3
69.07070	1.2
69.50662	2.0
71.01344	0.4
71.05006	1.0
73.02927	4.2
79.05496	3.3
81.03419	3.6
81.07059	3.7
83.01343	0.8
83.05000	1.4
83.08654	1.1
85.02908	4.8
85.06507	0.5
85.72654	0.4
91.03969	2.6
91.05486	3.0
91.39536	0.5
93.07049	4.3
95.05000	2.5
95.08605	2.0
97.02892	4.8
97.06519	1.0
98.22686	0.8
99.04469	1.0
101.02375	1.9
105.06442	0.4
105.07018	2.0
106.63623	0.4
107.04956	0.9
107.08585	2.5
109.02898	0.7
109.06535	0.7
109.10168	1.7
115.03922	0.6
117.07029	1.3
119.08603	1.4
121.10166	1.1
123.08078	1.3
125.09628	0.7
127.03960	1.1
129.06989	0.7
131.08606	1.0
133.10112	0.8
135.11716	0.8
145.10164	1.4
147.11740	0.4
149.09682	0.4
157.10159	0.5
159.11685	0.5
163.11220	2.0
210.13463	0.4
223.13303	0.8
243.08377	2.1
249.11118	0.5
283.15472	1.4
284.15924	0.7
369.86844	0.5
467.18805	6.8
468.19305	0.7
481.20554	6.1
639.30054	1.7
642.10840	0.4
707.32483	100.0
708.32813	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	707.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15757	0.5
50.80933	0.4
53.03956	0.8
53.20720	0.5
55.05520	3.8
57.03442	2.4
57.07047	0.7
58.06603	1.2
60.08164	0.8
61.02930	6.0
61.65413	0.5
65.03944	1.3
67.05508	7.0
69.03432	4.1
69.07066	2.6
71.04981	0.8
73.02925	4.4
79.05500	5.5
81.03425	2.7
81.07060	6.3
83.04969	0.7
83.08649	1.1
85.02902	5.6
85.06573	0.6
86.09689	0.8
87.04496	0.7
89.26865	0.5
91.03472	0.5
91.03959	2.9
91.05479	4.1
92.23196	0.5
93.07055	4.4
95.04985	1.3
95.08604	5.3
96.09615	0.5
97.02895	4.7
97.06538	1.1
97.10188	2.2
98.13040	0.6
99.04462	0.8
101.02389	1.3
105.07028	3.1
107.08563	3.7
109.02892	1.0
109.10197	1.5
111.08128	0.5
117.07018	1.0
119.08601	1.3
121.10162	3.3
125.09653	1.6
127.03915	1.0
129.07030	0.8
131.08603	1.4
133.10161	1.7
135.08061	0.8
135.11740	1.7
145.10197	0.6
147.11729	1.0
149.09651	0.6
151.11162	0.8
163.07571	0.5
171.11797	0.6
173.13286	0.6
184.07365	4.4
189.11249	0.8
203.05536	0.7
211.09529	1.1
236.14955	1.7
242.26450	0.5
243.08484	1.7
255.84616	0.6
257.01559	0.5
311.25812	0.9
335.25967	0.7
355.15439	0.7
429.17325	3.4
492.35074	0.5
519.29297	7.9
520.29590	1.1
675.24170	0.6
707.39697	100.0
708.40125	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	707.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
53.45527	0.5
55.01882	0.8
55.05515	3.8
57.03428	2.8
57.07052	0.8
60.35118	0.6
61.02936	6.5
62.06013	0.5
67.05509	7.1
69.03432	3.9
69.07075	2.1
70.80923	0.5
71.04976	0.9
71.29585	0.7
73.02916	4.7
79.05494	6.4
81.03413	3.7
81.07053	7.2
82.07423	0.6
83.08626	2.1
85.02909	5.6
86.09721	1.4
91.03959	3.5
91.05495	4.8
93.07041	5.1
95.04985	1.6
95.08607	5.9
97.02886	5.6
97.06544	0.5
97.10192	3.0
99.04469	1.1
101.02386	1.8
103.03963	0.6
105.07040	2.7
107.04953	0.8
107.08602	3.9
109.02866	0.8
109.06544	0.7
109.10144	3.1
117.07045	1.3
119.08614	1.8
121.10143	2.5
123.08134	0.7
125.09628	2.6
127.03961	2.4
131.08595	1.6
133.10146	1.5
135.08064	0.8
135.11720	1.6
136.08394	0.6
141.07057	0.7
145.10193	1.5
147.11708	1.0
159.11792	0.7
163.04002	0.8
184.07341	2.8
185.04172	0.7
189.11336	0.8
191.44873	0.5
203.05339	0.6
211.09435	1.2
236.14970	1.4
237.15260	0.9
243.08583	1.5
335.25989	1.3
373.16275	0.5
429.17355	3.2
519.29370	8.3
520.29938	1.8
530.75415	0.7
560.28894	0.6
563.24347	0.6
633.37500	0.5
689.40942	0.7
704.34924	0.7
707.39709	100.0
708.27502	0.9
708.40051	17.7
708.51917	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.5
53.18451	1.2
55.01882	8.0
55.05512	19.6
56.38928	1.1
57.03437	13.0
57.07075	1.7
59.04995	1.6
59.10959	1.2
61.02925	5.2
62.74068	1.3
63.50075	1.2
65.03934	2.3
66.41689	1.3
67.05506	33.2
68.05840	1.2
69.03430	6.2
69.07067	8.9
69.43069	5.9
71.01376	1.5
71.05010	6.0
73.02913	1.9
79.05494	38.5
80.05826	2.0
81.03417	33.2
81.03864	2.4
81.07059	39.2
83.01353	6.3
83.04979	20.5
83.08615	18.4
85.02912	13.2
85.06551	2.6
86.19650	1.3
87.04460	2.0
91.03948	1.9
91.05482	42.5
92.05812	2.1
93.07040	33.8
94.07361	1.4
95.04967	29.6
95.08610	16.8
97.02886	7.7
97.06547	6.9
97.10167	3.3
99.04441	1.6
99.08105	1.4
105.04576	1.5
105.07029	23.3
107.04948	14.1
107.08604	18.1
109.02874	1.5
109.06539	9.0
109.10158	4.3
111.04454	9.1
111.08075	6.3
113.06035	3.6
115.05462	1.3
117.07021	11.7
119.08575	19.7
121.06514	4.1
121.10131	11.6
123.04421	2.4
123.08074	9.7
123.11734	1.8
125.05992	2.3
125.09625	1.6
127.03913	1.5
129.07016	8.1
131.08586	14.6
133.06471	2.9
133.10121	13.7
135.08076	6.4
135.11703	13.1
137.09587	2.9
142.07729	1.4
143.08559	1.7
145.06474	2.1
145.10123	13.0
146.10629	1.7
147.08054	3.3
147.11670	11.9
149.09570	5.8
151.11171	3.4
153.12764	1.8
155.08534	1.5
157.10110	7.9
163.11169	18.8
164.11514	2.8
165.12776	4.7
173.09708	4.0
175.11183	12.3
181.12228	3.4
191.10687	5.7
193.12238	24.2
209.11755	12.2
211.13312	28.4
212.13571	1.8
227.12727	7.1
249.14729	1.3
267.15918	49.8
268.16248	3.0
283.15405	63.6
284.15714	7.0
285.17001	31.8
286.17285	1.3
383.21927	3.6
457.25879	5.4
475.26910	29.1
476.27267	3.3
492.26657	2.5
493.27930	100.0
494.28186	9.2
511.28610	2.9
569.01056	1.3
637.31653	1.9
708.26605	3.5
709.30121	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	708.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.6
55.05511	9.5
57.03448	6.9
57.07075	4.3
58.06602	38.8
59.04993	1.2
59.07380	9.3
60.08164	10.4
67.05506	7.7
69.05863	8.7
69.07067	9.0
71.04971	1.5
71.08640	2.9
75.04483	2.2
75.68825	1.0
79.05499	6.5
81.03429	4.3
81.07041	9.9
83.04996	2.7
83.08611	6.7
85.02907	4.1
87.04475	3.5
91.05482	4.8
93.07050	7.5
95.04977	2.1
95.08617	5.3
95.51730	1.0
97.10175	4.3
98.25146	1.4
98.98472	2.4
101.17196	1.1
105.07034	3.4
107.04993	2.8
107.08605	4.2
109.06551	1.3
109.10145	2.5
113.06033	1.8
117.07057	2.6
119.08572	2.7
119.66985	1.2
121.06521	1.3
121.10135	1.6
123.08054	1.6
133.10127	1.3
135.11696	2.6
144.10175	16.0
145.10138	2.0
155.01021	1.3
162.11296	6.4
163.11237	3.4
184.07391	2.1
202.06174	1.1
218.14024	1.4
236.14923	90.7
237.15334	1.6
253.91016	1.1
257.61813	1.2
293.21283	1.2
300.22473	1.3
348.41995	1.3
426.25070	4.8
444.25916	10.4
482.38544	5.0
500.39392	8.6
504.37878	2.1
519.36841	18.6
520.37421	2.7
552.68951	1.3
599.45435	1.4
621.43146	3.7
690.49414	1.8
708.50403	100.0
709.50861	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	708.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.7
55.01859	1.1
55.05518	3.7
57.03441	5.9
58.06603	39.5
59.06903	0.7
59.07386	12.4
60.08168	9.2
63.75020	0.4
67.05511	3.3
69.07072	3.5
71.04967	0.7
72.08848	0.4
72.09314	0.4
73.02888	0.9
75.04495	2.3
79.05502	3.2
81.03368	1.4
81.07055	3.9
83.01343	0.9
83.04948	1.6
83.08619	2.7
84.08124	1.1
85.02904	2.5
85.03304	0.4
86.09666	0.6
87.04484	3.7
91.05457	1.8
93.07055	4.1
94.91408	0.6
95.08580	2.0
97.06493	0.9
97.10148	1.1
100.11182	0.5
102.05543	0.8
103.03930	0.5
105.05511	0.6
105.06998	0.8
107.08572	1.9
109.06502	0.5
109.25964	0.4
113.05974	1.6
117.06956	0.8
118.74014	0.5
119.08537	1.1
121.10133	1.5
123.07985	0.7
130.08641	0.8
131.07002	1.3
131.08521	0.7
135.11661	1.4
144.09096	0.8
144.10205	13.6
145.10222	0.9
162.11258	5.4
163.11151	2.0
197.66061	0.5
218.13902	1.1
236.14928	79.7
237.15239	3.3
372.67114	0.4
395.14069	0.4
407.14120	0.5
426.24829	6.9
427.24765	0.7
440.40427	0.5
444.19742	1.0
444.25922	20.3
445.26404	1.9
482.38516	2.3
482.79071	0.5
500.39471	4.8
501.39526	0.5
690.49640	1.7
708.50433	100.0
709.50842	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.5
55.05516	2.4
56.04988	0.6
57.03439	3.5
57.07054	0.7
57.57025	0.4
58.06603	26.3
59.07383	7.7
60.08168	6.9
67.05508	2.5
69.07070	3.2
73.02898	0.4
75.04453	1.5
79.05451	1.4
81.03394	0.8
81.07053	2.6
83.01328	0.6
83.04939	1.0
83.08622	2.7
84.08125	0.4
85.02869	1.4
87.04472	2.7
91.05446	0.8
93.07048	2.0
95.04952	0.5
95.08603	2.0
97.06488	0.6
97.10143	1.1
98.52759	0.5
100.11230	1.0
102.05529	0.7
105.05531	0.6
107.08588	1.2
109.10128	1.0
113.05978	1.1
121.10098	1.1
130.08614	0.7
131.07028	1.2
135.11684	1.1
137.45506	0.4
144.10208	14.5
145.10277	0.6
162.11287	5.4
163.11142	0.9
189.32019	0.4
200.12796	0.8
215.29024	0.5
218.14024	0.7
236.14932	86.0
237.15257	3.3
323.08679	0.5
426.24966	4.7
438.39377	1.0
444.25934	9.0
445.26251	1.0
482.38419	3.9
483.38306	0.5
500.39514	11.5
501.39749	1.4
519.36902	0.7
690.49042	1.9
708.50446	100.0
709.50781	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	709.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00191	0.9
66.02712	1.1
69.60855	5.4
74.95369	1.1
79.05479	1.2
81.07053	1.2
107.08552	1.5
116.88682	1.1
124.07529	1.2
141.13094	0.9
251.44119	1.2
255.09070	1.2
283.08832	1.4
483.16022	3.4
691.26862	1.4
709.28192	100.0
710.28595	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
55.05511	1.5
56.96557	0.7
60.51851	0.7
61.02919	0.8
67.05497	2.0
69.03436	1.5
69.07064	1.2
70.12083	0.6
70.25029	1.7
70.61691	0.6
71.04979	0.6
79.05481	2.4
81.03417	1.4
81.07056	2.6
83.04955	1.3
83.08563	0.7
85.02888	1.0
86.09707	0.7
91.05460	3.8
93.07035	2.4
95.04988	1.1
95.08610	1.2
97.02872	1.2
97.06539	1.5
105.07018	2.5
107.04920	0.7
107.08591	1.5
109.06507	0.7
109.10162	1.7
117.06987	1.2
117.81361	0.7
119.08562	1.1
121.10160	0.8
127.03924	0.9
131.08551	0.8
133.10159	1.4
145.10168	1.1
163.11172	1.0
173.04541	0.6
208.47588	0.7
237.57312	0.8
283.15320	1.9
284.15869	2.1
285.15994	1.5
355.15201	0.9
376.70471	0.7
406.04153	0.8
436.02170	0.6
483.16180	2.1
493.20309	0.7
493.27045	1.5
494.27393	1.0
709.27960	100.0
710.28259	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	710.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39165	2.3
53.03941	8.6
55.01868	16.3
55.05513	34.6
57.03436	36.4
59.04995	4.7
61.02922	10.0
65.03945	4.1
67.05505	63.9
69.03429	24.8
69.07073	17.1
71.01347	4.2
71.04983	11.1
73.02917	6.3
79.05494	91.5
81.03421	98.3
81.06583	4.8
81.07056	82.9
82.44437	2.3
83.01328	6.8
83.04985	37.7
83.08626	32.1
84.05275	2.4
85.02909	33.9
85.06522	7.2
87.04449	2.5
91.05479	100.0
92.05785	2.5
93.07047	66.3
95.04973	54.1
95.08613	45.8
97.02901	26.4
97.06534	27.1
97.10149	8.2
99.04440	6.2
99.08072	3.0
101.02384	3.3
103.05436	3.9
105.04492	4.6
105.07027	52.1
105.07683	4.6
106.07349	2.5
107.04954	27.0
107.08601	48.4
109.02855	7.5
109.06520	21.3
109.10139	12.4
111.04407	13.2
111.08072	17.1
113.06044	5.2
115.05450	6.5
117.07031	35.0
119.04903	3.4
119.08580	42.8
121.06512	17.0
121.10140	19.8
121.81212	2.6
123.04398	3.5
123.08068	21.0
123.11707	4.3
125.05981	4.4
125.09627	10.2
127.03909	6.8
127.07549	2.9
129.07016	14.5
131.08574	24.2
133.06448	7.5
133.10136	39.8
135.07085	4.1
135.08058	54.2
135.11670	17.4
137.05991	9.8
137.09610	7.0
139.07535	7.0
142.07777	5.8
145.04976	3.5
145.06439	3.6
145.10109	20.1
147.04446	3.4
147.08025	9.0
147.11691	21.8
149.09596	10.3
151.11166	4.3
153.09061	11.3
153.12814	5.0
155.08394	2.2
157.10114	18.1
159.08052	2.8
159.11562	2.6
161.09612	3.8
163.03908	3.6
163.07529	29.6
163.11188	26.3
165.09071	3.4
165.12762	5.7
173.04469	4.6
173.09569	3.7
175.11162	21.9
180.54030	2.5
181.08574	24.0
181.12212	4.9
189.11235	2.8
191.10750	5.3
193.12248	42.2
194.12492	2.8
197.89442	2.3
199.09656	16.5
209.11703	10.3
211.13286	47.2
213.11221	9.8
227.12839	11.6
237.11118	4.1
244.01118	2.4
255.12267	45.2
259.09674	4.2
267.15912	86.6
268.16229	6.4
271.15570	2.9
273.13272	22.4
274.13391	3.1
283.15405	68.2
283.18353	4.5
284.15591	6.9
285.16989	72.5
286.17346	4.2
287.14969	6.0
304.74075	2.4
311.15045	3.0
362.14066	2.4
367.22620	2.7
375.32019	2.7
385.23541	3.8
389.19763	2.4
409.22223	6.4
421.22147	4.9
445.21542	13.0
453.24310	2.8
459.27475	33.5
460.26837	3.6
463.23056	44.6
477.28555	47.5
478.28577	5.0
481.24213	27.0
482.24240	2.9
495.30298	38.9
496.29532	7.1
606.06512	2.8
693.30377	5.1
710.26862	12.0
711.31903	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	710.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62396	6.7
55.05507	30.1
57.03434	21.0
57.07084	10.9
58.06602	36.2
65.03902	7.2
67.05509	83.8
69.03461	9.7
69.05137	70.6
69.07076	20.6
71.08614	8.0
79.05492	58.1
81.03428	19.5
81.07054	65.6
82.64809	7.3
83.04979	14.2
83.08626	14.0
86.09695	10.6
91.05482	100.0
93.07058	43.3
95.04955	10.0
95.08599	58.3
97.06516	9.4
98.98491	7.4
105.07021	46.8
107.04977	16.0
107.08600	19.3
109.10182	22.7
117.07030	25.4
119.08583	34.3
121.10177	23.3
129.07100	10.1
131.08578	11.1
133.10115	44.2
135.11679	18.9
143.08572	13.2
144.10211	15.2
145.10182	9.1
161.09618	12.8
173.13419	7.3
179.10689	14.3
180.51678	7.9
184.07297	18.4
209.22740	7.5
236.14903	71.7
253.14320	95.4
255.54854	6.8
257.13904	20.0
313.27231	13.1
335.25800	45.6
396.53772	7.0
466.35443	8.9
495.36487	11.8
513.35864	77.8
514.36206	9.4
710.50165	50.2
711.43585	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	710.447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87481	1.6
53.03936	7.4
55.01869	3.0
55.05508	20.0
57.07072	2.9
58.06596	8.2
59.07385	2.6
62.99078	2.3
64.93863	1.9
65.03921	2.3
67.05505	47.8
69.07063	12.5
69.28110	2.0
71.08617	2.4
71.29361	1.8
72.13953	1.8
73.81841	1.7
79.05491	62.3
80.05835	2.7
81.03405	5.9
81.07055	46.9
83.04991	9.8
83.08614	8.4
85.02928	2.2
85.06530	5.4
86.09686	5.3
87.04478	2.8
91.05479	43.7
93.07043	61.9
94.07418	2.5
95.04976	12.8
95.08598	28.1
97.06534	5.2
97.10152	4.5
99.08088	2.3
105.07029	26.9
107.04942	4.8
107.08586	15.0
109.06498	2.4
109.10155	11.2
117.07005	9.1
119.08570	18.1
121.10127	15.5
123.08108	2.7
123.11767	2.2
125.09624	2.6
129.07007	12.4
131.08525	8.8
133.10146	11.1
135.11684	6.8
143.08554	6.5
144.10205	5.0
145.10135	8.4
147.11676	18.6
149.13235	4.2
159.11710	3.7
161.09523	2.4
161.13229	6.5
163.11176	2.3
171.11702	13.2
173.13318	4.0
184.07338	10.5
189.12755	3.8
207.13820	11.5
208.82671	1.9
209.11685	2.3
215.18001	5.9
230.88496	2.1
233.19119	4.6
236.14940	21.0
253.14349	4.6
281.17468	37.8
282.17856	2.2
289.21704	2.4
307.22681	48.6
308.23059	3.5
489.22104	2.2
513.35736	100.0
514.36182	18.5
538.37750	2.2
539.39001	1.9
586.62744	2.0
689.47955	2.4
692.48041	3.6
710.49695	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	710.5196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
55.05519	1.2
57.03444	4.0
57.07078	3.9
58.06604	27.7
59.07384	8.9
60.08167	6.6
67.05502	1.9
67.42206	0.5
69.07078	0.9
69.80747	1.2
69.81138	0.9
71.08630	2.4
73.02937	0.5
75.04467	2.2
78.53058	0.5
81.07073	1.0
83.01363	0.7
83.04993	0.6
83.08623	1.1
84.08160	0.7
84.10019	0.5
85.02920	1.4
85.10213	0.8
87.04488	2.0
90.05804	0.5
91.05516	0.7
93.07074	1.3
95.08636	1.9
105.05500	0.9
113.06012	1.0
121.10163	0.5
131.07059	1.2
144.10196	7.9
144.11200	0.7
162.11250	3.7
163.11229	0.6
218.13884	1.7
236.14931	55.3
237.15343	2.2
250.96857	0.5
397.33047	0.6
426.24731	2.5
440.40814	0.6
444.20062	0.4
444.25916	6.7
484.39865	4.0
486.41895	0.5
492.59286	0.5
502.41003	10.5
503.41504	1.5
692.50714	1.8
710.51996	100.0
711.52325	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58400	0.6
51.19725	0.6
52.72493	0.6
52.94091	0.5
53.03919	1.0
53.50716	0.5
54.89188	0.5
55.01847	1.0
55.05508	3.2
57.03434	5.9
57.07048	1.8
57.20091	0.5
58.06601	37.6
59.07379	10.7
60.08165	11.1
61.02898	0.8
64.44966	0.6
67.05511	6.7
69.03396	0.7
69.07063	5.0
69.09151	5.1
71.04961	0.7
71.08598	1.3
73.02885	0.8
75.04453	2.8
79.05087	0.6
79.05506	4.6
81.03378	1.6
81.07046	5.7
83.04939	1.3
83.08619	3.6
84.08104	1.4
85.02911	3.4
86.09726	3.5
87.04456	3.3
87.10021	1.0
88.86846	0.5
91.05505	3.4
93.07048	2.9
95.01237	0.8
95.04951	1.4
95.08604	4.6
97.06467	0.9
98.98431	0.6
102.05541	0.7
103.03917	0.9
104.10700	0.6
105.05489	1.0
105.06987	2.6
107.08560	2.4
109.10106	2.0
113.05966	1.6
119.08530	1.7
121.10088	1.4
124.99968	2.0
130.08577	0.7
131.07024	1.7
131.08514	0.7
133.10085	1.3
135.11647	1.1
136.78975	0.5
144.09123	1.0
144.10193	15.0
145.10435	0.9
147.11707	0.8
162.11292	4.6
184.07362	7.8
185.07693	1.4
186.07803	1.0
189.08958	0.6
200.58017	0.7
218.13914	1.3
236.14919	91.4
237.15248	5.8
384.27533	0.7
410.25879	0.9
421.54037	0.7
428.26419	4.6
446.27414	5.5
454.28134	1.1
474.37723	2.0
482.38260	5.0
500.39465	10.7
501.40460	1.4
678.49298	1.1
692.50909	15.2
693.51422	2.5
710.42889	4.1
710.51935	100.0
711.42896	1.7
711.52704	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
55.01841	1.2
55.05471	4.8
57.03440	6.6
57.07047	1.2
58.06601	45.8
59.04983	0.6
59.06908	1.0
59.07383	13.8
60.08163	13.4
64.89955	0.5
67.05507	7.3
69.07063	3.5
69.18857	5.0
71.04949	0.8
71.08598	1.1
71.87811	0.6
73.02902	0.7
75.04443	2.6
79.05505	5.6
81.03408	3.1
81.07056	5.6
83.04964	1.4
83.08576	2.6
84.08114	1.2
85.02907	7.1
86.09689	1.3
87.04472	4.3
91.05482	5.6
93.07024	4.1
94.91164	0.6
95.01283	0.8
95.04930	2.5
95.08608	4.9
97.06499	0.8
97.10159	1.1
102.05514	0.9
105.05476	1.0
105.07011	4.4
105.08099	0.7
107.08559	1.6
109.10120	1.4
111.04356	0.6
113.05938	2.0
117.06983	1.0
119.08533	1.8
121.10094	2.2
123.11732	0.7
129.06979	1.4
130.08633	1.3
131.07011	1.3
131.08501	1.6
133.10097	1.7
135.11670	0.7
144.09119	1.2
144.10190	17.6
145.10324	0.7
147.11581	0.7
157.10190	1.1
162.11261	6.2
169.49165	0.6
175.11044	0.8
184.07310	2.4
187.82841	0.6
218.13956	1.2
223.46123	0.6
226.04005	0.6
236.14919	100.0
237.15276	4.3
239.47414	0.7
335.26068	0.9
384.27731	0.7
410.25528	2.3
428.26385	11.3
429.26990	1.0
446.27490	16.8
447.27780	1.6
482.38449	2.2
500.39429	5.4
692.50842	12.7
693.51154	1.8
710.51965	99.0
711.52429	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	711.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21683	0.5
53.03957	0.6
55.01864	1.1
55.05509	1.3
57.03445	1.8
59.05000	0.5
61.02931	5.2
67.05507	2.5
69.03439	2.8
69.07077	0.8
71.01346	0.6
71.05033	1.0
73.02908	3.7
81.03407	2.8
81.07051	2.5
83.01378	0.5
83.04994	1.4
83.08633	0.8
85.02910	5.1
87.04478	0.6
87.89392	0.4
91.03947	3.3
91.05496	2.1
93.07057	3.8
95.04966	1.4
95.08627	1.2
97.02891	5.2
97.06567	0.9
99.04472	1.1
101.02370	2.1
105.07060	1.2
107.04971	1.3
107.08588	2.2
107.14808	0.4
109.02887	1.0
109.06555	1.1
109.10181	0.4
111.04449	1.7
115.03970	0.6
117.07025	1.7
119.08583	1.5
121.10113	0.8
123.08105	0.8
127.03938	1.9
131.08575	0.7
133.10139	0.6
135.11740	2.0
145.04965	0.5
145.10165	2.1
163.11208	4.4
169.06110	0.4
173.09644	0.9
185.04253	0.8
191.10635	0.7
202.59172	0.4
209.11795	1.3
219.22632	0.4
243.08502	1.6
247.04007	0.4
249.11049	1.1
267.12152	1.1
283.15472	1.7
305.13586	0.9
439.19385	0.7
467.18848	13.0
468.19485	1.2
485.19650	2.2
693.30780	13.8
694.31830	1.7
711.31598	100.0
712.31879	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	712.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.8
53.03944	5.1
55.01872	10.4
55.05516	24.5
57.03439	19.6
57.07078	2.8
59.04987	2.8
61.02923	10.9
65.03935	2.4
67.05508	55.2
68.05839	1.2
69.03426	3.3
69.07069	12.8
69.46449	4.9
69.46849	1.9
71.01361	2.1
71.04996	5.2
72.59729	1.1
73.02897	3.2
79.05493	67.1
80.05843	1.3
81.03416	12.6
81.07059	52.5
83.00887	1.6
83.01340	9.5
83.04987	13.0
83.08619	13.4
85.02911	10.0
85.06549	3.7
91.03952	2.6
91.05483	30.3
93.07047	69.6
94.07389	2.1
95.04971	9.4
95.08609	31.1
97.02895	6.8
97.06531	6.9
97.10172	5.0
99.04463	2.5
99.08105	3.6
105.04520	1.9
105.07033	25.0
107.04941	8.4
107.08596	33.4
109.06521	9.7
109.10160	13.8
110.10410	1.1
111.04478	1.5
111.08096	4.4
115.05509	1.9
117.07013	13.5
119.08588	15.9
121.06502	3.4
121.10144	32.4
123.08064	7.9
123.11718	5.6
125.05962	1.4
125.09618	2.5
129.07014	3.1
131.08569	14.5
133.10143	14.0
135.08087	2.1
135.11697	31.2
135.12701	2.3
137.09628	1.6
139.11185	1.6
143.08525	1.6
145.10130	18.8
147.08118	1.9
147.11703	8.2
149.09634	2.1
149.13264	10.4
153.12758	3.8
155.08565	2.9
157.10191	1.8
159.11726	8.9
161.13304	2.2
163.11176	25.2
173.09665	2.4
173.13275	6.3
175.70975	1.3
181.12230	4.1
187.14813	2.8
189.11249	1.7
191.10696	3.7
205.19568	3.1
209.11725	6.7
213.16365	2.3
215.17955	23.0
216.18204	1.7
227.12814	7.6
231.17426	1.9
233.18987	21.6
234.19383	1.1
249.18402	1.2
265.14465	1.4
271.20544	3.4
283.15405	100.0
284.15695	7.2
289.21613	3.4
305.21063	1.5
307.22668	88.2
308.23080	6.7
351.74930	1.1
405.27814	2.0
423.28723	3.0
497.32675	2.8
515.33673	58.1
516.33954	8.8
715.17706	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.1
54.38982	1.0
55.01873	14.5
55.05511	11.3
56.56703	1.0
57.03440	19.9
57.07078	2.1
61.02927	9.4
65.03941	4.3
66.86994	1.2
67.05505	56.5
68.05853	1.2
69.03423	3.7
69.06722	1.9
69.07066	15.9
69.66922	3.4
71.01418	1.0
71.04993	2.9
73.02931	2.1
79.05492	65.5
80.05824	1.3
81.03411	9.2
81.07059	46.0
82.07374	1.4
83.01340	9.1
83.04991	2.9
83.08637	5.4
85.02913	7.1
85.06558	2.1
86.09705	37.8
91.03974	2.7
91.05482	82.0
92.05824	2.0
93.03460	1.0
93.07040	52.9
94.07394	1.2
95.04953	4.9
95.08607	32.9
97.02892	5.4
97.06541	4.3
97.10170	1.5
98.09726	2.5
105.03413	1.2
105.07036	15.6
107.04972	7.6
107.08593	47.9
108.08881	1.5
109.06522	3.8
109.10159	16.1
111.04453	1.7
111.08068	1.4
115.05463	8.1
117.07018	58.9
118.07372	1.8
119.03489	1.6
119.08592	15.8
121.06554	1.9
121.10150	15.7
123.08077	2.2
123.11698	3.9
125.06030	1.3
125.09663	2.1
127.03935	1.3
128.10773	1.6
129.05554	1.0
129.06929	1.9
131.08549	9.0
133.10149	7.5
135.08051	62.8
135.11674	10.2
136.08383	2.1
137.09615	2.6
139.11188	1.7
143.06976	1.3
143.11800	2.9
145.06503	1.5
145.10104	6.9
147.11691	5.8
149.13255	6.4
153.09109	3.4
154.15904	2.6
159.11674	6.6
161.08180	1.2
161.13239	5.4
163.07536	9.4
163.14816	4.6
165.09146	1.8
173.13287	5.5
173.15451	1.1
175.14859	1.9
177.16441	1.2
181.08638	3.7
184.09726	1.3
185.13176	2.3
187.14871	4.0
189.16426	1.1
197.13219	1.5
199.09677	7.7
207.51692	1.0
209.13376	1.5
211.18091	5.6
223.10904	1.2
236.14915	1.3
239.12898	2.3
243.21150	6.6
255.12268	100.0
256.12622	4.8
259.20636	1.5
261.22131	18.1
262.22348	1.2
299.23798	1.7
317.24911	5.1
333.24240	2.9
335.25781	78.4
336.26086	7.0
405.27820	2.6
411.24875	2.6
418.09198	1.1
423.28879	2.8
424.28455	1.2
429.25760	1.4
441.29974	2.2
468.26941	3.5
486.27744	1.6
497.32541	3.5
515.33667	40.0
516.33978	4.6
524.33105	1.2
533.34674	2.5
536.33411	1.3
542.34766	1.6
553.35986	2.2
581.35223	5.0
599.35968	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.2
55.01880	5.3
55.05512	16.6
57.03440	17.3
57.07080	2.5
58.06593	1.1
59.04985	0.9
61.02921	2.3
65.03947	2.0
65.99592	0.8
67.05507	59.5
68.05842	1.6
69.03429	1.2
69.07073	15.9
71.01344	2.5
71.04991	3.6
79.05493	48.3
81.03414	4.6
81.07059	43.8
82.07376	1.0
82.84109	0.9
83.04990	12.2
83.08604	6.3
85.02904	4.5
85.06544	3.7
86.09689	1.3
91.05483	23.7
91.82805	0.9
93.07044	58.7
94.07364	1.7
95.04957	4.8
95.08611	27.4
96.08927	1.1
97.02901	1.3
97.06536	10.5
97.10167	7.5
98.22552	1.6
99.04503	1.0
99.08162	1.3
105.07032	10.7
107.04980	1.3
107.08601	31.4
108.08917	1.9
109.06520	1.6
109.10162	13.4
111.08091	2.6
115.05492	1.1
117.07012	6.9
119.08582	10.0
121.10152	19.7
123.03538	1.2
123.11713	3.2
125.09644	2.6
131.08563	6.4
133.10129	8.5
135.08076	1.5
135.11693	49.1
136.12080	1.4
137.09573	2.9
137.13307	1.1
143.08566	1.3
145.10127	13.1
147.11723	3.9
149.13268	4.2
151.11197	2.0
153.12747	5.6
159.11687	4.0
161.13249	3.7
163.11201	5.7
163.14815	1.9
173.13261	3.6
177.16399	1.7
181.12219	13.4
184.07353	1.3
185.13258	1.1
187.14926	1.0
194.08246	1.0
199.13264	2.5
213.33691	0.9
229.14343	1.4
229.54051	1.2
236.14952	4.4
243.21069	3.1
253.14439	2.4
255.15919	100.0
256.16394	5.8
261.22125	14.3
283.15668	1.0
317.24771	1.6
333.24207	1.1
335.25812	58.7
336.26016	5.9
369.65570	1.2
423.32471	2.1
436.12906	1.1
441.33594	1.5
515.37354	68.2
516.37708	7.6
533.38495	2.3
681.28394	2.0
712.50092	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	712.5353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	0.5
55.01847	0.7
55.05474	1.3
57.03438	4.7
57.07071	4.8
58.06601	34.7
58.06877	1.5
59.06908	0.7
59.07381	9.7
59.80640	0.3
60.08168	9.0
61.10297	0.3
67.05501	3.6
68.99353	3.4
69.07076	2.0
71.04971	0.5
71.08634	3.4
73.02897	0.7
73.05378	0.3
75.04480	2.5
79.05499	1.9
81.03397	1.0
81.07048	4.0
83.04966	0.8
83.08637	1.7
84.08114	1.2
85.02902	4.1
85.10177	2.0
86.09653	0.5
87.04467	3.2
91.05492	2.9
93.05482	0.4
93.07021	1.5
95.04934	1.0
95.08600	3.0
95.11106	0.5
97.06509	0.5
97.10163	0.8
98.22568	0.7
99.08102	0.4
100.11243	0.6
101.05959	0.4
102.05508	0.8
103.03939	0.4
105.05486	0.6
105.07003	1.6
107.08594	0.7
109.10122	1.4
113.06025	1.7
119.08541	1.0
121.10177	0.4
123.11694	0.4
130.08603	0.5
131.07010	1.4
133.10103	0.9
144.10202	17.5
147.11646	0.6
149.09555	0.4
149.37553	0.3
152.06824	0.4
157.09984	0.4
162.11261	6.0
175.11250	0.4
184.07315	0.7
218.13828	0.8
236.14920	100.0
237.15285	5.0
252.87383	0.4
341.30591	0.8
373.38727	0.3
373.43713	0.4
384.27371	0.6
397.33499	0.6
410.25491	1.0
413.54855	0.4
428.26434	5.4
440.41068	1.3
446.27475	5.6
484.39899	6.1
485.40472	0.7
502.41040	13.4
503.41431	1.5
541.35809	0.5
694.52466	8.6
695.52924	1.6
712.53534	89.3
713.53961	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	713.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07457	2.2
53.03951	3.6
55.01877	7.4
55.05514	16.4
56.70499	1.9
57.03443	9.5
61.02931	4.1
67.05509	35.7
67.05853	4.2
68.05834	5.3
69.03430	4.3
69.07071	8.6
69.20683	4.8
69.21082	9.5
71.05015	3.4
75.04485	8.3
79.05498	41.5
81.03422	8.1
81.07059	31.9
83.01321	2.4
83.04988	5.9
83.08617	8.5
85.02921	6.9
86.09709	6.5
91.05486	26.4
92.05814	4.2
93.07049	39.7
94.06605	3.4
94.07369	4.8
95.04989	5.0
95.08599	25.1
97.02927	2.5
97.06533	4.7
97.10168	2.6
99.04475	3.5
99.08108	2.3
105.07045	14.0
106.06579	2.9
107.05012	3.2
107.08607	17.6
108.04530	2.2
109.06545	4.0
109.10169	8.1
111.08116	3.4
117.07029	13.9
119.08606	11.2
120.08154	2.3
121.06523	3.9
121.10143	17.9
122.10467	2.4
123.08085	3.7
123.11688	2.9
127.03948	2.5
129.07004	3.2
131.08600	11.5
133.10143	10.4
134.06023	3.2
135.08058	5.2
135.11703	13.4
136.12038	3.1
145.10127	11.4
147.11729	6.4
149.13295	3.0
153.12769	2.6
163.11179	15.3
167.10657	2.2
173.13211	3.2
184.07417	4.1
187.55878	2.2
191.10776	2.7
209.11702	2.5
211.08604	2.3
215.17972	6.5
220.10010	2.2
221.10905	2.3
223.08846	3.1
225.10263	2.4
227.12762	9.1
233.19106	6.0
237.10260	4.0
239.08145	3.4
249.06924	2.7
249.10150	3.7
251.08051	2.6
251.11986	3.2
255.12357	3.8
283.15411	33.1
284.15771	11.3
307.22714	34.6
308.22906	12.7
309.12537	2.4
312.11334	4.1
325.12466	3.0
335.25909	4.3
339.10236	2.8
342.12546	2.7
354.96243	2.1
428.16870	2.6
431.18893	3.0
438.20456	6.8
444.15994	3.4
445.16794	6.1
447.17105	2.4
449.15720	2.7
459.18256	4.6
466.23828	3.5
471.14462	2.4
472.15561	3.7
475.17932	4.1
486.16736	3.8
487.17633	3.2
493.18347	2.7
500.14136	3.3
501.19086	6.2
505.18512	2.5
513.16589	2.8
514.16669	3.1
515.17041	3.7
515.33710	10.4
516.34088	17.2
517.35266	5.2
519.20337	4.4
529.18500	9.2
530.19000	3.0
542.15741	2.7
547.19019	6.1
561.21545	5.0
589.20837	11.9
593.23053	2.7
594.24475	15.6
595.23846	2.8
603.21875	3.2
621.23236	12.9
631.21912	24.9
632.21838	3.1
639.24396	75.9
640.24847	12.4
645.23828	2.9
649.22632	14.6
653.25720	8.6
663.24664	35.9
664.24390	5.4
681.25488	100.0
682.25983	19.0
713.27948	16.7
713.41022	5.4
714.28369	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	714.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87697	0.4
53.03949	2.6
55.01873	11.7
55.05511	12.7
56.05841	0.6
57.03160	0.7
57.03435	12.3
57.07064	0.8
59.04989	1.6
59.29773	0.4
61.02930	5.0
65.03926	1.1
67.05505	16.4
69.03420	2.2
69.07076	3.6
70.13531	1.6
71.01350	0.8
71.04992	3.6
73.02913	1.9
73.87974	0.5
79.05493	24.1
80.05850	0.6
81.03420	13.2
81.06583	0.9
81.07059	16.1
83.00892	0.9
83.01343	10.5
83.04981	12.2
83.08619	7.4
85.02903	7.6
85.06532	1.4
91.03943	1.9
91.05482	25.0
92.05824	0.6
93.07042	21.6
93.53608	0.6
94.07402	0.5
95.04972	10.1
95.08602	11.3
97.02891	5.2
97.06525	9.0
97.10139	1.2
99.04460	2.9
103.05470	2.3
105.07031	22.6
106.07344	0.7
107.04957	13.1
107.08595	11.2
109.02894	0.7
109.06524	8.7
109.10153	2.6
111.04450	3.1
111.08087	1.9
115.05450	2.4
116.06226	0.6
117.07014	8.5
119.04935	1.2
119.08582	18.9
121.06516	6.6
121.09306	0.7
121.10151	10.1
123.04385	0.6
123.08070	12.7
124.08456	0.5
125.05991	2.3
125.09612	1.3
127.03903	1.5
128.06238	1.8
129.05486	2.1
129.07002	9.8
130.07800	1.1
131.04898	1.2
131.08572	7.2
133.06494	13.3
133.10127	5.1
134.06799	0.8
135.04370	0.7
135.08055	4.2
135.11690	8.5
137.05962	2.0
137.06941	0.5
137.09613	3.8
139.07539	1.6
141.06975	1.9
142.07729	0.9
143.08549	6.3
145.05006	0.6
145.06456	1.4
145.10132	13.7
147.08060	2.7
147.11697	1.4
149.09622	3.0
151.07527	5.4
151.11211	0.7
153.06982	0.7
153.12732	2.4
155.08545	2.5
156.09309	0.7
157.06493	1.3
157.10126	4.0
161.09581	1.4
161.13284	1.2
163.11192	15.0
165.06941	0.8
166.07793	0.7
169.10214	0.8
171.08105	0.9
171.11702	8.7
172.12016	0.8
173.09647	5.8
175.11232	1.2
181.10146	1.4
181.12216	2.5
187.11201	1.7
189.12706	3.1
190.62514	0.5
191.10667	2.6
199.11169	5.1
207.13692	0.6
209.11719	5.8
217.12210	6.7
218.12633	0.6
227.12755	3.5
235.13316	2.5
283.15399	100.0
284.15698	6.2
309.16953	58.0
310.17239	4.5
499.26599	0.8
517.27972	56.1
518.28375	8.2
599.50537	0.8
632.35236	0.6
715.34009	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.4
55.01878	3.4
55.05513	24.0
57.03435	21.8
57.07082	1.4
61.02927	7.6
65.03947	4.8
67.05505	67.9
67.75748	1.1
69.03430	6.2
69.07066	14.1
69.39143	2.8
69.39544	3.0
71.05013	5.5
73.02916	2.2
76.38838	1.1
77.03944	1.1
79.05493	73.5
80.05838	2.5
81.02924	1.8
81.03418	57.4
81.07056	61.9
82.07390	1.3
83.04981	14.4
83.08619	22.7
83.09116	1.3
85.02904	27.7
85.06542	4.4
86.09727	1.4
91.03966	1.7
91.05477	50.6
92.05862	1.4
93.07043	70.4
94.07352	2.2
95.04967	25.9
95.08605	39.0
97.02896	4.6
97.06520	6.4
97.10181	6.4
99.04461	1.6
99.08101	3.1
102.29411	1.3
105.04517	2.4
105.07027	36.3
105.07745	1.8
107.04960	7.2
107.08598	22.2
109.06541	5.6
109.10155	14.4
111.04434	2.1
111.08081	10.2
113.06005	2.7
115.05482	1.9
117.07018	8.3
119.08578	25.6
119.09344	1.9
121.06516	2.2
121.10143	34.3
121.67390	1.1
122.10519	1.2
123.08076	3.2
123.11681	5.7
125.09658	2.1
127.07544	1.3
128.06253	1.6
129.07010	11.3
131.08562	21.7
133.06447	2.3
133.10132	20.2
135.08037	1.8
135.11687	15.4
135.13776	1.0
137.09660	4.4
142.07849	2.1
143.08507	1.9
145.10126	10.5
147.08112	2.3
147.11688	15.8
149.09621	5.3
149.13280	8.8
151.11218	1.8
155.08418	1.0
157.10139	11.5
159.11652	8.0
161.13326	1.6
163.11203	2.2
165.12796	2.5
173.13272	5.0
175.11188	10.2
184.07376	1.9
193.12236	38.9
194.12619	2.4
205.19545	2.1
211.13289	58.7
212.13644	3.1
215.17921	12.6
216.18465	1.5
227.12756	1.3
230.11571	1.1
233.19016	11.0
248.92764	1.0
249.14833	1.3
267.15903	16.6
285.16959	66.8
286.17450	5.0
289.21661	1.0
307.22662	98.5
308.22900	7.8
407.29291	2.1
425.30542	2.2
463.68594	1.2
499.34131	10.9
500.34406	2.4
517.35229	100.0
518.35541	17.3
601.20630	3.4
633.22791	1.6
651.23657	1.6
733.65796	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65431	0.6
53.03941	2.2
55.01876	4.7
55.05243	0.8
55.05511	14.1
56.05849	0.7
57.03439	9.1
57.07076	3.3
58.06605	0.7
59.04994	2.0
61.02929	3.5
64.90783	0.6
65.03938	1.2
67.05508	25.0
68.05838	0.7
69.03423	1.1
69.06786	2.5
69.07082	5.8
71.04976	1.9
71.08625	1.6
73.02917	1.0
73.62630	0.6
75.95853	0.6
79.05495	16.9
81.03416	5.8
81.07056	31.4
82.07388	1.1
83.01344	5.0
83.04977	6.7
83.08620	11.5
85.02914	4.2
85.06531	1.5
91.03959	1.5
91.05484	12.4
93.07042	18.4
94.07405	0.7
95.04984	3.2
95.08605	16.3
96.08937	0.9
97.02888	2.7
97.06521	3.9
97.10162	2.5
99.04424	1.2
99.08076	1.5
105.07031	9.1
107.04970	4.1
107.08595	9.0
109.06538	3.2
109.07138	0.7
109.10158	7.2
111.04491	1.0
111.08102	1.4
111.11709	0.7
111.29472	0.6
113.09643	0.7
117.07022	3.4
119.08581	6.5
121.06506	1.9
121.10133	7.5
123.08080	5.5
123.11708	3.2
125.05988	1.1
125.09628	2.0
130.07771	0.7
131.08574	2.0
132.05736	0.6
133.10181	3.8
135.08026	1.1
135.11699	8.3
137.09634	1.3
137.13266	2.1
143.08601	0.8
145.04977	0.8
145.06435	0.8
145.10133	7.8
146.06967	0.6
147.07950	1.1
147.11674	2.9
149.13266	1.0
151.11162	0.8
151.14862	0.7
153.05334	0.5
153.12738	1.9
155.08554	1.0
161.13242	1.8
163.11180	13.6
173.09645	2.3
175.14917	0.8
181.12215	1.8
181.18419	0.6
191.10657	1.7
209.11722	5.8
217.19551	4.9
227.12796	3.8
235.20523	5.0
236.14952	0.7
283.15399	100.0
284.15778	5.8
309.24225	53.9
310.24411	3.5
389.05530	0.7
443.31476	1.1
499.34015	1.7
517.35236	29.8
518.35541	3.5
535.36127	0.9
595.24817	2.4
673.51007	0.9
714.47675	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.7
53.03944	4.3
55.01879	6.1
55.05275	1.6
55.05515	19.9
57.03441	23.5
57.07070	3.7
58.06602	2.4
59.96719	1.0
61.02930	6.0
61.79716	1.0
65.03940	3.9
67.05510	80.1
68.05836	2.5
69.03426	3.9
69.07073	17.6
70.06591	1.4
71.04989	6.5
71.08640	1.5
73.02921	2.0
73.06573	1.0
77.03924	1.3
79.05497	53.6
80.05823	2.7
81.03424	55.8
81.07063	65.0
82.03715	0.9
82.07404	1.4
82.66711	0.9
83.04990	7.0
83.08627	11.0
85.02437	1.4
85.02910	20.7
85.06547	2.6
88.07633	1.8
91.03957	2.9
91.05485	100.0
92.05812	3.4
93.07049	71.8
94.07368	2.4
95.04984	9.9
95.08611	61.4
96.08894	1.1
97.02899	4.6
97.06531	4.9
97.10149	3.8
99.04415	1.2
99.08092	2.3
103.05472	1.9
105.04532	1.8
105.07038	23.9
106.07335	2.1
107.04953	4.6
107.08598	23.7
108.08926	1.6
109.06568	4.8
109.10159	31.5
110.10476	1.3
111.04451	1.0
111.08069	3.5
117.07032	11.8
119.08588	94.0
120.08929	3.5
121.06520	8.7
121.10145	22.9
122.10515	1.2
123.08082	4.2
123.11710	6.2
125.09667	1.3
127.03880	1.5
128.06195	1.3
129.07028	6.9
131.08566	12.6
132.08958	1.4
133.10141	14.0
135.08098	2.4
135.11681	14.5
137.09622	41.0
137.13277	1.6
138.09933	2.1
143.08632	1.6
144.10237	1.3
145.04973	1.3
145.10127	8.5
147.08052	9.7
147.11708	9.5
149.02356	4.2
149.09578	2.4
149.13272	7.0
151.11174	2.2
153.09042	1.2
155.08609	2.0
157.10147	3.5
159.11757	5.7
161.13254	3.7
163.11197	2.8
163.14807	3.4
165.09132	39.7
166.09543	1.4
169.10194	1.2
171.11705	2.0
173.09647	1.2
173.13271	6.4
175.11325	1.7
175.14842	2.0
177.16379	1.6
183.10197	15.7
183.11728	2.1
184.07396	2.2
185.13329	1.2
187.14822	3.6
191.12439	1.1
193.04970	4.2
193.12282	3.8
196.79897	1.3
197.13307	1.1
198.89014	1.1
201.11150	1.2
211.13200	2.2
215.17972	4.5
218.79318	1.0
233.19011	4.0
233.22607	1.2
236.14865	7.6
239.12717	14.7
243.21078	5.0
255.12129	1.3
257.13846	60.1
258.14163	3.9
258.32471	1.0
261.22156	13.8
267.15900	7.6
283.15485	3.5
285.17020	8.1
307.22748	16.5
308.23080	1.8
309.24075	1.7
312.32629	4.2
317.24680	2.8
335.25812	70.5
336.26202	5.8
385.09253	2.1
389.28271	1.2
397.26456	1.1
407.29263	2.1
425.30353	2.8
429.11627	2.0
499.34259	11.7
500.34543	2.5
517.35217	57.7
518.35608	8.9
535.35956	1.1
599.37299	1.1
599.50372	2.0
601.20593	3.1
617.88293	1.1
633.23523	1.5
651.24866	1.2
683.26654	1.5
714.40460	6.2
715.43427	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	714.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06228	0.6
53.03942	2.4
54.17448	0.6
55.01873	6.3
55.05513	20.9
57.03442	15.1
57.07080	4.3
57.42398	0.5
58.06603	4.8
59.04992	2.7
59.07369	1.5
60.08145	2.4
61.02930	5.6
62.36858	0.6
65.03927	1.4
66.88114	0.6
67.05506	33.2
69.03422	1.7
69.07072	15.9
69.58569	2.6
71.01347	1.1
71.04999	4.2
71.08636	1.1
73.02904	2.1
73.93985	0.6
79.05492	19.0
81.03424	9.8
81.07058	41.6
83.01349	8.0
83.04980	9.9
83.08621	17.6
85.02413	0.9
85.02903	8.2
85.06541	1.5
85.10183	0.9
86.09703	3.6
87.04466	1.0
91.03937	1.6
91.05484	16.3
93.07046	22.6
95.04977	5.7
95.08608	30.0
95.15630	0.6
96.08921	1.0
97.02904	4.0
97.06532	5.7
97.10181	6.8
98.98454	0.8
99.04458	1.7
99.08089	0.9
105.04561	0.9
105.07040	9.5
107.04959	5.4
107.08595	13.9
108.08897	0.7
109.02894	0.7
109.06517	5.4
109.10160	13.6
111.04455	2.5
111.08080	1.0
111.11684	1.0
113.05988	0.8
117.07026	8.4
119.08582	9.3
121.06496	2.4
121.10143	9.4
123.08075	6.5
123.11723	3.3
124.99997	2.2
125.05981	1.3
125.09599	0.8
127.03929	1.0
129.05475	1.6
129.07010	1.3
130.07774	0.8
131.08551	3.0
133.10121	3.1
135.08037	5.4
135.11694	9.7
137.09639	1.9
137.13351	1.0
144.10168	1.9
145.06488	0.8
145.10114	13.5
147.08092	1.6
147.11710	2.1
149.09566	1.3
149.13243	1.0
151.14806	0.6
153.12764	3.5
154.33125	0.7
155.08539	1.5
161.13213	1.4
163.11186	19.1
164.11560	1.0
166.72391	0.7
173.09587	3.6
181.12233	2.2
184.07361	9.7
191.10706	2.1
209.11748	6.8
217.19508	1.4
227.12735	5.5
229.14302	0.7
235.20644	1.8
236.14920	14.5
237.15276	1.1
241.14490	0.6
255.12273	7.5
273.71710	0.6
283.15399	100.0
284.15738	5.9
309.24237	54.6
310.24564	3.6
313.27277	2.1
335.25922	1.5
337.27313	5.2
353.15652	0.8
456.36752	1.2
474.37909	2.3
517.35156	50.0
518.35687	5.6
571.11127	0.6
599.50323	1.0
664.46759	0.7
682.48267	0.8
696.48328	0.8
714.51172	7.7
715.39838	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	714.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.8
55.05475	1.3
56.04984	0.4
57.03437	4.7
57.07080	4.4
58.06600	35.9
59.06915	0.7
59.07381	10.6
60.08163	9.3
64.32178	0.4
67.05504	2.4
69.07040	0.9
69.09174	3.0
71.08624	2.8
73.02906	0.8
75.04479	3.0
79.05447	1.4
81.03376	1.5
81.07067	2.6
83.04946	0.6
83.08566	1.3
84.08120	1.0
85.02883	2.6
85.06493	0.4
85.10140	1.3
85.50196	0.4
87.04007	0.4
87.04461	4.0
91.05452	1.0
93.05461	0.6
93.07039	1.9
95.04935	0.9
95.08610	1.8
95.20744	0.5
97.06499	1.1
98.22536	0.8
100.11196	0.8
102.05510	0.9
103.03945	0.5
105.05467	0.5
107.04930	0.6
107.08593	1.1
109.10114	1.3
111.04401	0.7
113.05969	1.6
113.70649	0.4
117.07018	0.6
119.08494	0.5
130.08597	1.0
131.06981	1.7
133.68622	0.4
144.10196	16.0
144.11324	1.0
145.10210	0.7
162.11247	4.7
163.11131	0.9
200.12804	0.6
218.13914	1.2
236.14915	100.0
237.15231	3.7
270.35590	0.4
281.71344	0.4
301.58224	0.4
313.27429	0.9
369.30261	0.6
412.37933	0.9
414.28085	0.4
426.24762	0.8
444.25961	1.9
456.36871	6.2
458.27426	2.9
474.37939	13.3
474.44666	0.9
475.37967	1.2
476.28381	3.9
564.98444	0.4
621.02545	0.5
655.60895	0.5
664.47882	1.4
682.48773	6.4
683.48962	1.0
696.50220	1.2
714.51440	73.1
715.51837	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	715.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	4.6
55.28982	2.3
65.03941	3.0
66.25797	2.0
66.49967	2.0
67.05510	11.2
69.07070	3.3
70.69017	3.3
70.69341	3.9
76.03149	2.6
79.05480	4.3
81.07053	9.4
86.09706	3.6
91.05482	6.3
93.07053	4.2
94.06574	6.1
95.08607	5.6
105.07005	5.0
107.08588	4.8
109.06428	2.6
109.10168	6.4
111.04496	2.4
118.06568	3.2
119.08608	2.6
123.22138	2.2
124.99987	2.7
133.10089	5.3
147.11659	2.5
183.09285	2.5
184.07399	8.6
197.10768	3.0
207.09050	3.0
208.09853	4.6
209.10718	6.0
211.08563	3.4
221.07249	2.5
221.10785	4.9
222.07835	7.3
223.08678	4.0
223.12354	10.5
224.09377	4.0
224.13034	3.2
225.10278	5.6
229.14212	2.5
233.10777	5.6
235.08556	4.2
235.12355	2.9
236.09378	4.4
237.10152	8.2
238.11041	3.8
239.11813	9.3
249.10207	10.2
250.11136	4.2
251.08110	5.6
251.11790	36.1
252.12347	3.5
261.10315	3.0
263.08191	4.8
264.09052	3.3
265.09818	6.7
266.10443	3.5
267.11145	5.5
277.09787	4.4
278.10626	3.3
279.08044	4.1
279.11285	40.7
280.11877	3.5
283.10785	2.8
291.07703	2.9
293.09241	2.6
311.10263	2.7
312.11182	4.0
316.10736	3.9
318.12427	16.2
318.15610	2.6
325.11783	8.4
346.11902	6.3
353.11719	2.7
374.15240	2.9
378.14465	11.3
390.14554	3.0
403.15067	3.0
405.16959	3.8
406.17859	2.7
418.13745	5.8
422.30676	2.3
433.16174	7.8
443.19046	3.6
450.16476	6.9
465.19043	24.3
469.16824	2.8
471.17969	4.1
485.19647	5.9
489.19608	4.2
499.17413	5.2
505.18558	2.4
513.19012	8.9
514.19342	3.9
515.16339	2.7
517.18872	4.8
518.19324	2.9
531.20447	14.8
541.18677	20.0
542.18970	3.5
557.22253	12.5
559.19666	6.9
563.22784	4.2
573.21191	6.0
575.20703	3.0
591.22174	6.7
600.50208	2.8
601.20874	81.2
602.21240	13.5
619.21393	6.5
623.24896	9.4
633.23279	36.0
634.23755	5.1
651.24475	88.3
652.25134	15.3
655.27295	4.8
665.25793	3.7
683.15350	4.9
683.27173	100.0
684.27661	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	715.316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01874	1.0
55.05513	2.9
57.03441	3.0
59.42157	0.7
61.02935	4.5
63.36814	0.6
67.05515	5.1
69.03428	6.1
69.07068	2.7
70.06618	0.8
71.01350	0.8
71.04992	1.4
71.12955	0.7
71.29891	0.7
73.02918	4.5
79.05494	7.4
80.50318	0.6
81.03416	7.6
81.07059	4.1
83.04966	3.4
83.08633	1.2
85.02908	6.8
85.06532	1.0
86.06057	1.2
87.04471	1.5
91.03963	3.1
91.05482	8.4
93.07044	5.2
95.04974	2.6
95.08622	2.7
96.04517	1.0
97.02897	7.2
97.06535	12.1
97.10174	1.0
98.06867	1.0
99.04459	2.1
101.02405	2.2
105.07046	2.6
107.04960	1.6
107.08611	2.5
109.02895	1.4
109.06502	1.1
109.10167	1.5
111.04445	3.6
111.08091	0.9
113.06030	0.6
115.03922	1.2
115.05520	0.7
117.06990	2.8
119.04955	1.7
119.08613	3.0
121.06504	1.6
121.10171	2.6
123.08098	1.2
124.07542	0.7
125.06006	0.8
125.09607	0.7
127.03926	2.7
129.07004	1.1
131.08572	2.0
133.10138	1.5
135.08043	4.9
135.11653	0.9
137.06020	0.8
137.09627	0.9
139.11115	0.6
143.08598	0.6
145.06482	0.9
145.10162	1.1
147.04405	8.2
147.08060	0.7
147.11734	0.7
149.09596	1.1
149.43413	0.7
161.06058	0.7
163.03999	1.3
163.07573	1.0
163.11203	1.4
165.09177	1.3
167.10657	0.7
182.08125	1.4
185.04155	0.8
187.07593	0.8
189.09186	1.0
191.07060	0.6
199.07576	1.4
200.09256	0.9
215.07085	0.8
217.08615	0.7
241.08685	1.3
241.12402	0.9
243.08342	3.7
255.12262	0.6
259.09787	2.1
281.13910	0.6
287.12860	1.8
291.13800	0.6
303.06909	0.8
312.13037	0.8
313.10733	1.6
313.14194	1.2
314.11127	1.4
321.63110	0.8
327.15710	0.7
329.13852	1.0
331.15393	2.1
337.14539	0.8
338.14471	0.6
355.15381	1.7
356.15942	0.9
362.49301	0.6
373.16553	1.1
423.16281	0.7
439.15591	5.6
443.18826	0.9
467.18832	2.3
469.20319	2.6
473.19952	2.3
483.17950	0.9
485.19995	2.0
517.21735	1.3
655.29211	1.4
665.27679	2.3
683.28656	9.6
697.30768	3.5
715.31720	100.0
716.32068	14.4
723.03943	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.1
56.96575	0.6
62.51699	0.5
67.05508	4.1
68.50349	0.5
69.07055	0.7
69.57388	2.6
79.05508	2.5
81.03401	1.0
81.07045	2.1
83.04980	0.7
90.61560	0.5
91.05498	2.0
93.07037	2.3
95.04960	1.3
95.08600	1.9
97.06529	0.5
98.97618	0.9
105.07045	1.7
107.08582	1.3
109.06506	1.0
109.10149	1.5
111.04442	0.5
116.98643	0.5
117.02595	0.5
117.07037	0.6
119.08591	1.5
121.10142	1.1
125.06036	0.7
131.00133	0.8
131.08549	0.9
133.10176	0.7
135.08072	0.8
143.08481	0.9
145.10201	0.6
149.01170	0.7
163.11201	0.8
166.08537	0.6
184.07324	0.8
191.49899	0.5
236.14888	0.7
249.10252	0.7
283.15329	0.6
291.19620	2.1
295.06854	0.5
321.04977	1.7
323.60812	0.5
518.31946	1.2
519.33539	0.9
531.20428	0.7
531.29199	1.0
541.18677	0.6
549.20361	0.5
557.21912	0.8
601.21039	4.3
633.23376	2.7
651.24335	4.2
683.26642	1.9
715.32935	100.0
716.33215	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	715.3294
Annotation	Glaberianthrone
Peak:m/z	Relative Intensity
55.42447	0.4
57.03436	0.4
67.05505	1.4
69.07046	0.5
69.85561	1.8
79.05496	0.9
81.07086	0.6
84.05560	0.4
86.09734	0.7
91.05515	0.8
93.07036	0.7
95.08614	0.6
98.97585	1.9
105.07027	0.6
107.08623	0.6
109.06512	0.5
109.10150	0.6
116.98660	0.9
121.10110	0.6
128.10846	0.6
128.98666	0.6
131.00191	0.8
146.99622	0.4
149.01225	1.0
158.99681	0.8
170.99664	0.7
177.00787	0.7
189.00690	1.0
211.08614	0.5
261.02863	0.5
263.68719	0.4
293.05417	1.3
321.04971	1.8
372.30618	0.5
455.11023	0.7
651.23743	0.6
715.32947	100.0
716.33295	11.9
737.73816	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65712	0.3
51.75819	0.3
53.03948	1.0
55.01876	0.7
55.05515	3.1
57.03442	2.5
57.07083	0.8
58.06610	2.4
59.04993	0.4
59.07383	0.8
60.08177	0.8
61.02928	5.6
66.73129	0.3
67.05506	6.6
69.03436	3.7
69.07076	2.4
71.01364	0.4
71.05005	0.9
71.08645	0.5
71.29430	0.5
73.02921	4.5
73.06529	0.4
79.05498	7.0
81.03407	2.7
81.07056	6.2
82.07391	0.5
83.01346	0.5
83.04989	1.1
83.08633	2.3
85.02908	6.7
85.06544	0.4
86.09236	0.3
86.09684	1.9
87.04490	0.7
88.75040	0.4
91.03967	3.3
91.05486	3.8
93.07045	7.4
94.07384	0.5
95.04993	1.3
95.08611	4.9
97.02896	4.9
97.06532	0.8
97.10199	0.6
99.04467	0.8
101.02405	1.6
105.07039	2.6
107.04960	0.6
107.08589	2.4
109.02882	1.0
109.06502	0.6
109.10185	1.5
111.08122	0.4
115.03922	0.6
117.07038	1.3
119.08580	2.2
121.10139	2.4
123.08079	0.4
123.11726	0.7
125.00044	1.4
125.09660	0.4
127.03957	1.5
129.06992	0.5
131.08620	1.2
133.10172	1.2
134.44035	0.3
135.08046	0.4
135.11713	1.2
143.08640	0.4
144.10217	0.8
145.10162	1.1
147.11726	1.1
152.05830	0.3
163.11201	0.5
171.11702	0.7
184.07335	4.4
185.07709	0.3
188.96150	0.3
236.14931	5.4
237.15456	0.3
243.08418	1.6
247.13092	1.4
255.12558	0.5
283.15421	2.8
284.15805	0.7
301.13028	0.3
309.24149	0.5
310.24789	0.4
311.25790	1.2
337.15057	0.4
338.27612	0.5
367.08411	0.4
378.18701	0.4
391.15457	0.4
405.17010	0.4
406.17798	0.7
407.18469	0.4
419.14944	0.6
434.17484	0.6
435.18417	0.5
437.19894	0.8
447.18420	0.5
461.20053	0.5
462.16699	2.2
463.17303	1.0
465.21155	3.7
466.21121	0.6
474.37735	0.9
489.19952	0.6
491.26154	8.8
491.32718	0.6
492.26590	1.0
494.19412	2.4
495.19876	0.7
518.35962	1.2
519.36743	1.9
521.21411	0.5
522.19006	0.6
548.20325	0.5
567.26453	0.4
591.22394	0.4
608.22723	3.5
609.22351	0.8
623.24890	5.3
624.25360	1.4
641.25964	0.7
651.24451	5.5
652.25000	1.7
655.27783	0.5
665.48279	0.8
669.25446	0.7
670.49042	0.5
683.27240	2.8
684.28003	0.5
698.48309	4.0
715.40204	100.0
716.40479	18.2
716.52594	0.6
718.58734	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.1
55.01867	11.9
55.05518	23.9
57.03446	21.4
59.04982	5.0
59.48309	4.1
61.02911	8.2
65.03963	4.6
67.05511	39.6
68.07878	4.6
69.03422	15.3
69.07067	15.8
71.05000	10.3
71.29461	7.5
72.82188	3.9
79.05494	49.4
80.05020	29.3
81.03425	57.0
81.07060	34.6
83.01341	7.0
83.04961	24.8
83.08628	17.6
85.02904	25.7
85.06537	5.1
86.08940	4.9
86.09675	4.7
87.04463	13.6
91.05499	52.0
93.07047	38.7
95.04963	28.7
95.08617	22.7
97.02887	14.5
97.06516	38.8
97.10152	4.5
105.07033	44.1
107.04953	16.0
107.08601	22.1
109.02898	8.2
109.06513	15.4
109.10165	11.3
111.04417	12.1
111.08076	8.7
115.05486	7.9
117.07024	20.1
119.07787	4.7
119.08562	21.7
121.06494	15.8
121.10124	12.9
123.08100	10.8
123.11721	4.9
124.07612	4.9
127.03873	4.2
129.06995	14.0
131.08595	22.4
133.06482	16.1
133.10146	17.8
135.08054	15.1
135.11664	12.2
137.09581	5.7
138.05484	10.6
139.07550	5.4
141.06975	6.8
142.07840	5.1
143.08553	9.5
145.10132	17.8
146.36273	4.0
147.08028	4.6
147.11661	9.0
155.08597	5.4
157.06451	4.8
157.10136	9.3
163.11186	16.1
165.06935	4.5
166.08662	54.2
171.11665	10.8
173.09625	5.4
173.13252	8.4
175.11234	9.8
181.10214	4.2
181.24420	4.6
182.08115	14.8
184.07286	4.8
185.05995	4.9
189.12680	3.9
193.12218	23.9
200.09213	27.1
201.12750	5.8
211.13264	29.1
217.12358	6.9
219.13855	11.4
227.12746	7.2
237.14894	12.5
259.09534	7.0
267.15829	9.1
283.15405	89.4
284.15692	9.3
285.16940	50.6
293.17502	7.0
309.16980	28.7
310.17126	5.5
311.18512	17.3
355.15399	6.9
409.23737	5.0
491.26431	17.4
501.28085	14.0
519.22394	7.6
519.29504	100.0
520.29584	9.9
612.29993	8.5
716.35651	29.5
717.36633	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	716.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.8
55.05516	11.5
57.03443	7.2
67.05505	18.2
69.03421	5.5
69.07066	3.6
69.69668	15.0
79.02502	3.1
79.05502	17.3
80.05022	9.4
81.03422	12.5
81.07059	12.9
83.01336	4.5
83.04978	7.9
83.08610	4.3
85.02919	10.1
87.04485	5.1
91.05471	16.9
93.07039	16.3
94.39579	2.9
95.04990	8.7
95.08621	6.0
97.02901	5.7
97.06532	11.8
97.10172	3.0
98.22659	4.0
100.96707	2.8
105.07020	14.2
107.04973	4.2
107.08592	11.3
109.06517	5.3
109.10233	3.9
111.04463	6.9
117.07014	12.1
119.08580	10.3
121.06544	4.6
121.10120	4.3
123.08050	6.8
129.07085	3.9
131.08607	8.3
133.10091	3.5
135.08078	15.6
135.11700	10.1
137.09573	3.3
145.10086	8.3
147.11810	3.0
155.08641	4.0
159.25409	2.8
163.11220	12.6
166.08675	28.7
173.13361	3.2
175.11168	4.3
182.08234	5.6
182.59517	2.9
191.10522	3.6
193.12358	2.8
200.09235	10.7
201.12708	3.6
219.13834	8.0
227.12831	5.1
233.43057	3.0
239.66563	3.0
275.99109	3.1
283.15414	100.0
284.15732	3.5
293.17471	4.1
311.18463	4.3
355.15384	4.5
385.74680	3.7
491.26395	33.5
519.29834	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	716.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.5
54.42444	0.5
55.01627	0.8
55.01871	7.3
55.05512	12.4
57.03444	12.0
57.07065	2.3
59.04998	2.5
61.02923	3.5
65.03931	0.8
67.05138	0.8
67.05503	16.6
67.15016	0.5
67.56481	0.5
68.05844	0.5
69.03414	2.1
69.07068	17.8
69.47062	0.5
69.92548	2.2
71.01345	1.4
71.04984	3.2
71.08629	1.0
73.02899	1.1
77.03928	0.6
79.05492	20.8
81.02937	0.6
81.03418	10.5
81.04153	0.5
81.07056	21.0
81.70760	0.5
83.00883	1.0
83.01340	9.1
83.04986	12.8
83.08619	8.0
85.02905	7.5
85.06538	2.5
86.09677	0.9
87.08113	1.2
87.09760	0.5
91.03959	1.9
91.05479	14.7
93.07045	25.6
94.07356	1.1
95.00104	0.6
95.04972	7.2
95.08604	13.8
97.02911	3.8
97.06533	6.0
97.10160	1.9
98.23334	0.6
99.04442	2.7
99.08047	0.6
103.05475	1.1
105.04551	0.6
105.07032	10.4
107.04949	7.3
107.08595	14.2
109.02843	0.8
109.06513	8.0
109.10161	4.7
111.04439	2.4
111.08085	2.0
111.11687	1.1
113.05987	0.6
115.05431	0.6
117.07021	8.6
119.08586	9.8
121.06522	5.5
121.10143	12.5
123.08070	10.9
123.11652	0.6
125.05959	1.8
125.09592	1.1
127.03898	1.0
129.07016	1.5
130.07779	1.1
131.08571	8.2
132.08839	0.6
133.10123	3.2
135.04378	0.6
135.08054	4.4
135.11703	9.5
137.09621	2.6
139.07512	1.0
143.08533	1.0
145.10118	12.8
146.10425	0.6
147.08058	1.6
147.11684	2.0
149.09637	1.6
149.13269	1.1
153.12727	2.5
155.08546	0.8
157.10098	0.7
159.11664	0.6
163.11186	15.7
163.14790	2.8
168.95428	0.5
173.09683	2.6
173.13301	4.2
181.12265	1.9
181.15866	3.7
184.07344	1.0
191.10632	2.4
191.14297	8.0
201.12679	0.6
209.11763	5.0
209.15347	2.1
227.12741	3.0
237.14934	1.2
255.15976	5.1
283.15396	100.0
284.15781	5.4
311.18512	68.1
312.18729	4.3
389.19778	0.5
519.29517	64.4
520.29858	7.6
555.00635	0.6
727.71875	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98330	1.2
53.03945	3.3
55.01859	5.0
55.05511	21.7
56.42659	1.3
57.03434	12.2
57.07088	1.6
59.05003	4.1
61.02925	2.4
61.31281	1.2
65.03944	3.3
67.05505	100.0
68.05851	2.9
69.03418	8.1
69.07070	22.7
71.04993	3.8
78.11411	1.3
79.05495	20.5
81.03418	7.9
81.07054	26.4
83.04975	4.7
83.08610	14.2
84.07388	1.2
85.02923	3.5
85.06530	3.5
87.04454	1.2
91.05473	22.0
93.07041	19.0
95.04971	8.4
95.08607	12.1
97.02884	8.2
97.06558	3.1
97.10162	10.2
105.07027	12.0
107.04946	5.5
107.08603	12.1
109.06552	1.8
109.10154	77.3
110.10504	3.8
111.08090	4.1
114.66035	1.3
117.06998	7.2
119.08581	16.4
120.26678	1.2
120.33832	1.1
121.06512	3.1
121.10144	5.2
123.08093	2.7
123.11671	1.3
125.09608	9.3
129.07014	2.3
131.08595	7.9
133.06496	2.6
133.10136	7.2
135.08034	3.6
135.11694	3.8
137.09602	5.9
143.08557	3.7
145.10141	5.5
147.08055	3.7
147.11676	3.0
149.09601	2.0
151.11148	1.7
155.10641	3.1
157.10164	2.0
159.11690	2.3
161.09552	1.4
163.11110	2.1
173.11742	19.3
173.13158	2.3
175.11206	1.6
177.12654	1.4
184.07347	2.3
189.11234	4.2
195.13835	1.7
201.73236	1.3
205.12286	2.4
212.77826	1.4
223.13303	16.1
227.12729	3.9
229.14345	72.8
230.14767	3.3
249.14848	3.2
253.14339	5.3
273.18475	15.7
274.59665	1.5
275.20099	1.3
291.19534	92.6
292.19916	5.1
347.22223	3.3
365.23230	39.8
366.23517	4.5
439.27161	3.1
461.29068	1.4
471.11560	1.4
501.32144	1.9
519.33167	93.7
520.33478	11.8
523.11713	2.5
524.12079	1.9
526.08868	1.6
546.72375	1.3
569.12463	2.2
610.15472	1.7
612.17194	2.4
629.17621	2.6
638.15521	3.8
652.24182	1.8
653.24805	1.4
656.16327	1.5
670.18433	4.0
688.19684	5.9
689.19855	1.4
698.17297	4.8
716.18658	3.3
716.33929	2.0
717.37811	7.4
740.66962	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.01875	3.5
55.05511	15.0
56.27695	0.6
57.03440	10.0
57.07078	4.9
58.06588	1.9
59.04989	1.6
60.08142	0.7
61.02916	2.2
62.49488	0.6
67.05503	15.1
69.03420	1.6
69.07067	14.5
71.04978	2.1
71.08636	1.5
72.77953	0.6
73.02938	1.3
79.05495	12.4
81.03412	6.6
81.07057	17.9
83.01346	5.5
83.04979	6.1
83.08147	1.3
83.08618	18.2
85.02908	4.9
85.06541	1.0
85.10170	1.2
91.03957	2.0
91.05473	5.7
93.07049	17.4
95.04953	3.7
95.08604	11.6
97.02886	2.9
97.06529	3.9
97.10162	5.4
98.22654	1.6
99.04436	1.1
99.08099	1.6
105.07027	4.7
107.04956	3.7
107.08600	9.7
109.06504	3.9
109.10152	3.8
111.04450	1.4
111.08087	2.1
111.11700	1.4
117.07009	3.5
119.08583	4.9
121.06495	1.8
121.10143	11.8
123.08054	3.7
123.11728	1.7
125.06038	1.3
125.09612	1.9
129.07022	0.8
133.10126	1.2
135.08070	1.2
135.11688	9.8
136.12099	0.9
137.09596	1.2
137.13246	1.3
139.11224	1.4
145.10118	7.8
147.08066	0.9
149.13274	1.7
153.12718	2.1
153.16620	0.7
163.11176	11.9
163.14861	0.8
165.55072	0.6
173.09625	1.5
181.12247	1.5
191.10641	1.7
209.11732	4.3
219.21007	1.6
227.12750	3.3
236.14882	4.8
237.22200	1.8
250.83009	0.7
283.15393	100.0
284.15741	4.7
311.25784	58.8
312.26077	3.7
519.36792	35.3
520.37097	4.8
579.87140	0.8
653.90710	0.8
715.52112	1.0
716.50104	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	716.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59246	1.3
53.03948	4.5
55.01876	2.7
55.05511	16.2
57.03440	10.5
57.07080	3.4
58.06603	2.5
59.04996	2.3
61.02929	4.8
65.03938	2.6
65.35897	1.1
67.05504	100.0
68.05831	1.5
69.03430	3.9
69.07071	11.3
71.04984	22.4
71.08627	1.0
73.02924	2.1
79.05492	56.6
80.05841	1.2
80.39825	1.0
81.03432	6.3
81.07058	39.2
82.07387	1.3
83.04986	5.0
83.08616	8.9
85.02895	5.8
85.06557	3.6
86.09725	2.1
91.03957	1.6
91.05480	31.8
93.07040	63.8
94.06740	1.2
94.07378	2.6
95.04965	5.9
95.08604	28.9
96.04510	1.0
97.02921	3.4
97.05979	1.0
97.06535	4.8
97.10167	2.9
98.23475	2.4
99.08109	3.9
105.04491	1.9
105.07025	12.7
107.04969	1.9
107.08586	17.9
107.69396	1.1
109.06509	2.8
109.10152	62.6
110.10479	2.1
111.08084	4.0
117.07040	5.4
119.04935	2.9
119.08572	17.3
121.10142	27.1
123.08070	1.2
123.11727	2.8
125.09623	1.9
131.08557	7.9
133.10114	7.0
135.08083	1.5
135.11678	15.4
137.09613	11.4
145.10115	9.7
147.04407	6.7
147.11697	5.4
149.09735	1.4
149.13266	3.7
151.11147	1.3
155.10728	2.7
157.10043	1.9
159.11719	4.4
163.11209	3.9
165.12785	1.5
169.12247	1.9
171.11754	3.1
173.11751	8.3
173.13205	2.1
181.12294	2.1
184.07358	5.5
187.13297	1.2
197.13289	1.4
213.14856	1.7
215.17987	5.6
227.12791	1.5
229.14227	1.9
229.27736	1.4
233.18980	1.6
236.14925	7.7
253.11014	1.1
255.15939	6.5
259.15347	2.8
283.15381	4.6
287.18491	19.2
307.22659	33.9
308.22903	1.9
311.25885	3.6
335.25873	1.7
351.26721	1.3
369.27798	1.6
409.49414	1.1
443.31461	2.7
461.32587	100.0
462.32935	9.7
474.37744	1.6
475.34058	3.8
487.34042	9.3
519.36749	82.0
520.37103	11.4
680.46936	2.6
698.47894	3.8
717.38037	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	716.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09382	1.2
53.03933	3.2
55.01878	2.3
55.05516	18.3
56.82368	1.5
57.03441	15.0
57.07075	2.9
58.06602	4.3
61.02927	7.6
65.03944	2.4
67.05508	40.7
69.03447	7.6
69.07067	14.9
69.46084	7.7
71.04999	5.2
71.08636	2.2
73.02927	4.0
79.05492	26.8
79.05911	2.1
81.03424	35.6
81.07060	47.0
83.04986	9.5
83.08619	16.3
84.44753	1.2
85.02422	2.4
85.02907	20.0
85.06574	2.4
86.09695	2.7
87.04475	2.1
91.03985	3.6
91.04918	1.0
91.05482	27.4
91.44135	1.1
93.07039	22.7
94.07354	1.5
95.04960	13.6
95.08604	22.6
95.09161	1.7
97.02907	7.1
97.06512	3.5
97.10180	3.4
99.04484	1.8
99.08112	3.0
101.02389	1.4
105.07026	15.0
107.04980	4.3
107.08607	10.6
109.02853	1.3
109.06531	2.8
109.10180	10.3
110.31494	1.3
111.08092	5.6
117.07026	3.7
118.53857	1.2
119.08588	16.1
121.06573	1.4
121.10147	12.6
123.08066	2.9
123.11715	6.4
125.00018	1.7
125.09628	1.8
127.03936	2.5
129.07016	4.4
131.08588	7.7
133.06523	1.6
133.10162	9.1
135.11710	5.8
137.09703	1.9
137.13266	1.5
139.13483	1.3
142.07816	1.5
144.10255	2.1
145.10159	4.8
147.08080	2.8
147.11676	7.5
149.09641	4.2
149.13263	2.1
151.14717	1.3
155.08592	1.6
157.10109	6.7
161.13307	2.3
163.11151	1.6
175.11177	7.3
184.07327	8.4
185.02895	1.2
193.12231	21.7
211.11305	2.3
211.13295	35.5
211.15189	2.7
217.19464	3.0
235.20526	2.2
236.14896	10.0
243.08560	1.9
259.15408	2.8
261.22226	2.2
267.16006	11.7
277.21609	1.3
283.15421	4.1
285.16959	48.2
286.17319	2.3
309.24228	39.5
310.24530	3.5
311.25769	3.9
335.06406	1.4
335.25885	4.1
412.04477	1.3
461.32434	1.7
467.18732	5.2
491.26068	7.6
501.35736	7.1
519.36737	62.6
520.37531	9.3
601.51447	1.9
626.46106	2.3
698.47571	3.8
716.47015	2.4
717.38098	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	716.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	9.8
57.03439	11.8
57.07076	37.3
67.05506	31.9
68.98576	23.1
68.98987	17.0
69.03387	4.9
69.07053	13.7
71.08620	21.8
79.05488	38.9
79.66656	4.0
81.03431	7.7
81.07053	39.2
83.04971	6.1
83.08622	12.1
85.10180	13.9
89.06013	6.5
91.05486	33.9
93.07048	41.7
95.04974	9.6
95.08612	33.4
97.06509	4.7
97.10143	8.1
98.22593	6.4
98.84220	5.1
105.07020	20.8
105.46197	4.2
107.08575	17.0
109.10131	12.8
117.05949	3.8
117.06932	4.1
119.08547	8.0
123.08140	5.6
129.06944	7.4
133.08578	5.8
133.10086	5.0
145.10085	10.5
147.11717	18.1
161.13193	8.8
171.11714	9.9
174.28038	4.1
184.07379	22.9
189.12766	5.6
207.13788	18.3
236.14999	7.1
281.17401	53.6
313.27332	47.5
465.80078	5.5
519.40503	100.0
520.40967	10.9
716.50446	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	716.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
55.01862	0.4
55.05479	1.3
56.05009	0.3
57.03441	4.0
57.07082	3.5
58.06603	28.2
59.06911	0.3
59.07383	7.8
60.04515	0.3
60.08168	7.5
60.08449	0.3
67.05502	2.1
69.07071	1.5
69.73444	1.4
71.08631	2.4
72.01170	0.3
73.02892	0.5
75.04478	2.1
79.05500	1.4
81.03426	4.8
81.07072	2.5
81.69740	0.3
83.04947	0.3
83.08641	1.4
84.08111	0.8
85.02911	2.0
85.10152	1.2
86.09703	0.5
87.04462	3.4
89.05994	0.9
91.05482	1.7
93.07027	0.8
95.04988	1.6
95.08614	2.3
97.10179	0.5
98.22652	0.3
100.11240	0.5
102.05508	0.5
103.03924	0.5
105.05489	0.7
105.07006	0.7
107.04884	0.4
107.08555	0.6
109.10128	0.6
113.05978	1.2
113.06771	0.3
117.06965	0.4
119.08545	0.6
121.06494	0.3
121.10162	0.3
129.06940	0.5
130.08609	0.5
131.07016	0.9
131.08517	0.8
133.08571	0.8
144.10199	11.2
145.10489	0.4
159.06535	0.3
162.11282	3.4
163.11435	0.4
184.07266	0.3
193.12270	0.4
194.12428	0.3
200.12827	0.9
218.13840	1.0
236.14926	69.2
237.15291	3.8
238.15416	0.4
255.12219	0.8
283.15369	1.3
297.86948	0.3
311.25806	0.9
313.27258	0.8
366.26324	0.4
369.29947	0.5
410.25488	2.8
412.37766	0.5
413.38138	0.4
428.26431	5.1
429.26666	0.7
456.36838	5.1
457.37366	0.6
474.37933	12.3
475.38208	2.1
519.36835	1.0
666.49359	100.0
667.49652	17.1
684.49200	0.4
716.52094	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	717.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
53.85105	0.7
55.01886	1.4
55.05506	2.6
57.03440	2.4
61.02929	4.6
67.05508	10.3
69.03434	4.2
69.07070	2.6
69.71748	1.5
69.72158	2.2
73.02925	3.1
79.05495	7.2
81.03429	3.8
81.07050	7.0
83.05000	1.3
83.08630	1.3
85.02903	4.0
87.04473	0.8
91.03965	2.2
91.05493	9.0
93.07034	6.1
95.04971	1.8
95.08620	3.3
97.02901	4.1
97.06536	1.3
97.10164	0.8
101.02386	1.9
103.23030	0.7
105.07040	5.0
107.04976	2.8
107.08614	3.0
109.02916	1.0
109.06510	0.9
109.10174	3.5
111.04435	0.8
117.07026	2.1
119.08566	3.6
121.10187	1.5
123.08092	1.2
127.03919	1.1
129.07007	1.2
131.08562	3.8
133.10143	1.7
135.11751	1.0
138.67836	0.8
143.08569	0.8
145.10126	2.6
149.02406	0.9
159.11719	0.8
163.11192	1.8
182.41811	0.8
184.07343	0.8
185.13461	0.7
193.05017	1.1
197.13383	0.7
209.11665	0.7
229.14418	2.0
243.08432	1.6
275.20059	0.7
277.61179	0.7
283.15387	1.0
297.16089	0.8
315.87659	0.7
329.17218	1.0
423.27567	2.1
429.11594	1.0
467.18884	3.7
491.22519	8.4
533.30182	1.2
533.76593	0.9
567.48083	0.8
580.12292	0.8
685.27875	1.2
717.34442	100.0
718.35034	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	717.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42956	0.1
53.03947	1.1
55.01875	0.7
55.05513	2.0
56.05874	0.2
57.03437	2.7
57.07077	0.2
59.04996	0.2
61.02926	7.4
65.03916	0.3
67.05505	5.8
69.03430	3.6
69.07079	1.3
69.89182	0.1
71.01353	0.6
71.04993	0.9
73.02917	4.9
73.03314	0.3
76.79703	0.1
76.98259	0.1
79.05492	5.9
80.05846	0.3
81.03418	2.8
81.06585	0.3
81.07054	5.0
82.03771	0.2
83.01359	0.5
83.04987	1.0
83.08617	1.3
85.02903	6.5
85.06564	0.3
86.03270	0.2
86.09710	0.4
87.04452	0.2
91.03957	3.4
91.05473	3.1
91.06005	0.2
92.05822	0.1
93.07043	6.1
94.80784	0.2
95.04953	1.1
95.08605	3.7
96.08956	0.3
97.02893	5.4
97.06541	0.6
97.10173	0.4
98.22657	0.4
99.04455	1.1
99.08105	0.5
101.02385	2.3
103.03947	0.4
103.05451	0.1
105.07029	2.1
107.04978	0.5
107.08588	1.9
109.02888	1.1
109.06519	0.6
109.10143	1.5
111.04488	0.2
111.08060	0.2
115.03944	0.6
117.07038	0.9
119.08581	1.4
120.08933	0.2
121.06525	0.2
121.10139	2.6
122.10442	0.2
123.08098	0.6
123.11742	0.5
125.09620	0.3
127.03915	1.5
129.07007	0.3
131.08583	1.0
133.10146	1.1
135.08058	0.2
135.11688	1.3
137.09659	0.3
143.08585	0.2
145.04967	0.4
145.10126	1.2
147.11722	0.5
149.09625	0.3
149.13297	0.4
157.10187	0.4
159.11752	0.4
161.13332	0.2
163.11168	1.1
164.07013	0.2
171.11813	0.2
173.13316	0.3
184.07286	0.8
185.04147	0.7
193.12265	0.5
193.97589	0.2
203.05281	0.5
211.13374	0.7
211.32750	0.1
212.13680	0.3
215.18118	0.3
233.18993	0.2
236.15039	0.4
243.08392	1.7
249.11105	0.5
267.15903	0.2
283.15469	0.5
285.17035	0.7
286.17297	0.5
295.14563	0.2
307.22653	0.8
309.24173	1.0
310.24448	0.9
323.14072	0.2
355.08984	0.2
431.24146	0.2
467.18835	3.8
468.19193	0.5
469.27762	0.3
491.26157	10.9
492.26248	0.7
519.36761	0.4
520.37085	1.4
562.88440	0.2
635.25739	0.2
650.44440	0.2
653.26471	0.2
685.28784	0.2
717.38092	100.0
718.38452	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	717.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.01876	0.6
55.05506	1.4
57.03439	2.2
57.07072	0.4
61.02929	5.2
65.03957	0.3
67.05507	4.8
67.05840	0.4
69.03430	3.5
69.07063	1.5
69.09566	2.3
70.55208	0.2
71.01353	0.5
71.04992	0.6
71.07394	0.3
71.08640	0.4
73.02914	3.2
76.63033	0.2
79.05492	4.8
81.03422	2.0
81.07057	4.1
83.01345	0.5
83.04990	0.6
83.08627	0.8
85.02908	5.6
85.06528	0.3
86.09717	1.0
87.04440	0.4
91.03963	3.0
91.05479	4.7
93.07044	3.9
95.04993	0.8
95.08601	3.1
95.09157	0.3
97.02895	4.5
97.06499	0.4
97.10168	0.4
99.04468	0.9
101.02382	2.1
103.03984	0.5
105.07029	1.3
106.06560	0.5
107.04989	0.6
107.08594	2.9
108.08910	0.3
109.02911	1.0
109.06519	0.5
109.10160	1.4
111.08110	0.3
115.03975	0.5
115.05490	0.4
117.07022	3.5
119.08582	1.6
121.06532	0.2
121.10158	1.7
123.11715	0.5
125.00005	0.6
127.03899	1.3
129.05482	0.3
131.08600	0.7
133.10161	1.0
135.08057	3.7
135.11743	0.9
137.09637	0.4
145.04977	0.4
145.10149	0.7
147.11682	0.4
157.72183	0.2
163.07506	0.4
184.07359	3.7
185.04259	0.4
203.05400	0.4
211.13266	0.3
236.15028	0.5
243.08344	2.0
255.12373	0.5
283.15417	0.3
285.16684	0.3
299.14868	0.3
303.06909	0.6
309.24451	0.6
310.24518	0.4
311.25919	0.3
313.27393	0.6
318.83990	0.3
335.25955	0.6
411.16229	0.5
439.15768	7.9
440.16089	0.5
519.29303	5.8
519.36401	0.5
520.29718	0.6
520.37439	1.1
571.84906	0.3
626.62878	0.3
653.28088	0.4
699.47485	0.3
717.38092	100.0
718.38458	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	718.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
53.79029	1.6
55.01864	5.3
55.05513	19.6
57.03442	12.9
57.07056	2.6
59.04984	3.8
61.02924	4.6
65.03939	4.0
67.05508	100.0
68.05823	2.4
69.03434	4.8
69.06780	1.6
69.07075	16.8
70.38782	1.3
71.04985	3.7
79.05490	26.0
80.05836	1.6
81.03409	9.6
81.07060	41.4
82.07394	1.8
83.04990	6.7
83.08619	11.4
84.55911	1.5
85.02897	7.4
85.06538	4.4
91.03957	1.8
91.05486	28.5
93.07054	33.2
95.04971	5.5
95.08607	19.0
97.02891	5.8
97.06563	6.6
97.10167	6.2
99.04508	2.1
99.08067	3.2
103.05429	1.6
105.07035	19.8
107.04945	6.5
107.08595	22.4
109.02856	2.7
109.06500	4.3
109.10157	69.4
110.10498	2.4
111.08122	3.7
115.05445	1.8
116.06265	1.7
117.07030	9.5
119.08580	14.7
121.06523	3.4
121.10165	9.8
123.08069	2.2
123.11697	3.2
125.09628	5.9
127.03899	3.0
129.07011	5.5
131.08575	10.7
133.10141	9.3
135.08084	2.2
135.11714	5.3
137.09656	3.2
141.06956	1.8
143.08548	2.5
145.10132	9.7
147.11716	4.5
149.09657	9.9
149.13284	4.1
155.10651	2.4
157.10201	3.2
159.11713	6.3
161.13216	2.4
163.11215	4.5
169.10178	2.6
171.11696	2.2
173.04543	2.2
173.11768	21.3
173.13142	2.8
175.11186	2.1
177.12703	3.1
183.11659	1.8
185.13322	2.2
189.11229	3.5
195.13919	2.1
227.12762	10.1
229.14352	56.5
230.14622	1.7
239.17964	1.7
247.20801	2.4
253.20909	1.4
255.15929	3.6
257.18936	6.6
269.17499	6.7
275.20059	20.6
283.15439	2.1
293.21127	1.8
293.24585	1.4
349.23755	14.0
350.24307	2.2
399.23782	2.2
407.27798	2.0
409.25873	13.1
423.27426	48.3
424.27658	3.5
463.30246	2.8
503.33704	24.3
504.33932	2.0
521.34784	2.7
557.34540	2.5
567.31793	3.5
595.23181	1.6
718.34399	15.1
719.33685	4.1
719.44086	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	718.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98603	0.2
55.01874	0.2
55.05520	0.8
56.05036	0.7
57.03437	0.6
57.07070	0.8
58.06580	1.0
60.08170	5.6
61.02926	0.2
65.50317	0.2
67.05505	1.1
68.75272	0.2
69.07073	0.7
71.04998	0.2
71.07377	3.5
71.08633	0.6
78.50585	0.2
79.05498	0.8
81.03397	0.4
81.07062	1.2
83.05025	0.2
83.08624	0.6
85.02898	0.5
86.09708	30.0
87.10043	0.6
88.62519	0.2
89.06001	0.2
91.05497	0.9
93.07050	0.9
93.87206	0.2
95.05007	0.2
95.08611	0.9
97.02872	0.2
97.06557	0.3
97.10184	0.4
98.22562	0.3
98.98471	3.5
104.10735	2.3
105.07028	0.6
107.08586	0.4
109.06535	0.3
109.10181	0.3
117.07061	0.3
119.08571	0.6
121.10144	0.3
125.00009	19.8
126.00346	0.2
133.10138	0.3
135.11742	0.4
143.01053	0.4
143.08519	0.3
145.10132	0.5
163.11191	0.6
184.07347	100.0
185.07707	2.0
209.11699	0.3
228.10310	0.2
236.14970	1.2
272.78384	0.2
283.15424	2.2
284.15729	0.4
285.15942	0.2
291.19553	0.2
312.26059	0.3
313.27350	1.6
337.46893	0.2
365.23029	0.2
415.70926	0.2
454.19669	0.2
464.71359	0.2
466.29489	0.2
474.37885	0.2
496.33163	0.2
521.38275	1.7
622.27771	0.3
628.47949	0.8
718.43933	4.8
719.46204	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
55.01870	3.0
55.05513	6.5
57.03442	8.7
57.06794	0.9
57.07079	17.3
59.04993	1.2
61.02915	3.1
67.05506	7.9
69.03429	1.0
69.07068	4.3
69.89036	0.5
71.01382	0.5
71.05029	0.9
71.08636	12.3
73.02910	0.7
74.40952	0.6
79.05495	7.9
81.03413	4.1
81.07058	11.4
83.01340	3.7
83.04562	0.5
83.04989	4.9
83.08616	7.9
85.02908	3.8
85.10181	7.6
89.06031	1.1
91.03946	1.0
91.05476	4.5
93.07042	10.3
95.04969	2.3
95.08044	0.9
95.08608	9.8
97.02885	1.9
97.06548	2.1
97.10167	2.6
99.04473	1.1
103.07586	0.9
105.07027	3.4
106.46431	0.4
107.04961	3.9
107.08572	4.8
108.05348	0.5
108.94579	0.5
109.02818	0.4
109.06514	2.1
109.10152	4.1
111.04452	1.1
111.08051	0.7
111.11726	0.6
117.06998	2.9
119.08576	3.5
121.06504	1.2
121.10162	3.2
121.10875	0.5
123.08065	4.0
123.11700	1.4
125.06028	0.9
125.09609	0.6
130.07727	0.5
131.08601	1.6
133.10132	0.8
135.08072	0.5
135.11700	4.5
137.09615	0.9
137.13280	0.8
138.98042	0.4
139.11162	0.5
145.06477	0.4
145.10136	7.4
147.08026	0.8
153.12755	1.2
155.08554	0.8
163.11195	10.9
164.11588	0.6
166.99817	0.4
173.09592	2.2
181.12248	1.3
191.10704	1.3
191.18840	0.4
209.11742	4.5
227.12813	2.4
228.97189	0.4
238.38902	0.4
239.23703	1.7
257.24774	0.9
283.15399	100.0
284.15768	6.6
313.27350	75.7
314.27750	5.6
521.38367	47.0
522.38788	5.7
719.44623	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01873	5.2
55.05510	14.7
57.03440	19.1
57.07077	39.6
58.07398	0.6
59.04996	2.7
61.02930	6.6
65.03940	1.0
67.05506	18.3
69.03424	1.6
69.07072	11.1
71.01340	1.3
71.04986	3.0
71.08633	32.6
72.08958	0.7
73.02902	1.4
79.05496	14.6
81.03418	9.2
81.06583	1.4
81.07058	24.6
83.01334	6.8
83.04980	9.2
83.08148	1.1
83.08623	18.8
85.02507	0.8
85.02916	8.1
85.06552	1.5
85.10186	15.5
89.06036	2.8
91.03934	2.0
91.05472	7.5
93.07040	17.9
94.07341	0.8
95.04969	5.7
95.08610	25.9
97.02908	5.1
97.06517	4.5
97.10175	5.6
99.04453	2.3
99.11734	1.2
103.07574	1.0
105.07039	6.5
107.04953	6.4
107.08587	10.8
108.08967	0.8
109.06535	4.9
109.10156	11.6
111.04425	1.8
111.08059	1.3
111.11726	1.2
117.07003	4.8
119.08564	6.7
121.06509	2.6
121.10139	7.1
123.08070	7.2
123.11695	4.3
123.52311	0.6
125.05968	1.2
125.09636	1.5
127.00213	0.7
127.03925	1.1
129.06989	1.2
130.07768	1.1
131.08563	2.3
133.10141	1.1
135.08060	2.0
135.11693	9.9
137.09607	1.3
137.13274	1.3
139.07495	0.7
145.06535	0.8
145.10132	14.0
146.10500	1.0
147.08072	1.2
153.12746	2.7
155.08513	1.3
163.11188	19.9
163.12505	1.4
164.11534	1.1
173.09669	1.5
181.12228	4.1
184.07285	1.9
191.10709	2.3
209.11746	4.3
227.12775	3.5
239.23703	2.7
250.57820	0.6
257.24902	2.0
283.15393	82.2
284.15613	4.3
313.27353	100.0
314.27768	7.6
353.15302	0.9
370.01218	0.7
381.60419	0.8
403.20963	0.7
471.50357	0.7
521.38397	82.8
522.38757	10.1
622.27802	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	718.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.9
55.01874	4.4
55.05516	28.2
57.03437	16.9
57.07079	6.4
58.06593	1.2
61.02928	6.4
65.03931	2.7
67.05508	39.1
68.05831	1.6
69.03423	4.6
69.07069	32.3
69.78940	2.4
69.79317	2.3
71.04984	6.3
71.08623	4.9
73.02916	2.2
79.05060	2.1
79.05493	25.6
81.03421	50.7
81.07056	47.6
82.07436	1.1
83.04989	15.7
83.08146	2.3
83.08622	37.1
85.02905	24.2
85.03377	2.0
85.06553	2.0
85.10195	2.4
86.09712	5.0
91.03954	2.5
91.05487	28.9
92.68584	1.1
93.07047	29.6
94.07386	1.1
95.04961	22.6
95.08049	2.2
95.08607	28.0
96.08957	1.8
97.02895	7.6
97.06535	6.4
97.10182	12.1
99.08104	2.2
105.07030	20.0
107.04949	4.5
107.08599	15.0
109.06521	4.3
109.10146	8.3
111.04475	1.9
111.08081	9.0
111.11794	1.4
113.06008	3.1
115.05505	1.5
117.07053	1.2
119.08578	15.5
121.06474	1.5
121.10140	22.4
123.08048	2.1
123.11691	5.7
124.99996	3.9
125.05949	1.4
125.09625	2.2
127.07548	1.6
129.06995	8.3
131.08577	11.3
133.06482	2.4
133.10136	9.3
135.11711	8.3
137.09651	3.3
137.13257	1.8
139.11188	2.3
141.54659	1.1
142.07784	2.3
143.08522	1.3
145.10175	3.6
147.08038	2.4
147.11671	10.7
149.09647	4.5
149.13231	3.2
157.10150	12.6
163.11098	1.7
165.12817	2.8
175.11214	12.7
184.07352	13.1
185.07619	1.3
193.12247	38.2
211.13298	62.2
212.13637	3.5
214.64621	1.2
236.14958	3.2
237.22105	3.2
267.15878	16.1
268.16275	1.7
283.15375	2.0
285.16962	69.9
286.17352	3.1
290.04480	1.3
309.24283	2.1
311.25806	86.9
312.26059	6.7
331.17926	1.1
463.33603	1.4
493.27798	1.3
503.37332	14.6
504.37039	1.9
521.38379	100.0
522.38599	13.8
718.37384	1.8
719.39557	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	718.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47567	0.5
55.01839	1.1
55.05455	4.1
55.66872	0.5
57.03384	4.2
57.07017	6.2
57.07319	1.1
58.06544	31.9
58.06862	2.6
59.04958	0.7
59.07326	9.5
59.07645	0.7
60.08105	9.1
61.02891	1.3
67.05504	16.0
67.73142	0.6
69.03389	0.6
69.07072	4.4
71.04925	1.7
71.08565	3.8
72.23389	0.6
73.02863	0.9
75.04418	2.4
79.05493	3.6
80.10944	0.5
81.03364	2.0
81.07059	8.6
82.07363	0.5
83.04923	1.8
83.08619	3.7
84.08105	0.8
85.02905	3.1
85.06466	0.8
85.10123	1.9
86.09687	2.6
87.04469	3.5
90.76420	0.6
91.05493	2.8
93.05484	0.7
93.07045	3.9
95.04906	1.0
95.08617	5.1
97.02850	1.1
97.06469	1.1
97.10130	1.2
99.08035	0.8
100.11191	0.9
101.05914	0.5
102.05475	1.6
105.05423	0.7
105.06964	1.8
107.08534	2.5
109.10156	8.7
113.05935	1.7
117.06944	0.8
119.08517	2.3
121.10085	1.9
123.07937	0.7
123.11685	1.2
124.99979	1.5
130.08583	1.5
131.06972	1.7
133.10103	1.4
135.11644	1.7
137.09604	1.1
144.10190	18.8
145.10260	0.7
145.59172	0.6
145.60318	0.5
147.11557	0.7
158.57593	0.5
162.11259	6.3
163.11287	0.6
173.11728	1.0
184.07335	6.7
200.12766	1.5
211.13229	0.7
211.26575	0.5
218.13937	2.8
236.14920	100.0
237.15271	4.4
260.14960	1.2
260.29260	0.6
283.15277	1.5
285.16882	2.0
287.18588	0.8
290.16156	0.8
309.24234	1.8
311.25818	2.0
313.27328	2.4
369.30154	0.8
372.23788	9.1
390.24829	15.8
390.29892	1.0
391.25394	0.8
412.37933	1.3
456.36758	12.4
457.37311	1.2
462.26883	1.2
463.34091	5.0
474.37921	27.3
475.38461	2.9
489.35889	0.8
521.38306	8.2
528.39099	0.9
556.39734	1.1
615.97662	0.6
622.28271	1.1
628.47797	92.8
629.48145	12.4
629.57733	1.0
700.49756	7.2
701.50781	1.2
718.51379	25.0
719.39795	4.6
719.51526	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01863	1.4
55.05505	1.4
57.03439	2.3
61.02924	5.5
65.03924	0.3
67.05509	2.4
69.03434	3.7
69.07055	0.8
70.00903	1.0
71.01357	0.6
71.04976	1.3
73.02920	3.9
79.05495	3.1
81.03416	3.4
81.07050	2.9
82.85686	0.2
83.01347	0.6
83.04980	1.3
83.08613	0.6
85.02900	5.3
86.92126	0.2
90.97301	0.2
91.03951	3.1
91.05472	3.6
93.07040	3.2
94.73238	0.2
95.04964	1.2
95.08601	1.5
95.09147	0.3
95.61729	0.3
97.02888	4.5
97.06542	0.9
97.10163	0.4
98.22706	0.4
99.04443	1.2
101.02367	2.5
103.03939	0.4
105.07027	3.2
107.04951	1.7
107.08586	1.3
109.02893	1.0
109.06525	1.4
109.10186	0.6
111.04429	0.6
115.03931	0.5
115.05432	0.5
117.07036	0.9
119.08567	2.2
121.06540	0.7
121.10143	1.0
123.08052	1.7
127.03905	1.2
128.06192	0.6
129.07047	1.2
131.05003	0.3
131.08575	1.0
133.06447	2.0
133.10150	1.0
135.08080	0.8
135.11705	1.0
137.09642	0.3
139.07480	0.4
141.07021	0.4
143.08588	0.9
145.04921	0.4
145.10118	1.8
147.08051	0.3
147.11722	0.5
149.09645	0.5
151.07605	0.8
154.41255	0.3
155.08600	0.5
157.10168	0.3
161.09592	0.3
163.11186	2.0
171.11702	1.1
173.09616	0.6
175.11377	0.3
181.10060	0.3
185.04243	0.6
199.11198	0.5
209.11693	0.5
243.08452	1.9
249.10954	0.5
275.12802	0.4
283.15436	0.7
291.19589	0.4
305.13550	0.3
309.16687	0.5
433.19824	0.3
440.81726	0.3
467.18845	5.6
467.24847	0.5
468.19238	0.3
493.20428	9.6
494.21188	0.6
516.57697	0.3
557.26611	0.4
719.32416	100.0
719.42871	3.6
720.32855	15.3
720.43896	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93465	0.7
53.03929	0.7
55.01859	0.8
55.05503	1.9
57.03421	2.0
57.07082	3.9
58.06598	9.8
59.06940	0.9
59.07384	3.4
60.08177	3.9
63.64444	0.6
67.05514	3.9
69.07074	2.3
69.82315	2.7
71.08624	2.3
72.58154	0.7
75.04502	0.7
79.05501	3.4
81.03411	2.9
81.07063	4.5
83.04995	1.0
83.08619	2.1
85.10194	1.6
86.09715	5.1
87.04467	1.1
91.05473	2.3
93.07034	2.3
95.04958	0.9
95.08625	3.0
97.06519	0.9
97.10160	1.0
105.07065	1.2
107.08582	1.8
109.06504	1.1
109.10154	2.0
111.08101	0.8
117.07023	0.7
119.08525	1.5
125.00016	4.3
131.08569	1.1
135.11729	1.2
144.10208	3.7
145.10179	1.3
163.11456	1.0
184.07347	14.2
185.07675	1.1
195.09145	1.6
197.10721	1.5
204.06596	0.9
207.09271	1.2
209.10680	1.0
210.11560	0.9
211.12364	1.2
221.10745	0.9
223.08836	1.3
223.12361	2.3
224.13142	0.9
225.10257	1.5
225.13846	3.4
226.14467	1.3
235.12379	0.9
236.14934	15.0
237.15424	8.5
238.15492	5.4
239.15611	1.6
249.13835	0.9
251.08289	3.0
283.15479	3.3
284.15747	1.2
313.27502	2.8
314.12885	1.3
314.27612	1.7
339.13824	0.8
352.14639	0.8
356.14169	1.0
389.17807	1.2
390.18930	1.0
399.19388	1.6
403.15646	2.2
404.20383	1.0
405.21289	1.2
417.16882	4.4
418.17804	3.8
419.18506	1.2
429.26782	0.9
430.26926	1.0
431.18790	2.7
432.18887	3.8
433.20120	5.7
434.20905	0.9
445.16730	2.5
446.21362	1.1
447.21860	12.8
448.22256	2.6
459.22388	1.0
460.18729	1.5
461.19122	1.0
462.20358	0.9
465.35788	1.0
473.19531	0.9
474.20593	1.2
475.21219	27.9
475.38336	2.2
476.21976	6.9
476.38513	1.7
477.23679	1.1
487.21295	1.3
489.23001	1.0
503.20325	4.9
507.23981	1.3
508.23831	0.8
519.23956	1.7
521.38141	1.0
522.38843	2.0
523.40039	1.2
533.23981	0.8
535.23328	20.7
536.23688	2.3
547.23499	4.0
549.24896	2.0
561.24969	7.4
562.25598	5.1
563.26129	4.7
590.24969	1.1
621.27136	10.1
622.27838	100.0
623.28186	13.2
667.49249	1.5
668.50024	18.4
669.50311	9.0
719.33752	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86458	0.2
51.02397	0.3
53.03933	0.8
54.77518	0.3
55.01877	0.6
55.05521	1.5
57.03442	2.1
58.06593	0.4
59.04993	0.3
61.02926	6.7
67.05505	4.7
69.03423	3.5
69.07063	0.9
69.39687	1.2
69.40095	0.6
71.01353	0.5
71.05000	0.8
73.02914	4.3
77.03895	0.3
79.05497	5.5
81.03409	2.8
81.07058	4.7
83.01408	0.3
83.04987	0.5
83.08614	1.0
85.02904	6.7
87.04485	0.9
91.03951	3.7
91.05482	3.1
93.07047	5.0
95.04964	1.7
95.08603	2.9
97.02893	5.3
97.06512	0.5
99.04464	1.0
99.08101	0.3
101.02397	2.1
103.03992	0.3
105.07040	1.7
107.04948	0.4
107.08595	1.6
109.02889	0.7
109.06544	0.3
109.10164	1.2
111.08035	0.3
115.03851	0.6
117.07019	0.3
119.08561	1.6
121.10133	2.9
123.08073	0.3
123.11679	0.6
125.09567	0.3
127.03920	1.4
129.07001	0.5
131.08578	1.0
133.10144	1.5
135.11711	1.1
145.04984	0.5
145.10188	0.6
147.11679	0.8
149.09613	0.4
149.13240	0.5
157.10104	0.6
159.11682	0.6
175.11206	0.4
185.04227	0.5
193.12289	0.5
236.15024	0.7
243.08426	2.2
251.12549	0.9
262.33173	0.3
307.22772	1.0
409.47812	0.3
469.20374	3.6
470.21207	0.4
491.26123	8.7
492.26370	0.8
519.86353	0.3
523.96436	0.3
581.44714	0.3
638.09570	0.3
719.39630	100.0
720.39716	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	719.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15975	0.3
51.47698	0.3
53.03948	1.0
55.01858	0.5
55.02178	0.3
55.05508	0.9
57.03441	1.9
57.07079	0.5
58.06597	0.4
60.08144	0.4
61.02927	5.5
67.05508	5.7
67.30904	0.3
68.05833	0.3
69.02358	0.3
69.02785	0.3
69.03433	3.3
69.07075	1.8
71.05008	1.0
71.87546	0.3
73.02923	3.8
79.05497	4.2
79.72723	0.3
81.03416	3.0
81.07057	4.7
83.04987	1.0
83.08636	0.6
85.02910	5.0
86.09710	0.7
87.04462	0.6
91.03948	2.8
91.05479	5.2
92.64821	0.4
93.07044	4.7
94.02032	0.3
95.04960	1.2
95.08601	3.6
97.02905	5.1
98.22575	0.8
99.04455	0.6
100.45057	0.4
101.02374	2.2
103.03958	0.4
105.07036	2.2
107.04980	0.5
107.08578	2.1
109.02888	0.9
109.06506	0.6
109.10179	1.4
111.04440	0.3
115.03944	0.4
117.07049	0.6
119.08583	3.8
120.08969	0.5
121.10140	2.3
122.93952	0.3
123.08037	0.4
125.00000	0.8
125.09648	0.4
127.03905	2.0
129.07024	0.6
131.00121	0.3
131.08577	0.8
133.10152	0.8
135.08040	0.6
135.11708	0.8
137.09633	1.2
145.04971	0.4
145.10187	0.6
147.08052	0.5
147.11682	0.5
149.09628	0.4
159.11848	0.3
163.11250	0.4
165.09128	0.6
170.63599	0.3
184.07295	2.1
185.04213	0.7
186.21664	0.4
223.09464	0.7
236.15070	0.9
243.08376	1.6
251.12639	0.7
283.15671	0.6
313.27554	0.8
318.32666	0.5
441.17368	5.7
442.17825	0.4
469.20560	0.9
491.26254	1.8
519.29346	2.9
521.38403	0.4
539.39917	0.5
624.25214	0.4
702.49365	1.2
719.39655	100.0
720.39893	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01865	1.1
55.05515	2.3
56.05020	0.7
57.03454	2.1
57.07048	1.2
58.06590	0.9
60.08168	5.8
61.02929	5.5
67.05193	0.5
67.05510	5.3
68.56694	0.3
69.03158	0.3
69.03432	4.0
69.07038	1.9
69.75369	1.8
71.01329	0.8
71.04979	0.8
71.07371	3.2
71.08620	0.7
73.02916	4.4
78.71313	0.5
79.05508	2.4
81.03409	3.0
81.07057	6.9
81.17548	0.7
83.04978	1.1
83.08606	1.4
85.02911	4.9
86.09712	26.5
87.04449	0.7
91.03963	4.3
91.05483	2.6
93.07041	3.4
95.04939	0.6
95.08604	4.1
96.08945	0.4
97.02898	5.4
97.06509	1.3
97.10102	0.7
98.23280	0.7
98.98495	2.0
99.04443	0.9
99.08079	0.6
101.02387	2.1
104.10723	1.5
105.07008	1.2
107.04922	0.5
107.08589	1.5
109.02860	1.2
109.10132	1.6
109.99390	0.4
115.03945	0.5
117.07001	0.6
119.08557	1.3
121.10159	2.0
123.08064	0.7
123.11736	1.1
125.00009	17.4
125.09612	0.5
127.03902	1.6
127.11212	0.4
133.10117	1.1
135.08063	0.5
135.11676	1.3
141.36511	0.4
145.10095	0.6
145.38356	0.4
147.11729	0.6
163.11154	1.1
184.07352	83.8
185.04279	0.5
185.07654	0.5
211.13132	0.4
236.15138	0.8
243.08424	2.0
249.10976	0.6
283.15393	0.5
286.48373	0.4
309.24164	0.9
408.02179	0.4
437.81070	0.4
467.18936	3.8
493.27664	9.5
494.28290	0.6
510.00128	0.4
701.50146	0.6
719.39716	100.0
720.39935	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01862	1.9
55.05511	3.1
56.08012	0.5
57.03433	2.3
57.07085	1.0
58.06597	0.9
60.08162	1.7
61.02929	5.1
67.05511	5.7
69.03434	3.8
69.07069	2.4
71.05005	0.8
71.07389	0.8
73.02912	3.8
79.05505	4.0
81.03416	2.9
81.07059	6.7
83.01312	0.5
83.04996	1.3
83.08625	2.2
85.02913	6.6
86.09706	8.4
87.04471	0.7
91.03461	0.6
91.03950	2.8
91.05493	4.2
93.07040	2.8
93.54355	0.6
95.04961	0.7
95.08613	4.1
97.02897	5.7
97.06550	1.1
97.10178	0.7
98.23426	1.4
98.98475	1.0
99.04441	1.4
99.08121	0.6
101.02393	2.0
105.07051	1.9
107.04961	0.9
107.08623	1.6
109.02901	0.8
109.10213	1.6
111.04456	0.7
111.11662	0.5
117.07033	1.4
119.08611	1.9
121.10152	2.1
123.08092	1.2
123.11709	0.8
125.00013	5.2
127.03933	1.2
131.08580	0.7
133.10147	1.0
135.08037	0.8
135.11711	1.7
145.10159	1.5
147.11714	0.7
153.12827	0.7
163.11218	1.6
184.07347	26.4
185.07681	0.7
193.12289	0.7
207.59021	0.5
211.13245	0.8
236.14989	1.1
243.08516	1.9
248.09885	0.6
283.15448	0.7
285.17108	0.7
311.25729	1.6
312.26382	0.9
467.18842	8.1
493.27704	5.0
522.38672	1.3
719.39722	100.0
720.39935	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	719.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08835	0.5
51.68239	0.5
52.20821	0.5
53.03946	1.1
55.01877	0.9
55.05510	3.0
57.03446	4.2
57.07075	2.1
58.06601	6.4
58.55963	0.6
59.06953	0.9
59.07378	2.8
60.08165	2.0
61.02922	5.6
65.82086	0.6
67.05509	7.9
69.03425	3.4
69.07063	3.8
71.01357	0.6
71.04992	1.5
71.08631	1.1
73.02917	4.3
75.04436	0.8
75.08889	0.6
79.05502	3.0
81.03423	3.1
81.07053	6.6
83.04985	0.9
83.08624	2.0
85.02908	6.6
85.10217	0.6
86.09717	2.9
87.04468	2.0
91.03956	2.9
91.05479	3.4
93.07052	3.6
95.04993	1.2
95.08613	4.6
95.58125	0.6
97.02892	5.5
97.06523	0.6
97.10189	1.0
98.23356	1.9
101.02374	2.1
105.07042	2.6
107.05008	0.8
107.07940	0.6
107.08617	2.6
109.02876	1.4
109.06561	1.3
109.10139	3.2
111.08108	0.8
117.07029	1.6
119.08560	1.9
121.10178	1.8
124.99976	1.5
127.03923	1.9
131.08530	0.7
131.72345	0.6
133.10207	0.8
135.08086	1.4
135.11717	1.1
144.10162	3.5
145.10378	1.4
163.11192	1.2
184.07343	10.4
184.08969	0.9
185.04181	0.8
236.14923	16.7
237.15263	5.2
243.08469	3.6
283.15552	2.1
284.15912	0.9
313.27243	1.1
314.27682	0.8
314.49774	0.6
367.63364	0.6
372.23846	0.9
390.24878	2.1
391.25186	1.4
439.15887	1.8
441.20862	0.9
456.36807	1.0
457.37231	1.6
467.18619	2.9
474.37994	2.5
475.38055	3.9
493.27768	7.0
521.30652	1.8
521.37921	0.7
522.38574	2.4
622.27209	1.1
628.47797	5.3
629.48181	17.6
630.48608	1.0
701.50354	0.9
719.39740	100.0
720.40051	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	720.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	2.4
53.03939	1.4
54.00235	0.3
55.01872	2.2
55.05514	10.5
57.03437	5.3
59.05006	3.0
61.02924	1.9
61.81379	0.3
64.42285	0.4
65.03941	0.5
67.05506	9.1
69.03427	1.7
69.07059	1.3
71.01344	1.3
71.04972	1.2
73.02927	0.9
79.05489	6.5
81.03419	3.2
81.07055	12.1
83.04990	2.7
83.08628	9.2
83.09116	0.7
85.02895	2.6
85.06549	1.0
91.03954	0.6
91.05486	16.1
93.07043	9.7
93.07623	0.6
95.04990	2.3
95.08621	3.9
96.04526	0.4
96.99926	0.4
97.02889	3.8
97.06537	2.7
97.10174	1.1
99.00816	15.8
99.04457	0.9
101.02356	0.4
103.05476	1.1
105.07033	11.4
106.07375	0.7
107.04958	4.7
107.08596	5.2
109.02885	9.4
109.06515	2.4
109.10151	3.1
111.04428	1.6
111.08069	3.3
113.05995	0.4
113.41306	0.4
115.03947	2.6
115.05410	0.4
117.07038	2.2
119.08582	6.7
120.08965	0.4
121.06511	6.5
121.10125	1.2
123.04461	1.5
123.08073	1.3
123.11731	1.4
125.09621	0.6
127.03916	2.1
128.06242	1.1
129.07004	0.8
131.08563	1.1
131.93198	0.4
133.06503	1.3
133.10133	30.0
134.10464	1.1
135.08051	1.6
135.11685	1.1
137.05989	1.5
137.09633	1.1
139.03923	0.7
139.07474	2.2
141.05418	0.4
142.92686	0.4
143.08542	4.1
145.06468	0.9
145.10162	1.0
147.04367	0.5
147.08035	0.9
151.11171	9.1
151.12314	0.6
152.11499	0.5
153.09048	0.4
161.09627	16.6
162.10034	0.7
163.11203	0.8
165.09128	0.6
168.06589	0.6
171.08035	3.3
179.10657	9.2
181.12129	0.6
189.09108	8.2
197.11758	3.1
207.10152	2.5
225.11208	9.8
243.12277	3.0
281.13824	5.2
283.15494	1.2
299.14899	100.0
300.15213	6.0
301.94873	0.4
307.05368	0.4
319.83347	0.4
396.12970	0.4
473.25131	1.0
491.26407	2.5
505.23679	0.6
523.25366	44.1
524.25665	4.5
709.32349	0.4
720.29358	0.8
721.24835	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.1
55.01871	10.1
55.05511	19.6
57.03435	14.6
57.07076	1.4
59.04997	4.6
61.02923	4.4
67.05134	1.3
67.05502	27.2
69.03422	4.1
69.07067	8.5
69.82236	3.6
69.82589	1.5
71.01346	4.2
71.05000	7.6
73.02924	1.2
75.67199	0.9
79.05492	34.7
81.03416	32.8
81.07056	27.9
82.07394	1.2
83.01351	9.2
83.04980	20.4
83.08620	15.3
85.02898	10.2
85.06534	4.5
91.03976	1.4
91.05476	23.4
93.07041	38.0
95.04952	14.0
95.08605	16.4
97.02898	10.7
97.05912	1.4
97.06527	11.2
97.10167	2.0
97.86726	1.0
98.23305	1.1
99.04447	4.7
99.08127	0.9
103.05429	1.6
105.07025	12.9
107.04954	21.9
107.08595	23.2
108.08949	1.1
109.02853	1.6
109.06524	13.4
109.10149	4.7
111.04441	25.2
111.08080	3.5
111.11707	1.1
113.06044	2.3
115.05473	1.2
117.07016	13.3
119.08579	17.2
121.06506	8.9
121.10142	15.4
123.04425	1.4
123.08062	13.9
125.05995	8.9
125.09644	3.9
127.03819	1.7
129.06995	4.2
130.07777	2.9
131.04922	2.3
131.08583	8.7
133.10120	3.9
135.08055	4.2
135.11693	23.4
135.12691	1.7
137.09630	3.4
139.11250	1.1
143.08507	1.5
145.06496	3.3
145.10117	33.0
146.10435	1.5
147.08043	7.5
149.09631	2.6
153.12752	11.1
155.08565	3.3
163.11177	46.7
164.11580	2.6
165.09193	1.2
167.14288	1.0
173.09615	9.9
181.12221	9.4
191.10651	11.3
209.11702	14.6
223.13287	18.6
224.13458	1.2
227.12766	13.0
241.14339	27.5
242.14731	1.4
247.13435	1.6
265.14352	6.9
283.15390	100.0
284.15747	7.5
297.16913	2.0
315.18005	33.6
316.18262	2.3
381.20520	1.8
385.18790	1.0
399.21710	1.2
455.24036	3.0
473.25278	19.0
474.25421	1.6
491.26367	99.1
492.26740	11.9
505.27551	1.4
509.27393	1.9
523.28992	66.8
524.29498	11.6
720.32129	1.3
721.33990	1.5
745.66815	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.6
52.74165	0.3
53.03942	2.3
55.01870	5.7
55.05511	10.4
57.03436	9.3
57.07043	1.0
59.04974	1.2
61.02932	1.8
65.03909	1.4
67.05502	16.0
69.03400	1.5
69.07066	4.7
69.69274	1.7
71.01319	0.8
71.04981	3.7
73.02904	0.8
77.03896	0.5
79.05490	20.2
80.05806	0.5
81.03418	8.9
81.07053	16.7
83.00882	0.5
83.01332	4.6
83.04501	0.6
83.04977	11.5
83.08620	7.4
85.02910	4.9
85.06531	1.0
87.04447	0.3
91.03943	0.8
91.05479	16.1
91.49664	0.4
93.03369	0.5
93.07042	22.3
93.64221	0.4
94.07339	0.9
95.04967	10.0
95.08601	8.1
97.02387	0.4
97.02890	4.6
97.05991	0.5
97.06532	5.7
97.10193	1.9
99.04472	2.7
99.08053	1.0
103.05439	1.1
105.04536	0.5
105.07030	7.9
106.07349	0.4
107.04955	11.8
107.08590	11.9
108.08859	0.4
109.02836	1.6
109.06523	3.7
109.10141	2.4
109.37810	0.4
111.04437	8.5
111.08060	2.7
113.05994	0.7
115.05444	0.9
117.06213	0.5
117.07006	8.7
119.07787	0.6
119.08578	8.2
120.08899	0.4
121.06499	3.1
121.10136	7.5
123.04469	1.7
123.08057	5.1
123.11646	0.5
125.05956	1.6
125.09605	1.3
127.03873	1.4
128.06197	0.4
129.06970	2.1
130.07738	1.0
131.04884	0.8
131.08557	4.1
132.81421	0.4
133.06474	0.4
133.10121	2.4
135.08086	2.2
135.10658	0.6
135.11690	12.5
135.64838	0.4
136.11993	0.6
137.09599	1.8
139.07478	0.8
143.08521	1.3
145.06505	1.9
145.10120	14.9
147.08073	2.6
147.11568	0.4
149.05952	0.7
149.09628	2.4
151.11134	0.9
153.06943	0.5
153.12738	1.3
155.08533	1.4
157.10141	0.4
163.11182	21.3
164.11502	1.1
173.09602	4.4
181.12233	2.5
184.07350	0.6
191.10664	6.2
192.11003	0.6
209.11719	18.5
210.12097	1.0
219.51624	0.3
223.13330	0.7
227.12799	6.8
255.15874	0.4
265.14352	2.7
283.15387	100.0
284.15717	7.9
288.45865	0.4
297.16992	1.3
301.16360	0.5
315.18027	0.4
353.15558	0.4
473.25101	2.7
491.26364	61.3
492.26770	8.5
505.27869	0.8
509.26996	0.7
523.29138	1.2
635.30725	0.8
720.33020	0.5
720.45184	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78893	1.1
53.03942	1.9
55.01873	1.7
55.05513	23.0
57.03435	17.4
57.07074	31.0
58.46956	1.2
59.04992	1.6
61.02925	5.5
65.03952	1.5
67.05140	2.2
67.05505	41.7
68.00679	1.4
69.03429	4.2
69.07070	19.5
71.04995	8.0
71.07382	1.2
71.08632	25.8
79.05492	21.5
79.16972	1.4
80.92259	1.4
81.03419	47.3
81.07058	36.8
82.07426	1.5
83.04981	12.4
83.08619	32.2
85.02909	23.4
85.06554	2.2
85.10181	13.7
86.09712	3.6
91.03965	2.3
91.05479	31.9
93.07046	21.3
95.04971	20.8
95.08610	32.4
96.08983	1.6
97.02899	4.5
97.06542	5.2
97.10168	12.1
97.95737	1.2
99.03817	1.4
99.08086	2.5
102.15083	1.1
105.07032	17.0
105.07676	1.7
107.04964	5.8
107.08598	8.5
109.06533	4.6
109.10152	22.2
110.23526	1.4
111.04426	2.6
111.08083	7.7
111.11729	2.5
113.06014	2.1
115.05481	2.0
116.69249	1.2
117.07022	3.0
119.08590	15.7
121.06557	2.5
121.10146	14.6
121.82616	1.2
123.08089	2.1
123.11726	5.6
125.00008	2.2
125.09619	2.8
129.07016	6.8
131.08546	9.8
133.06520	2.1
133.10107	11.4
135.11690	4.6
137.09636	3.2
137.13350	2.7
138.93454	1.2
145.10176	2.5
147.08104	2.3
147.11673	12.2
149.09636	5.4
149.13257	1.3
157.10115	11.3
163.11224	2.2
165.12784	2.6
173.11797	1.9
173.13301	1.3
175.11176	11.5
184.07298	11.0
185.07677	2.3
193.12244	33.8
194.12608	1.9
211.13293	59.8
212.13617	2.8
229.13177	1.4
236.14935	1.6
238.05376	1.3
239.23636	2.1
255.15924	1.9
257.24835	2.6
267.15866	19.5
274.10944	1.3
285.16959	58.9
286.17313	5.4
287.18616	3.2
291.19473	2.0
311.25906	3.9
313.27347	73.9
314.27658	7.8
335.91995	1.3
465.35715	17.8
505.38782	14.0
506.39020	2.8
523.39941	100.0
524.40338	14.2
633.39050	3.9
717.03754	1.3
720.33777	2.3
720.46832	3.7
721.40460	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	720.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38850	1.1
53.03934	2.0
55.01858	3.1
55.05272	1.7
55.05511	16.6
57.03441	16.5
57.07076	37.1
58.06588	2.8
58.19307	1.3
60.08160	2.8
61.02913	4.3
65.03912	1.6
66.35016	1.1
67.05505	24.2
69.03421	3.6
69.07068	10.5
70.79283	2.1
71.04984	4.4
71.08633	24.6
73.02925	2.5
75.04459	1.6
79.05492	17.8
81.03420	36.6
81.07056	29.2
81.29766	1.4
82.03727	1.2
82.07396	1.4
83.04980	8.2
83.08619	21.7
85.02431	1.7
85.02907	18.3
85.06539	2.2
85.10183	13.9
85.48943	1.2
86.09710	11.4
87.10048	2.7
91.03960	2.1
91.05475	20.7
93.07037	12.1
95.04969	16.1
95.08602	23.8
97.02884	3.6
97.06547	3.2
97.10160	6.4
105.07025	15.4
107.04940	5.3
107.08595	5.2
109.06508	2.6
109.10168	10.4
111.08065	7.0
113.05977	2.3
119.08586	13.2
121.06531	1.3
121.10116	6.6
123.08057	3.0
123.11698	3.0
125.00014	11.1
129.07005	8.5
131.08549	7.0
133.10114	8.3
135.08046	1.8
135.11760	2.1
137.09651	1.2
144.10199	1.3
147.04385	2.7
147.08076	1.9
147.11696	7.2
149.09648	2.4
157.10118	8.5
162.11121	1.2
165.12758	1.8
175.11176	8.3
184.07343	43.7
185.07660	6.3
186.07803	4.0
193.12233	29.5
211.13280	35.9
211.15193	2.6
212.13690	2.6
236.14874	5.5
239.23645	2.6
248.45601	1.1
249.14746	1.3
257.24698	1.8
267.15921	16.1
268.16193	1.7
281.17130	1.4
285.16959	44.9
286.17334	3.2
313.27341	93.3
314.27740	6.2
337.15671	1.3
465.35818	2.4
495.29544	1.7
505.38849	17.7
506.39313	1.7
523.39917	100.0
524.40356	12.3
633.39185	10.7
634.39642	2.5
719.97888	1.3
720.48962	9.9
721.40918	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	720.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.9
54.19410	1.8
55.01869	9.0
55.05514	27.0
57.03445	15.6
57.07065	7.2
58.06585	2.5
60.08148	3.8
61.02926	5.4
65.03938	4.3
67.05505	66.4
69.03422	6.2
69.07066	32.8
70.06600	2.2
71.04990	7.6
71.08629	17.6
73.02910	4.5
79.05494	57.7
80.05833	2.3
81.03412	14.2
81.07056	60.4
83.04980	14.9
83.08615	14.4
85.02927	6.0
85.06541	5.6
85.10173	3.3
86.09695	17.7
91.03940	3.6
91.05479	73.0
92.05795	4.3
93.07043	58.2
94.07342	2.5
95.04998	12.3
95.08602	34.5
97.02869	5.3
97.06530	14.8
97.10178	5.1
98.98488	2.7
99.08092	13.0
103.05471	4.2
105.07030	42.5
107.04948	9.2
107.08607	29.0
109.06509	7.2
109.10139	12.4
111.08056	5.0
113.09624	2.3
115.05428	7.8
117.07018	43.7
119.08582	32.7
121.06492	8.9
121.10157	21.6
122.10506	2.5
123.08080	7.0
123.11676	2.9
124.99997	13.3
125.09623	3.4
127.03893	2.9
128.06209	8.4
129.05498	2.6
129.07005	25.2
131.08572	33.8
133.06509	4.3
133.10112	18.3
135.08015	11.4
135.11697	14.0
137.09628	4.6
139.07559	2.3
139.11159	4.3
141.07004	16.8
141.12770	3.6
142.07784	5.3
143.08557	18.3
145.06512	4.3
145.10110	22.2
147.08078	5.8
147.11694	8.2
149.09572	13.6
149.13278	9.3
151.11186	6.1
154.07794	3.5
155.08543	15.0
157.10118	10.7
159.08017	2.4
159.11720	14.7
161.09599	3.5
161.13248	5.8
163.11182	6.7
167.08571	5.3
168.09438	2.2
169.10118	14.3
171.11703	6.6
173.13258	8.3
177.12799	3.1
179.14398	3.0
181.10126	7.1
181.12233	2.5
183.11681	8.3
184.07341	49.4
185.09637	2.2
185.13260	9.9
187.11232	11.2
187.14827	3.9
193.10120	2.6
193.12222	2.3
195.11742	3.9
195.13794	3.9
197.13194	2.7
199.11206	3.2
199.14822	2.8
201.12755	4.5
203.14264	4.8
205.10258	2.4
209.13237	3.1
211.14877	3.3
217.15904	4.1
225.16151	2.1
227.12689	2.6
236.15082	3.7
239.18069	2.2
251.16354	2.1
255.15868	10.3
255.21237	2.6
257.19025	4.9
265.19513	2.6
267.15863	5.7
269.17511	22.7
275.20050	11.3
283.20575	9.1
285.16977	3.3
293.17499	5.0
301.21524	4.9
311.25708	2.5
313.27069	4.7
349.23770	9.2
367.24661	4.7
375.25293	2.5
467.18555	2.8
473.28943	2.8
483.51416	2.1
487.30508	6.0
495.29083	6.5
521.38342	2.7
523.39154	8.5
567.36981	3.2
623.27563	2.7
633.38885	4.8
720.39154	14.6
721.41406	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	721.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
53.57593	0.4
55.01875	1.3
55.05514	1.4
57.03444	2.2
61.02925	5.0
67.05499	2.8
69.03427	3.4
69.07073	1.7
69.83727	0.3
70.76530	0.4
71.01363	0.7
71.04990	1.1
71.30757	0.5
73.02917	3.6
79.05489	3.9
81.03424	3.0
81.07060	3.4
83.01357	0.5
83.04988	1.9
83.08641	0.7
85.02911	5.3
91.03957	2.8
91.05482	1.9
93.03632	0.4
93.07050	3.8
95.04996	1.0
95.08611	1.7
97.02905	4.7
97.06551	1.1
99.04479	1.3
101.02402	1.8
105.07050	1.8
107.04963	0.9
107.08598	2.2
109.02850	1.0
109.06568	0.6
109.10168	1.0
111.04514	0.6
111.08111	0.5
117.07024	1.3
119.08605	1.6
121.10172	1.7
122.49772	0.4
123.08059	1.1
125.09662	0.5
125.60736	0.3
127.03925	1.9
129.07011	0.5
131.08553	2.1
133.10144	0.6
135.08046	0.6
135.11716	1.0
143.08524	0.5
145.10114	2.1
147.04489	0.4
149.09639	0.6
149.13318	0.4
163.11189	2.4
173.13287	0.8
184.07425	0.6
191.14331	0.7
193.12259	0.4
203.05217	0.4
209.11720	0.7
233.47148	0.5
243.08398	2.2
275.20285	0.6
283.15460	0.6
311.19333	0.5
344.03674	0.4
467.18912	8.0
468.19287	0.7
495.22070	5.9
556.05334	0.4
721.33972	100.0
722.34381	13.3
729.43628	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23929	0.4
53.03958	0.8
53.96426	0.4
55.01874	1.0
55.05513	2.0
57.03439	3.1
57.07080	1.1
57.74054	0.4
57.94761	0.5
58.06609	0.6
60.08171	0.6
61.02932	6.5
61.18538	0.4
67.05510	4.3
67.29015	0.5
69.03425	3.3
69.07075	2.6
71.01364	0.4
71.05004	1.0
71.08649	0.8
71.28792	0.4
73.02922	4.6
79.05499	3.8
81.03423	2.3
81.07065	4.9
83.04963	0.9
83.08615	2.5
85.02914	6.2
86.09713	0.9
87.04472	0.7
91.03967	2.6
91.05505	2.4
93.07062	3.8
95.04980	1.0
95.08630	2.8
97.02896	4.0
97.06556	0.9
97.10185	1.1
98.22589	1.0
99.04478	1.3
99.08092	0.6
101.02396	2.4
105.07023	2.0
107.04980	0.7
107.08611	1.9
109.02909	1.3
109.06512	0.8
109.10159	1.4
111.08044	0.5
113.06032	1.0
117.07072	1.1
119.08590	1.4
121.10163	2.6
123.08093	0.8
123.11697	0.6
127.03972	1.5
129.07002	0.9
131.08568	1.1
135.11693	2.7
145.04951	0.5
145.10167	1.4
147.07985	0.5
149.13290	0.4
163.11220	1.4
184.07368	2.6
203.05362	0.5
236.14952	0.9
243.08444	2.6
249.10957	0.5
283.15402	0.5
287.14920	0.6
311.25912	1.0
313.27328	0.8
339.07196	0.4
427.81094	0.5
467.18893	8.4
468.19473	0.8
495.29370	5.4
549.37878	0.5
633.39172	1.2
634.39990	6.0
635.40875	0.8
721.41241	100.0
722.41278	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	722.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	1.4
53.03952	3.7
55.01872	9.3
55.05242	1.3
55.05511	25.1
57.03437	16.3
57.07074	1.1
59.05002	3.8
61.02929	4.7
65.03932	1.8
67.05505	33.1
69.03438	4.1
69.05882	3.2
69.06302	4.0
69.07075	7.4
71.01359	10.8
71.04984	4.8
73.02918	2.9
73.76158	0.9
77.03908	0.7
79.05494	29.2
81.03413	16.2
81.07055	31.8
82.07380	1.6
83.01329	5.9
83.04980	13.8
83.08617	15.5
85.02917	7.0
85.06551	1.1
91.03959	2.4
91.05482	29.5
92.05824	1.0
93.07044	32.6
94.07366	1.9
95.04974	12.7
95.08608	12.9
96.04507	0.8
96.08939	1.5
97.02911	7.2
97.06539	8.3
97.10169	6.8
99.00823	7.7
99.04461	3.5
99.08105	0.9
103.05476	1.0
105.04536	1.4
105.07027	20.5
106.07349	1.0
107.04958	10.6
107.08591	19.6
108.08876	1.1
109.02869	5.6
109.06511	8.8
109.10152	7.9
111.04427	6.8
111.08086	4.4
113.02348	0.9
115.03915	1.6
115.05449	0.9
117.07014	12.1
119.08582	13.8
121.06511	6.4
121.10140	5.6
123.04411	2.0
123.08083	5.8
123.11699	1.3
125.05978	1.6
125.09654	4.5
127.03911	2.1
128.06253	2.1
129.06982	2.6
130.07753	0.8
131.08578	4.6
133.06461	1.5
133.10123	17.2
134.10474	1.8
135.04413	1.2
135.08043	5.0
135.11694	11.1
137.05968	2.3
137.09612	2.9
139.07561	1.8
139.11200	1.1
143.08574	4.1
145.06487	1.9
145.10120	12.7
147.04388	1.0
147.08060	4.2
147.11710	1.0
149.09636	2.3
151.11168	6.5
152.11479	0.9
153.06868	0.8
153.09070	1.9
153.12750	2.2
161.09630	9.0
162.09926	1.2
163.11183	19.1
165.09070	1.5
171.08096	1.7
173.09601	4.2
179.10660	5.8
181.12244	3.8
189.09085	4.7
189.13832	2.0
191.10683	4.8
197.11749	1.9
207.10133	2.8
207.73550	0.8
208.10815	0.9
209.11749	12.5
225.11186	10.8
227.12794	6.4
230.86909	0.8
243.12167	1.9
265.14279	1.3
267.15842	1.6
281.13855	5.5
282.14310	1.3
283.15399	100.0
284.15689	7.6
285.16779	1.1
299.14890	99.7
300.15201	11.1
301.15643	4.1
317.16071	1.8
447.24014	1.2
457.26016	1.0
475.26523	2.6
489.24667	1.1
490.25842	0.9
493.27927	1.4
507.25888	89.6
508.26239	10.7
523.24792	1.3
524.25500	2.0
525.26013	6.0
673.24060	1.1
691.25189	1.8
722.24658	3.4
723.27661	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	722.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.01870	4.9
55.05271	1.1
55.05511	11.8
57.03435	9.9
59.04993	1.6
62.49738	0.6
65.03934	1.0
67.05502	14.8
69.00941	6.0
69.03422	2.5
69.07057	3.1
71.01348	0.9
71.04992	2.7
71.08508	0.6
74.54550	0.6
79.05063	1.3
79.05493	16.5
80.05790	0.7
81.03416	42.3
81.07056	14.0
82.03721	0.8
83.01336	3.0
83.04977	8.7
83.08614	13.5
85.02898	2.3
85.06567	1.2
86.89615	0.6
91.05485	14.6
93.07037	14.4
95.04972	15.2
95.08612	7.2
97.02891	2.7
97.06524	4.4
97.10154	5.8
99.04483	1.4
103.05474	1.1
105.07022	10.2
107.04949	9.9
107.08584	9.6
109.02844	1.6
109.06557	5.0
109.10149	4.6
111.04455	3.0
111.08081	5.4
117.07025	4.0
119.08579	11.0
121.06493	4.2
121.10136	6.5
123.08051	5.0
125.06036	1.0
125.09632	4.8
129.07016	5.3
131.08580	5.6
133.06500	2.9
133.10120	4.1
135.08032	2.9
135.11702	4.6
137.09616	1.5
143.08589	1.8
145.06474	1.6
145.10112	7.4
147.04401	0.9
147.08037	3.7
147.11679	4.2
149.09634	3.3
153.12746	2.3
155.08539	1.4
157.06450	1.2
157.10103	4.4
161.05995	2.9
161.09633	1.1
163.11163	10.7
164.11508	0.8
165.12776	0.9
171.08051	1.7
173.05965	0.9
173.09599	2.9
175.11192	3.8
181.12265	1.1
189.11182	1.7
191.10667	2.4
193.12248	9.7
201.12773	0.7
203.14377	0.9
205.12186	1.6
207.27980	0.8
209.11722	2.9
211.13237	1.6
213.12793	0.7
227.10918	0.7
227.12717	3.6
231.13916	1.8
235.11366	0.8
249.14919	0.9
267.15915	24.5
271.13345	1.2
273.14862	1.4
283.15387	22.9
284.15683	1.1
285.17102	1.5
287.16348	0.8
289.14328	2.9
337.21854	1.0
355.22681	2.1
365.21140	3.5
383.22119	17.1
384.22488	1.8
401.23257	6.5
419.24310	2.0
421.23785	0.9
431.23816	1.1
432.25122	0.8
439.24857	2.6
457.25830	25.0
458.26123	3.9
468.33548	0.7
471.17429	0.7
475.26886	100.0
476.27243	12.7
486.71426	0.7
493.27982	13.1
494.28247	1.8
517.27576	1.2
536.57190	0.7
554.02942	0.8
557.19641	0.8
591.33014	0.7
603.02032	0.8
641.09741	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.5033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46714	1.2
53.19130	1.3
55.05513	7.9
57.03438	6.1
57.07074	27.8
58.06595	4.1
59.04991	1.6
60.08187	1.4
61.02930	1.9
62.58271	1.3
67.05503	59.7
68.05833	1.9
69.07065	12.0
71.04995	17.8
71.08634	20.6
71.28513	2.1
72.44681	1.3
79.05514	8.0
81.03431	1.3
81.07054	23.7
83.05009	2.7
83.08614	10.9
84.45470	1.3
85.02916	4.0
85.06551	2.7
85.10175	13.7
86.09708	1.6
86.99915	1.2
88.20567	1.2
91.05495	11.3
93.07042	9.9
95.04963	2.3
95.08604	22.8
97.06525	2.4
97.10176	3.2
99.08111	1.4
105.07034	3.0
107.08604	5.1
107.69659	1.4
109.10149	58.7
111.08079	2.5
119.08555	9.6
119.43356	1.5
121.10145	2.0
123.11714	3.0
135.11674	6.1
137.09636	7.1
137.13281	1.5
142.05887	1.3
144.10236	2.0
145.10150	3.1
155.10686	2.4
163.11192	3.7
169.12202	2.8
173.11742	8.1
181.12215	1.6
184.07343	5.7
198.90569	1.5
227.66177	1.8
236.14801	10.8
239.23679	2.7
255.15948	6.7
287.18546	19.7
306.27914	1.8
313.27335	23.3
314.27716	2.9
337.27368	1.5
365.93460	1.4
467.37289	100.0
468.37698	11.1
481.38834	5.7
493.38718	4.3
525.41467	83.5
526.41888	12.1
545.25366	2.3
673.74707	1.5
722.52136	11.4
723.41858	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	722.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	9.8
55.01872	16.0
55.05511	38.9
57.03438	19.2
57.07061	11.3
58.06590	6.7
60.08158	4.6
61.02946	3.5
65.03940	8.6
67.05504	86.8
69.03412	3.1
69.07066	25.8
69.11520	5.3
69.11918	14.0
71.04990	8.7
71.08632	40.3
73.33357	2.3
79.05489	75.1
80.05846	2.9
81.03416	13.6
81.07054	87.5
82.07368	3.0
83.04987	22.5
83.08617	25.6
85.02910	7.0
85.06549	7.6
86.09705	5.7
91.05479	100.0
92.05820	4.7
93.07040	79.0
93.07626	4.6
95.04977	22.6
95.08610	47.7
97.06526	16.3
97.10173	7.0
99.08100	30.2
103.05485	8.5
105.04568	3.8
105.07027	65.4
106.07375	2.9
107.04958	8.0
107.08591	32.5
108.08927	3.4
109.06535	9.1
109.10171	16.3
111.08104	8.7
113.06014	6.8
115.05453	12.0
117.07011	52.3
117.07837	3.2
119.04937	2.5
119.08571	32.8
121.06517	8.5
121.10139	20.2
123.08080	7.5
123.11726	8.2
123.82433	2.5
125.09608	7.8
128.06239	10.7
129.05537	4.0
129.07010	36.3
131.08554	40.9
133.06496	5.8
133.10132	20.7
135.08031	18.5
135.11731	11.9
137.09660	3.3
139.07549	2.8
139.11157	15.6
141.06998	23.1
141.12708	5.1
142.07776	5.1
143.08568	22.1
145.06464	4.1
145.10104	23.0
147.08057	8.6
147.11732	12.3
149.09596	8.8
149.13264	15.4
151.11140	14.8
153.07036	4.2
153.33228	2.7
154.07774	3.7
155.08565	18.6
157.10118	18.6
159.08041	4.0
159.11618	17.5
161.09595	5.8
161.13304	7.7
163.11200	7.8
163.14903	2.9
165.12714	2.3
166.07805	4.4
167.08577	7.5
168.09357	3.3
169.10146	19.8
171.11661	14.5
173.09549	4.7
173.11891	2.6
173.13263	5.5
175.11191	7.0
175.14864	2.6
177.12869	6.2
179.08534	3.1
179.14328	4.1
181.10092	9.7
183.11726	10.8
184.07336	15.7
185.09555	4.7
185.13309	12.5
187.11188	11.3
187.14804	3.6
189.11259	2.7
189.12717	3.1
189.16400	2.8
193.10168	4.7
193.12122	3.2
195.11758	9.2
195.13835	7.2
199.11201	6.6
199.14833	8.7
201.12791	8.5
203.14362	7.7
205.15813	2.4
207.11807	3.6
209.13275	2.8
212.13661	2.8
213.12752	4.1
217.15987	4.8
236.14938	9.9
239.17830	5.4
241.19460	4.8
253.18007	2.8
257.19150	2.8
259.20627	5.1
265.19595	5.9
269.17398	34.4
270.17688	3.2
277.21655	11.9
283.20609	9.7
287.14984	4.8
293.17493	6.5
293.20859	2.5
301.21680	9.5
313.27405	8.0
314.27740	4.3
337.67972	3.1
351.25259	22.3
369.26401	3.8
375.25613	4.8
455.27966	3.0
487.30545	13.0
505.40405	2.6
523.39825	3.8
524.39569	2.9
525.40100	9.9
569.38293	10.1
617.40015	7.8
625.25531	4.0
635.41003	37.9
636.40857	5.2
654.96826	2.7
704.46948	6.8
722.47559	20.5
723.44098	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	723.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86861	0.6
55.01883	1.0
55.05528	2.0
57.03436	1.4
61.02924	4.4
64.36897	0.6
67.05512	9.3
69.03437	2.2
69.07062	3.3
73.02905	3.9
79.05494	4.0
81.03423	2.6
81.07060	4.5
83.08639	1.1
84.72923	0.6
85.02923	4.1
91.03976	3.1
91.05505	3.0
93.07057	2.9
95.04980	1.3
95.08612	1.6
97.02904	3.3
97.06545	0.8
99.04440	0.9
101.02412	1.5
105.07070	2.4
106.11089	0.6
107.04980	0.7
107.08624	1.8
109.10155	5.8
111.08138	0.7
111.73338	0.6
117.07040	1.2
119.08627	1.3
121.10194	1.2
123.08150	0.9
127.03973	2.1
131.08623	1.3
133.10172	1.4
145.10123	0.9
173.11783	1.8
183.50734	0.7
184.07394	1.1
185.04160	0.9
187.98276	0.6
204.70195	0.7
209.56703	0.6
222.51976	0.6
228.94110	0.9
229.14323	1.0
243.08496	2.4
272.97110	0.7
333.20428	1.0
367.24072	0.8
413.17752	8.1
551.28485	4.8
691.23383	0.9
723.39221	100.0
724.39606	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	723.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93223	0.2
53.03937	0.4
55.01865	0.7
55.05518	1.5
56.59372	0.2
57.03439	2.0
57.07074	2.9
58.06593	0.6
59.05001	0.3
61.02924	4.9
67.05505	1.8
68.99776	0.5
69.00174	1.9
69.03428	2.4
69.07071	1.2
71.01344	0.5
71.05003	0.6
71.08636	2.2
73.02918	3.7
75.04494	0.3
78.23257	0.2
79.05494	1.6
81.03418	2.1
81.07053	2.7
83.01362	0.4
83.04971	0.8
83.08611	1.4
85.02908	5.1
85.06530	0.3
85.10193	1.6
87.04481	0.7
91.03960	3.2
91.05491	1.2
93.07021	1.5
95.04972	0.7
95.08614	2.5
97.01974	0.3
97.02895	4.3
97.10178	0.7
98.23452	0.4
99.04458	0.8
101.02374	2.0
103.03999	0.3
105.07027	0.5
107.04944	0.6
107.08591	1.0
109.02879	0.9
109.06557	0.3
109.10189	1.0
115.03943	0.6
117.07013	0.6
118.46996	0.3
119.08601	0.7
121.10126	0.5
123.11724	0.7
127.03895	1.2
133.10223	0.4
135.11732	1.1
144.10257	0.3
145.10133	1.3
163.11174	1.8
169.63158	0.3
173.09726	0.4
182.76186	0.2
184.07483	0.3
185.04237	0.7
203.05292	0.3
207.84293	0.3
209.11740	0.4
224.97330	0.3
236.14888	1.2
239.02666	0.3
243.08476	1.8
249.10989	0.5
283.15396	0.4
291.19662	0.3
313.27423	0.9
331.51132	0.3
416.30356	0.3
467.18918	8.2
468.19183	0.6
497.30786	4.7
498.31253	0.4
505.89917	0.3
723.42816	100.0
724.43091	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	723.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94281	0.3
53.03946	0.8
55.01872	0.5
55.05516	1.5
56.92707	0.3
57.03439	2.4
57.07083	4.5
58.06611	0.4
59.30227	0.3
61.02932	7.7
61.34332	0.3
62.60564	0.3
67.05506	2.9
67.34425	0.3
69.03430	3.5
69.07087	1.5
69.74955	0.4
69.75303	1.2
71.01350	0.5
71.04971	0.7
71.08633	4.0
73.02919	4.8
79.05492	1.1
81.03423	1.8
81.07059	3.1
83.04987	0.7
83.08620	2.4
85.02915	6.9
85.06525	0.5
85.10192	2.5
86.47207	0.3
87.04515	0.3
90.09090	0.3
91.03960	3.6
91.05496	1.7
93.07035	1.6
95.08615	4.3
97.02900	5.3
97.06538	0.3
97.10188	0.8
99.04489	0.8
101.02396	1.4
103.03957	0.5
105.07072	0.8
107.04968	0.5
107.08633	0.8
109.02907	0.7
109.06536	0.5
109.10173	1.5
115.03967	0.4
117.07032	0.7
119.08589	0.8
121.10176	0.7
122.40064	0.3
123.08102	0.4
123.11668	0.4
127.03197	0.3
127.03938	1.8
131.08575	0.4
133.10172	1.2
135.11641	0.6
135.47136	0.3
145.10202	0.6
147.06573	0.4
163.11185	1.2
173.09610	0.4
185.04295	0.5
199.56325	0.3
236.15056	0.8
243.08469	2.0
249.11026	0.6
262.89606	0.3
294.21246	0.4
313.27438	1.4
334.33990	0.3
339.09183	0.3
467.18857	3.7
468.19446	0.4
497.30841	8.6
498.31329	1.0
723.42877	100.0
724.43164	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	723.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.8
53.86724	0.5
55.05509	3.1
57.03432	2.4
57.07072	0.8
58.06604	2.5
58.73862	0.4
59.07387	0.6
59.12626	0.5
60.08158	2.1
61.02927	6.0
67.05505	4.2
69.03430	3.3
69.07076	3.1
71.05007	1.2
71.07375	1.0
73.02916	3.7
79.05490	3.6
81.03411	3.8
81.07053	5.2
83.04958	0.7
83.08626	2.7
85.02906	7.0
86.09721	4.3
87.10062	0.5
91.03943	2.8
91.05470	2.8
91.37231	0.5
93.07044	3.4
95.04982	1.4
95.08615	3.4
97.02889	4.5
97.06525	0.5
97.10150	0.7
98.98497	0.5
101.02369	2.0
105.07036	2.2
107.04958	0.8
107.08604	1.3
109.02860	0.6
109.06477	0.8
109.10167	1.1
111.08086	0.6
115.03910	0.6
119.08578	1.7
121.10152	2.0
123.08014	0.6
123.11739	0.7
125.00005	2.7
127.03922	1.3
131.08553	0.7
133.10118	0.9
135.11678	1.1
144.10216	1.1
145.05020	0.5
147.11598	1.0
149.09662	0.9
153.12865	0.5
161.13417	0.6
184.07341	12.4
185.07698	1.8
193.12242	1.1
211.13243	0.6
228.98743	0.5
236.14890	5.8
237.15347	0.6
243.08411	1.9
244.60872	0.5
251.12495	0.9
304.54294	0.5
311.25748	0.8
469.20480	7.7
495.29312	4.5
637.42804	1.9
706.47827	0.9
723.42657	100.0
724.42474	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	724.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90313	0.6
53.03943	1.7
55.01870	9.1
55.05509	11.1
57.03188	1.2
57.03439	8.8
59.04996	1.5
60.05647	1.3
61.02917	3.2
65.03941	1.4
67.05501	25.7
69.03422	3.2
69.07072	4.9
70.45885	1.4
71.04994	5.1
73.02921	1.2
79.05489	21.0
80.05827	0.8
81.03414	13.2
81.07053	20.8
83.01347	2.8
83.04976	23.4
83.08612	7.9
84.97253	0.8
85.02905	8.6
85.06535	2.6
87.04472	0.7
91.03954	0.7
91.05476	20.6
91.06012	1.4
93.07041	25.2
95.04966	8.6
95.08607	10.4
97.02885	5.6
97.06519	9.1
97.10165	2.1
99.04476	3.7
99.08096	1.0
101.02380	0.9
105.04504	0.8
105.07024	9.0
107.04966	9.0
107.08591	17.6
109.02869	1.6
109.06530	4.2
109.10149	10.4
111.04436	43.9
111.08075	12.6
112.04778	0.9
113.06032	1.1
115.05437	1.0
117.07027	7.6
119.08578	10.7
121.06484	2.9
121.10143	14.4
123.04473	1.4
123.08054	3.2
123.11670	1.0
125.05984	2.9
125.09622	2.2
127.03890	1.8
128.06224	1.0
129.06992	4.6
130.04964	0.7
130.07758	1.1
131.08582	8.1
133.10144	5.7
135.08026	6.1
135.11684	16.4
137.05945	1.1
137.09616	1.5
139.07553	0.9
143.08514	1.2
145.05026	0.7
145.06442	1.5
145.10112	17.3
145.11250	1.0
147.08023	2.2
147.11688	5.9
149.09642	5.4
150.91827	0.8
151.11188	1.3
153.12737	22.8
155.08569	1.8
157.10103	2.5
161.09604	1.6
163.03798	0.9
163.07559	1.7
163.11179	36.7
164.11549	1.8
165.09171	0.8
173.09605	8.5
175.11192	2.4
176.34456	0.7
179.10661	1.0
181.12222	32.2
182.12543	1.1
189.08971	0.8
189.13875	0.9
190.14113	1.3
191.10654	24.9
192.11012	0.9
193.12177	3.5
209.11723	17.8
209.13571	1.5
210.11975	0.8
211.13260	4.0
225.11252	0.9
227.12770	28.0
228.13074	1.7
241.14395	0.9
255.12268	2.9
265.14304	1.4
267.15927	7.0
268.15836	0.8
281.13834	1.0
283.15390	100.0
284.15726	7.9
285.17032	4.7
299.14807	2.6
301.16425	26.2
302.16928	1.3
367.44540	0.8
405.58743	0.8
445.21771	1.2
449.25391	1.1
459.27353	2.4
463.23184	3.1
473.25369	1.4
477.28394	2.6
479.46448	0.9
491.26392	12.9
492.26559	1.4
495.24899	1.4
495.30396	1.1
509.27405	60.5
510.27814	6.5
527.28473	20.5
528.28717	2.7
531.33362	0.7
692.25391	1.6
693.30847	1.7
724.27435	2.9
725.33759	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	724.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
55.01873	10.1
55.05513	26.4
56.27662	1.3
57.03442	19.6
57.07085	2.1
59.05008	3.2
61.02921	4.0
65.03944	2.2
67.05505	38.9
69.03432	7.3
69.07069	11.7
70.33440	2.8
70.33761	1.6
71.01356	3.3
71.05013	6.6
73.02923	3.3
79.05498	40.6
81.03419	20.4
81.07061	36.9
81.07535	2.5
83.01324	6.5
83.04984	19.0
83.08636	13.3
85.02911	11.1
85.06563	3.1
91.03983	2.6
91.05483	34.7
93.07047	42.2
94.07373	1.4
95.04979	15.6
95.08600	15.9
97.02894	13.0
97.06533	10.6
97.10176	4.9
99.04446	4.3
99.08138	1.4
103.05453	1.9
103.31294	1.1
105.07034	19.3
107.04958	16.8
107.08600	21.4
108.08887	2.2
109.02853	1.8
109.06528	10.3
109.10169	10.3
111.04442	23.3
111.08092	5.0
113.05959	1.4
115.05492	1.3
117.07015	15.0
119.08585	16.1
121.06503	6.5
121.10147	25.3
123.04465	2.0
123.08082	9.2
123.11727	3.1
125.06013	3.9
125.09608	3.3
127.03885	2.4
128.06261	1.5
129.06976	5.9
130.07794	2.0
131.08578	11.9
133.10126	11.6
135.08060	7.3
135.11690	19.8
137.09624	3.6
139.11198	3.0
141.69569	1.4
143.08577	2.3
145.06454	3.2
145.10123	21.3
147.08055	5.5
147.11708	3.0
149.09598	7.3
151.11221	3.1
153.12740	5.4
155.08621	3.9
157.10139	1.2
161.09610	2.9
163.07489	1.9
163.11194	29.1
167.10696	2.7
173.09622	8.2
173.11745	1.9
175.11226	2.1
181.12259	8.2
191.10686	12.0
193.12296	3.0
209.11739	71.5
210.12050	3.6
211.13246	2.4
225.11224	1.9
227.12781	25.7
228.13164	1.6
229.14372	2.9
241.14412	3.8
246.85461	1.3
255.12375	1.7
255.15973	1.8
265.14346	3.9
267.15872	7.0
283.15402	100.0
284.15817	7.2
285.17093	2.4
299.14847	5.7
301.16467	42.6
302.16736	2.0
311.14914	2.7
449.25220	5.3
459.27509	2.3
463.22781	1.7
473.25430	7.7
491.26376	40.1
492.26749	4.5
495.25830	1.3
509.27481	60.8
510.27811	8.6
527.28381	2.3
538.81989	1.5
692.25616	2.0
693.30066	1.8
724.27246	3.5
725.33575	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	724.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.0
55.01873	10.3
55.05271	2.2
55.05515	27.4
57.03196	2.2
57.03437	23.6
59.05006	2.1
60.05639	2.6
60.09472	1.3
61.02910	4.9
65.03948	3.4
67.05505	50.0
68.05844	1.5
69.03424	8.5
69.07066	10.8
70.71256	1.2
71.01356	2.7
71.05000	7.8
73.02919	3.0
73.06538	1.5
79.05491	46.4
81.03417	100.0
81.07053	42.4
83.01345	4.1
83.04981	21.3
83.08154	1.8
83.08622	32.1
85.02908	18.8
85.06544	2.4
87.04449	2.4
91.05481	47.3
92.05827	1.5
93.07039	44.1
94.07352	2.3
95.04971	33.0
95.08598	18.2
97.02888	10.9
97.06537	10.8
97.10166	8.4
99.04437	4.5
99.08040	1.5
100.90903	1.4
101.34496	1.4
103.05457	1.4
105.04580	1.7
105.06374	2.5
105.07030	27.9
107.04951	20.2
107.08595	23.5
109.02841	3.2
109.06522	9.9
109.10155	12.8
111.04462	12.2
111.08065	9.9
113.05923	2.9
115.05473	2.5
117.07024	13.9
119.04831	2.0
119.08582	27.4
121.06506	8.1
121.10138	16.8
121.40456	1.6
122.10467	1.8
123.08070	8.6
123.11722	2.9
125.05943	2.8
125.09606	7.6
127.03920	2.2
128.06096	2.4
129.06995	13.1
131.04889	2.2
131.08577	16.2
133.06490	3.2
133.10141	13.8
135.08038	9.8
135.11681	14.1
137.09660	3.7
142.07747	2.7
143.08513	3.1
145.06468	7.4
145.10103	19.2
147.08075	6.9
147.11705	13.0
149.09680	7.0
151.11165	2.2
151.68378	1.6
153.09100	2.1
153.12737	5.0
155.08543	4.0
157.10144	13.7
161.05891	1.7
163.07555	4.6
163.11169	26.9
164.11514	2.2
165.12799	2.6
167.10680	1.8
173.09665	7.5
173.11743	3.8
175.11230	9.9
176.13551	1.8
181.12236	3.3
191.10712	8.8
193.12234	33.0
194.12613	1.8
199.13312	2.0
209.11708	25.6
211.13307	15.6
227.12747	15.5
229.14297	9.4
249.14893	2.5
265.14301	1.9
267.15909	98.5
268.16287	6.4
273.14807	3.5
283.15408	98.4
284.15552	8.7
285.16989	14.5
286.17212	2.0
299.14902	6.6
301.16397	12.9
316.33588	1.4
349.21536	2.3
367.22757	8.7
368.22726	2.2
385.23782	9.8
403.24680	2.2
433.25885	11.3
434.25739	1.9
437.25323	3.1
441.26144	6.4
442.26730	1.7
459.27441	62.5
460.27701	6.7
463.23004	5.4
473.25198	3.6
477.28479	36.8
478.28607	4.4
491.19739	2.5
491.26328	37.6
492.26370	5.6
495.25623	1.7
509.27380	26.7
510.27618	3.0
527.28247	4.4
531.13599	1.5
693.31555	2.5
724.28381	6.7
725.33893	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	724.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00259	0.5
53.03924	0.5
55.01835	0.8
55.05512	4.0
57.03435	4.4
57.07065	0.9
58.06602	33.4
58.06874	1.6
59.07384	8.8
60.08165	9.4
63.54533	0.4
63.86531	0.5
67.05508	6.2
69.07082	4.1
70.80766	1.0
71.08588	1.3
72.14901	0.4
73.02891	0.8
75.04488	2.1
75.04861	0.5
79.05499	3.6
81.03377	1.2
81.07056	6.3
83.04936	1.1
83.08627	2.9
84.08126	1.1
85.02904	2.1
85.06492	0.6
87.04475	3.3
91.05483	3.8
93.07035	3.9
95.04930	1.1
95.08614	2.7
95.68983	0.7
97.02865	0.6
97.06487	1.4
97.10130	1.1
99.00807	2.2
100.11238	0.4
102.05524	0.7
105.05468	0.9
105.07049	2.9
107.04892	0.9
107.08618	2.1
109.02820	0.7
109.06485	0.7
109.10137	1.5
113.05975	1.5
117.06960	0.5
119.08532	1.9
121.06458	1.0
121.10083	1.3
130.08606	0.5
131.06995	1.4
131.08528	1.4
133.10135	4.2
135.11690	0.9
144.09116	0.8
144.10197	14.1
151.11142	1.3
157.10115	0.6
161.09584	1.7
162.11270	4.7
172.99503	0.5
174.13553	0.5
179.10663	0.6
184.07300	0.9
189.09073	0.8
195.31445	0.4
218.13815	1.5
227.12891	0.5
236.14923	86.0
237.15250	3.1
241.11769	0.5
299.14789	0.7
313.27496	0.8
398.25616	0.9
442.24316	6.9
460.25415	20.4
461.25955	1.7
482.38455	2.7
483.39297	0.5
500.39532	4.9
527.37592	1.1
535.36383	0.6
637.41681	1.0
724.50043	100.0
725.50702	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	724.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40954	0.4
51.16808	0.3
53.00276	0.4
53.03931	0.7
53.44760	0.4
55.01835	1.3
55.05511	4.6
57.03436	3.8
57.07036	1.3
58.06600	37.9
58.07013	1.2
59.04973	0.4
59.07380	10.1
59.15377	0.4
60.08164	9.2
62.39345	0.3
65.03895	0.3
67.05507	4.6
69.03405	0.3
69.07067	3.9
69.08941	2.0
69.09339	1.0
71.01337	0.4
71.04949	0.5
71.08598	0.8
73.02879	0.9
75.04485	2.6
75.69242	0.3
79.05499	2.9
81.03398	0.6
81.07055	5.2
83.04953	0.9
83.08631	2.7
84.08113	0.6
85.02909	3.0
85.06522	0.5
85.10173	0.4
86.09703	0.5
87.04003	0.4
87.04459	3.7
91.05489	3.0
93.07048	3.6
95.04922	1.2
95.08604	4.0
97.02841	0.7
97.06505	0.8
97.10117	1.5
99.00822	1.9
100.11208	0.8
102.05482	0.4
103.03864	0.5
105.05467	0.5
105.07011	2.6
107.04930	0.6
107.08613	1.8
109.02855	1.4
109.10168	1.8
111.11732	0.4
113.05940	1.5
117.07021	0.7
119.08525	1.1
121.06477	0.7
121.10101	1.3
121.73854	0.4
123.11662	0.5
128.06206	0.4
131.07001	1.5
131.08521	0.6
133.10114	3.1
135.11662	1.1
144.10191	15.0
145.10272	0.5
149.13304	0.5
151.11151	0.7
159.11774	0.5
161.09587	0.8
162.11261	5.3
163.11305	0.6
179.10750	0.5
184.07257	0.6
187.14737	0.5
189.09097	0.7
198.28329	0.4
200.12833	0.8
218.13875	1.2
222.63280	0.5
223.78099	0.4
225.11211	0.5
236.14915	93.4
237.15228	3.5
339.29095	0.7
375.68951	0.4
438.39780	1.0
442.24249	4.1
459.91379	0.4
460.25381	8.6
460.31537	0.7
461.25720	0.6
482.38327	4.4
483.38657	0.6
500.39465	12.3
501.39844	1.4
535.36145	0.8
637.41644	1.7
671.71295	0.4
706.49170	0.9
724.49927	100.0
725.50806	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	724.5347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	7.7
55.05521	42.6
57.03430	17.1
57.07062	13.9
58.06602	30.4
62.92488	5.4
67.05508	89.3
69.07062	27.0
71.05003	8.4
71.08632	34.6
71.28938	9.3
79.05492	82.0
81.03413	13.9
81.07059	100.0
81.11337	5.6
83.04971	17.4
83.08624	23.0
88.07633	6.7
91.05478	94.6
93.07047	82.7
95.04977	26.1
95.08595	59.6
97.06533	16.8
97.10171	9.5
99.08106	25.0
105.07016	48.5
107.04949	7.8
107.08591	37.7
109.10165	17.7
111.08092	6.5
117.06981	31.8
119.08578	34.8
121.10104	14.0
123.08074	7.4
123.11704	7.7
125.09553	7.3
128.06232	6.8
129.07036	20.5
131.08572	36.5
133.10143	28.1
135.08017	9.7
135.11711	14.7
137.09567	6.3
139.11182	14.3
141.06970	6.1
143.08545	10.9
144.10213	19.2
145.10126	23.5
147.11688	13.0
149.13300	21.8
151.11180	18.7
155.08548	9.4
157.10135	12.2
159.07999	8.7
159.11705	15.5
161.13271	10.4
162.11349	7.9
171.11687	23.3
173.13345	7.3
175.14763	7.1
177.12732	16.6
185.13264	10.6
187.14874	8.2
195.13699	8.1
197.13483	8.2
202.22902	6.1
203.14507	6.9
236.14909	78.2
259.20575	12.5
269.17377	27.2
277.21640	6.4
285.22141	11.8
295.19281	9.5
303.23096	15.3
318.50107	7.8
336.61884	7.7
351.25180	20.0
386.48328	7.3
460.25455	8.5
473.32162	7.2
489.32129	23.3
490.32568	8.2
571.39679	20.4
692.50208	11.2
724.51337	83.4
725.44458	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01870	2.0
55.05514	2.6
57.03436	2.7
60.58772	0.5
61.02929	6.9
65.83450	0.4
67.05506	5.9
69.03429	3.9
69.06999	1.6
69.07363	3.4
71.01344	0.7
71.04984	1.2
73.02919	3.7
77.68749	0.5
79.05492	7.7
81.03426	5.0
81.07058	6.6
83.01331	0.6
83.04982	2.1
83.08636	2.1
85.02901	7.0
91.03954	3.9
91.05476	5.9
93.07040	7.4
95.04977	1.9
95.08601	3.8
97.02883	5.4
97.06534	2.4
97.10184	0.6
98.23309	1.0
99.04433	1.1
101.02394	1.5
105.07036	3.7
107.04962	2.4
107.08599	3.7
109.02937	1.0
109.06535	1.4
109.10163	1.3
111.04449	1.4
111.08099	0.6
113.05995	0.5
113.76891	0.4
115.09232	0.5
117.07008	2.3
119.08611	3.5
121.10171	3.2
123.08075	1.0
125.05955	0.6
127.03934	2.3
127.67116	0.5
128.06227	0.6
129.07024	1.1
131.08586	2.7
133.10167	2.0
135.08112	0.7
135.11707	3.1
143.08536	0.5
145.10130	3.8
147.11731	1.3
149.09660	1.0
149.13226	0.8
155.08597	0.5
155.94879	0.5
157.10143	0.6
159.11703	1.2
159.80850	0.5
163.06062	0.7
163.11177	4.4
165.09209	0.7
169.10062	0.5
169.75067	0.5
171.11771	0.6
173.13210	0.6
181.12260	0.7
191.10724	1.0
199.14960	0.5
209.11798	0.7
223.13234	1.2
227.12735	0.8
241.14398	0.6
241.19412	0.6
243.08492	2.1
249.10963	1.0
259.20602	1.1
269.17499	3.1
275.20282	0.8
281.13486	3.2
283.15518	1.5
349.23828	1.0
351.25198	3.5
367.72040	0.5
414.22455	0.5
467.18835	8.5
468.18936	0.6
499.21515	6.7
664.62482	0.6
693.31451	2.6
694.30829	0.6
725.33502	100.0
726.33972	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	725.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
55.01876	1.2
55.05516	2.7
57.03442	2.3
57.89445	0.5
61.02922	8.2
65.03963	0.6
67.05505	5.5
69.03424	4.2
69.07069	1.9
71.05001	1.1
71.29054	0.8
73.02906	4.0
79.05495	5.9
81.03413	5.2
81.07055	5.2
83.04977	1.8
83.08626	1.0
85.02900	7.7
91.03959	4.3
91.05500	5.1
93.07038	6.2
95.04979	2.7
95.08621	2.3
97.02895	6.2
97.06525	1.7
97.10148	0.9
99.04475	2.0
101.02413	2.1
103.05434	1.0
105.07047	3.5
107.04971	3.1
107.08581	3.5
109.02899	1.5
109.06551	1.0
109.10155	1.2
111.04481	1.6
111.08105	0.9
117.07055	2.2
119.08573	3.6
121.06523	0.9
121.10150	2.7
123.08083	1.3
127.03970	1.5
129.07050	0.9
131.08611	1.8
133.10155	1.3
135.08087	0.8
135.11681	3.3
143.08636	0.9
145.06505	0.7
145.10092	3.1
147.11700	1.3
149.09633	1.4
149.13377	0.8
159.11778	1.0
163.11195	5.2
164.11636	0.7
173.09647	1.2
176.26418	0.6
183.11783	0.8
185.04318	0.8
191.10693	1.5
195.13715	0.6
209.11835	1.7
243.08490	2.5
249.11095	1.9
269.17654	0.6
281.13574	0.9
283.15543	1.8
305.13535	0.7
351.25226	1.3
439.19125	0.8
467.18866	14.6
468.19235	1.8
481.20798	1.4
499.21643	3.2
556.08875	0.7
693.30878	21.0
694.31396	2.1
707.32269	6.4
708.33209	1.2
725.33484	100.0
726.33826	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.01873	0.8
55.05508	2.8
56.78556	0.6
57.03445	2.9
57.07071	2.4
58.06596	4.4
59.07393	0.8
60.08157	0.9
61.02933	4.2
67.05506	9.4
69.03434	3.2
69.07072	3.4
71.04984	1.7
71.08630	2.2
73.02917	2.7
79.05489	5.3
81.03420	3.3
81.07054	9.1
83.04999	1.2
83.08626	3.4
85.02907	5.4
85.10179	0.7
86.09668	0.7
91.03959	3.5
91.05484	5.2
93.07047	5.7
95.04964	1.0
95.08035	1.0
95.08600	6.8
97.02889	4.4
97.06533	1.5
97.10185	1.8
98.22550	1.5
99.04468	1.3
99.08092	1.0
101.02373	1.0
105.07035	3.1
107.08593	2.6
109.06528	1.1
109.10158	2.8
111.08078	1.3
117.06993	1.2
119.08571	2.6
121.06548	0.7
121.10155	2.6
127.03905	2.1
129.07054	0.8
131.08591	2.0
133.10165	2.1
135.11729	1.4
137.09656	1.1
144.10208	1.6
145.10158	0.7
147.11662	0.8
149.13255	1.4
184.07397	1.9
185.04321	0.8
193.12225	0.7
194.55412	0.6
236.14946	7.1
237.15404	0.8
243.08443	2.5
251.12563	0.8
269.17480	2.8
313.27231	0.8
335.25809	1.6
336.20361	0.8
469.20328	6.1
471.22287	1.1
497.30847	3.0
501.39771	0.9
529.38989	3.6
606.27960	1.0
608.82172	0.7
628.84253	0.7
708.50232	1.1
725.44232	100.0
726.44196	14.6
727.11896	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.9
55.01872	4.7
55.05509	16.4
56.84496	2.0
57.03448	15.6
60.32562	2.2
61.02934	20.6
61.18503	2.2
65.03942	5.4
67.05509	42.5
69.03426	10.9
69.07064	15.1
71.04995	4.2
71.29202	3.3
73.02926	9.7
75.04467	2.1
77.12207	2.2
77.65179	2.2
78.23199	2.1
79.05495	38.3
81.03400	11.7
81.07053	37.1
83.04987	11.4
83.08632	10.1
85.02903	27.5
91.03954	15.4
91.05482	40.4
93.07047	46.7
95.04982	10.7
95.08616	21.2
97.02895	23.4
97.06558	9.1
97.10192	2.9
99.04508	4.3
103.03966	4.2
105.07030	33.4
107.04948	4.8
107.08606	24.6
108.93269	2.4
109.06539	4.9
109.10169	32.9
111.04474	4.6
111.08101	4.8
117.07030	14.2
119.08598	30.8
121.10146	21.5
123.08035	3.2
123.11773	2.6
125.09647	3.7
127.03943	9.3
129.05508	2.8
129.07037	5.9
131.08582	14.1
133.10161	22.9
135.08070	5.7
135.11682	17.1
137.09633	4.0
143.08620	6.9
145.04965	6.4
145.10083	13.8
147.08089	2.7
147.11702	23.4
149.09654	5.6
149.13264	11.3
157.10193	5.7
159.08141	2.6
159.11745	12.8
161.09630	2.7
161.13245	12.1
163.06010	7.1
163.11258	6.9
166.50203	2.1
169.10260	3.3
171.11749	10.0
173.11780	11.5
173.13290	6.1
175.14830	3.3
177.12773	3.2
181.12447	2.6
185.13348	2.4
195.13892	4.0
199.07512	2.9
199.14915	3.8
210.07668	4.4
227.13055	3.0
229.14348	38.6
241.19569	10.0
253.14561	2.7
257.18985	2.8
259.20596	23.9
269.17444	16.7
275.20255	11.2
277.21786	5.5
283.15384	4.8
299.15277	2.4
333.24152	5.4
349.23907	7.7
351.25299	49.4
351.29285	3.7
352.25870	5.8
441.26569	3.2
468.19397	4.5
495.29727	5.3
607.53918	2.6
655.27026	7.0
680.30927	2.9
694.31030	6.8
709.28485	3.1
722.44153	2.7
726.33893	100.0
727.28668	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	726.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.0
55.01871	11.9
55.05532	10.8
55.27171	2.2
55.68714	2.0
57.03434	16.5
59.04998	2.1
65.03947	2.0
67.05502	19.9
69.03432	4.5
69.07071	24.2
69.30591	8.9
69.30996	4.1
79.05492	37.2
81.03410	10.2
81.07053	28.9
83.01351	4.8
83.04974	10.7
83.08611	10.7
85.02936	3.3
85.06552	3.4
86.09724	13.3
87.00273	2.2
91.05485	43.4
91.06020	3.9
93.07045	28.9
95.04990	5.9
95.08612	13.7
97.02873	2.8
97.06538	9.5
99.11856	2.1
105.07030	19.0
107.04953	12.2
107.08588	19.4
109.06525	15.1
113.06912	2.1
115.05477	3.5
117.07018	20.2
119.08584	15.5
121.06522	3.5
121.10174	13.2
123.08053	7.0
125.05939	2.0
125.09657	3.9
129.07022	7.1
131.08569	26.5
133.06464	3.3
133.10123	9.6
135.08052	33.1
135.11685	7.4
143.08572	3.9
145.10161	14.0
147.08051	2.4
147.11751	6.9
149.09630	17.1
151.11108	3.2
157.10135	6.4
161.09636	2.6
161.13412	2.1
163.11182	12.7
169.10110	3.0
171.10225	4.8
171.11623	2.8
173.09579	4.3
173.13298	15.3
175.11206	9.2
177.09088	2.0
183.10129	5.0
184.07407	6.8
191.14317	75.6
191.16011	4.4
192.14639	3.2
201.16412	2.5
219.17361	2.6
227.12849	2.7
229.15938	5.9
236.14946	2.9
247.16965	12.9
247.32240	2.4
255.12170	3.3
265.17911	4.1
283.15387	27.9
311.93710	2.6
321.20596	57.5
322.20917	4.5
511.30475	3.1
529.31567	100.0
530.32184	11.6
726.40851	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	726.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	1.0
53.03943	4.3
55.01873	19.1
55.05511	10.7
57.03438	7.7
58.36001	1.0
58.55966	0.9
59.04999	1.3
65.03942	2.1
67.05504	22.4
68.05856	1.3
69.03426	1.3
69.07068	77.9
69.95419	0.9
70.08814	3.1
71.01369	1.5
71.04980	3.4
79.05488	30.0
81.03421	11.5
81.07053	32.6
82.07399	1.1
83.01344	4.8
83.04983	10.6
83.08614	6.8
85.02905	2.5
85.06549	1.8
87.22941	1.0
91.05479	33.5
93.07041	29.8
95.01340	3.7
95.04970	9.6
95.08595	9.2
97.02917	2.6
97.06530	22.3
97.10187	1.3
99.04431	1.6
105.04507	1.4
105.06371	2.1
105.07024	16.4
107.04952	28.5
107.08594	18.9
109.06515	24.9
109.10159	4.6
110.06762	1.0
111.04417	2.6
111.08057	1.9
115.05435	1.6
117.07006	10.2
119.08580	9.9
121.06524	3.3
121.10139	16.5
122.10558	1.3
123.08102	5.9
125.05978	1.9
125.09641	2.2
128.06219	1.3
129.07010	2.9
131.04918	1.7
131.08559	21.9
133.06470	4.1
133.10155	12.6
135.08073	10.4
135.11678	6.4
137.09602	3.4
141.07065	1.5
143.08536	1.8
145.06516	1.8
145.10120	13.5
147.08055	4.0
147.11703	3.1
149.02332	1.1
149.09608	34.2
151.11177	15.8
152.77130	1.0
153.12749	1.2
155.08531	2.1
157.10135	1.1
159.08067	4.5
159.11745	1.7
160.80733	0.9
160.92778	1.0
161.09621	2.6
163.11183	16.3
165.09102	2.3
169.10161	1.5
171.10188	4.7
173.09642	2.6
173.13272	1.2
175.11398	1.0
177.09100	5.2
181.12270	2.8
183.10159	7.4
184.07394	2.0
187.11194	2.5
191.10594	3.3
195.10188	2.5
201.16380	4.3
209.11774	2.4
219.17485	4.0
227.12753	1.8
229.15953	4.1
239.12761	1.2
247.16922	12.7
251.12711	2.0
255.12270	1.1
265.18015	3.4
279.63260	1.3
283.15399	67.2
284.15775	3.6
291.19492	2.7
303.19769	1.5
321.20596	34.4
322.20883	2.9
379.21133	16.5
380.21381	1.4
391.21094	13.9
511.30548	3.5
529.31567	100.0
530.31989	13.6
547.31952	1.9
570.94513	1.2
672.62146	1.2
694.24219	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.2
55.01885	13.1
55.05511	16.6
57.03443	12.2
60.08176	4.7
65.19423	3.8
67.05505	40.4
69.07075	20.0
71.04983	6.4
71.08615	4.2
71.30175	6.0
79.05490	71.3
81.03416	14.3
81.07057	62.4
83.04975	10.4
83.08590	5.8
86.09711	25.9
91.05485	82.2
91.06021	6.7
93.07038	53.1
95.04987	8.9
95.08620	20.4
97.06550	14.8
97.10146	3.5
99.04498	3.8
103.05460	4.5
105.07040	56.4
107.04966	15.8
107.08585	38.5
109.02976	3.9
109.06547	10.5
109.10171	14.4
111.04496	4.3
111.08082	3.8
117.07033	47.7
119.08573	37.5
119.55573	3.7
121.06499	4.1
121.10152	16.9
123.08081	5.9
124.99983	22.7
125.06003	4.1
127.03870	3.2
129.06975	3.9
131.08560	33.0
133.10114	36.2
135.08057	35.1
135.11710	10.3
143.08528	4.9
144.39444	3.7
145.10117	26.0
147.11723	9.4
149.09621	27.5
159.08044	3.9
159.11678	18.8
161.13249	4.1
163.11214	11.7
169.10202	6.8
173.09528	4.4
173.11862	4.6
173.13306	8.9
175.14920	3.9
179.14406	3.6
181.12238	4.9
184.07356	85.4
187.11110	4.5
191.10645	4.7
201.16397	21.8
203.17975	7.2
209.11752	6.5
229.15912	9.8
247.16861	5.9
255.12253	66.1
256.12549	4.5
260.70288	4.0
275.20004	39.0
276.20383	4.1
283.15384	37.5
321.20630	15.1
327.14413	6.3
344.82874	3.8
349.23715	19.8
420.49292	3.9
442.35947	4.3
485.40424	3.9
511.30231	5.3
529.31549	100.0
530.31848	19.6
726.39929	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	726.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.8
55.01881	6.3
55.05513	45.6
57.03434	24.2
57.07074	5.3
58.06615	3.8
60.08168	7.6
61.02929	9.9
63.81073	3.1
65.03957	4.6
65.32296	3.2
67.05505	96.6
68.05841	4.1
69.03436	9.4
69.07069	24.8
71.00967	3.5
71.04995	5.9
71.29517	2.9
73.02927	3.7
79.05495	98.0
81.03437	15.8
81.07057	77.0
82.07398	3.3
83.04980	9.1
83.08620	24.0
85.02908	11.2
85.06552	7.7
86.09716	19.3
91.03951	3.4
91.05480	54.6
91.06014	4.9
93.07047	100.0
94.07346	3.9
95.04950	28.0
95.08607	46.9
97.02900	10.2
97.06554	7.3
97.10168	13.7
99.08105	4.7
105.07021	34.8
107.04964	8.2
107.08599	41.3
109.06524	11.0
109.10168	20.7
111.08085	4.9
117.07023	23.1
119.08585	22.2
121.06519	10.4
121.10149	39.8
122.10515	3.2
123.08080	6.1
123.11729	4.8
125.00015	15.7
125.09629	11.8
129.06993	7.7
131.08568	27.8
133.10159	19.9
135.08072	7.1
135.11662	25.1
136.12038	3.0
137.09596	4.5
143.08508	6.6
145.10088	18.0
147.11716	8.6
149.09602	4.7
149.13266	14.8
151.11142	3.3
155.10591	3.3
157.10129	4.3
159.11687	20.8
161.13309	5.3
169.10080	5.1
171.11682	6.5
173.13310	9.2
177.12729	5.4
184.07353	64.3
187.14847	6.0
189.11234	10.1
205.12265	5.7
205.19531	5.2
215.17917	21.4
223.13310	59.0
227.12802	11.0
229.14394	8.0
233.19032	20.6
236.14926	11.1
279.15601	4.0
297.16940	91.5
298.17337	8.3
306.68942	4.1
307.22672	97.4
308.22900	9.3
415.36539	3.9
461.32455	6.6
511.34763	3.7
529.35181	78.5
530.35608	10.2
589.29156	3.6
690.49341	7.7
727.46497	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	726.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69948	0.4
53.03910	0.5
55.01855	0.5
55.05514	2.5
56.05011	0.7
57.03437	5.8
57.07076	4.7
58.06597	42.2
58.07016	1.3
59.07379	11.3
60.08161	9.8
66.96851	0.3
67.05508	2.8
69.07037	1.5
71.08627	3.4
73.02892	0.6
73.97672	0.4
75.04482	3.3
79.05457	1.8
81.03384	0.6
81.07053	3.4
83.08576	1.1
84.08112	0.9
85.02884	2.1
85.10138	1.3
86.09669	1.1
87.04455	4.6
91.05434	1.8
93.05449	0.6
93.07016	1.6
95.04946	0.9
95.08603	3.0
95.78661	0.6
97.02832	0.5
97.10149	0.8
99.00773	1.6
100.11230	1.0
102.05492	0.8
103.03908	0.7
105.05492	0.6
105.07022	1.8
107.04932	0.6
107.08569	0.4
109.02811	0.6
109.10116	1.1
111.11672	0.4
113.05975	1.9
115.03888	0.6
116.10687	0.5
119.08559	0.9
121.06456	0.4
123.11652	0.6
128.51334	0.4
130.08669	0.7
131.06993	1.6
131.08517	0.5
131.41325	0.4
133.10104	2.2
138.92294	0.4
144.10190	17.2
145.10457	0.7
151.11169	0.4
158.15349	0.5
161.09567	0.8
162.11234	5.6
179.10765	0.6
184.07263	0.9
189.09032	0.5
200.12758	0.7
218.13896	1.5
218.18134	0.4
236.14914	100.0
237.15259	4.5
296.00031	0.4
341.30368	0.9
440.41156	1.0
441.41739	0.5
442.24396	4.1
443.24707	0.4
460.25436	7.6
474.37891	0.4
484.39929	5.2
485.40573	0.6
502.41003	11.7
502.48151	0.7
503.41507	1.3
562.30908	0.4
610.17816	0.4
708.52924	0.9
726.51453	98.1
727.51874	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	727.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01871	1.3
55.05510	3.3
57.03432	3.2
59.04999	1.3
61.02926	5.5
67.05513	6.9
69.03429	5.0
69.07067	2.7
71.01340	0.8
71.04992	2.0
73.02915	3.6
79.05494	9.4
81.03420	7.2
81.07065	8.3
83.04981	2.7
83.08612	2.6
85.02904	7.3
91.03954	2.6
91.05482	8.2
93.07046	4.6
95.04958	2.4
95.08604	2.4
97.02894	6.2
97.06537	4.6
97.10152	1.0
99.04436	0.9
101.02377	1.9
105.07041	3.8
107.04948	2.0
107.08588	3.2
109.02865	1.7
109.06519	1.0
109.10148	2.6
111.08097	1.2
117.07021	1.5
119.08573	3.1
121.10155	3.9
123.08087	1.5
123.11695	1.1
127.03908	2.9
131.08542	1.4
133.10156	2.1
135.11736	1.4
145.05014	0.8
145.10126	1.9
147.04436	2.6
147.08038	0.9
147.11694	2.0
149.09723	1.1
157.10097	1.6
163.03922	0.9
163.11174	2.5
182.49945	0.8
193.12329	1.3
199.03627	0.9
209.02702	0.8
227.12840	0.8
243.08432	3.0
267.15918	1.6
283.15335	4.2
284.15714	1.2
413.80652	1.3
451.19873	1.2
467.18954	7.5
469.20660	1.4
501.16568	1.1
501.23047	6.3
695.32178	4.9
709.27997	5.2
710.29211	0.9
727.33606	100.0
728.30084	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01876	0.9
55.05514	0.9
57.03434	2.0
58.70141	0.3
59.05007	0.4
61.02928	4.6
61.64207	0.4
67.05503	2.8
69.03426	2.9
69.07076	0.8
69.07827	0.7
69.08230	2.3
71.01335	0.5
71.04986	1.8
73.02917	4.4
79.05486	2.7
81.03421	4.8
81.07043	2.7
83.01353	0.5
83.05005	1.5
83.08621	1.5
83.68204	0.3
85.02906	6.0
85.03363	0.4
87.04485	0.6
91.03960	3.0
91.05474	2.6
93.07044	2.9
95.04956	1.7
95.08639	1.4
97.02897	4.6
97.06537	1.5
99.04482	1.3
99.37589	0.4
101.02377	1.8
103.03977	0.5
105.07027	2.2
107.04984	1.3
107.08583	2.0
109.02915	0.9
109.10198	0.4
111.04449	0.5
111.08105	0.4
111.89917	0.3
113.06014	0.3
115.94743	0.4
117.07047	0.7
119.08606	1.5
121.10150	2.9
123.08119	0.8
123.19842	0.3
127.03956	1.4
129.07007	0.6
131.07744	0.4
131.08556	1.6
133.10167	0.7
135.11742	1.4
137.05914	0.3
145.10114	0.9
147.08083	0.6
147.11729	1.0
149.09674	1.2
157.10175	1.0
163.11183	2.0
175.11255	0.8
176.11665	0.3
185.04341	0.6
193.12303	1.5
203.05321	0.6
209.11848	0.7
211.13287	0.4
225.14812	0.5
243.08409	2.3
249.11125	0.5
255.16202	0.3
267.16107	0.6
283.15143	3.5
339.18002	0.9
357.46268	0.3
367.29831	0.3
467.18878	8.3
468.19290	0.8
469.20532	0.6
501.23105	8.9
502.23688	0.8
562.01788	0.4
565.29852	0.5
593.54291	0.4
695.32556	0.8
709.34235	0.5
727.35187	100.0
728.35687	16.4
728.45361	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79075	3.0
51.87892	3.4
53.03949	6.4
55.01859	10.7
55.05508	16.3
57.03414	10.5
65.03931	8.6
67.05503	32.6
69.03435	6.4
69.07069	14.9
69.54306	4.0
71.28344	3.7
71.29198	3.6
72.34444	3.6
79.05485	61.0
81.03422	8.3
81.03879	3.8
81.07043	29.9
83.01342	7.6
83.04988	9.5
83.08621	6.3
84.27394	3.7
85.02903	8.7
85.06519	4.2
86.09719	6.3
91.05478	100.0
93.07041	53.3
94.07384	4.1
95.04955	8.6
95.08601	22.7
97.06533	7.8
99.08097	4.5
105.07021	51.4
107.04955	11.3
107.08595	44.0
109.06499	3.6
109.10138	11.6
111.08084	4.8
115.05457	11.7
117.07010	55.1
119.08585	41.9
121.10126	17.8
125.05968	4.4
129.07007	11.0
131.08577	19.2
133.10103	25.9
135.08047	53.0
135.11687	17.0
137.09631	4.9
143.06976	4.1
143.08557	9.4
145.10162	14.6
147.11636	27.6
149.09592	5.1
149.13277	7.7
157.10162	7.8
159.11679	15.5
161.13228	11.4
163.07616	8.3
163.11263	5.3
165.09174	4.4
171.11606	9.0
173.09694	3.8
173.13220	6.5
175.14848	6.8
181.08624	4.9
181.12225	6.3
184.07315	10.6
185.13301	5.4
199.09634	8.6
199.14789	8.5
203.14491	3.3
216.81532	3.5
228.13489	3.8
241.19572	14.7
255.12251	55.2
259.20535	41.5
283.15317	12.6
333.24152	23.8
513.24982	6.3
513.32031	47.3
514.32318	5.5
531.32916	18.7
532.32916	4.6
664.81445	4.4
685.32288	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	728.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.7
55.01883	10.8
55.05512	31.1
57.03415	12.0
57.07063	5.3
59.04990	2.6
61.02926	4.4
65.03922	2.8
67.05506	49.6
69.03429	6.1
69.07063	16.9
69.10201	18.8
71.04979	8.9
73.02899	3.2
73.13040	2.4
78.81391	1.9
79.05495	61.9
81.03445	11.4
81.03844	3.1
81.07055	41.9
83.01349	7.8
83.04983	16.0
83.08612	17.8
85.02898	9.5
85.06543	7.7
86.09704	7.2
91.05479	89.2
93.06470	4.1
93.07043	61.6
95.04980	13.9
95.08606	31.6
97.02889	6.0
97.06536	9.5
97.10169	6.6
99.04455	4.0
99.08106	4.1
103.05444	2.8
105.04507	3.9
105.07030	92.0
106.07364	2.8
107.04958	9.2
107.08599	40.2
109.06495	11.8
109.10176	10.9
111.04453	3.6
111.08053	4.7
115.05388	2.5
116.06225	2.1
117.07012	26.6
119.08580	72.6
120.08896	3.5
121.06519	6.8
121.10137	32.6
122.55790	2.0
123.08075	10.4
123.11723	2.4
125.09598	10.0
128.06184	5.2
129.05519	3.7
129.06989	28.9
130.07805	2.4
131.08563	33.1
133.06552	2.2
133.10130	84.7
134.10464	3.8
135.08061	8.6
135.11658	22.3
137.09628	4.9
141.06978	2.4
142.07779	6.3
143.08549	20.1
145.06432	3.3
145.10127	45.4
146.10464	2.2
147.08049	5.0
147.11690	63.4
148.12051	2.5
149.09624	6.7
153.12769	4.0
155.08571	6.0
157.10118	27.1
158.10339	2.2
159.11710	13.3
161.09602	4.9
161.13248	8.9
163.11172	28.0
169.10098	5.5
171.11691	39.8
173.09644	5.7
173.13277	5.0
175.11288	4.5
181.10045	2.4
181.12251	3.1
183.11729	4.5
184.07304	3.2
185.13255	11.8
187.14844	4.9
189.11192	6.5
189.12714	5.1
189.16371	6.5
191.10718	2.7
203.14333	3.1
203.17957	21.4
204.18724	2.1
209.11710	6.9
213.16376	70.5
214.16585	3.0
215.17921	3.1
219.11690	2.6
227.12741	16.4
229.15829	3.7
231.17432	100.0
232.17763	5.1
251.18115	2.7
257.06628	2.3
269.19080	7.1
283.15387	72.7
284.15771	2.3
287.20020	5.3
289.50336	2.3
305.18011	3.8
305.21152	41.3
306.21475	4.5
393.27826	2.3
403.26181	5.2
421.27200	8.7
439.28473	5.6
457.29224	4.5
495.31088	5.3
513.32098	62.1
514.32300	8.5
531.33398	12.7
610.75049	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.01871	6.7
55.05512	14.6
56.07231	2.0
57.03436	10.1
59.04995	2.1
65.60720	1.5
67.05507	20.9
69.03429	2.9
69.07063	8.7
69.86777	6.4
71.04967	2.3
71.08236	3.8
71.08632	66.0
72.65421	1.5
79.05493	23.6
81.03420	14.4
81.07048	27.2
83.01344	4.4
83.04977	10.7
83.08620	12.7
85.02903	3.3
85.06559	2.0
86.09734	1.7
91.05477	29.2
93.07045	27.3
95.04955	5.5
95.08600	10.7
97.02882	2.6
97.06516	5.2
98.22659	2.0
99.04472	2.2
99.07477	3.4
99.08095	46.6
105.04417	1.5
105.07033	14.6
107.04943	24.3
107.08590	14.7
107.95621	1.7
109.06520	14.9
109.10197	3.0
111.04461	3.4
117.07016	5.2
119.08573	10.0
121.10129	11.6
123.08054	7.0
123.11731	1.9
125.05985	2.7
125.09684	2.0
127.03929	1.9
129.07022	4.7
131.08563	6.9
131.64514	1.5
133.10117	14.5
135.08055	10.0
135.11662	8.4
137.09552	3.7
138.27084	1.7
143.08560	2.5
145.10135	13.2
147.08047	4.0
147.11743	3.5
149.09630	20.9
149.14343	1.6
151.11191	31.7
152.67348	1.6
153.12791	2.0
157.10172	2.0
159.11772	2.5
161.09601	5.7
163.11169	17.3
164.47760	1.5
167.10738	2.7
171.11746	2.5
173.11774	4.6
181.12201	3.4
183.10164	7.6
184.07338	4.3
191.10741	2.1
203.17839	3.6
209.11774	4.7
227.12814	3.5
228.68509	1.9
231.17450	5.0
241.14452	2.6
249.18530	13.2
252.83234	1.9
267.19507	4.8
283.15402	64.4
284.15778	4.3
291.19485	2.6
319.03580	1.6
323.22202	38.5
324.22174	1.8
381.22629	24.2
382.22961	2.5
391.21149	12.1
468.15234	2.2
480.85815	1.8
513.32050	2.2
531.33142	100.0
532.33606	15.6
637.68500	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87597	1.4
52.34330	1.2
53.00304	3.1
53.03940	5.1
55.01871	4.5
55.05514	16.1
57.03435	10.8
57.07073	3.1
58.06590	1.4
60.08165	1.6
61.02912	5.4
65.03936	3.5
67.05504	53.7
69.03423	3.0
69.07068	11.7
69.48726	6.3
70.07405	1.6
71.04982	1.8
73.02889	2.3
79.05492	79.3
80.05824	2.0
81.03405	4.3
81.07053	48.5
83.04985	5.0
83.08613	6.9
85.02885	4.5
85.06551	1.8
86.09713	7.6
91.03928	2.4
91.05476	40.8
91.06017	2.9
91.50600	1.3
93.07042	38.8
95.04968	7.5
95.08604	36.1
97.02891	3.2
97.06517	4.5
97.10175	2.8
99.00819	11.5
103.05474	3.3
104.33227	1.4
105.04469	1.6
105.07027	100.0
106.07368	2.6
107.04955	3.8
107.08593	28.5
109.02847	1.6
109.06540	3.7
109.10151	13.5
113.06066	1.7
115.05453	2.3
117.07013	6.2
119.08568	13.2
120.47451	1.6
121.06449	1.8
121.10128	16.8
123.08050	8.4
123.11725	5.1
124.99988	5.6
125.06017	2.1
128.06343	1.6
131.08556	10.9
133.06488	31.9
133.10133	21.9
135.04414	2.6
135.08060	6.2
135.11693	12.1
137.06000	1.3
137.13347	1.7
143.08568	2.6
145.10094	9.4
147.11678	5.9
149.09634	2.4
149.13287	6.5
151.07542	43.2
151.08781	2.5
151.11176	3.4
152.07889	2.2
153.09119	1.4
159.11676	5.9
161.09618	5.7
161.13261	4.9
163.11169	2.6
163.14812	1.9
171.11702	1.5
173.13228	5.8
179.07077	7.4
179.10655	3.1
181.12273	2.7
183.11757	2.1
184.07332	27.2
187.14819	2.9
197.08167	1.4
207.14061	2.0
215.09128	3.1
215.17932	3.4
233.18942	5.0
243.20946	6.7
253.10622	2.4
253.14464	2.8
261.22107	18.5
271.11740	74.5
272.12088	3.8
289.77332	1.5
299.14932	13.5
307.22696	17.0
315.22989	1.5
317.24838	2.7
335.25818	65.8
336.26025	6.9
359.03735	1.4
377.28333	1.5
403.26746	1.8
421.27420	2.1
439.28543	2.1
457.80746	1.5
485.32932	1.8
492.04950	1.7
503.34097	1.9
513.31927	5.6
531.33002	31.7
532.33350	4.9
549.45801	1.6
693.50391	1.6
706.20355	1.4
728.44757	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.0
53.00304	2.7
53.03723	1.1
53.03938	5.7
55.01870	3.9
55.05242	1.3
55.05510	24.3
57.03435	12.7
57.07085	2.1
59.05002	2.2
61.02930	4.9
61.09317	1.0
65.03940	2.3
66.43678	1.0
67.05503	49.6
67.10609	1.0
69.03432	3.1
69.07062	9.2
71.01349	1.4
71.04999	3.7
73.02921	2.2
75.78545	0.9
79.05489	51.5
81.03420	5.3
81.07053	43.3
83.04980	4.1
83.08621	12.1
85.02898	4.6
85.06525	4.2
85.38202	0.9
86.09701	2.3
91.03938	1.9
91.05478	37.2
93.07040	58.6
94.07366	1.3
95.04966	6.2
95.08606	28.0
97.02871	6.5
97.06528	5.7
97.10169	1.8
99.00812	18.2
99.08088	4.3
101.72649	1.0
105.07024	27.6
107.04955	6.6
107.08595	23.4
109.02865	9.5
109.06531	4.8
109.10152	15.5
110.10515	1.0
111.04429	1.9
111.08055	6.0
113.09690	1.4
115.03922	1.9
117.07002	8.8
117.69817	1.1
119.08584	18.6
121.06521	7.4
121.10140	23.6
123.04433	2.0
123.08039	1.9
123.11726	8.3
125.09656	2.8
126.06420	1.2
127.03893	3.7
128.06245	1.9
129.07024	2.8
131.08565	12.8
133.06535	1.8
133.10123	39.7
134.10464	1.5
135.08046	2.8
135.11691	21.3
137.06023	1.9
137.09593	2.7
139.07542	3.1
142.07819	0.9
143.08586	4.3
145.06474	1.0
145.10117	10.4
147.08060	1.7
147.11665	5.7
149.09605	2.0
149.13240	8.2
151.11180	13.2
153.07076	1.2
157.10210	1.5
159.11681	5.6
161.09615	14.9
161.13258	2.2
163.11211	2.2
171.08064	4.3
171.11726	1.9
173.13271	6.5
179.10651	6.6
181.12268	1.8
184.07378	3.2
187.14839	1.8
189.09108	6.7
197.11775	2.7
205.19533	3.3
207.10219	2.9
215.17955	25.3
215.20071	1.2
216.18272	1.3
217.19458	1.0
225.11189	13.1
228.86707	1.0
233.18993	23.4
233.21368	1.2
236.14853	1.2
243.12286	3.3
259.20428	1.2
281.13840	4.0
287.19937	0.9
289.21518	1.3
299.14877	99.1
300.15128	7.2
307.22650	100.0
308.22934	7.4
318.67929	1.0
393.27615	1.3
421.27414	3.2
439.28467	4.1
457.29224	2.7
463.02368	1.0
485.32889	1.2
503.33777	1.4
513.31934	4.3
531.33118	45.0
532.33496	5.7
728.38672	2.2
729.38159	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	728.4499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.5
56.05024	1.0
57.03431	0.7
57.07068	0.7
58.06596	2.4
59.07387	0.6
60.08167	6.9
61.02903	0.4
64.65893	0.3
67.05505	2.3
69.07065	0.8
71.07377	4.5
71.08642	0.4
76.07165	0.3
79.05501	1.5
81.03404	0.4
81.07047	2.4
83.05000	0.5
85.02911	0.4
86.09711	34.8
87.04445	0.3
87.10066	0.7
91.05492	1.5
93.07037	1.7
95.04960	0.8
95.08608	1.4
96.08981	0.3
97.06542	0.4
98.23433	0.9
98.98470	4.2
104.10744	2.3
105.07035	1.1
107.08595	0.9
109.10141	0.8
109.49727	0.3
119.08583	0.7
121.10159	0.6
123.11787	0.3
125.00012	24.8
126.00365	0.4
129.06923	0.4
131.08594	0.5
133.10124	0.5
135.11667	0.5
144.10246	0.6
146.98111	0.5
151.11142	0.4
162.11249	0.4
184.07350	100.0
185.07745	1.9
193.24266	0.3
236.14928	5.2
271.15240	0.7
279.62939	0.3
335.25708	1.0
495.91476	0.3
520.34058	0.5
545.38080	1.3
669.36847	1.1
684.49835	0.6
692.51538	2.1
728.45129	5.7
729.44971	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52533	0.1
55.01864	0.1
55.05503	0.3
56.05035	0.7
57.03434	0.2
58.06614	0.6
59.07400	0.2
60.08163	6.0
65.76173	0.1
67.05510	0.8
67.17841	0.1
69.07079	0.3
70.06580	0.1
71.07372	3.5
79.05487	0.6
81.03430	0.2
81.07047	0.7
83.08614	0.2
85.02892	0.2
86.09706	31.2
87.10034	0.6
91.05479	0.4
93.07039	0.5
95.05004	0.2
95.08598	0.5
96.48535	0.1
97.06518	0.1
98.98468	3.5
101.86462	0.1
104.10732	2.0
105.07019	0.3
107.08598	0.4
108.77924	0.1
109.10146	0.2
119.08586	0.2
121.10181	0.3
123.11685	0.2
125.00004	21.4
125.09755	0.1
126.00365	0.3
131.08583	0.2
133.10132	0.3
135.11711	0.1
143.01079	0.3
144.10207	0.2
145.10161	0.2
184.07339	100.0
185.07727	1.9
186.85309	0.1
236.14886	0.5
271.15283	0.4
298.41312	0.1
309.24225	0.1
313.27011	0.2
335.25632	0.2
466.22141	0.3
726.79211	0.1
728.44965	2.3
729.45465	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.5224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.05511	7.4
55.44974	1.5
57.03423	2.1
57.07064	1.9
60.77124	1.3
65.03936	1.5
67.05505	44.7
69.06785	1.2
69.07070	13.7
71.08634	1.9
79.05481	15.4
81.07055	43.0
83.08633	7.0
85.06553	1.6
87.84557	1.3
91.05485	11.7
93.07056	13.4
95.04943	2.2
95.08608	34.5
97.06533	3.5
97.10173	3.1
105.07034	6.5
107.08584	5.1
109.10175	10.1
111.08137	1.9
111.84663	1.2
113.00023	8.7
119.08571	4.7
121.10152	5.0
123.11681	3.7
131.08591	2.0
133.10100	2.8
135.11705	2.4
138.13797	1.5
147.11676	1.9
147.18982	1.8
149.13228	2.3
161.13268	2.9
163.14873	1.6
169.02573	5.8
203.02684	1.2
217.20340	1.4
236.14973	2.2
263.23715	4.1
313.27402	1.6
319.26285	1.9
337.27353	3.0
339.28778	1.6
374.25827	1.3
439.33533	1.4
525.49261	1.5
574.79120	1.4
596.86609	1.8
599.50311	100.0
600.50824	18.7
600.59918	2.7
616.49872	2.3
681.46039	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.5304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.7
55.01847	0.6
55.05501	2.3
57.03439	4.9
57.07030	5.2
58.06602	37.7
58.06874	1.6
58.07011	1.4
59.04971	0.4
59.07381	10.6
59.21990	0.4
60.08167	10.7
65.03885	0.5
67.05502	7.7
69.03382	0.6
69.07028	1.7
71.04962	0.5
71.08636	3.7
71.29654	0.4
73.02884	0.9
74.67675	0.4
75.04498	2.6
75.05647	0.4
79.05498	4.2
81.03372	1.9
81.07067	4.4
83.04932	1.4
83.08578	1.7
84.08100	1.0
85.02884	3.0
85.10175	2.7
86.09662	1.3
87.04473	3.3
91.05500	2.9
93.07039	2.8
95.08611	3.8
97.02878	0.6
97.06500	0.7
97.10133	0.8
101.05994	0.7
102.05501	1.0
102.66405	0.5
103.07624	0.5
105.05499	0.9
105.07011	1.3
107.04927	1.6
107.08559	1.1
109.10159	4.9
111.04380	0.7
111.08053	0.6
113.05973	1.7
117.06985	1.1
119.08537	1.4
121.10117	1.1
125.00032	0.7
130.08609	0.9
131.07010	1.1
131.08534	0.9
133.10081	1.3
135.11617	0.6
141.07001	0.7
144.10197	14.8
145.10132	0.7
159.11674	0.6
162.11250	5.2
173.11731	0.6
184.07332	2.6
200.12920	0.7
205.64658	0.5
210.97755	0.5
218.13876	1.4
229.14354	3.2
236.14923	100.0
237.15311	4.6
239.23697	0.7
313.27472	3.6
360.17059	0.5
390.24792	1.1
412.37961	0.8
422.25443	2.5
440.26385	4.0
441.26981	0.7
456.36749	6.1
457.37244	0.7
458.27823	1.7
467.37491	2.2
468.38025	0.7
474.37903	16.1
475.38492	1.8
502.41248	1.3
628.47797	16.2
629.48492	1.6
678.49365	45.6
679.49750	7.4
696.50397	20.0
697.50824	3.1
710.52167	1.5
728.53076	18.1
729.53271	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70037	2.3
55.05522	2.9
57.03447	5.0
57.07086	6.2
58.06607	33.5
59.07389	10.1
60.08170	11.4
67.05507	10.2
69.07072	4.8
71.08619	5.4
71.27965	2.4
75.04485	3.7
79.05502	8.1
81.07066	9.4
83.08614	4.8
85.02913	3.1
86.09721	6.2
87.04464	3.5
91.05479	5.8
93.07066	9.0
95.08630	8.2
105.07040	3.8
107.05012	2.6
107.08616	3.7
109.10199	8.3
119.08647	3.9
121.10188	3.7
125.00065	3.3
144.10208	14.9
145.10226	3.4
162.11308	4.7
184.07399	20.6
208.76584	3.1
210.97780	7.1
229.14424	4.0
236.14923	75.8
237.15262	12.2
251.11880	3.0
283.15570	4.3
303.14795	2.9
313.27463	3.2
390.25568	2.5
395.18558	2.7
407.18481	2.6
445.93045	2.7
456.37009	3.5
474.37994	6.4
475.38348	5.4
477.19620	3.2
507.60019	3.0
535.23450	5.2
549.21088	3.8
557.31958	3.1
563.22900	7.7
564.23309	3.3
578.24042	2.6
579.25739	6.8
595.25897	7.2
610.27930	6.1
614.91992	2.6
623.25177	7.4
628.47699	7.7
629.48346	7.6
638.26929	5.7
643.41687	3.2
655.27417	5.2
665.26135	25.9
669.29620	3.6
670.29297	3.1
678.49091	16.7
679.49780	18.3
683.27063	35.9
684.28345	5.9
694.52679	5.4
696.50708	5.2
697.28534	44.4
697.50922	6.5
698.29315	8.5
711.52209	3.3
728.52527	9.3
729.31323	100.0
729.51678	14.9
730.31635	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.5
55.01878	1.3
55.05504	1.0
57.03443	1.8
61.02927	4.4
67.05511	3.1
69.03431	3.6
69.07053	0.8
71.01326	0.4
71.04973	1.0
71.29433	0.5
73.02919	2.6
79.05502	2.6
81.07065	2.9
83.04991	3.1
83.08626	0.7
85.02902	6.2
91.03958	1.9
91.05491	3.5
93.07041	3.0
94.06563	2.3
95.04961	1.1
95.08600	1.3
97.02890	4.6
97.06511	2.2
99.04462	0.9
101.02384	1.6
105.07030	1.5
107.04963	0.7
107.08584	2.0
109.02896	0.9
109.06490	0.6
109.10161	1.2
111.04435	4.7
111.08082	1.5
117.07045	1.2
119.08597	1.4
119.88853	0.4
121.10158	1.5
127.03928	1.7
129.07024	0.8
131.08598	0.8
133.10139	1.0
134.33826	0.4
135.08069	0.6
135.11690	1.9
137.61147	0.4
145.10092	1.7
147.11714	0.8
149.09624	1.2
152.07111	0.5
153.12756	2.3
157.10196	0.4
163.11195	3.4
173.09663	1.0
175.11223	0.5
181.12224	3.3
185.04185	0.5
191.10652	2.2
193.12323	0.6
195.11337	0.5
195.19315	0.4
203.05328	0.4
209.11684	0.8
227.12828	1.9
237.90459	0.3
243.08450	1.5
249.11028	0.4
251.12500	1.1
259.07983	0.6
267.12054	6.9
283.15256	0.4
305.14008	0.4
307.15308	0.4
313.28918	0.4
320.47147	0.4
323.14658	2.6
335.01968	0.4
365.18655	0.4
408.55972	0.4
467.19049	1.7
469.20383	3.9
485.19913	13.4
486.19925	1.1
499.21271	0.5
501.22885	0.5
503.20901	0.5
567.27472	1.5
639.29535	0.8
683.32190	0.5
697.32819	3.3
711.31775	2.9
712.31628	0.5
729.33118	100.0
730.33496	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	729.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
55.01873	1.6
55.05519	2.5
57.03429	2.5
61.02926	5.2
67.05506	5.4
69.03428	4.6
69.07071	1.3
71.01347	1.0
71.05009	1.3
71.30992	0.7
73.02908	4.2
79.05495	4.9
80.05026	0.7
81.07059	3.9
83.01366	0.8
83.04990	2.0
83.08613	1.3
85.02902	6.7
85.06516	0.5
87.04469	0.7
91.03942	3.3
91.05482	4.3
93.07047	5.2
94.06541	3.3
95.04984	2.0
95.08625	3.2
97.02888	5.6
97.06512	4.2
99.04448	1.3
99.14659	0.5
101.02390	2.0
105.07039	3.1
107.04967	1.7
107.08605	2.4
109.02879	1.4
109.06554	1.1
109.10187	1.3
110.94354	0.4
111.04448	2.5
117.07043	1.6
119.08581	1.7
121.06574	0.8
121.10140	2.7
123.08105	1.6
125.06017	0.7
127.03937	1.8
131.08589	1.1
133.10184	1.1
135.08084	1.0
135.11707	1.5
143.08568	0.5
145.05006	0.5
145.10155	2.0
147.04486	1.1
147.11630	0.6
149.09679	0.8
152.07188	0.8
157.10213	0.6
163.03979	0.6
163.11209	2.9
185.04315	1.0
191.10728	0.6
195.11330	0.9
205.42340	0.4
209.11739	1.2
225.11061	0.7
228.02046	0.5
229.80067	0.5
243.08412	3.1
249.11150	0.8
259.09787	0.9
267.12119	0.9
283.15356	0.8
313.14423	0.5
355.15610	0.6
356.15964	0.7
439.19666	0.7
441.17145	0.7
443.18933	0.9
467.18896	7.9
468.19153	0.8
469.20731	1.1
483.18451	0.7
485.19901	4.0
503.20782	2.7
639.30402	0.6
669.30695	1.2
683.31805	1.5
697.30750	1.1
711.31860	14.3
712.32629	2.1
729.32916	100.0
730.33325	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	729.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
55.01871	1.4
55.05516	2.5
57.03444	3.6
59.05023	1.0
61.02928	6.6
66.42317	0.6
67.05505	5.3
69.03428	7.1
69.07064	1.6
70.06601	0.6
71.01362	0.7
71.04979	2.3
71.29177	0.6
73.02922	4.1
79.05495	5.4
83.04983	4.7
83.08626	2.5
85.02904	6.5
85.06538	0.9
87.04471	0.8
91.03973	3.0
91.05497	5.5
93.07047	5.2
94.06583	2.8
94.07166	0.6
95.04995	3.2
95.08620	2.6
97.02892	6.7
97.06525	4.0
97.10178	0.7
99.04455	2.3
101.02383	2.4
105.07037	3.2
107.04949	1.3
107.08589	3.1
109.02860	1.2
109.06546	1.0
109.10169	1.5
111.04439	1.8
111.08085	1.2
117.07045	1.7
119.08591	3.5
119.91890	0.6
121.10136	2.4
121.46684	0.7
123.08040	1.3
123.11771	0.7
127.03928	3.0
129.07053	0.7
131.08580	1.7
133.10136	1.8
135.08125	1.2
135.11723	1.7
137.09615	1.0
137.88824	0.8
145.10139	0.7
147.11708	2.0
149.09641	1.3
155.08600	0.6
157.10187	1.5
163.11195	2.6
173.09665	0.6
175.11162	1.1
185.04280	0.9
189.77229	0.6
191.10614	0.7
193.12251	2.7
211.13283	0.8
227.12686	0.8
243.08383	3.5
249.10876	0.9
251.12418	1.3
283.15179	3.8
307.15146	0.7
353.98291	0.6
413.17862	0.8
451.20721	1.0
467.18866	5.8
468.18909	0.7
469.20499	8.5
470.19992	0.9
471.18497	1.0
477.19211	0.7
485.19968	2.1
501.23108	8.7
503.20923	0.9
567.31598	0.7
639.29987	6.0
665.31641	3.2
693.30908	1.0
697.30164	3.7
702.85315	0.7
711.31763	9.5
712.31958	1.4
729.35681	100.0
730.36377	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	729.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
54.31639	0.7
55.01869	1.9
55.02780	0.7
55.05510	3.5
56.96562	1.6
57.03439	1.4
61.02924	2.7
64.06726	0.6
65.03951	0.7
67.05500	7.8
69.03429	2.2
69.07079	4.3
71.04999	1.0
71.29772	1.0
71.30167	0.8
73.02910	1.9
79.05495	9.1
83.04990	2.7
83.08614	1.3
85.02914	2.7
85.06618	0.8
86.09710	1.2
87.08921	0.7
91.05476	12.2
92.05784	0.8
93.07042	8.5
95.04974	2.7
95.08611	4.0
97.02893	2.6
97.06544	1.6
97.10136	1.0
98.97581	4.1
99.05995	0.7
105.07034	7.4
106.07341	0.9
107.04961	2.9
107.08588	4.8
109.02897	0.9
109.06535	1.5
109.10155	2.4
111.08134	0.7
112.99188	0.9
116.98636	1.5
117.07038	3.1
119.08575	4.5
121.06464	0.9
121.10139	3.5
122.24588	0.7
123.08025	0.9
127.03893	1.3
128.98604	0.8
131.00183	2.1
131.08594	2.9
133.10123	5.1
135.08084	1.4
135.11659	3.3
137.09686	0.7
143.00162	0.9
145.10132	2.5
147.11629	1.6
149.01222	1.7
149.09665	1.2
151.11304	0.7
153.12834	0.8
158.99571	1.6
159.11694	1.3
161.09595	1.2
161.13226	1.3
163.11229	2.9
170.99702	1.5
171.11711	1.1
173.09543	1.0
177.00711	2.0
181.12271	1.6
184.07390	1.7
189.00740	1.8
208.15565	0.7
209.11804	1.4
215.17990	1.0
219.09814	0.8
243.08435	1.5
255.15837	1.5
259.20535	1.7
260.20978	1.1
261.02933	1.1
267.15613	0.7
279.03879	0.9
283.15448	2.9
293.05396	1.4
301.16663	1.2
307.22656	4.4
315.19373	2.1
321.04892	6.3
329.11978	0.8
331.21658	1.2
334.24396	0.9
359.41202	0.8
414.80234	0.7
437.09717	0.9
437.11371	0.9
437.17688	7.5
455.10709	2.0
480.80167	0.7
497.32315	0.8
500.45203	0.7
514.36517	1.4
515.33771	2.3
533.27155	2.7
533.34888	3.4
693.33466	3.0
694.34460	0.8
729.38141	100.0
730.38623	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	730.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	2.3
53.03940	6.2
55.01872	10.3
55.05511	27.0
57.03202	2.3
57.03441	28.7
57.07066	4.7
61.02916	6.5
65.03934	8.6
67.05503	95.2
69.03423	6.1
69.07069	19.5
71.04997	5.7
71.08649	2.6
73.02909	3.0
79.05491	100.0
80.05826	3.8
81.03407	18.4
81.07051	92.4
82.07389	3.0
83.04965	7.0
83.08615	9.9
85.02895	16.8
85.06531	3.2
86.09691	6.5
88.25136	2.0
91.05482	59.4
93.07040	87.4
95.04981	10.2
95.08598	68.2
97.02878	10.9
97.06506	10.2
97.10172	5.8
98.22653	5.7
99.04478	2.6
99.08096	3.2
103.05444	2.6
105.04523	3.0
105.07030	33.0
107.04938	12.4
107.08590	58.7
109.06499	12.6
109.10162	27.6
109.87547	2.0
111.04437	3.1
111.08074	8.2
115.05467	6.6
117.07017	38.0
118.07380	2.0
119.04967	12.2
119.08582	21.0
121.06498	9.7
121.10131	29.8
123.08105	10.1
123.11736	11.9
125.00031	4.6
125.05913	2.8
125.09611	5.7
129.06982	2.9
131.08549	18.2
133.06418	2.5
133.10150	17.8
135.08049	67.4
135.11705	17.4
136.08356	2.3
137.05977	7.2
137.09602	3.0
137.13245	2.9
139.07513	3.1
143.08534	4.6
145.06517	7.6
145.10092	14.0
147.08110	2.3
147.11664	11.0
149.02362	6.0
149.09627	3.4
149.13290	10.0
151.07529	2.7
151.11099	2.4
153.09132	9.3
157.10121	3.5
159.11678	8.8
161.09695	3.4
161.13229	6.4
163.07539	71.6
163.14775	7.1
164.07832	3.3
165.09152	4.2
171.11647	5.0
173.13283	8.4
175.11218	3.2
181.08583	18.1
183.11617	2.4
184.07364	16.5
185.13309	2.8
187.14813	4.2
193.05034	5.3
196.09753	2.8
197.13161	2.0
199.09653	6.3
205.15729	3.1
225.11214	4.3
236.14705	2.1
243.21005	10.3
248.41495	2.4
255.12256	98.6
256.12552	3.9
257.13718	2.4
261.22095	32.7
262.22656	2.6
273.13358	18.5
274.13861	2.4
277.21707	2.4
283.15344	7.9
299.14954	5.8
307.22650	7.3
309.24423	5.9
317.24835	6.1
333.24115	3.5
335.25778	86.9
336.26080	8.9
353.27005	3.0
395.29297	6.3
405.27902	10.5
423.28873	18.6
441.29950	6.9
479.31503	2.4
497.32339	13.3
498.33356	3.3
515.33636	40.1
516.33942	6.6
533.34778	20.0
534.34766	3.7
568.93335	2.4
577.13397	3.7
730.41675	7.5
731.39685	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	730.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	2.3
51.47941	1.2
53.03941	5.5
54.40352	1.2
55.01869	7.2
55.05511	27.1
57.03438	18.2
57.07081	4.2
61.02919	5.3
65.03944	4.7
67.05502	87.2
68.05847	2.0
69.03429	4.6
69.07066	17.6
70.06586	1.3
71.04981	3.4
71.08668	1.3
72.27167	1.3
73.02911	2.9
79.05490	82.4
79.57909	1.1
80.05829	1.5
81.03424	6.5
81.07052	68.9
82.07412	2.1
82.34016	1.2
83.04982	20.1
83.08605	12.8
85.02905	9.1
85.06548	6.0
86.09701	1.5
91.03951	1.4
91.05476	53.2
92.05818	1.6
93.03399	1.3
93.07041	85.6
94.07364	2.6
95.04964	19.8
95.08603	45.8
96.08904	1.5
97.02911	11.8
97.06513	8.4
97.10177	2.5
99.00825	1.2
99.04463	4.1
99.08076	2.5
105.04564	2.1
105.06304	1.5
105.07022	30.0
107.04942	15.2
107.07860	2.7
107.08588	39.8
108.08965	1.5
109.02869	1.6
109.06528	3.8
109.10148	22.1
111.04436	11.9
111.08100	5.8
113.09683	1.7
117.07022	21.5
119.08578	22.0
121.06512	4.3
121.10140	41.0
123.04462	3.6
123.08092	3.1
123.11727	8.4
125.05935	1.7
125.09615	3.1
129.07024	5.4
130.07767	2.4
131.08571	20.3
133.10135	25.8
134.10522	2.4
135.08073	5.0
135.11690	36.2
137.09543	2.8
137.13254	1.5
141.06990	1.4
142.07835	1.3
143.08553	4.6
145.06493	4.8
145.10118	27.7
146.10492	2.3
147.08067	4.6
147.11699	10.4
149.02341	1.9
149.09573	6.4
149.13254	10.5
151.11215	4.7
155.08525	3.9
157.10114	1.9
159.11682	11.2
161.09692	3.6
161.13292	3.7
163.07542	1.7
163.11180	19.6
169.10280	1.6
171.08119	2.0
171.11722	4.4
173.09654	6.1
173.13220	9.2
175.11267	1.8
177.12773	2.6
179.10661	1.8
181.10139	2.1
181.12154	2.2
184.07306	6.5
185.13254	2.5
187.11105	2.0
187.14877	3.5
189.16502	1.8
191.10672	9.0
193.04948	2.0
199.11284	2.0
205.19504	3.5
209.11726	23.3
213.16458	2.0
215.17940	23.7
217.19440	1.2
227.12830	5.0
231.17529	3.4
233.19003	21.1
234.19341	2.0
245.19156	2.9
253.14427	4.0
267.16022	1.3
270.00192	1.3
283.15384	90.6
283.93561	1.3
284.15829	7.6
299.15045	2.8
299.19092	1.2
300.15302	2.0
301.21777	1.4
305.21155	1.8
307.22656	100.0
308.22986	13.2
313.21704	1.4
317.00919	1.5
325.21048	1.4
395.29477	3.2
405.27722	5.2
423.28952	10.1
424.29388	1.8
429.92886	1.3
441.29797	5.5
460.13071	1.4
479.31400	2.7
487.34100	2.0
497.32642	9.1
498.32846	1.9
515.33679	65.3
516.33997	11.2
533.34723	8.3
699.25610	2.2
730.40167	7.5
731.39392	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	730.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77521	0.9
53.03938	2.9
53.92340	0.9
54.32084	1.2
55.01876	2.8
55.05512	8.8
57.03440	3.8
57.07071	3.8
61.02942	5.0
65.03932	1.2
67.05508	21.0
69.03433	2.8
69.05303	2.4
69.05701	5.8
69.07066	8.6
71.04987	3.3
71.08632	1.7
73.02924	2.5
79.05495	22.5
81.03436	6.7
81.07059	18.9
83.01335	2.8
83.04987	4.7
83.08627	4.7
85.02901	5.3
85.06539	2.1
86.09706	2.8
91.03962	3.1
91.05481	14.9
93.07046	25.5
95.04971	4.5
95.08607	11.9
97.02893	4.8
97.06525	2.7
97.10184	1.9
99.04449	1.7
99.08118	2.0
101.02403	1.6
105.07045	10.7
107.04972	3.8
107.08598	12.0
109.06537	3.1
109.10153	4.5
111.08086	3.1
117.07014	7.5
119.08578	7.5
121.06538	1.7
121.10158	10.1
123.08056	2.2
125.09625	1.9
127.03913	2.2
129.07001	1.6
131.08583	7.8
133.10204	5.6
135.08093	2.6
135.11694	10.9
136.12042	1.2
137.09645	1.2
143.08542	1.8
145.10127	7.6
147.11697	3.9
149.09642	3.0
149.13281	5.5
151.11169	2.1
153.12769	1.4
157.10249	1.3
159.11723	4.0
163.11099	5.6
173.13202	2.2
175.11227	1.5
181.10172	1.3
184.07349	5.1
187.14861	1.4
189.11252	1.3
205.19557	1.4
209.11667	2.3
215.17934	6.7
227.12778	4.2
233.19002	8.3
234.19272	1.3
243.08456	3.4
271.20596	2.0
283.15356	11.3
287.16125	1.6
307.22641	8.5
315.19589	1.3
334.97253	1.1
339.10303	1.1
423.28888	2.6
439.15585	4.1
465.73233	1.0
467.18680	3.7
487.34158	1.9
493.97076	1.2
497.32538	3.7
505.24255	2.8
515.33661	24.4
516.34100	2.6
533.26727	1.2
533.34338	5.0
579.49432	1.2
579.59265	1.1
602.20990	2.0
643.49646	1.1
731.36066	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	730.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.4
56.05035	0.6
57.03450	0.2
57.07070	0.2
58.06368	0.2
58.06625	0.6
60.08166	5.7
61.02941	0.2
67.05504	0.6
69.07072	0.3
71.07375	3.3
71.08625	0.1
79.05497	0.4
79.29358	0.1
79.35942	0.1
81.03419	0.3
81.07072	0.7
83.04993	0.2
83.08613	0.2
86.09706	29.1
87.04490	0.2
87.10045	0.5
91.05482	0.5
93.07050	0.5
95.08598	0.4
97.10197	0.2
98.23437	0.3
98.98459	2.8
104.10751	2.2
105.07028	0.4
107.08586	0.4
109.10182	0.3
112.58601	0.1
119.08607	0.3
121.10112	0.2
123.08043	0.2
125.00002	19.1
135.11716	0.2
143.01025	0.3
145.10187	0.2
145.48990	0.2
184.07339	100.0
185.07716	1.6
195.00316	0.2
201.27661	0.1
204.10892	0.2
228.77032	0.1
236.14822	0.8
283.15466	0.2
311.25769	0.2
448.20575	0.2
533.38409	0.3
558.34259	0.3
559.35101	0.2
652.79285	0.2
666.49017	0.4
730.46533	3.7
731.46692	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.2
56.05042	0.8
57.03434	0.1
58.06568	0.8
59.07386	0.2
60.08165	6.6
67.05502	0.5
69.07060	0.3
70.06605	0.1
71.07372	3.8
79.05491	0.3
81.03411	0.1
81.07079	0.4
83.08610	0.2
83.94073	0.1
86.09706	33.2
87.10041	0.6
91.05453	0.2
93.07014	0.5
95.04942	0.1
95.08630	0.3
97.06562	0.1
98.98461	4.1
104.10742	2.1
107.08614	0.1
109.10150	0.1
117.35712	0.1
121.10130	0.2
125.00002	22.9
126.00314	0.1
133.10092	0.1
143.01083	0.3
144.10149	0.2
163.11380	0.1
178.07901	0.1
184.07341	100.0
185.07709	1.9
191.87276	0.1
220.05922	0.1
226.63379	0.1
236.14827	0.6
247.50127	0.1
271.15405	0.1
283.15384	0.2
330.71548	0.1
335.25565	0.1
363.86493	0.1
466.22101	0.3
519.99890	0.1
533.37708	0.1
580.26392	0.2
667.26794	0.2
730.46704	2.4
731.46814	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.3
55.05505	2.9
56.05029	0.8
57.03432	1.1
57.07078	0.6
58.06611	1.2
60.07885	0.5
60.08165	6.1
67.05503	4.3
67.28866	0.3
69.03422	0.8
69.07083	2.5
71.05003	0.5
71.07378	3.7
71.08633	0.4
73.16419	0.3
79.05482	2.1
81.03434	1.1
81.07064	4.0
81.27541	0.3
83.04969	0.5
83.08616	2.5
85.02900	0.6
86.09708	28.4
87.10022	0.7
91.05490	2.0
93.07046	2.9
95.04969	1.5
95.08611	2.9
97.06508	0.5
97.10162	1.7
98.98466	3.7
104.10738	1.8
105.04515	0.4
105.07041	0.9
105.70900	0.3
107.04955	0.7
107.08576	1.2
109.10162	2.0
117.06982	0.7
119.08585	0.8
121.06519	0.5
121.10149	1.4
123.08111	0.5
123.11691	0.4
125.00008	18.8
125.09624	0.9
131.08578	0.4
133.10149	0.8
135.11722	1.1
145.10118	0.3
147.08078	0.4
147.11757	0.5
149.13190	0.4
159.11754	0.5
173.11772	0.4
178.17145	0.3
184.07346	100.0
185.07681	2.0
189.11180	0.6
195.00323	1.4
205.12180	0.5
223.13304	2.0
227.12769	0.5
236.14839	1.7
253.14337	0.6
283.15195	0.6
290.80447	0.3
297.16995	5.5
311.25827	5.6
324.62531	0.3
325.27386	0.6
337.27432	0.4
450.97491	0.3
465.35828	2.2
533.38470	4.8
534.38452	0.7
558.34589	1.2
559.35608	0.9
694.50360	0.6
730.34076	0.6
730.47015	3.6
731.46631	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01878	6.0
55.05511	22.3
57.03438	14.4
57.07073	6.6
58.06602	6.8
59.04997	2.6
59.07379	2.1
60.08169	5.4
61.02932	4.3
67.05508	20.8
69.03447	1.8
69.07069	22.8
70.07395	0.9
70.80121	1.2
71.04982	4.6
71.07372	3.3
71.08633	4.1
73.02925	1.2
75.04458	0.8
79.05489	17.4
81.03422	7.5
81.07055	24.4
81.74332	0.7
83.01338	6.1
83.04986	8.0
83.08617	20.6
85.02905	8.0
85.06557	1.6
85.10182	1.5
86.09707	25.5
86.10244	1.3
91.03941	2.2
91.05474	11.1
93.06470	1.6
93.07042	25.1
93.07626	1.7
95.04974	4.3
95.08606	20.9
96.08962	1.0
97.02893	3.1
97.06545	5.2
97.10167	10.6
98.98454	2.9
99.04444	1.5
99.08105	0.7
104.10742	2.1
105.07027	5.8
107.04934	4.9
107.08591	12.4
109.06509	5.0
109.10160	6.8
111.04431	1.7
111.08067	2.6
111.11709	2.2
117.07033	4.9
119.08573	6.1
120.93607	0.7
121.06493	1.8
121.10152	12.5
123.08072	6.7
123.11691	2.4
125.00004	14.6
125.06029	1.0
125.09622	2.1
130.07771	0.9
131.08575	2.1
133.10156	1.8
135.08037	2.0
135.11700	13.8
136.12044	1.0
137.09569	1.7
137.13222	1.4
139.11150	1.4
142.79138	0.8
144.10190	3.0
145.10123	10.7
147.08037	1.1
149.09560	0.8
149.13277	2.3
152.07791	0.7
153.12726	2.3
155.08574	0.9
162.11259	1.4
163.11188	17.7
175.27879	0.8
181.12260	1.9
184.07339	72.8
185.07735	1.1
191.10658	2.3
209.11760	5.1
210.97592	1.1
227.12805	3.5
233.22623	1.4
235.66931	0.7
236.14932	15.5
237.15253	1.3
250.57437	0.7
251.23627	2.3
271.15372	1.1
283.15393	100.0
284.15710	4.9
301.12817	1.0
325.27359	73.1
326.27731	5.8
337.27493	1.1
456.37265	1.5
474.37756	2.2
533.38391	48.9
534.38708	5.4
643.41693	1.2
694.51465	0.8
730.50903	15.8
731.42633	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.4
55.05513	9.1
57.03439	4.1
57.07071	8.4
67.05508	9.1
69.07064	14.4
71.08633	6.3
79.05498	18.7
81.03413	4.5
81.07071	5.1
83.01337	4.9
83.04958	1.4
83.08627	9.2
85.02902	1.7
85.10164	2.6
86.09723	1.9
91.05484	34.4
93.07044	14.7
95.04955	2.0
95.08625	4.7
97.02916	1.3
97.06532	2.2
97.10180	8.0
105.07043	3.0
107.04953	3.9
107.08598	17.3
109.06506	1.8
109.10177	2.5
111.04455	1.0
111.11740	2.7
115.05482	3.0
117.07020	30.1
119.08566	3.0
121.97941	1.2
125.09711	1.3
125.13220	1.5
129.07047	1.1
135.08063	49.8
145.06465	2.2
149.13171	1.2
153.09061	3.2
153.58795	1.1
158.71661	1.0
163.07536	16.4
163.08759	1.7
164.80142	1.1
181.08661	5.0
184.07370	4.5
187.95357	1.1
199.09645	5.0
236.14943	3.9
250.75658	1.1
255.12282	100.0
256.12735	5.2
266.81177	1.2
486.79370	1.1
601.50854	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	730.5673
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65559	0.9
53.16775	0.9
55.05508	5.5
57.03446	1.4
57.07081	32.3
58.06606	2.2
58.07413	1.2
60.08159	1.4
67.05516	9.4
69.06714	6.7
69.07092	7.4
69.07368	1.2
71.04990	1.4
71.08636	32.1
73.06561	10.7
79.05502	4.2
81.03413	2.2
81.07064	8.3
82.07410	1.4
83.05007	1.7
83.08620	7.2
85.02897	1.1
85.10191	18.8
86.09725	4.2
87.04474	10.8
89.06037	100.0
90.06381	1.2
91.05482	4.7
91.07607	1.0
93.07057	4.6
95.04984	1.7
95.08624	6.9
97.06553	1.5
97.10168	6.5
99.08130	2.0
99.11740	3.9
105.07037	3.8
107.07082	2.9
107.08602	3.0
109.10157	4.4
111.08106	1.4
111.11706	2.8
113.13345	1.6
117.07041	3.2
117.09151	9.4
119.08598	3.3
121.10136	2.8
124.99996	1.3
125.13252	1.0
129.06931	1.0
130.08676	1.8
131.07033	3.5
131.08571	1.6
133.08611	53.6
134.08917	2.0
135.10165	1.2
135.11714	1.3
141.16356	1.7
143.08551	2.0
145.10143	1.6
151.11172	2.1
155.17966	1.8
159.11656	1.1
161.09613	1.1
161.11760	2.0
171.11818	1.1
175.09712	1.8
177.11237	22.1
184.07323	12.9
210.97697	2.3
211.24112	2.0
219.12164	1.2
221.13826	4.2
229.14273	2.2
230.57663	1.1
236.15028	4.0
255.12352	1.8
255.26932	2.9
265.16437	1.6
295.19250	2.3
299.29535	5.5
311.25735	1.3
313.27377	2.9
314.27545	1.2
343.32144	4.1
375.25476	1.2
467.37219	1.4
469.38028	1.8
503.30563	1.5
595.39996	1.4
601.50867	2.9
629.16132	1.0
659.37030	1.1
680.50549	1.3
713.53583	2.3
730.54315	3.1
731.33118	2.3
731.49677	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.9
53.03939	1.3
55.01862	2.5
55.05506	6.0
57.03433	4.9
57.07051	1.4
61.02925	1.8
65.03941	1.7
67.05506	16.1
68.05800	2.1
69.03415	2.3
69.07064	4.9
71.07088	1.7
77.56692	0.9
79.05486	14.1
80.05817	1.9
81.03403	3.1
81.07057	15.6
82.07370	2.3
83.04978	1.8
83.05761	1.0
83.08621	3.8
85.02901	2.8
86.09714	1.4
91.05479	10.7
92.05805	1.7
93.07045	11.8
95.04950	2.8
95.08607	9.6
97.02893	2.5
97.06503	1.6
97.10164	1.3
99.04396	1.1
101.44784	1.1
105.07025	5.7
106.07356	1.6
107.04908	1.4
107.08564	6.6
108.08891	1.0
109.10140	3.9
111.08088	1.2
117.07020	4.3
118.07342	1.5
119.08592	5.1
120.08083	1.0
121.06495	1.3
121.10130	5.5
131.08565	2.8
133.10115	4.2
135.08060	6.1
135.11642	2.7
139.07570	1.0
143.08565	1.3
145.02122	1.0
145.10118	3.5
147.11656	1.8
159.11659	1.7
163.07538	4.0
169.12968	1.1
179.10524	1.6
181.08598	1.5
184.07368	4.9
208.09924	1.5
223.12241	2.1
225.13800	2.5
236.15060	1.6
237.13855	1.3
239.15453	1.3
255.12332	7.5
256.12436	3.3
257.13611	1.1
261.22153	1.9
262.22516	1.6
265.09772	1.0
273.13281	2.2
283.15228	2.3
299.14761	3.1
300.15219	1.2
302.12781	1.2
307.22842	1.3
309.24216	4.0
310.24634	2.3
335.25720	3.8
336.26144	4.3
355.13074	1.4
370.15381	1.4
382.15399	1.1
389.17789	1.1
391.19199	1.8
405.20978	2.0
416.16177	1.2
417.17096	2.8
419.22513	2.1
431.18954	1.3
432.19299	1.6
435.18311	2.2
439.15424	1.5
441.16949	1.3
447.21594	3.8
449.19785	3.6
450.20477	3.3
458.16998	1.3
459.17163	1.3
461.23599	1.3
463.21112	1.9
464.22092	2.2
465.22891	2.8
472.18863	1.7
473.19394	2.3
474.20218	1.2
479.24176	4.7
480.24976	1.9
487.21689	1.5
488.21637	1.8
491.20923	1.3
493.22333	1.3
501.19128	3.3
505.22452	1.7
506.22913	3.7
507.24005	12.8
508.24084	2.1
515.20917	3.0
515.33008	1.9
516.21210	4.2
516.33752	5.5
517.22046	2.6
517.35614	2.0
519.23871	1.4
520.24548	1.8
521.25903	6.1
533.21655	4.1
533.34412	1.7
534.35010	4.8
537.24847	3.2
548.24005	6.2
549.24628	1.6
552.27209	2.0
553.27716	1.3
565.24408	5.8
579.25958	5.8
580.26746	100.0
581.27063	12.4
606.88910	1.1
607.25439	10.3
608.25940	2.1
623.28241	3.0
635.24982	16.7
636.24652	2.5
639.27795	3.1
647.15100	1.2
667.27545	40.4
668.27991	7.7
699.30560	1.5
731.37079	10.2
732.36713	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01876	1.1
55.05515	1.2
55.37874	0.3
55.38185	0.3
57.03445	1.8
60.58387	0.3
61.02930	4.5
61.33046	0.3
67.05501	2.3
69.03427	2.9
69.07068	5.9
71.01340	0.4
71.04996	0.8
71.29253	0.5
73.02917	2.5
74.57426	0.3
79.05500	3.0
81.03417	2.8
81.07063	4.1
83.01350	0.6
83.04995	1.5
83.08646	0.8
85.02896	3.7
86.09732	0.3
91.03957	2.3
91.05486	3.5
93.07038	3.4
95.04998	1.0
95.08603	1.3
97.02888	3.3
97.06553	1.0
97.10165	0.4
99.04459	0.9
101.02377	1.8
105.07014	1.8
107.04980	1.8
107.08595	2.0
109.02893	0.8
109.06537	1.4
109.10164	0.5
117.07047	1.4
119.08623	0.9
121.10136	1.7
123.08091	1.0
127.03953	1.2
129.06985	0.7
131.08566	1.9
133.06491	0.4
133.10170	1.0
135.08075	1.2
135.11700	0.9
145.05016	0.5
145.10158	1.3
149.09627	2.9
151.11189	0.8
163.11171	1.8
177.26944	0.4
182.45522	0.5
184.07387	0.9
185.04279	0.5
243.08420	2.5
255.80791	0.3
273.43338	0.4
287.16159	2.5
305.13516	0.4
343.18924	0.9
439.15985	0.4
454.63138	0.3
467.18826	4.7
468.19144	0.6
505.24078	8.4
506.24960	0.5
569.30719	0.6
647.30786	0.4
699.26428	1.0
731.36060	100.0
732.36432	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	731.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.01870	1.3
55.05511	1.4
57.03431	1.4
59.05011	0.3
61.02921	3.4
67.05509	3.1
68.34644	0.3
69.03427	2.4
69.07068	1.9
70.16337	1.1
71.04993	0.6
73.02915	2.5
79.05489	4.4
81.03416	1.9
81.07050	2.7
83.01367	0.4
83.04998	0.8
83.08617	0.5
85.02901	3.9
86.09711	0.4
86.73801	0.3
91.03955	2.2
91.05479	6.9
93.07040	4.3
95.01338	0.4
95.04981	1.0
95.08601	1.7
97.02890	3.7
97.06543	1.0
99.04422	0.4
101.02390	1.6
105.07024	2.3
107.04980	1.3
107.08614	2.6
109.06550	0.5
109.10185	0.6
111.04514	0.4
115.05433	0.4
117.07008	3.3
119.08565	1.9
121.06460	0.4
121.10143	1.1
123.08010	0.5
127.03893	1.1
131.08565	1.2
133.10139	1.4
135.08032	3.6
135.11674	0.6
137.09628	0.3
145.10150	1.0
147.11670	0.9
149.09660	0.9
149.23872	0.3
159.11749	1.0
159.95538	0.3
163.11209	0.8
166.47417	0.4
179.14333	0.5
184.07375	1.0
203.05391	0.3
209.11617	0.5
233.18961	0.5
233.28505	0.4
243.08398	2.0
255.12505	0.4
277.10535	0.5
287.16080	0.4
303.06915	1.3
315.19388	3.1
411.16647	0.7
439.15732	8.3
440.16281	1.0
467.18991	0.9
505.24286	0.7
516.33997	0.6
533.27118	3.5
603.21722	0.4
656.27301	0.4
667.25452	0.5
709.43481	0.4
731.36029	100.0
732.36328	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	731.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.01889	1.5
55.05515	1.4
57.03440	1.4
59.05014	0.3
61.02929	3.5
65.48935	0.3
67.05509	2.3
69.03431	2.2
69.07068	5.4
71.01377	0.6
71.05018	0.4
73.02918	2.9
79.05501	3.2
81.03419	2.2
81.07054	2.3
83.05011	1.2
83.08633	0.7
83.13250	0.3
85.02896	3.6
91.03955	1.9
91.05487	3.4
93.07035	3.5
95.04985	1.3
95.08627	1.0
97.02888	3.4
97.06545	1.2
99.04463	0.9
101.02370	1.7
103.03952	0.3
105.07018	1.6
107.04947	2.0
107.08598	1.6
109.02890	0.7
109.06545	1.3
109.10134	0.4
117.07055	1.1
119.08595	0.7
121.06513	0.4
121.10154	1.3
123.08114	0.3
125.09653	0.3
127.03922	1.2
131.08533	1.6
133.06535	0.4
133.10153	0.9
135.08102	1.0
135.11729	0.9
145.10124	1.3
149.09608	2.2
151.11212	0.6
159.08156	0.5
163.11214	1.6
166.67282	0.3
177.09203	0.4
184.07382	0.6
203.05269	0.4
216.80893	0.3
243.08401	2.2
244.08809	0.3
249.11131	0.3
287.16223	2.7
343.18820	1.0
423.16202	0.3
467.18909	6.2
468.19397	0.8
505.24063	9.1
506.24670	0.7
699.25964	0.3
731.36047	100.0
732.36426	19.5
732.50171	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12821	0.3
53.03944	0.6
55.01880	0.7
55.05506	1.6
57.03436	1.4
57.07077	0.4
61.02923	3.8
65.03933	0.6
67.05505	4.2
69.03429	2.4
69.06815	0.6
69.07212	1.4
70.06597	0.7
71.05016	0.5
73.02923	2.4
79.05492	4.7
81.03416	2.6
81.07059	3.9
83.05008	1.0
83.08630	0.7
85.02905	3.5
86.09727	0.5
86.73019	0.3
88.07626	0.9
91.03957	2.0
91.05481	6.1
93.07041	4.1
95.04990	1.1
95.08591	1.7
97.02890	3.1
97.06567	0.5
98.03263	0.3
98.79661	0.3
99.04474	0.6
99.08109	0.4
101.02370	1.5
102.09221	0.5
105.07021	4.2
107.04974	1.2
107.08591	2.2
109.02893	0.9
109.06532	0.4
109.10152	0.9
115.03933	0.4
117.06998	1.6
119.08591	2.4
121.10172	1.4
123.08085	0.5
127.03947	0.8
129.05527	0.5
129.07054	1.2
131.08574	1.0
133.10121	3.1
133.10876	0.3
135.08073	0.5
135.11705	0.8
136.00732	0.3
143.08601	0.7
144.63882	0.3
145.05040	0.3
145.10164	1.1
147.11745	1.4
149.02374	1.3
149.09657	0.7
149.13306	0.4
150.02692	0.3
157.10240	0.4
161.09657	0.7
161.13293	0.4
163.11250	0.5
171.11722	1.1
173.13245	0.3
184.07312	0.9
185.04349	0.8
193.05040	0.9
194.05434	0.7
219.10062	0.3
238.98032	0.3
243.08379	2.4
247.13216	0.6
281.17587	0.4
284.29562	1.1
285.29913	0.5
289.17923	0.6
301.09232	0.6
315.10443	0.5
341.11713	0.5
371.73221	0.3
430.12347	0.6
437.17859	4.3
444.09024	0.3
453.18018	0.3
465.20926	3.3
507.25812	3.9
509.20123	0.5
516.34277	0.5
534.34674	0.4
535.28778	2.3
537.23218	1.3
569.34717	0.5
655.26575	0.4
661.32111	0.6
681.25616	0.4
699.28961	0.5
725.57635	0.4
731.39746	100.0
732.40015	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	732.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
55.05503	0.3
57.03443	0.3
63.79515	0.2
65.03941	0.6
69.03432	2.5
71.04993	0.3
71.29703	0.3
72.64552	0.2
80.05036	0.3
81.03419	1.8
82.52106	0.2
83.04974	0.7
85.02415	0.3
85.02902	1.5
91.05488	3.6
91.23717	0.2
95.04993	0.2
95.54626	0.1
97.02899	5.4
99.04456	0.6
103.05511	0.2
105.07014	0.5
107.04986	0.2
109.02888	0.6
111.04444	2.9
112.60341	0.2
115.03937	4.4
119.04951	11.4
120.05275	0.5
127.03941	1.1
131.04935	1.5
133.06461	0.3
141.06995	0.2
147.04414	100.0
148.04749	3.6
149.06023	0.4
157.06544	0.3
159.04427	3.4
163.03967	0.2
165.05484	2.8
171.08075	1.0
177.05490	0.8
181.06487	0.4
185.06024	0.4
197.05978	0.3
199.07556	0.6
227.06984	0.9
243.96214	0.2
261.07581	0.6
273.07413	0.2
291.08737	1.0
309.09683	20.1
310.10098	1.0
331.71014	0.2
387.10510	0.3
405.11792	0.8
423.12930	1.5
584.33954	0.2
740.28979	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	2.4
53.03939	3.4
55.01872	3.5
55.05514	29.0
57.03443	12.1
57.07072	7.7
58.06590	1.1
59.04994	2.0
60.08158	1.4
61.02931	4.8
62.89223	0.7
65.03938	1.9
67.05505	29.5
69.03424	3.2
69.07069	27.3
70.44366	2.2
71.01349	1.9
71.04990	2.1
71.08634	4.1
73.02911	2.9
73.06541	0.8
79.05493	19.7
81.03423	5.8
81.07053	41.2
82.07389	1.8
83.04988	3.8
83.08624	30.8
84.08937	0.8
85.02910	5.0
85.06546	2.4
85.10175	2.3
86.09713	4.8
87.04482	1.2
89.06039	6.4
91.03956	1.2
91.05486	19.7
92.05821	0.8
93.07045	25.7
95.04984	4.6
95.08608	21.0
97.02882	5.6
97.06541	5.4
97.10161	10.5
99.00814	15.9
99.04467	1.2
99.08109	1.9
99.98630	0.8
103.05475	1.4
105.04488	1.0
105.07034	17.9
107.04962	4.9
107.08597	14.4
109.02885	9.6
109.06508	3.8
109.10169	9.3
111.04449	1.5
111.08073	5.9
111.11726	2.3
113.05981	1.2
113.09632	1.0
115.03938	2.9
117.07033	3.1
119.08580	8.2
121.06495	8.3
121.10148	13.1
123.04426	2.2
123.08060	1.1
123.11694	6.1
124.99980	4.0
125.09638	2.7
127.03908	3.6
128.06194	1.4
131.08572	2.1
133.06514	1.4
133.08672	4.0
133.10127	32.2
134.10439	0.9
135.08041	2.1
135.11684	9.0
137.06009	2.2
137.09605	1.3
137.13217	1.8
139.07504	2.4
139.11172	2.1
143.08580	3.9
145.10123	1.7
147.08046	1.4
149.09537	0.9
149.13258	2.2
151.11174	11.8
161.09624	16.6
161.13275	0.8
162.09947	1.2
163.14830	1.4
165.09122	1.1
166.39970	0.8
171.08080	3.5
177.11194	1.0
177.16389	0.9
179.10707	8.4
184.07335	15.3
185.07686	1.1
189.09134	6.5
195.00140	1.1
197.11812	3.1
207.10150	2.5
219.21106	2.6
225.11240	10.8
236.14928	3.5
237.22153	3.7
243.12294	3.2
276.22470	0.8
280.39899	0.8
281.13855	4.4
283.15356	3.2
299.14896	100.0
300.15213	5.3
309.24286	1.7
311.25793	95.9
312.26096	7.2
517.35168	2.5
535.36292	65.2
536.36743	7.1
590.20233	0.8
618.04523	0.9
636.26184	1.0
732.39612	6.3
733.40680	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	2.9
53.03945	1.8
53.52983	0.9
54.20599	1.0
55.01855	3.7
55.05511	24.1
55.44712	1.0
57.03432	13.1
57.07075	15.3
58.06593	3.0
59.05000	2.2
59.07316	1.5
60.08155	3.6
61.02918	3.4
63.07069	1.1
65.03918	2.1
67.05501	25.0
69.03454	1.6
69.07069	23.5
69.79170	5.1
71.01328	1.2
71.04992	2.6
71.07363	1.5
71.08631	10.7
73.02915	2.3
73.06536	3.3
75.04493	1.1
77.86339	1.0
79.05490	15.4
81.03407	5.2
81.06584	2.0
81.07056	34.1
83.04974	3.2
83.08150	1.8
83.08618	25.9
85.02892	3.7
85.06567	1.5
85.10166	4.7
86.09700	14.7
87.04452	4.0
89.06028	27.6
91.04913	1.3
91.05473	17.0
93.07043	25.0
95.04955	3.5
95.08607	16.1
97.02882	4.8
97.06512	6.5
97.10168	10.1
98.98427	1.1
99.00806	15.6
99.08096	2.0
99.11658	1.3
103.05438	1.2
105.07033	16.2
107.04955	4.1
107.07040	1.9
107.08587	13.3
109.02880	10.5
109.06496	2.7
109.10170	10.2
111.04460	1.5
111.08070	4.6
111.11687	1.1
113.05981	1.3
115.03960	2.5
117.07030	2.8
117.09116	2.3
119.08585	7.9
121.06493	5.2
121.10135	11.3
122.10470	1.1
123.04452	1.6
123.08093	1.9
123.11735	5.5
125.00001	8.6
125.04994	1.0
125.09601	1.5
127.03900	3.0
128.06169	2.1
131.08615	1.6
133.08614	13.6
133.10114	24.9
135.07993	2.1
135.11729	6.4
137.05991	2.0
137.09642	1.3
137.13222	2.0
139.07556	1.9
139.11134	1.1
143.08539	3.9
149.13226	2.0
151.11179	8.0
161.09618	15.3
163.11215	1.2
163.14925	1.3
169.19525	1.8
171.08025	2.6
173.13203	1.2
177.11240	4.5
179.10678	6.7
184.07339	32.9
184.08961	2.3
185.07697	3.4
186.07774	1.6
189.09120	5.6
195.00249	2.4
197.11668	3.0
205.28421	1.1
207.10139	2.9
210.03458	1.1
219.21208	1.7
225.11259	8.7
236.14917	8.3
237.22110	2.0
243.12328	2.2
256.88211	1.1
257.24753	1.8
281.13849	3.2
283.15359	1.2
299.14880	100.0
300.15152	6.3
301.27502	1.2
311.25778	68.0
312.26089	3.9
325.22443	1.3
326.43524	1.2
328.46561	1.1
335.03485	1.2
515.30884	1.2
535.36322	37.6
536.36426	4.6
560.36597	1.9
635.24078	1.5
636.25690	3.9
732.49329	2.5
733.40216	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.2
56.05033	0.7
57.03433	0.2
57.07062	0.4
58.06616	0.6
59.07397	0.2
60.08166	5.7
66.22896	0.1
67.05508	0.5
69.07077	0.2
71.07370	3.4
71.08632	0.3
79.05483	0.4
81.07075	0.6
83.08676	0.1
84.29449	0.1
86.09705	29.0
87.10051	0.4
89.06044	0.1
91.05475	0.3
93.07056	0.4
95.04974	0.1
95.08595	0.4
97.10176	0.3
98.98465	3.6
104.10748	2.1
105.07048	0.2
107.08622	0.2
109.06528	0.1
109.10162	0.2
111.08069	0.1
119.08575	0.2
121.10123	0.1
125.00005	20.1
126.00317	0.1
128.85236	0.1
143.01062	0.3
144.10179	0.1
144.95781	0.1
163.11169	0.1
184.07343	100.0
185.07712	2.1
199.14996	0.1
223.13261	0.1
236.14954	0.6
283.15472	0.2
297.16983	0.3
313.27313	0.7
339.28885	0.1
353.42612	0.1
376.93442	0.1
420.60959	0.1
467.37531	0.1
506.36206	0.1
524.36932	0.2
535.40021	0.6
682.50940	0.2
732.47894	4.2
733.48157	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.8
56.05041	0.8
57.03436	0.4
57.07076	0.5
58.06570	0.8
59.07405	0.2
60.08163	5.9
67.05512	1.1
69.03429	0.2
69.07058	0.8
69.76933	0.6
71.07373	3.5
71.08617	0.3
75.00045	0.1
79.05506	0.8
81.03416	0.4
81.07051	1.3
83.04977	0.1
83.08625	0.6
85.02859	0.2
86.09702	31.8
87.04446	0.1
87.09421	0.1
87.10033	0.7
89.06036	1.0
91.05474	0.9
93.07033	0.8
95.04972	0.3
95.08617	0.7
97.02968	0.1
98.98464	3.9
104.10751	2.3
105.07038	0.6
107.08611	0.4
109.10167	0.3
117.07033	0.2
119.08577	0.4
121.10146	0.4
123.11671	0.2
125.00001	22.0
131.08582	0.2
133.08588	0.4
133.10146	0.4
135.07991	0.2
135.11647	0.2
143.01042	0.2
145.10193	0.2
177.11116	0.2
184.07335	100.0
185.07692	2.4
187.64803	0.2
195.00285	0.4
236.14861	0.7
249.49208	0.1
267.15826	0.2
299.14920	1.1
309.24237	0.2
311.25729	1.0
468.23511	0.2
521.37610	0.2
535.36157	0.6
560.36469	0.3
561.37207	0.3
636.24921	0.2
668.27472	0.2
720.08911	0.2
732.48114	2.9
733.48407	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.4
55.01871	0.9
55.05513	6.0
56.05022	0.9
57.03446	6.4
57.07081	9.6
58.06593	1.7
60.08163	7.1
61.02922	1.9
67.05183	1.2
67.05507	13.1
69.03421	1.6
69.07071	5.1
71.07366	4.6
71.08640	8.2
73.02888	0.9
79.05491	7.2
79.22556	0.7
81.03416	3.2
81.07053	12.8
83.04954	1.9
83.08614	5.7
85.02897	2.6
85.10179	4.4
86.09706	33.1
89.05998	1.0
91.05496	5.9
92.94655	0.7
93.07038	5.6
94.85130	0.7
95.04961	4.2
95.08608	7.3
97.02870	1.1
97.06541	1.5
97.10168	4.0
98.23438	1.8
98.98451	4.2
104.10744	2.1
105.07005	3.9
107.04954	1.9
107.08595	4.5
109.06497	1.0
109.10146	4.7
112.16151	0.8
117.07008	2.3
119.08584	2.0
121.06478	0.8
121.10183	2.1
123.11640	0.9
125.00003	21.8
125.09631	1.8
131.08600	1.8
133.10115	2.3
135.08044	1.9
137.13199	0.9
145.10101	1.7
151.11139	0.8
159.11687	1.9
184.07343	100.0
185.07686	2.3
187.11197	1.4
189.11197	2.8
205.12239	2.0
211.94017	0.8
223.13313	11.5
227.12727	2.7
229.36369	1.0
236.14925	2.3
271.15405	1.5
279.15927	0.9
283.15332	1.6
297.16959	32.9
298.17136	2.2
310.23071	0.8
313.27335	21.1
314.27628	2.1
327.28888	1.7
339.28900	2.3
459.65689	0.9
467.37070	2.8
517.37714	0.8
535.39972	16.5
536.40009	3.6
575.19592	0.9
628.47809	1.1
732.46710	3.8
732.58856	1.5
733.46649	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	732.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.7
55.01871	6.5
55.05515	13.6
57.03436	14.3
57.07079	35.8
58.06612	2.9
59.04994	2.7
60.08154	5.5
61.02928	2.1
67.05502	22.1
69.07072	9.4
71.04991	4.0
71.07367	3.1
71.08631	26.4
73.02888	2.9
79.05494	15.5
81.03405	10.4
81.07061	26.6
83.01341	6.2
83.04980	8.5
83.08611	18.7
85.02906	6.0
85.10185	13.9
86.09715	28.8
89.06029	5.9
91.05499	12.8
93.07038	17.1
95.04953	5.2
95.08607	23.1
97.02911	2.5
97.06509	3.8
97.10173	6.1
98.98474	2.1
99.04446	2.5
104.10765	2.0
105.07050	6.2
107.04944	4.9
107.08601	8.2
109.06527	6.1
109.10158	13.7
111.11696	2.0
117.07010	6.3
119.08580	7.0
121.06542	2.2
121.10157	5.5
123.08056	4.6
123.11724	2.5
125.00014	16.3
131.08585	3.0
133.10124	2.1
135.11667	10.1
138.91972	1.6
145.10141	9.3
147.08058	1.8
153.12820	2.6
163.11183	17.7
184.07349	86.9
185.07706	2.0
209.11734	5.5
210.76302	1.8
227.12689	3.2
236.14920	7.7
283.15411	79.4
284.15646	3.4
313.27402	3.0
327.28940	100.0
328.29312	8.2
399.98282	1.6
535.39941	90.1
536.40240	11.4
732.45642	2.3
732.57568	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	733.3551
Annotation	Manassantin A
Peak:m/z	Relative Intensity
55.97278	0.7
57.03436	1.3
67.05519	4.1
69.07066	1.5
69.08541	2.1
69.08946	6.0
79.05490	2.8
81.03437	1.3
81.07044	3.3
83.04989	1.0
86.09721	1.1
89.06016	0.8
91.03965	0.9
91.05488	3.1
93.07073	2.3
95.04939	1.1
95.08605	3.1
97.02886	0.8
101.18681	0.8
105.07033	1.2
107.08567	1.4
110.26511	0.8
112.35456	0.8
117.07043	0.8
119.08606	1.0
121.10176	0.9
131.08562	1.2
133.10118	1.1
135.11674	1.1
145.10097	1.7
163.11140	1.3
184.07378	4.1
236.14850	1.2
283.15479	2.3
284.15884	1.1
309.24341	1.7
323.84860	1.0
507.23767	1.1
517.34814	1.2
518.35565	2.2
605.46191	0.8
733.35400	100.0
734.35669	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	733.3555
Annotation	Manassantin A
Peak:m/z	Relative Intensity
55.01871	1.8
55.05506	3.9
57.03441	1.8
57.07079	1.7
67.05505	5.9
69.07081	3.3
71.08613	1.4
79.05505	5.9
80.05836	1.2
80.93994	1.2
81.03416	3.2
81.07059	8.9
81.17222	1.4
82.12399	1.4
83.08622	2.6
86.09702	4.5
89.06042	6.4
91.05495	3.0
93.07066	3.8
95.05009	1.6
95.08625	4.0
98.23360	3.9
105.07035	2.6
107.08586	3.3
108.08995	1.2
109.10168	1.8
117.06997	2.1
119.08566	2.2
121.10201	2.3
125.00024	2.9
125.09682	1.5
133.08646	2.5
135.08072	1.8
135.11676	1.3
145.10143	1.4
149.09599	1.6
177.11238	2.3
184.07344	16.9
209.11957	1.5
216.26906	1.5
236.14943	2.7
283.15411	3.7
309.24432	1.5
311.25928	4.0
324.18954	6.3
391.19617	1.6
404.25229	2.1
421.20526	4.7
437.27591	1.6
449.27469	1.9
477.26291	1.5
489.27118	3.1
504.27972	1.5
507.27823	4.8
517.34937	1.8
518.35583	1.6
519.36609	3.7
534.28687	1.8
536.36554	2.0
537.37280	2.1
561.37122	2.9
607.24780	1.7
609.24475	1.8
641.25574	2.9
655.28558	1.5
715.30463	2.1
733.35400	100.0
734.44531	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01856	0.7
55.05507	1.2
57.03432	1.8
58.91750	0.3
59.04988	0.3
61.02929	3.9
67.05500	2.1
69.03424	2.5
69.07061	0.5
71.01357	0.5
71.02382	0.3
71.04991	0.6
71.08631	4.7
73.02911	2.6
73.69890	0.3
73.97489	0.3
75.04456	0.3
79.05492	2.5
81.03416	2.8
81.07060	2.5
82.03766	0.3
82.50204	0.3
83.01344	0.4
83.04985	0.9
83.08620	0.8
85.02903	3.3
86.96381	0.3
91.03963	2.3
91.05485	3.1
93.07042	2.7
95.04982	0.5
95.08617	1.3
97.02903	3.1
97.06543	0.5
97.86262	0.3
98.22540	0.5
99.04469	0.7
99.08087	2.5
101.02369	1.6
105.07038	1.8
107.04929	1.8
107.08594	1.3
109.02890	0.5
109.06525	0.7
109.10144	0.7
115.03952	0.3
117.07023	0.8
119.08589	0.8
121.10151	0.9
123.08156	0.5
127.03941	1.1
131.08591	0.4
133.10139	1.1
134.05978	0.3
135.08089	1.2
135.11707	0.8
136.12158	0.4
145.10130	0.9
149.09636	0.9
151.11183	2.2
163.11127	1.5
167.12878	0.3
168.47095	0.2
184.07379	0.9
225.98695	0.3
236.14882	0.5
243.08366	2.2
264.26968	0.3
267.15796	0.3
281.13007	0.4
283.15149	0.3
289.04520	0.3
289.17764	2.5
289.20746	0.4
345.20456	1.2
467.18896	6.7
507.25635	8.6
508.26053	0.8
571.32635	0.4
647.30585	0.5
669.29657	0.3
701.28339	0.3
716.47302	0.4
733.37524	100.0
734.37897	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	733.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01870	1.2
55.05505	1.2
57.03429	1.7
59.05013	0.6
59.91453	0.4
61.02927	4.4
65.03923	0.5
67.05510	4.3
67.16537	0.4
69.03445	2.5
69.07055	1.1
69.49596	1.6
71.04996	1.0
73.02911	3.3
79.05493	5.1
80.77177	0.3
81.03413	2.1
81.07055	3.0
83.04955	0.8
83.08610	0.5
85.02903	4.8
85.06562	0.5
87.04474	0.7
91.03955	2.7
91.05475	7.3
93.07050	4.5
95.04989	2.4
95.08620	1.9
97.02889	3.3
99.04475	0.9
99.08045	0.5
101.02393	1.5
105.07032	3.0
107.04939	0.6
107.08593	3.4
109.02876	1.0
109.06518	1.3
109.10151	1.1
117.07005	3.4
119.08581	2.3
121.10146	1.0
127.03874	0.9
129.05458	0.6
131.08582	1.2
133.10103	1.0
135.08047	4.0
135.11703	0.7
143.08612	0.7
144.07925	0.4
145.10158	0.7
147.04482	0.5
147.11624	1.0
159.11668	1.1
161.13225	0.6
163.11334	0.6
165.72676	0.4
171.11696	0.6
184.07350	0.5
185.04222	0.6
201.03694	0.5
205.11993	0.4
221.07939	0.5
243.08353	2.4
247.13098	1.1
255.12265	0.4
273.18503	1.0
277.10461	0.5
291.19571	1.5
301.08978	0.6
303.06705	0.9
397.23584	0.5
411.16220	0.6
439.15698	7.5
440.16574	0.6
465.20917	0.7
535.28711	3.9
571.36719	0.7
733.37463	100.0
734.37720	13.0
734.49866	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
55.01868	0.9
55.05515	1.4
56.80233	0.2
57.03431	1.6
58.16717	0.2
61.02929	4.8
67.05168	0.4
67.05502	3.5
67.25925	0.2
69.03432	2.7
69.07056	1.3
71.01356	0.6
71.04999	0.6
71.43355	0.2
73.02921	3.9
79.05498	3.3
81.03429	2.2
81.07053	2.9
83.01342	0.7
83.05004	0.6
83.08634	0.7
85.02908	4.7
85.06551	0.4
91.03955	2.7
91.04897	0.4
91.05485	5.0
93.07053	4.3
94.39812	0.3
95.01886	0.2
95.04979	1.0
95.08612	1.9
97.02896	4.6
97.06535	0.3
99.04483	0.6
101.02392	1.9
103.04008	0.4
105.07039	3.5
107.04984	0.6
107.08613	2.0
109.02894	0.6
109.06498	0.5
109.10156	0.9
111.04417	0.5
115.03987	0.3
117.07000	1.2
119.08580	2.6
121.06525	0.3
121.10130	1.6
123.08102	0.7
127.03905	1.2
129.05496	0.9
129.07036	1.0
131.08591	1.2
133.10136	2.3
135.08165	0.4
135.11707	1.2
143.08595	0.5
145.05025	0.4
145.10114	1.9
147.11661	1.2
149.09679	0.4
155.08562	0.3
157.10147	0.8
159.11752	0.3
161.11679	0.2
161.13173	0.3
163.11208	1.1
171.11714	0.5
173.09695	0.4
184.07481	0.3
185.04219	0.8
203.05406	0.3
231.17398	0.3
243.08417	3.2
246.57329	0.2
247.13206	0.4
249.11012	0.8
301.09097	0.3
313.08923	0.3
315.10526	0.5
357.15320	0.5
369.15283	0.3
373.10910	0.3
399.68607	0.2
417.28763	0.3
437.17703	1.3
467.18890	6.1
467.25513	0.3
468.19019	0.5
469.20773	0.3
489.90817	0.2
507.25623	8.7
508.26089	0.9
539.20776	1.6
551.58020	0.3
553.26581	0.3
635.30371	0.5
663.29993	0.5
733.37598	100.0
734.37872	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	1.1
56.81199	0.3
57.03448	0.8
57.07067	0.5
63.96672	0.3
65.67233	0.3
67.05502	2.1
69.07074	1.3
69.55769	0.4
69.56117	1.4
70.36655	0.3
71.08618	0.4
79.05508	1.6
81.07054	1.9
83.05000	0.4
83.08645	1.4
84.48039	0.3
86.09734	1.9
91.05512	1.0
93.07047	1.5
95.04998	0.6
95.08623	1.1
97.06553	0.8
97.10186	0.3
98.02164	1.5
98.23325	0.5
105.07039	0.7
107.04992	0.5
107.08595	0.8
108.07902	0.4
109.10204	0.4
114.79420	0.3
117.07085	0.4
119.08627	0.5
121.10158	0.8
123.11725	0.4
125.00011	0.4
145.10114	0.5
147.11710	0.4
154.08449	0.6
163.11250	0.5
164.06905	1.4
173.09735	0.3
177.10077	0.4
179.67726	0.4
181.12320	0.3
184.07344	3.0
194.08031	0.6
195.71999	0.3
205.09575	0.7
206.08040	0.6
209.11800	1.0
211.10507	2.9
221.09056	0.5
224.08931	0.8
227.12912	0.5
261.15729	0.5
267.16821	0.4
273.15903	1.2
278.18619	0.5
279.13318	0.7
280.15433	0.3
283.15369	2.0
284.15527	0.4
288.17038	0.6
291.16705	1.5
299.15149	0.4
301.16461	0.7
307.16440	0.5
311.25729	2.3
313.27582	0.7
318.17859	1.7
319.16418	1.1
324.18930	11.5
325.19501	0.6
334.17557	1.4
336.19022	0.3
337.17331	0.5
346.17755	0.6
346.24863	0.5
350.17053	0.8
360.50482	0.4
364.18445	0.5
374.24539	0.5
386.23999	1.9
391.19489	5.9
391.27072	0.6
392.20236	0.5
393.21686	0.4
402.23947	0.5
403.19385	1.6
404.25266	2.5
421.20569	13.6
422.21121	1.2
432.24805	0.7
437.20383	2.0
437.27585	5.9
438.27124	0.7
449.27319	2.8
450.25998	0.7
461.27161	2.0
463.25592	0.7
471.26492	0.4
477.26782	2.0
479.27896	0.7
488.28415	0.6
489.26819	6.0
504.27805	2.7
505.28412	0.4
506.29617	0.7
507.27945	12.3
508.27936	1.5
516.28510	1.0
518.32184	0.5
519.36719	1.7
534.28967	5.7
535.29382	0.7
537.38000	1.4
550.28564	0.6
551.34271	1.1
562.35931	2.2
563.36743	0.6
574.35541	1.5
590.35718	1.1
592.37048	0.6
602.35303	1.4
603.34467	0.4
620.36139	2.4
621.34546	0.9
644.21698	0.4
648.35846	1.2
716.41925	1.6
734.43347	100.0
735.43848	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	734.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	2.9
53.03752	0.7
53.03993	2.1
55.01912	2.4
55.05513	13.0
57.03438	12.3
57.06808	1.0
57.07078	27.0
58.06609	3.1
59.05038	1.5
60.08206	1.9
61.02937	3.8
67.05507	14.6
69.03439	2.9
69.07073	7.8
69.81911	2.4
71.01397	1.5
71.05014	1.3
71.08632	20.9
73.02967	1.2
76.52111	0.8
79.05489	6.6
81.03412	3.9
81.07055	19.5
82.07471	0.9
83.05041	2.4
83.08619	14.7
85.02906	4.6
85.06588	1.0
85.10180	11.3
86.09761	2.3
89.06084	2.1
91.04003	1.6
91.05481	14.0
93.07041	12.3
95.04975	3.0
95.08609	18.0
97.02879	3.9
97.06582	2.1
97.10176	5.1
98.10578	0.7
99.00814	12.9
99.04480	0.9
99.09890	0.5
99.11752	0.8
103.05538	1.6
103.07626	1.4
105.07030	12.1
107.04942	5.0
107.08593	5.1
109.02873	8.9
109.06577	2.3
109.10156	10.0
109.10906	0.5
111.04446	3.4
111.08112	2.6
111.11770	1.0
115.03994	2.4
117.07069	2.2
119.04951	0.8
119.08561	7.1
121.06493	6.5
121.10228	1.5
123.04438	1.3
123.08132	1.5
123.11699	4.7
125.00067	1.8
125.09663	1.3
127.03941	2.6
128.06271	1.3
129.05516	0.6
129.07053	0.6
131.08624	1.2
133.06554	1.5
133.10130	26.1
134.10522	1.3
135.08115	1.8
135.11688	1.0
137.06013	1.1
137.09676	1.1
139.07555	2.7
139.36377	0.5
139.89717	0.4
143.08549	3.6
145.06516	0.5
145.10181	0.8
147.08054	1.3
151.11177	10.3
151.12271	0.5
161.09622	15.4
162.10002	0.9
163.11313	0.7
163.19255	0.5
165.09151	0.9
171.08035	3.2
179.10658	8.6
184.07361	7.2
185.07903	1.0
189.09097	7.5
197.11794	2.7
203.09222	0.6
207.10207	2.5
225.11224	10.5
228.21167	0.6
236.14909	7.6
239.23563	1.4
243.12375	1.8
257.24832	1.5
259.11850	1.0
281.13797	4.6
282.14374	0.6
299.14896	100.0
300.15192	6.5
311.26105	0.7
313.27356	86.7
314.27670	7.8
456.36441	0.7
474.38153	0.9
519.36511	0.6
537.37872	51.6
538.38080	6.8
562.37494	0.7
638.27399	1.2
734.59845	5.5
735.41974	2.5
735.58832	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38288	0.2
55.05506	0.7
56.05024	1.0
57.03432	0.6
57.07059	0.7
58.06596	2.8
59.07377	0.7
60.08165	6.7
67.05509	1.3
69.07057	0.7
69.18346	1.7
71.07375	3.5
71.08620	0.5
79.05502	0.8
81.03434	0.3
81.07051	1.3
83.08633	0.5
85.02928	0.6
85.10165	0.4
86.09708	31.5
87.04426	0.3
87.10030	0.6
91.05466	0.5
93.07030	0.7
94.60889	0.3
95.04947	0.5
95.08612	1.2
97.06542	0.3
97.10187	0.4
98.98466	3.9
101.19249	0.2
104.10762	2.1
105.07018	0.5
107.08591	0.4
109.10158	0.5
114.31536	0.2
117.06998	0.3
121.10155	0.3
121.17594	0.3
125.00005	19.9
127.04015	0.3
133.10123	0.6
135.11752	0.3
143.01060	0.6
144.10172	0.7
162.11340	0.3
162.33232	0.2
163.11122	0.2
164.51553	0.3
173.38475	0.2
184.07346	100.0
185.07669	1.7
236.14934	5.1
237.15344	0.4
299.14890	0.9
313.27274	1.1
456.37064	0.4
467.19150	0.4
474.37863	0.8
524.36780	0.3
537.37732	0.6
560.24011	1.0
630.48224	0.3
638.27240	1.6
663.74146	0.3
681.01709	0.3
701.90948	0.3
716.51099	0.3
734.49182	4.7
734.59271	3.4
735.42273	3.2
735.60809	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.5923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
55.01844	0.4
55.05515	1.4
57.03435	4.0
57.07074	4.3
58.06599	32.2
58.07014	1.0
59.07382	8.3
60.08162	8.5
61.07265	0.2
67.05504	4.1
68.98072	1.1
68.98504	1.2
69.07070	1.6
71.08622	2.3
72.87506	0.3
73.02911	0.6
75.04471	2.4
79.05496	2.0
81.06654	0.3
81.07045	3.2
83.08584	1.0
84.08105	0.8
85.02907	2.3
85.10146	1.1
86.09649	0.3
87.04461	3.5
91.05481	1.4
92.01598	0.3
93.05508	0.3
93.07031	2.5
95.04964	0.3
95.08606	3.0
96.17073	0.4
97.10142	0.4
100.11196	0.7
102.05525	0.7
103.03917	0.5
105.05516	0.5
105.07006	0.7
107.08547	0.8
108.99779	0.3
109.10104	0.9
111.08051	0.3
113.05970	0.9
114.77577	0.2
116.10612	0.3
117.06996	0.4
119.08557	0.3
121.10098	0.7
123.11726	0.3
130.08604	0.5
130.83791	0.2
131.06985	1.2
144.10191	12.3
147.11646	0.3
158.15340	0.4
162.11232	3.9
196.95422	0.3
200.12772	0.4
218.13864	0.9
236.14914	77.2
237.15289	2.6
313.27435	1.0
369.30023	0.5
412.38013	0.6
428.56375	0.3
434.36588	0.3
456.36823	5.6
457.37341	0.4
474.37900	18.7
475.38235	1.3
478.35199	3.6
496.36328	7.0
497.36942	0.6
571.53101	0.3
648.15002	0.3
734.59204	100.0
735.59595	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	734.5926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.5
55.01845	0.6
55.05478	1.5
57.03437	4.6
57.07076	4.5
58.06602	35.2
59.07384	10.6
60.08168	10.1
67.05508	4.4
69.07031	1.5
69.72610	0.3
71.04955	0.4
71.08306	0.3
71.08627	3.0
71.79449	0.3
73.02906	0.4
75.04485	2.6
79.05495	2.9
81.06667	0.4
81.07054	3.5
83.08579	1.1
84.08120	0.9
85.02904	2.6
85.10156	1.4
87.02831	0.4
87.04475	4.0
91.05450	1.6
93.07041	2.5
95.04986	0.5
95.08607	2.8
96.17119	0.4
97.10136	0.7
100.11213	0.8
102.05492	1.0
105.05499	0.8
105.07024	0.7
107.08544	1.1
109.10111	1.3
113.05969	1.5
119.08539	0.7
121.10128	1.1
123.11672	0.7
130.08595	0.5
131.06976	1.1
131.08543	0.6
133.10133	0.4
135.11736	0.5
144.10199	14.8
158.15263	0.5
159.06453	0.4
162.11249	6.0
187.58913	0.4
200.12784	0.6
218.13922	0.8
236.14929	100.0
237.15279	4.3
313.27399	1.3
324.61392	0.4
369.30032	0.7
412.37885	0.8
419.74066	0.4
434.36407	0.4
454.49414	0.4
456.36945	6.3
474.37885	19.1
475.38409	2.3
478.35193	2.8
479.35852	0.5
496.36240	6.8
497.36621	0.9
734.59241	97.7
735.59583	17.2
735.72748	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
55.05505	1.2
57.03430	1.4
58.06593	0.7
61.02918	2.7
67.05508	3.6
69.03423	1.6
69.07051	1.4
71.06967	0.6
71.07301	1.1
73.02910	2.5
79.05497	4.1
81.03410	1.8
81.07063	3.5
85.02905	2.5
91.03944	1.4
91.05471	2.5
93.07038	3.2
95.04986	1.2
95.08614	1.9
97.02891	3.1
101.02387	1.2
105.07040	1.4
107.08596	1.3
109.10129	1.4
119.08587	0.7
121.10153	1.6
127.03902	0.9
131.08534	0.6
133.10118	1.2
135.08096	0.7
135.11717	0.9
138.49864	0.6
143.08632	0.7
145.10141	1.2
163.11209	0.9
175.11095	0.7
184.07404	1.5
236.14999	1.4
243.08408	1.1
253.09836	0.6
267.16443	0.6
374.34897	0.6
383.70416	0.6
392.88678	0.5
420.33533	0.6
467.18845	1.3
491.26178	3.3
520.36530	0.6
689.38562	1.1
717.38068	5.4
718.37573	1.0
735.37872	100.0
736.37933	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	735.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
55.05511	5.3
56.05853	0.8
57.03439	2.7
57.07069	1.6
58.06594	3.9
59.07413	0.8
60.08165	2.1
63.34634	0.8
67.05493	6.5
68.34208	0.7
69.07064	5.1
69.89631	0.9
70.68768	0.7
71.05009	0.9
71.08630	1.5
79.05489	5.5
80.05824	1.2
81.03427	2.0
81.07056	7.2
83.04968	1.2
83.08600	4.1
84.08942	0.7
85.02900	1.9
86.09696	5.1
91.05497	3.3
93.07030	5.6
95.04983	1.7
95.08596	4.6
97.02894	1.3
97.06551	1.7
97.10184	1.7
98.98492	1.1
105.07047	1.5
107.04971	2.2
107.08620	2.8
109.06528	1.0
109.10159	1.6
111.04427	1.2
111.08080	1.2
117.07055	1.2
119.08595	1.9
121.10168	2.9
125.00054	2.8
127.03886	1.1
131.08536	1.4
133.10156	1.1
135.08078	1.0
135.11688	2.5
136.08383	1.0
144.10251	1.1
145.10153	1.5
149.13319	1.2
153.59486	0.7
163.11197	1.9
173.09523	0.8
184.07333	15.1
209.11752	2.6
227.12822	1.9
236.14920	9.8
237.15439	0.9
256.60486	0.9
283.15289	4.0
284.15936	2.1
300.15308	1.0
301.16205	2.5
302.16809	1.3
311.25800	5.8
312.26108	6.1
313.26788	1.6
509.25000	1.9
519.37006	1.3
520.37097	5.2
537.37268	1.4
538.38049	3.6
734.59436	3.0
735.37036	100.0
736.37384	16.0
736.48859	1.3
736.60577	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	735.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31004	0.9
55.01876	1.6
55.05513	5.6
57.02117	0.9
57.03434	4.0
57.07080	2.9
58.06604	3.6
60.08171	1.6
61.02921	1.2
61.34467	1.0
66.83571	0.9
67.05513	8.9
68.05845	1.7
69.01925	3.4
69.02343	6.8
69.07075	6.4
71.08633	1.3
73.02927	1.5
78.27459	1.0
79.05511	5.0
81.03434	4.0
81.07054	8.1
82.07426	1.1
83.04978	2.8
83.08624	5.8
84.08959	1.4
85.02882	1.8
86.09710	8.0
86.22190	1.1
91.05503	6.4
92.05817	1.0
93.07052	6.9
95.04960	2.8
95.08603	6.5
97.02921	1.2
97.06560	1.5
97.10175	2.8
105.07062	3.5
107.04976	2.0
107.08609	2.8
109.10202	3.1
111.04410	1.5
117.07004	1.2
121.06540	1.4
121.10153	4.6
122.10566	1.3
125.00012	5.0
125.88694	1.0
131.08586	2.0
133.10147	2.2
135.11719	2.9
144.10271	1.3
145.10141	3.0
163.11220	4.0
184.07352	21.2
184.08936	1.6
209.11775	3.0
236.14915	11.5
237.15402	1.1
244.13405	1.1
278.49884	1.0
283.15421	5.9
284.15817	2.3
299.15048	2.0
300.15234	1.9
301.16425	3.9
302.16934	1.5
311.25815	7.1
312.26114	6.7
313.26846	1.1
316.71439	1.1
318.21051	1.0
377.26334	1.0
474.38062	1.3
509.24890	1.8
519.37128	2.5
520.37274	6.3
537.37500	3.1
538.37689	5.0
560.23993	1.3
615.61859	1.4
620.26544	2.8
638.27319	3.7
734.59229	2.2
735.37067	100.0
735.48413	3.7
736.37671	15.3
736.49457	2.2
736.60614	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.2
55.01878	0.6
55.05506	1.4
57.03434	2.5
61.02927	7.4
65.03923	0.4
67.05509	6.0
68.22762	0.3
69.03428	3.1
69.07066	1.3
69.41850	0.3
69.42197	2.1
71.01362	0.5
71.04994	0.8
73.02921	4.3
79.05499	5.7
79.05922	0.6
81.03408	2.4
81.07054	4.8
83.04983	1.1
83.08624	0.7
85.02911	5.7
85.03379	0.6
87.04458	0.4
91.03951	4.4
91.05479	3.2
93.07043	5.7
95.04984	1.2
95.08600	3.3
97.02892	5.8
97.06534	0.5
98.22694	0.7
99.04481	1.4
101.02405	1.7
103.03915	0.4
105.06989	1.9
106.67664	0.4
107.04946	0.8
107.08585	2.5
109.02915	1.4
109.06503	0.5
109.10187	1.1
111.04451	0.8
117.07007	0.9
119.08597	1.6
121.06516	0.5
121.10145	2.9
123.04457	0.3
127.03907	2.1
131.08595	1.6
133.10147	1.0
135.11720	1.7
143.08551	0.3
145.10147	1.5
147.11732	0.6
149.13200	0.5
159.11754	0.4
163.11174	1.1
173.09659	0.3
173.13377	0.4
185.04231	0.8
209.11737	0.5
224.93556	0.3
236.14908	1.0
243.08409	2.0
249.11050	1.6
267.12149	1.1
305.13696	0.4
307.22772	1.1
348.08313	0.3
467.18863	3.1
469.27802	0.4
485.19955	1.1
491.26144	11.3
492.26611	1.2
568.24774	0.3
677.36877	0.7
717.38159	20.5
718.38422	2.4
735.39154	100.0
736.39441	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	735.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.7
55.01868	1.1
55.05515	1.6
57.03432	1.8
57.07097	0.5
58.06592	1.0
59.07378	0.3
60.08164	0.6
61.02928	4.4
62.65824	0.3
64.71893	0.3
65.03946	0.3
67.05505	4.9
69.03429	2.8
69.07063	1.1
69.08411	2.2
71.01347	0.7
71.04992	1.1
71.08624	0.3
73.02916	3.5
79.05495	5.1
81.03413	2.5
81.07051	4.8
83.01353	0.6
83.04975	1.3
83.08623	0.9
85.02905	4.1
85.06557	0.5
87.04498	0.4
91.03967	2.7
91.05480	3.7
93.07044	6.0
95.04433	0.3
95.04996	1.2
95.08595	2.6
96.09692	0.3
97.02895	4.0
97.06550	0.8
97.10178	0.3
99.04472	1.1
99.08051	0.3
101.02363	1.6
105.07037	2.1
107.04958	0.9
107.08602	3.2
109.02879	0.6
109.06530	0.8
109.10161	1.0
111.04440	0.4
111.08105	0.5
117.06984	1.5
119.08578	1.7
121.06516	0.7
121.10139	2.5
123.08080	0.7
123.11757	0.4
125.58865	0.3
127.03916	1.6
129.06973	0.3
131.08572	1.8
133.10172	1.1
135.08080	0.4
135.11702	2.7
143.08542	0.4
145.10085	1.7
147.11737	0.4
149.09619	0.4
149.13295	0.7
151.11220	0.4
159.11690	0.7
161.09584	0.3
163.11192	1.7
173.09630	0.4
173.13315	0.4
185.04271	0.6
189.16455	0.3
209.11659	0.4
227.12842	0.4
236.14969	1.8
237.15175	0.4
243.08411	2.2
283.15479	0.4
291.19458	0.8
292.27765	0.3
347.22037	0.4
435.23691	0.3
467.18893	5.6
467.25507	0.3
468.19336	0.5
491.26474	0.6
509.27194	7.1
509.34421	0.6
510.27576	0.6
539.64941	0.3
566.25317	0.6
567.26288	0.7
573.34534	0.4
717.43323	0.9
718.44476	0.3
735.39099	100.0
736.39362	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	736.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01874	3.3
55.05507	6.5
57.03436	9.6
58.06601	49.2
59.07383	14.5
60.08165	11.3
61.02910	1.9
67.05503	11.7
69.03440	2.4
69.07067	3.4
71.05004	1.9
71.29211	1.5
73.02913	1.7
75.04487	3.1
79.05484	10.4
81.03421	5.1
81.07065	11.2
83.01441	1.1
83.04988	4.2
83.08620	3.7
84.08168	4.1
85.02908	5.5
86.09701	1.9
87.04461	5.5
91.05486	9.6
93.07021	10.3
95.04985	3.5
95.08599	4.9
97.02914	1.4
97.06549	4.1
97.10188	1.2
100.11245	1.2
105.07018	6.2
107.04984	3.3
107.08588	4.8
109.02885	1.3
109.06536	2.0
109.10173	3.4
111.04429	1.4
113.06018	1.8
117.07026	3.8
119.08581	4.8
121.06538	1.4
121.10156	4.1
123.08050	2.4
125.09600	1.2
129.07021	1.6
129.16998	1.1
131.07082	1.9
131.08574	3.7
133.06601	1.1
133.10159	2.7
135.08028	1.7
135.11697	2.1
143.08652	1.6
144.10193	18.0
145.10164	4.8
149.09605	1.4
154.70808	1.0
157.10202	2.6
162.11284	6.2
163.11203	3.4
184.07384	1.8
209.94685	1.0
218.13873	1.7
227.12813	1.4
236.14920	100.0
237.15298	4.2
275.20013	2.9
283.15469	4.1
290.16006	1.4
349.23682	1.7
360.85193	1.1
412.26749	1.4
426.24710	5.3
430.28073	1.8
444.25934	15.2
445.26062	1.5
492.33258	3.7
510.34363	5.8
600.43115	1.1
624.37573	2.4
638.38934	17.2
639.39307	2.8
651.30048	1.8
678.41486	2.0
700.44244	14.0
701.44666	3.1
718.45251	48.5
719.45685	10.6
736.35577	4.5
736.45587	21.3
737.38232	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	736.4757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.2
55.01856	0.2
55.05513	0.9
56.05029	0.8
57.03439	0.6
57.07070	1.4
58.06587	1.7
59.07381	0.4
60.08165	6.9
67.05497	1.4
69.07070	0.6
71.05009	0.2
71.07379	3.5
71.08648	1.0
79.05492	1.0
81.03417	0.5
81.07049	1.4
83.04986	0.6
83.08623	0.5
85.02915	0.4
85.10188	0.5
86.09707	30.1
87.04473	0.3
87.10040	0.6
91.05486	0.7
93.07037	1.2
95.04949	0.2
95.08614	1.3
97.02869	0.4
97.06509	0.2
97.10162	0.3
98.22654	0.5
98.98471	3.5
98.99112	0.2
104.10753	2.6
105.07037	0.4
107.04958	0.3
107.08627	0.5
109.10158	0.4
117.07040	0.4
119.08607	0.4
121.06453	0.2
121.10154	0.5
125.00004	21.2
131.08556	0.4
135.08096	0.3
135.11693	0.5
143.01074	0.2
144.10204	0.7
145.10091	0.3
162.11211	0.2
163.11166	0.7
184.07344	100.0
185.07683	1.7
191.10646	0.4
209.11720	0.8
219.13802	0.2
221.36935	0.2
227.12791	0.4
236.14951	4.0
237.15459	0.3
255.15942	0.3
283.15445	1.7
284.15717	0.2
301.16501	1.1
313.27374	2.4
474.37698	0.7
496.33887	0.3
521.38354	1.3
522.38416	0.2
539.39520	0.9
649.42438	0.3
704.44232	0.3
736.46741	5.6
736.60229	3.8
737.36926	1.4
737.48181	0.6
737.61041	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.4838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.01867	6.7
55.05518	14.6
57.03437	15.5
57.06800	1.8
57.07081	36.0
58.06605	13.9
59.04991	1.9
59.07382	3.3
60.08157	5.4
61.02954	3.1
64.82069	1.3
65.03939	1.7
67.05510	26.5
69.03426	2.4
69.07078	10.1
71.01339	3.5
71.04989	3.0
71.08635	26.1
73.02911	1.9
79.05061	2.2
79.05493	21.1
81.03421	13.6
81.07057	26.9
82.07367	1.4
83.01337	3.1
83.04994	13.3
83.08624	12.4
85.02895	8.6
85.06546	2.1
85.10195	13.5
86.09704	12.1
87.04461	2.8
89.06016	1.6
91.03942	1.8
91.05488	14.2
93.07051	21.2
95.04958	5.9
95.08610	26.3
97.02884	8.9
97.06530	5.3
97.10165	5.3
99.00814	1.5
99.04454	1.4
105.07027	8.3
107.04969	10.7
107.08607	16.2
109.02885	1.4
109.06550	1.8
109.10182	11.2
111.04459	7.2
111.08098	3.7
113.06027	2.2
117.07008	5.4
119.08588	9.1
121.06519	3.4
121.10177	9.8
123.08075	4.5
123.11711	2.7
125.00019	6.0
125.05974	1.7
125.09621	2.0
129.07040	1.4
131.08565	3.5
133.10130	4.6
135.08070	1.9
135.11697	11.8
137.09615	1.8
144.10167	4.5
145.06514	1.4
145.10141	11.1
147.08057	2.6
149.09659	2.6
151.11134	1.9
153.12738	7.3
154.32686	1.4
155.08556	1.7
156.14119	1.3
161.09631	1.4
162.11320	1.7
163.11185	15.1
167.10709	1.8
173.09668	5.1
179.69333	1.3
181.12250	4.9
184.07321	29.4
191.10747	7.6
209.11755	22.3
225.11264	1.7
227.12820	16.4
236.12646	2.8
236.14926	33.1
239.23717	3.3
255.16060	2.3
257.25024	1.4
265.14264	10.0
281.13867	2.0
283.15408	61.8
284.15652	3.3
291.09988	1.6
299.15002	7.5
300.15237	5.9
301.16458	47.2
302.16785	3.3
313.27368	100.0
314.27762	14.1
315.27896	2.8
382.87039	1.5
456.36838	2.0
474.37857	5.8
498.12952	1.5
498.37814	1.8
503.37314	4.9
521.38403	66.8
522.38800	9.6
537.37744	2.4
538.38361	3.0
539.39319	53.9
540.39832	6.8
639.27448	1.9
649.42242	8.5
650.42542	1.4
736.47705	5.9
736.60706	40.8
737.34540	8.5
737.61078	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	736.608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
55.05487	1.3
56.49782	0.4
57.03439	3.9
57.07079	3.7
58.06600	28.0
59.06914	0.5
59.07381	8.6
60.08163	7.8
67.05508	3.7
69.05573	2.6
69.05995	1.0
69.07027	1.4
71.08622	2.1
75.04480	2.0
79.05442	1.5
81.06664	0.4
81.07051	3.5
83.08587	1.0
85.02862	1.7
85.10165	1.0
87.04466	2.7
91.05458	0.7
93.07005	1.0
95.08614	3.4
96.26678	0.5
97.06470	0.5
102.05515	0.4
105.05479	0.4
107.08550	0.5
109.10115	1.3
113.05975	0.9
115.27626	0.3
123.11652	0.6
130.08649	0.6
131.07016	0.8
144.10201	11.3
162.11261	3.8
200.12744	0.7
208.08768	0.4
218.13812	0.7
236.14917	70.5
237.15276	3.7
313.27548	1.2
321.39667	0.5
378.67569	0.5
436.37784	0.7
456.36786	5.2
457.36719	0.7
467.49969	0.4
474.37888	17.1
474.44662	0.9
475.38223	1.7
478.83066	0.4
480.36737	2.6
498.37888	6.3
625.43958	0.5
703.83820	0.5
736.60791	100.0
737.61108	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	737.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.0
55.05530	1.3
55.21040	0.7
57.03411	1.0
57.07073	2.2
58.06593	0.8
60.08155	2.1
67.05495	2.7
69.07068	1.5
70.61108	1.5
71.07374	1.5
71.08626	1.7
79.05486	1.4
79.85786	0.6
81.07064	2.1
83.04997	0.9
83.08617	1.1
85.10216	0.7
86.09702	6.2
87.10016	1.1
91.05479	1.9
93.07057	1.6
95.08617	2.0
98.98461	1.3
104.63292	0.7
105.07034	1.2
107.04926	1.0
107.08611	1.1
109.06488	0.8
111.04420	0.8
118.35702	0.8
119.08651	1.0
125.00019	5.3
145.10149	0.8
163.11230	1.0
174.09938	0.8
184.07339	19.3
184.08926	1.0
185.07701	2.5
236.14983	2.7
283.15402	1.6
284.15640	1.2
285.38007	0.7
301.16412	1.4
313.27386	2.0
314.27869	2.2
445.42520	0.7
476.22415	1.2
487.60068	0.8
522.38611	1.3
540.39685	1.7
549.25024	2.1
737.38568	100.0
738.38812	17.8
738.50403	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.9
53.76231	1.1
55.01871	12.2
55.05512	24.1
57.03437	18.0
57.07067	1.4
59.05001	4.3
61.02925	3.0
63.61464	1.2
65.03933	1.6
67.05504	42.5
69.03423	8.0
69.07069	13.2
69.57246	3.8
70.06967	1.1
71.01347	3.0
71.04998	9.4
71.31821	1.0
73.02915	2.4
77.03918	1.1
79.05493	43.3
80.05838	1.5
81.03413	26.8
81.07057	38.4
83.01343	9.3
83.04982	22.2
83.08617	16.4
85.02911	9.2
85.06535	4.8
91.03955	1.4
91.05482	33.3
93.07042	48.7
95.04963	15.2
95.08601	18.3
97.02882	14.5
97.06542	11.2
97.10162	4.2
98.23354	2.3
99.04456	4.8
105.07034	15.0
107.04955	18.1
107.08588	27.7
109.02872	4.2
109.06523	8.4
109.10150	15.8
111.04446	22.9
111.08079	4.5
113.06001	1.6
117.07030	15.0
119.08577	18.0
121.06503	6.5
121.10147	24.3
123.04471	3.2
123.08073	12.5
123.11739	1.7
125.06020	3.7
125.09659	4.4
127.03933	3.8
128.06236	2.0
129.05508	1.7
129.07022	5.2
130.07780	2.5
131.04936	1.6
131.08571	13.4
133.10100	8.1
135.08066	4.6
135.11682	19.2
137.09627	4.6
139.11188	5.0
143.08585	2.1
145.06487	3.7
145.10126	24.7
147.08038	6.7
147.11667	1.3
149.09616	8.4
151.11203	1.9
153.12747	6.1
155.08563	4.2
161.09622	2.1
163.11172	36.9
164.11697	1.3
167.10683	2.5
173.04437	6.3
173.09642	11.4
173.11798	3.4
181.12230	10.7
189.09058	1.5
189.11272	1.9
191.10680	13.4
193.12318	1.2
194.22704	1.2
209.11717	62.7
210.12073	3.2
211.13373	2.6
223.13327	4.2
227.12766	25.4
228.13400	1.6
229.14313	1.8
241.14313	12.4
247.13234	1.8
255.15979	3.1
265.14413	3.8
267.15994	3.1
283.15390	100.0
284.15726	5.0
285.16925	1.8
299.14877	2.6
301.16434	29.0
302.16721	1.8
311.14963	1.2
315.17957	8.1
333.19083	2.4
348.97229	1.3
371.17227	1.3
381.20511	1.5
385.18674	1.4
403.83316	1.1
427.19119	2.1
431.23828	1.2
435.24115	1.5
437.25214	11.8
449.25375	10.2
450.25919	1.5
451.27264	1.6
463.26822	3.5
473.25534	6.7
481.27783	3.9
491.26379	48.1
492.26761	5.4
509.27444	43.6
510.27612	4.8
523.29071	14.7
527.28290	1.3
541.29913	4.0
635.30511	2.5
653.31256	1.5
738.29169	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	738.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	2.0
53.03951	7.5
55.01865	10.9
55.05513	26.7
57.03441	21.4
57.07082	1.8
59.05001	3.7
61.02923	4.8
65.03941	3.0
67.05508	44.6
69.03422	7.2
69.07079	11.6
71.01360	4.6
71.04990	11.7
73.02899	2.6
77.51969	1.6
79.05495	48.7
80.05788	1.5
81.03416	57.3
81.07053	45.3
82.03767	1.9
83.01335	8.3
83.04986	23.4
83.08624	29.4
85.02904	11.9
85.06542	5.1
87.04474	2.0
91.03951	2.1
91.05483	46.2
93.07044	53.0
94.07346	1.9
95.04963	25.8
95.08612	18.4
97.02883	16.5
97.06528	15.0
97.10173	7.3
99.00832	8.8
99.04459	5.8
103.05445	1.8
105.07026	24.9
105.07685	2.4
107.04950	23.5
107.08587	28.8
109.02895	7.3
109.06525	12.5
109.10152	11.6
111.04457	19.2
111.08089	8.4
115.05484	2.0
117.07024	13.3
119.08588	25.6
121.06522	12.1
121.10153	25.6
123.04403	4.0
123.08073	10.3
123.11712	2.5
125.06016	4.9
125.09636	5.9
127.03949	4.8
129.05513	2.0
129.07016	6.9
130.07828	2.4
131.05000	2.7
131.08560	15.0
133.06459	3.7
133.10129	23.3
133.11064	2.1
135.08063	6.7
135.11676	21.6
137.06012	2.6
137.09549	3.3
139.07501	1.7
139.11165	3.7
142.07849	2.4
143.08559	4.1
145.06487	3.8
145.10114	28.0
147.08061	7.0
147.11678	4.4
149.09630	8.2
151.11182	7.9
153.09109	2.1
153.12773	6.9
155.08556	3.7
157.10133	3.7
161.09625	11.1
163.07559	1.5
163.11185	40.5
164.11623	2.1
165.12700	2.3
167.10759	2.2
169.04655	1.4
171.08058	2.0
173.04550	2.6
173.09586	7.4
173.11821	1.6
175.11200	4.0
176.11597	1.4
179.10648	6.8
181.12271	7.5
189.09138	8.4
189.11163	2.7
191.10649	10.9
193.12207	8.9
197.11792	2.2
207.10329	1.4
209.11725	49.2
210.11986	2.5
211.13367	1.8
219.13884	5.5
223.13298	5.2
225.11290	5.0
227.12750	22.5
228.13200	1.8
241.14360	10.2
256.02985	1.6
265.14401	5.2
267.15906	42.6
268.16461	1.6
273.17270	1.6
281.13815	2.9
283.15402	93.6
284.15744	8.2
299.14893	38.9
300.15164	4.7
301.16498	25.5
302.16663	2.1
315.18094	7.7
353.15930	2.1
399.21808	2.4
417.22574	2.4
427.19351	2.2
437.25369	7.3
445.26035	5.3
449.25314	9.4
463.26788	4.2
467.26413	2.4
473.25348	24.5
474.25873	4.2
491.26407	100.0
492.26828	11.1
509.27408	36.8
510.27829	5.4
523.29163	23.0
524.29065	2.3
527.28339	2.7
541.29773	1.8
544.58142	1.6
635.30536	2.5
653.31152	4.4
738.28882	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	738.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.9
54.99442	2.2
55.01865	4.7
55.05515	16.1
57.03443	13.8
57.07081	5.3
58.06601	20.2
59.07391	5.3
60.08172	4.5
65.03954	2.7
67.05508	55.1
69.07067	15.2
69.30287	2.0
71.05002	2.1
71.08626	3.0
75.49003	1.8
79.05496	58.0
80.05777	2.3
81.03429	6.5
81.07059	46.6
83.04991	9.0
83.08635	9.0
85.02902	5.5
86.09720	4.8
87.04468	3.6
91.05486	37.8
93.07044	55.4
95.04967	12.7
95.08610	32.9
97.06544	5.4
97.10194	2.3
103.05482	3.1
105.04480	2.5
105.07024	31.2
107.04996	2.4
107.08598	17.6
109.06549	3.8
109.10179	11.3
113.06020	8.2
117.07023	7.9
119.08594	17.2
121.06565	3.1
121.10138	10.0
123.08118	2.8
123.11726	2.7
129.07005	7.6
131.08597	5.0
133.10109	10.2
135.11725	5.2
143.08574	6.4
144.10240	7.8
145.10155	9.5
147.11699	15.8
149.09677	2.1
155.08644	2.6
159.11726	4.2
161.09731	2.6
161.13292	5.4
171.11621	10.4
184.07393	4.8
189.12640	2.0
207.13773	12.6
236.14932	44.5
237.15427	3.0
261.22147	5.9
281.17407	25.0
283.15137	11.0
313.27460	5.3
317.25079	2.6
335.25806	47.2
336.26126	3.8
395.20374	8.5
456.36908	3.1
474.37714	2.7
498.37817	3.5
541.38904	100.0
542.39471	12.7
603.41779	2.2
651.34424	3.5
651.44403	58.4
652.44525	4.6
706.49207	2.4
737.60931	5.9
738.36334	9.0
738.50842	54.7
738.62250	7.5
739.50879	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	738.551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
55.05515	1.7
57.03199	0.4
57.03437	4.2
57.07075	3.6
58.06600	29.5
59.06918	0.4
59.07381	9.0
60.08165	8.7
67.05502	2.0
69.07068	1.7
71.08630	2.2
72.15047	0.3
73.02908	0.4
75.04475	2.6
79.05492	2.1
81.03403	0.4
81.07057	3.8
83.04968	0.5
83.08607	1.5
84.08138	0.6
84.69064	0.3
85.02914	2.5
85.10149	0.8
85.98927	0.4
87.04475	3.8
91.05446	0.7
93.05504	0.5
93.07047	1.8
95.04947	0.4
95.08591	1.6
97.10165	0.8
99.05409	0.3
100.11228	0.7
102.05553	0.6
103.03912	0.5
103.64110	0.4
105.05470	0.5
105.07007	0.7
107.08616	0.7
109.10155	0.9
113.05980	0.9
117.07024	0.7
118.27300	0.4
119.08608	0.4
121.10124	0.8
123.11692	0.7
131.07065	1.9
135.11685	0.9
136.42693	0.3
144.10194	12.2
144.11346	0.7
145.10197	0.8
162.11259	4.2
163.11223	1.0
200.12820	0.6
218.13850	1.0
236.14920	100.0
237.15285	4.0
334.67047	0.3
369.33603	0.4
426.24850	4.5
444.19830	0.5
444.25925	9.4
445.26663	0.6
456.36972	0.6
468.44101	0.8
474.37866	1.5
512.42999	2.3
530.44171	8.4
531.44470	0.9
720.53595	1.3
720.65546	0.4
725.63599	0.4
738.54742	79.3
739.55048	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	739.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	1.5
56.05861	1.0
58.06606	4.0
59.05969	1.2
67.05510	3.4
69.07067	2.1
79.05500	1.6
81.07085	2.5
83.69852	1.3
91.05485	2.0
93.07037	3.5
95.04991	1.3
95.08620	3.0
96.09948	1.1
144.10309	1.5
161.77670	1.0
185.02855	1.2
233.42065	1.2
236.14948	6.8
256.50342	1.2
260.73999	1.1
283.15561	1.4
305.64691	1.3
316.20251	1.1
335.25800	1.7
614.64545	1.2
739.40271	100.0
740.40631	16.0
740.52820	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.8
58.06603	5.0
60.08150	1.6
67.05533	3.8
69.06688	12.0
69.07039	2.7
73.64796	1.6
74.47327	1.7
79.05500	3.5
81.07067	5.2
91.05501	5.2
93.07066	4.3
95.08628	2.5
98.22644	3.8
102.69422	1.6
105.07067	2.3
135.11679	1.6
135.93083	1.6
144.10234	3.3
180.41518	1.6
221.32475	1.7
236.14929	12.5
258.57928	1.8
315.62369	1.7
419.03348	1.7
513.28162	2.4
551.39966	2.2
690.49048	1.8
739.40192	100.0
740.40472	22.2
740.53101	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	740.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.7
55.01875	7.2
55.05515	24.4
57.03435	9.1
58.06610	4.8
59.75378	2.2
67.05509	41.2
69.03435	10.8
69.07076	24.2
71.04979	2.6
71.28939	3.9
79.05502	41.8
81.03416	18.2
81.07061	37.8
83.04991	19.2
83.08623	8.3
86.09700	3.5
91.05485	94.4
93.07057	24.9
95.05006	13.1
95.08630	12.7
97.02917	13.1
97.06557	7.2
97.10181	11.5
98.86269	2.3
105.07035	40.9
106.07365	3.5
107.04961	23.6
107.08604	17.2
109.06554	6.3
109.10168	10.9
111.04493	2.9
111.08092	3.4
117.07043	13.9
119.08582	25.2
121.06501	4.1
121.10175	8.3
123.08104	7.0
125.09646	9.3
125.43936	2.4
128.06175	3.3
131.08554	18.3
133.06476	7.2
133.10133	33.7
135.08061	6.0
137.09685	2.3
143.08592	10.6
144.10252	3.9
145.10138	11.6
147.08102	5.1
147.11743	2.9
149.09668	9.4
151.11237	3.3
157.10101	4.4
159.11778	4.6
160.90176	2.7
161.09642	10.9
171.11667	3.1
175.11163	4.1
179.10703	10.4
184.07411	7.7
187.11147	2.4
189.11241	3.6
192.78665	2.9
223.13312	13.5
227.12752	4.4
236.14948	10.0
247.92574	2.5
249.14880	4.0
253.14366	58.1
254.14589	4.6
269.13956	4.9
273.18475	17.7
275.20001	3.7
286.55151	3.0
291.19540	99.1
292.19901	7.0
347.22397	3.7
365.23236	36.7
366.23621	2.9
415.18533	3.0
423.24136	3.6
428.26138	3.4
445.25681	3.5
543.33136	100.0
544.33313	9.8
706.48175	4.1
755.79718	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	740.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.7
55.01875	7.2
55.05515	24.4
57.03435	9.1
58.06610	4.8
59.75378	2.2
67.05509	41.2
69.03435	10.8
69.07076	24.2
71.04979	2.6
71.28939	3.9
79.05502	41.8
81.03416	18.2
81.07061	37.8
83.04991	19.2
83.08623	8.3
86.09700	3.5
91.05485	94.4
93.07057	24.9
95.05006	13.1
95.08630	12.7
97.02917	13.1
97.06557	7.2
97.10181	11.5
98.86269	2.3
105.07035	40.9
106.07365	3.5
107.04961	23.6
107.08604	17.2
109.06554	6.3
109.10168	10.9
111.04493	2.9
111.08092	3.4
117.07043	13.9
119.08582	25.2
121.06501	4.1
121.10175	8.3
123.08104	7.0
125.09646	9.3
125.43936	2.4
128.06175	3.3
131.08554	18.3
133.06476	7.2
133.10133	33.7
135.08061	6.0
137.09685	2.3
143.08592	10.6
144.10252	3.9
145.10138	11.6
147.08102	5.1
147.11743	2.9
149.09668	9.4
151.11237	3.3
157.10101	4.4
159.11778	4.6
160.90176	2.7
161.09642	10.9
171.11667	3.1
175.11163	4.1
179.10703	10.4
184.07411	7.7
187.11147	2.4
189.11241	3.6
192.78665	2.9
223.13312	13.5
227.12752	4.4
236.14948	10.0
247.92574	2.5
249.14880	4.0
253.14366	58.1
254.14589	4.6
269.13956	4.9
273.18475	17.7
275.20001	3.7
286.55151	3.0
291.19540	99.1
292.19901	7.0
347.22397	3.7
365.23236	36.7
366.23621	2.9
415.18533	3.0
423.24136	3.6
428.26138	3.4
445.25681	3.5
543.33136	100.0
544.33313	9.8
706.48175	4.1
755.79718	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	740.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.9
55.01870	7.1
55.05513	22.3
57.03440	13.3
57.07067	2.5
59.04998	2.8
59.06207	0.8
61.02929	4.7
65.03945	2.5
67.05505	44.3
69.03432	2.7
69.07069	12.4
69.56207	4.8
71.01359	1.2
71.04996	3.2
73.02912	1.4
75.04481	0.8
79.05496	41.6
80.05842	0.8
81.03418	8.3
81.07059	45.1
83.01350	7.3
83.04974	11.4
83.08620	12.2
85.02898	8.1
85.06539	2.1
86.86384	0.8
91.03979	1.5
91.05482	25.6
92.05836	1.0
93.07045	47.3
94.07397	1.6
95.04964	6.5
95.08607	31.0
97.02892	4.4
97.06551	4.2
97.10172	3.7
99.04453	2.4
99.08071	1.2
103.05496	1.2
105.04563	1.1
105.07033	17.3
107.04971	5.4
107.08597	24.3
109.02858	0.8
109.06527	5.5
109.10159	12.0
111.04422	1.4
111.08080	2.0
111.40724	0.9
117.06992	9.7
119.08579	13.7
121.06541	2.4
121.10151	20.0
123.08068	4.9
123.11710	3.1
125.09632	3.1
129.07011	2.3
131.08577	10.0
133.10135	8.5
134.10431	0.9
134.50755	0.9
135.08063	1.8
135.11700	15.2
137.09625	1.3
137.13268	1.2
143.08585	1.4
145.10124	14.9
147.08058	1.3
147.11670	5.6
149.13278	6.1
150.63730	0.9
153.12727	2.4
155.08551	1.5
157.10103	1.1
159.11682	4.8
161.13289	3.8
163.11185	19.9
163.14828	2.3
171.11714	1.2
173.09663	2.4
173.13269	4.1
175.14850	1.9
181.12230	4.4
185.13295	1.0
187.14865	2.7
189.11266	2.2
191.10715	3.0
193.12166	1.0
199.14722	1.1
201.16432	1.6
209.11745	7.8
227.12767	8.5
243.21062	5.7
259.20673	1.4
261.22113	18.6
262.22437	2.3
283.15399	94.4
284.15784	5.4
299.23642	4.3
317.24771	4.6
333.24625	1.2
335.25809	100.0
336.26129	6.8
433.30771	1.7
451.32092	2.9
469.32483	1.8
487.33994	1.5
525.35614	4.5
543.36780	64.9
544.37018	10.7
561.37823	1.2
653.41174	1.1
720.45728	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.2
55.01867	6.6
55.05275	1.6
55.05514	23.4
57.03434	19.4
57.07086	2.2
59.04993	3.2
59.47047	1.0
61.02934	5.3
65.03935	2.8
67.05507	48.5
69.03418	2.2
69.07070	10.9
71.04982	4.3
74.52638	0.9
79.05494	42.4
81.03413	10.6
81.07058	53.0
83.01330	8.0
83.04984	13.0
83.08615	15.1
85.02902	7.5
85.06531	1.8
91.03972	1.6
91.05479	27.4
93.07044	47.0
94.07392	1.3
95.04965	9.1
95.08603	35.3
97.02898	5.3
97.06518	6.4
97.10178	5.7
99.04443	1.8
99.08043	0.9
99.66268	1.0
103.05467	1.2
105.04534	1.0
105.07037	16.8
107.04969	6.6
107.08588	26.3
109.06528	6.0
109.10159	13.4
111.04438	2.2
111.08078	3.6
112.76395	0.9
117.07015	10.1
119.08575	15.4
121.06506	2.8
121.10134	19.5
123.08065	7.3
123.11702	4.4
125.09657	3.3
129.05496	1.5
129.06979	2.6
130.07813	1.5
131.08556	10.8
133.10112	8.6
135.08058	3.1
135.11694	19.0
137.09624	1.2
137.13240	1.7
139.11174	1.1
141.07002	1.0
143.08537	2.1
145.10114	18.8
147.08031	2.3
147.11694	4.1
149.09627	1.8
149.13254	4.2
153.12759	2.2
159.11638	5.3
161.13246	3.0
163.11179	23.8
163.12512	1.9
163.14821	3.4
164.11380	1.0
171.11716	1.3
173.09654	3.2
173.11900	1.3
173.13290	3.4
175.14813	1.3
181.12268	2.1
184.07314	4.0
184.87169	1.2
185.07712	1.2
187.14809	2.3
189.11221	2.0
191.10712	3.5
193.12259	1.1
209.11674	6.4
209.13377	1.0
211.13289	1.7
227.12785	10.5
243.21092	5.0
259.20465	1.6
261.22131	14.7
267.15945	1.4
283.15396	100.0
284.15717	5.0
299.23611	4.6
301.76181	1.0
317.24692	3.5
333.24176	2.2
335.25803	76.7
336.26089	6.3
375.83701	1.1
451.31775	2.4
469.32806	1.8
488.34915	1.0
525.35498	4.2
543.36786	40.2
544.37323	5.7
561.37280	2.2
590.72931	1.3
673.33960	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.4
57.03440	0.9
61.02927	0.5
67.05500	1.8
69.03429	0.7
71.04962	0.6
71.28744	0.6
79.05486	1.5
81.03422	0.9
81.07050	1.6
83.08611	0.6
85.02885	1.1
91.05470	1.6
93.07036	1.7
95.04971	0.8
95.08579	0.8
97.02882	0.9
97.06514	0.9
105.07014	0.6
107.04933	0.9
107.08615	0.8
109.06549	0.5
109.10152	1.3
111.04459	0.5
117.07014	0.6
119.08574	0.7
119.58553	0.4
121.10171	0.5
133.10063	0.4
136.12125	0.5
163.11226	0.6
167.57925	0.5
197.88194	0.5
218.98151	0.5
260.14160	0.5
483.16043	0.7
515.18628	0.7
695.63184	0.6
713.84247	0.5
741.30640	100.0
742.31061	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	742.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.7
55.01634	1.6
55.01875	16.5
55.05511	21.9
57.03440	16.1
57.07072	0.9
59.04995	2.6
61.02921	3.1
65.03941	3.4
67.05504	46.3
69.03432	7.9
69.07068	48.8
70.07394	1.2
71.05007	5.8
73.02920	1.5
73.06548	1.2
77.03867	1.2
79.05492	70.7
80.05816	2.1
81.03421	14.8
81.07057	55.9
82.07384	1.0
83.01341	7.1
83.04979	14.4
83.08618	12.1
85.02903	7.0
85.06577	1.2
86.09719	2.1
87.00797	1.4
91.05479	64.1
92.05799	1.8
93.07042	64.6
94.07335	1.4
95.04971	16.8
95.08604	36.9
97.02891	12.9
97.06540	13.5
97.10174	2.7
99.04447	3.2
99.08098	2.1
103.01388	0.9
103.05479	2.0
103.77956	0.9
105.04514	1.9
105.07027	31.8
107.04279	1.6
107.04955	21.8
107.08595	29.3
108.08938	1.2
108.14022	0.9
109.02849	2.4
109.06513	11.0
109.10158	9.4
111.04427	3.3
111.08070	4.1
115.05440	3.7
116.06210	1.1
117.07021	23.1
119.04929	1.1
119.08579	48.1
120.08925	1.2
121.06519	7.9
121.10140	53.1
122.10469	2.8
123.04458	2.1
123.08080	22.5
123.11704	1.0
125.00002	1.4
125.05995	3.9
125.09628	4.6
127.03902	2.0
128.06215	3.2
129.07007	14.7
130.07776	2.0
131.08566	32.7
132.08873	2.1
133.06516	5.3
133.10130	18.8
134.10472	1.0
135.04396	1.2
135.08060	10.9
135.11691	13.1
137.09607	6.5
139.07533	1.8
141.06995	0.9
141.09096	3.6
142.07794	3.4
143.07077	5.4
143.08557	13.4
145.06485	2.1
145.10121	22.7
147.08043	16.0
147.11671	7.0
149.09619	17.5
150.10016	0.9
151.07504	9.9
151.11189	2.2
153.12724	2.9
155.08565	3.8
157.10112	11.1
159.08012	1.4
159.11693	4.2
161.08344	1.6
161.09601	8.7
161.13261	3.7
163.07526	2.4
163.11189	24.0
164.11491	1.1
165.09142	6.3
167.10652	1.7
169.10072	1.3
170.11032	1.0
171.11676	5.1
173.09593	3.7
173.13200	3.3
175.11229	1.3
175.14821	1.9
177.09116	6.0
179.07065	1.3
181.12207	3.6
183.10190	2.2
184.07336	6.1
185.09534	1.7
187.14819	2.4
189.09058	2.4
189.11119	1.0
189.12737	1.1
189.16391	9.3
191.10634	5.0
195.10147	2.9
199.09673	6.7
199.14838	17.1
201.12772	1.3
201.16412	3.8
203.10655	1.3
203.14310	2.1
209.11693	10.5
214.15718	0.9
215.08533	1.0
217.15860	16.8
223.09604	2.0
223.13326	1.7
225.11174	12.7
227.12395	6.6
227.14781	5.8
235.16885	1.7
239.12871	1.7
245.15341	25.3
246.15694	2.3
253.14326	2.2
255.12247	7.6
255.69644	0.9
263.16422	14.1
273.18515	2.2
281.14078	1.2
281.17432	1.2
283.15393	94.8
284.15707	6.1
291.19507	14.0
292.19934	1.4
301.37418	1.2
309.13342	1.2
311.14871	1.3
319.18887	6.1
319.69684	1.0
327.14282	2.8
337.20068	51.0
337.50406	1.0
338.20450	4.6
365.23196	4.8
400.02750	0.9
425.21509	0.9
435.24023	1.5
447.23679	1.7
451.23166	3.9
465.24753	2.5
467.36032	1.2
527.29828	3.5
545.31073	100.0
546.31342	14.5
563.31952	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.6
55.01875	15.0
55.05519	19.4
57.03440	9.5
59.05021	1.4
60.08173	1.7
61.02922	3.6
64.28818	1.4
65.03936	3.4
67.05502	32.3
69.03428	10.2
69.07072	24.1
69.44543	6.4
71.04990	3.2
72.99426	1.3
79.05493	52.4
81.03411	8.2
81.07059	23.3
83.01347	5.8
83.04980	11.7
83.08629	9.2
85.02920	2.4
86.09714	9.9
87.04470	1.5
91.05481	76.4
92.05788	1.9
93.07043	34.2
95.04980	9.6
95.08609	10.7
97.02905	8.7
97.06541	5.2
97.10168	8.4
98.74744	1.3
99.72852	1.6
103.05486	1.5
105.07040	19.7
107.04959	13.3
107.08597	30.5
109.06524	7.0
109.10147	8.1
111.04435	1.9
111.08100	2.0
115.05451	5.6
116.48643	1.3
117.07016	47.0
119.08587	17.0
120.08797	1.7
121.06528	2.8
121.10112	7.2
123.08080	6.3
124.99999	7.2
125.09625	7.2
129.07011	2.9
131.08536	8.7
133.06476	6.0
133.10104	12.4
135.08051	56.9
135.11696	4.0
137.09612	3.6
143.08598	3.5
145.06525	1.9
145.10089	9.1
145.68915	1.9
147.08063	5.5
147.11652	3.5
149.09692	3.7
151.11192	2.2
153.09152	2.3
157.10088	2.2
159.11542	1.7
161.09637	4.7
163.07555	6.8
163.11185	2.5
165.09065	2.0
169.10127	1.4
170.53658	1.5
171.11746	2.9
175.11208	2.9
177.12692	1.7
179.10692	2.0
181.08620	4.3
184.07343	35.5
184.08936	2.1
189.11247	3.4
193.12288	1.6
195.13814	2.8
199.09682	3.7
205.12231	1.8
223.13237	16.7
225.11256	3.5
227.12856	5.2
253.14397	11.3
255.12273	92.7
256.12741	5.5
273.18472	12.9
275.20020	3.0
283.15372	4.3
291.19528	100.0
292.19849	6.4
309.20563	2.1
337.19974	3.9
347.22037	1.9
349.23788	1.5
365.23260	45.1
366.23651	3.3
425.21823	1.8
447.27563	3.4
451.23053	1.9
465.25116	2.5
527.34406	2.5
528.31000	1.5
545.31091	93.1
546.31262	12.2
581.60474	1.7
633.06805	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.4
55.01870	11.7
55.05267	1.3
55.05510	12.2
57.03436	6.8
57.07081	0.9
58.26697	0.8
59.04993	1.3
61.02924	2.6
64.90842	0.7
65.03938	1.2
67.05504	23.7
69.03415	2.3
69.07073	6.0
71.01347	1.2
71.05006	2.2
73.02923	1.3
77.03911	0.9
77.78777	0.8
79.05492	32.6
81.03429	7.9
81.07056	60.6
83.01351	4.9
83.04974	5.9
83.08605	5.8
85.02904	4.1
85.06554	1.9
85.30381	0.8
86.09683	2.2
87.00814	0.8
91.03941	1.3
91.05483	17.6
93.07043	22.7
95.04960	8.6
95.08607	62.4
96.08964	1.4
97.02892	3.5
97.06534	3.6
97.10175	0.9
98.23383	1.9
99.04442	1.9
99.08083	3.0
103.05451	1.7
105.07029	18.1
107.04955	12.0
107.08602	9.4
109.02888	1.2
109.06523	5.7
109.10159	2.3
111.04437	1.8
111.08064	1.9
117.07017	8.1
119.08586	8.6
121.06490	10.3
121.10135	6.0
121.91045	0.8
123.08065	53.7
124.08404	1.6
125.00014	1.1
125.06056	0.8
125.09624	2.6
127.03927	1.6
128.06210	1.8
129.05511	0.9
129.07011	3.4
130.07750	1.3
131.08562	5.6
133.06465	5.1
133.10133	8.5
135.08049	6.9
135.11711	4.4
137.09563	1.4
139.07509	1.7
141.06908	0.9
141.09087	5.8
141.23849	0.7
142.07768	1.0
143.08527	4.2
145.06418	0.9
145.10120	9.4
147.08043	3.1
147.11694	2.5
149.02318	1.1
149.06000	2.8
149.09631	3.5
151.06346	0.7
151.07536	17.8
151.11168	2.3
153.09175	1.0
153.12677	0.9
155.08403	0.9
157.10147	2.6
159.11665	1.1
161.09665	4.7
163.07555	2.1
163.11183	8.7
165.09096	4.0
167.10733	0.9
169.10083	1.0
171.11674	2.2
173.09663	1.5
175.07527	0.8
175.11139	1.2
177.09055	1.6
179.10678	1.5
181.08554	1.0
181.12222	2.1
183.10210	1.7
184.07300	4.4
185.13234	0.9
189.09041	0.9
191.10696	1.5
193.04990	2.1
195.10155	2.0
199.14809	3.0
209.11722	2.6
209.13518	1.0
217.15904	3.0
223.09593	6.5
225.11211	100.0
226.11604	5.3
227.12646	1.5
227.14580	1.8
235.16957	2.1
245.15355	10.7
253.14355	2.8
255.12267	1.5
263.16498	7.1
264.17014	0.9
281.17477	1.5
283.12238	2.0
283.15375	40.8
284.15747	1.9
311.14886	1.8
319.19067	5.7
321.20764	0.9
337.16348	1.6
337.20108	18.0
338.20450	0.9
355.20816	0.9
391.20969	1.4
447.27365	1.0
449.21628	3.3
451.23206	9.7
527.30292	3.2
545.31067	29.8
546.31458	3.4
743.36395	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	742.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.3
53.30730	0.7
55.01873	12.3
55.05512	8.8
56.65668	0.8
56.95776	0.7
57.03447	7.8
59.04996	0.9
61.02920	3.1
65.03950	3.4
67.05506	46.7
68.82730	0.6
69.03432	4.9
69.07064	10.9
71.04995	4.2
73.02909	1.1
74.65176	0.8
77.03911	0.8
79.05492	50.2
80.05827	1.1
80.21083	0.7
80.72282	0.7
81.03421	8.6
81.07053	38.8
83.01328	5.3
83.04984	7.8
83.08606	3.7
85.02904	4.1
85.06537	3.8
86.09693	1.7
87.04428	0.8
91.05480	83.0
92.05815	1.8
93.07043	36.4
94.07326	0.8
95.04966	8.6
95.08603	11.9
96.67115	0.8
97.02895	2.8
97.06534	5.4
97.10146	0.8
97.65094	0.7
98.23394	1.1
99.04443	1.7
103.05463	2.1
105.04512	1.8
105.07030	34.2
107.04955	12.1
107.08595	45.0
108.08927	1.3
109.02821	1.1
109.06507	7.4
109.10158	40.7
110.10468	1.2
111.04446	2.3
111.08086	3.4
113.05991	1.5
115.05462	7.3
117.07016	46.3
118.07314	1.4
119.06058	0.7
119.08569	12.0
121.06525	4.6
121.10106	4.3
123.08086	3.6
123.11720	6.9
125.05942	1.1
125.09621	1.6
127.07533	2.2
128.06221	1.8
129.06985	3.3
131.08562	6.7
133.06471	3.4
133.10130	53.0
134.10442	2.5
135.08051	47.0
135.11662	2.6
136.08376	1.0
137.09612	1.7
139.07489	0.8
141.06963	0.8
142.07796	0.8
143.08588	3.9
145.06464	1.7
145.10123	4.9
147.08060	2.7
147.11682	2.2
149.09637	4.6
151.11180	23.7
152.11465	1.0
153.09108	1.6
155.08575	0.7
157.10104	2.0
159.08049	1.3
159.11682	1.8
161.09610	5.1
161.13222	1.5
163.07576	5.8
163.11105	1.4
165.09090	0.9
169.10094	0.9
169.12230	4.7
171.11702	2.0
173.09630	1.1
175.11200	2.6
177.09039	1.1
179.10689	2.0
181.08560	3.2
181.09993	0.7
181.12192	1.2
184.07271	3.6
185.13220	1.0
187.11234	0.9
189.12726	1.2
191.10716	1.1
197.11702	1.0
199.09644	2.2
213.76073	0.7
215.12802	3.1
227.17924	1.2
229.07362	1.0
237.11157	0.9
245.19031	2.6
251.12782	2.0
253.14343	100.0
254.14784	4.5
255.12273	55.3
256.12601	2.6
263.20035	3.5
271.15369	2.0
273.18481	17.9
274.18906	0.9
291.19501	16.8
292.19705	1.7
342.44464	0.8
347.22101	6.5
365.23193	20.8
383.24216	0.9
433.22537	1.0
449.21658	3.1
451.23276	36.7
452.23630	2.8
527.29828	5.7
545.31067	39.9
546.31287	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	742.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.5
55.01876	19.2
55.05513	25.3
57.03434	19.4
58.22457	2.4
59.78012	2.2
61.02924	3.5
62.26146	2.2
65.03936	6.0
67.05507	70.8
69.03429	7.8
69.07063	26.2
71.05004	4.7
73.06567	2.7
79.05495	92.2
79.21150	2.3
81.03406	20.5
81.07057	90.6
83.01360	3.3
83.04974	23.1
83.08600	12.6
85.02925	7.5
85.06537	3.1
86.09710	15.9
91.05482	100.0
93.07043	87.5
94.07353	3.1
95.04977	20.1
95.08607	52.8
97.02872	6.1
97.06527	15.0
97.10183	4.4
98.35494	2.5
99.04462	2.5
103.05441	2.5
103.36934	2.8
105.04504	4.3
105.07033	62.5
107.04955	22.4
107.08589	36.8
109.06525	16.2
109.10160	11.3
111.08082	3.7
115.05492	3.3
117.07035	27.1
118.07256	3.2
119.08591	32.2
121.06509	8.6
121.10148	18.0
123.08076	32.1
124.53546	2.4
125.00016	8.2
125.09641	5.4
128.06216	6.2
129.07010	19.5
131.08572	23.7
133.06512	7.3
133.10133	33.4
135.08095	19.5
135.11713	8.5
137.09602	5.9
138.81923	2.3
141.07022	4.5
143.08548	13.2
145.06496	2.6
145.10117	23.8
147.08028	6.1
147.11693	23.3
149.09624	24.9
149.13309	3.5
151.07550	10.7
151.11195	5.1
155.08562	3.8
157.10158	6.2
159.11679	6.1
161.09612	9.2
161.13297	9.2
163.07587	3.2
163.11206	12.5
165.09068	3.4
167.10597	3.6
169.10075	4.7
171.11690	12.6
173.09505	2.7
173.13177	5.3
177.08978	3.1
179.10716	5.3
181.12146	3.1
184.07318	40.7
185.13184	4.0
187.11176	4.2
187.14784	3.0
189.12761	6.3
199.09595	5.2
201.16382	7.7
207.13745	15.1
209.11696	3.9
211.14771	4.6
224.04059	2.7
225.11208	39.1
227.12825	6.8
229.15997	12.1
229.32254	3.2
232.65036	3.1
241.14304	9.1
245.15295	5.5
247.17032	13.7
253.14366	30.7
255.12250	10.3
255.15990	3.6
263.16528	4.4
265.17984	3.4
269.17477	6.9
275.19980	4.9
281.17456	47.6
283.15424	18.2
291.19650	4.1
303.19705	2.6
321.20609	13.9
337.20038	9.9
349.23511	6.1
365.23148	4.7
407.23929	3.6
433.25998	17.2
447.27444	75.3
448.27588	10.3
470.56027	2.7
527.33881	21.2
545.30963	22.1
546.30896	3.4
591.31281	3.3
743.36328	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	742.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
55.01878	11.6
55.05509	16.8
55.41340	1.6
57.03444	12.9
60.08165	2.8
61.02916	3.3
65.03950	3.9
66.31699	1.5
67.05505	50.4
69.00354	1.3
69.03432	5.7
69.07069	18.4
71.04999	3.1
79.05496	53.4
81.03423	17.5
81.07057	47.4
83.01337	3.4
83.04989	18.0
83.08613	10.4
85.02904	4.4
85.06536	4.2
86.09710	14.2
87.04508	1.5
90.85541	1.4
91.05479	100.0
92.05777	2.4
93.07044	39.0
95.04980	15.1
95.08607	23.4
97.02886	3.9
97.06518	11.0
97.10175	6.1
98.23444	3.0
98.98483	2.7
99.08076	2.5
103.05518	2.5
105.07030	43.1
107.04956	14.6
107.08596	33.2
109.06516	8.1
109.10152	16.7
111.04440	3.1
111.08113	4.0
113.06010	2.3
115.05446	7.0
117.07021	37.1
119.08574	24.0
120.08163	1.6
121.06519	7.8
121.10156	11.9
123.08071	9.5
123.11732	3.5
125.00008	7.6
125.09657	4.3
127.03905	2.6
128.06216	2.6
129.05424	2.0
129.06984	5.6
131.08578	14.6
133.06485	4.4
133.10130	39.8
134.10500	1.6
135.08058	30.1
135.09074	1.6
135.11705	7.8
136.08357	1.8
137.09628	3.8
141.06970	2.1
143.08589	7.2
145.06473	1.9
145.10118	9.9
147.08072	4.4
147.11658	7.3
149.09592	13.3
149.13264	3.9
151.07574	3.8
151.11154	8.7
153.09097	1.6
155.08549	2.4
157.10136	5.9
159.11723	5.3
161.09599	13.7
161.13298	2.8
163.07553	2.6
163.11121	8.3
169.12233	1.6
171.11697	5.4
173.09691	2.4
173.13324	2.3
175.11165	2.9
177.12691	1.8
179.10699	6.4
181.08569	2.1
183.11592	1.7
184.07358	41.1
185.13222	1.6
189.11206	1.6
189.12781	1.6
197.11736	2.4
198.40454	1.6
199.09634	2.6
223.13292	4.4
225.11110	8.4
227.12834	4.6
245.15445	1.7
245.18968	2.2
253.14339	49.5
254.14693	1.9
255.12253	31.5
256.12482	2.5
257.18979	2.5
263.16418	1.9
269.17505	5.7
273.18463	9.6
275.19986	10.7
283.15399	8.9
291.19516	30.3
292.19717	1.6
297.16980	1.7
309.20670	1.8
319.19290	1.4
337.20120	5.4
347.22113	3.3
349.23810	8.9
365.19305	2.1
365.23264	14.8
371.68198	1.5
423.23727	2.8
433.25601	6.8
447.27426	23.6
448.27765	4.2
451.23175	9.5
487.30273	3.0
527.34454	7.5
545.31079	35.3
546.31274	3.5
575.65033	1.7
626.43140	1.5
687.64325	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	13.6
55.01870	19.6
55.05512	27.5
57.03434	22.0
59.04998	2.0
61.02924	3.8
61.15083	2.2
65.03935	4.3
67.05504	69.1
68.05833	2.4
69.03418	9.3
69.07068	32.3
70.33855	2.4
70.34212	6.5
71.04986	7.4
71.08639	3.8
73.23230	2.2
76.05137	2.1
77.03913	2.1
79.05491	92.6
80.05830	2.3
81.03416	23.5
81.07056	82.7
82.07397	3.9
83.01353	2.7
83.04987	21.8
83.08634	18.5
85.02903	6.7
85.06523	4.2
86.09701	11.4
91.05480	100.0
92.05791	2.2
93.07041	79.9
94.07356	4.8
95.04960	20.7
95.08608	67.1
97.02889	5.1
97.06543	18.7
97.10163	4.4
98.98444	2.6
99.08103	6.7
103.05471	4.9
105.07025	56.4
106.07342	3.4
107.04945	15.4
107.08588	35.2
109.02850	2.6
109.06522	17.8
109.10133	13.6
111.04440	3.1
111.08064	4.7
115.05441	4.3
117.07026	27.9
119.08573	29.0
121.06519	9.2
121.10131	21.2
123.04456	2.3
123.08060	36.6
123.11686	4.4
124.99997	7.7
125.05947	4.5
125.09611	5.3
127.03903	2.5
128.06184	4.0
129.07018	16.2
131.08583	26.6
133.06471	4.5
133.10115	34.2
135.08046	20.5
135.11700	6.9
137.09583	5.0
141.06961	3.8
141.09138	2.4
143.06963	2.4
143.08556	10.1
145.10106	24.6
147.08054	6.8
147.11693	22.4
149.09612	23.0
149.13202	2.9
151.07555	6.7
151.11205	7.9
153.09117	5.0
155.08458	2.2
157.10150	7.5
159.07986	3.6
159.11656	7.9
161.09622	9.4
161.13263	6.5
163.07570	3.8
163.11179	13.0
165.09189	4.5
167.10640	3.5
169.10143	5.2
171.11649	13.6
173.09561	3.4
173.13194	3.6
179.10719	3.3
181.12259	3.5
183.11720	2.6
184.07330	37.5
185.13216	3.2
187.11159	2.8
189.11252	2.6
189.12781	9.4
199.09673	5.3
199.14769	4.6
201.12759	2.2
201.16426	8.3
207.13799	14.5
209.11662	3.4
211.14799	4.0
217.15869	3.8
223.09665	3.8
225.11223	49.5
226.11604	3.5
227.12787	9.1
229.15881	11.6
235.16869	2.5
236.15053	3.3
239.12810	2.5
241.14391	9.1
245.15425	5.3
247.16936	13.5
253.14348	25.1
254.14589	2.7
255.12338	13.2
263.16391	6.8
265.17920	2.2
269.17389	2.6
275.20151	5.9
281.17468	37.8
283.15384	29.4
291.19565	6.8
319.18985	4.3
321.20560	12.5
337.20038	11.0
349.23892	3.7
365.23138	2.9
377.23178	3.2
408.58578	2.3
433.25903	16.7
447.27441	57.9
448.27539	6.9
449.21530	3.3
451.23221	9.3
509.32892	2.8
523.28406	2.2
527.33984	22.6
528.33929	2.6
531.71832	2.7
545.30774	27.9
546.31207	5.0
623.33557	2.4
743.36035	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	742.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	8.6
55.01871	8.5
55.05518	25.6
57.03430	13.2
65.03968	3.8
67.05505	64.4
69.03426	6.4
69.07072	17.9
71.04980	9.5
78.35139	3.4
79.05490	86.5
80.05845	3.4
81.03416	16.0
81.07058	52.9
82.07391	3.6
83.04984	24.1
83.08631	8.3
83.92364	3.4
85.02885	6.9
85.06538	6.9
86.09706	8.1
91.05479	100.0
92.05796	8.4
93.07043	71.6
95.04962	19.7
95.08599	35.0
97.02922	8.6
97.06542	9.8
97.10198	5.0
99.04454	4.4
99.08132	8.3
103.05475	4.6
105.07031	76.9
106.07382	4.9
107.04984	17.2
107.08591	34.0
109.06523	11.4
109.10163	9.5
111.08105	5.6
117.07018	21.5
119.08578	47.0
120.08918	3.8
121.06474	7.1
121.10129	23.2
123.08073	6.2
124.99950	4.2
128.06235	6.7
129.05525	4.5
129.07007	20.6
131.08553	29.5
133.10127	55.1
134.10437	4.1
135.08067	10.2
135.11708	9.7
137.09654	4.1
143.08586	14.4
145.10141	27.0
147.08009	5.4
147.11700	48.9
148.11945	3.5
149.09615	20.1
151.11185	5.5
157.10155	10.3
159.11703	9.8
160.96559	3.9
161.09682	4.6
161.13263	6.2
163.11209	6.8
167.10728	4.0
169.10129	6.1
171.11682	29.0
173.13298	7.4
177.12656	5.0
181.12268	3.7
184.07349	19.8
189.12782	5.5
203.17993	4.4
207.13817	14.3
213.16371	16.4
229.15887	10.0
231.17476	30.7
236.14905	4.8
241.14345	9.4
253.14409	14.6
255.15218	4.2
259.20520	4.3
275.20148	3.7
281.17471	34.7
282.17722	5.1
305.21051	11.9
315.28021	3.8
419.28815	5.2
447.27582	17.8
469.96384	3.3
511.34131	8.1
527.33972	4.1
529.35016	6.0
545.34558	5.9
605.79108	4.3
738.23969	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	742.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01880	4.7
55.05510	11.6
56.20100	0.5
57.03202	0.8
57.03445	8.6
57.07076	4.5
58.06606	7.1
59.04994	2.6
59.07382	1.2
60.08149	1.7
61.02915	1.9
65.03922	0.8
67.05508	16.8
69.03428	1.5
69.05376	1.7
69.05795	3.1
69.07076	9.1
71.01356	0.7
71.04988	2.4
71.08617	2.4
73.02917	1.5
75.04513	0.6
79.05070	1.1
79.05497	14.2
81.03078	0.5
81.03429	6.7
81.07059	22.6
82.07378	1.0
83.01355	4.5
83.04979	6.0
83.08617	10.5
84.08972	0.8
85.02920	5.0
85.06552	0.9
87.04431	0.8
91.03954	1.3
91.05481	12.1
93.07043	17.3
94.07349	0.7
95.04968	3.7
95.08608	15.0
96.08939	0.6
97.02882	3.0
97.06512	4.3
97.10181	3.1
98.22592	0.9
99.04456	1.2
100.12936	0.5
105.07025	9.1
107.04970	4.1
107.07940	1.0
107.08602	8.9
109.06535	5.0
109.10157	5.4
109.22415	0.5
111.04440	1.5
111.08065	1.7
111.11694	0.6
113.05996	0.6
117.07017	4.1
119.08585	7.9
121.06509	2.3
121.10146	7.3
123.08079	5.7
123.11705	3.0
125.05979	0.8
125.09634	0.7
127.03886	1.0
129.05482	3.1
129.07011	1.1
130.07748	0.7
130.79013	0.6
131.08563	2.3
133.10141	5.2
133.78590	0.5
135.08061	1.3
135.11691	9.4
136.12004	0.6
137.09631	1.3
137.13240	0.6
139.07550	0.9
143.08588	0.8
144.10168	3.9
145.10130	9.7
147.08014	0.9
147.11674	2.7
149.09639	0.9
153.12752	1.7
155.08603	0.9
161.13237	1.6
162.11258	0.6
163.11186	14.1
164.11539	0.7
173.09624	2.6
179.17882	0.6
181.12230	1.9
184.07356	1.2
190.63274	0.7
191.10658	2.7
209.11765	5.7
227.12750	5.2
236.14926	18.8
237.15285	1.8
241.51831	0.6
245.22623	5.7
259.73688	0.6
263.23685	4.0
283.15405	100.0
284.15723	5.1
309.17038	0.6
311.25778	0.7
337.27362	20.2
337.31366	1.0
338.27725	1.5
410.25510	1.2
428.26654	1.0
482.38309	1.1
500.39325	2.4
545.38354	10.8
692.50922	17.2
693.51282	2.0
742.41742	1.0
742.54700	2.6
743.43518	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	742.473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
55.01881	4.2
55.05513	16.8
57.03197	1.1
57.03443	12.0
57.07066	2.5
59.04987	1.9
61.02929	3.7
63.75721	0.8
65.03936	1.4
67.05505	28.9
69.03439	1.9
69.07072	13.4
71.04986	3.2
71.08633	1.2
73.02923	1.3
77.10874	0.9
79.05499	18.1
81.03405	5.5
81.07059	34.9
82.22919	0.7
83.01342	6.2
83.04976	7.4
83.08622	11.6
85.02908	5.0
85.06575	1.2
86.94844	0.8
91.03943	1.1
91.05480	10.4
93.07043	20.3
95.04950	4.2
95.08607	21.2
97.02889	3.7
97.06522	3.2
97.10162	4.1
99.04468	1.4
105.04456	0.9
105.07044	7.5
107.04960	3.9
107.08596	9.5
109.06504	4.1
109.10159	9.3
111.04432	1.5
111.08104	2.3
115.05437	1.1
117.07022	4.2
119.08585	6.7
121.06538	1.4
121.10144	10.1
123.08081	4.7
123.11690	3.2
125.05937	0.9
125.09641	1.4
129.06990	1.9
130.64368	0.7
131.08548	2.0
133.10127	4.7
135.11696	9.4
137.09628	1.6
137.13269	1.0
140.58994	0.7
143.08559	1.0
145.10132	9.3
147.08046	1.5
147.11710	2.6
149.09705	1.0
149.13197	0.9
153.12823	1.6
155.08569	1.7
161.13292	1.8
163.11177	13.8
163.14821	0.8
173.09604	1.9
175.14769	1.0
181.12280	1.7
191.10626	2.3
209.11717	5.0
222.88831	0.8
224.20772	0.9
227.12735	5.2
236.15071	0.8
245.22614	2.3
263.23691	4.3
283.15399	100.0
284.15726	5.9
335.25671	0.9
337.27359	71.9
338.27667	5.6
395.54565	0.9
435.32617	1.1
453.33646	2.5
459.06528	0.7
527.37323	2.3
545.38354	38.5
546.38812	5.7
563.39294	1.1
742.43341	1.1
743.44098	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01877	6.9
55.05510	23.3
56.05835	1.0
57.03436	12.2
57.07069	3.8
58.06601	2.0
59.04996	1.8
61.02920	4.5
65.03940	1.7
67.05507	38.9
68.08293	1.2
69.03432	1.5
69.07068	17.4
71.05000	2.2
71.08652	1.4
73.02916	1.3
79.05493	23.5
79.05911	1.9
81.03429	7.8
81.07058	42.7
82.07365	1.2
83.01345	6.4
83.04977	8.8
83.08621	15.8
85.02907	7.2
85.06539	1.6
86.09723	1.5
91.03960	2.0
91.05476	13.3
93.07043	26.4
95.04952	6.1
95.08610	31.4
97.02887	3.7
97.06514	6.0
97.10165	5.5
98.22562	2.6
99.04475	2.2
99.08109	2.0
105.07008	8.6
107.04959	5.3
107.08588	12.8
109.06518	3.5
109.10143	14.5
111.04453	1.7
111.08118	1.4
117.07034	5.0
119.08593	9.7
121.06499	2.0
121.10149	9.9
123.08041	5.0
123.11742	5.6
125.09618	1.9
129.07050	1.3
130.07851	1.3
131.08580	4.0
133.10153	5.3
135.11694	11.2
137.13242	1.6
145.04999	1.1
145.10133	8.1
147.08026	1.4
147.11713	2.8
149.13280	1.9
153.09102	1.1
161.13298	2.8
163.11177	15.2
165.82123	1.0
166.03828	1.0
173.09657	2.0
175.14941	1.5
175.62033	1.0
181.12245	2.5
184.07373	3.7
185.61092	1.3
189.11246	1.1
191.10641	2.8
209.11772	5.0
227.12869	5.8
245.22748	3.1
263.23657	6.6
283.15405	100.0
284.15820	6.7
301.25137	1.5
319.26245	1.2
337.27356	93.7
338.27695	8.3
527.36932	2.2
545.38367	76.1
546.38831	9.6
563.39368	1.4
742.42670	8.1
743.42322	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	742.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72618	2.6
53.03935	5.8
55.01859	4.8
55.05513	28.1
57.03439	16.7
57.07067	2.9
61.02914	7.6
65.03941	7.3
67.05506	69.1
68.05839	2.4
69.03439	6.2
69.04413	24.0
69.04684	2.1
69.07077	20.0
71.05010	5.2
73.02911	2.3
73.51600	2.8
79.05493	55.4
80.34471	2.5
81.03416	55.9
81.07056	65.8
83.04982	14.7
83.08623	30.5
85.02904	24.2
85.06523	2.9
86.09706	2.7
87.01675	2.1
91.03944	3.8
91.05478	42.3
93.07049	53.4
94.07404	2.7
95.04971	23.5
95.08612	44.7
97.02922	5.1
97.06532	7.3
97.10160	5.4
98.22642	5.3
99.04472	2.4
105.07037	33.9
107.04932	6.7
107.08595	27.2
109.06509	6.6
109.10155	21.7
111.04435	3.0
111.08086	8.8
117.07001	9.4
119.08580	25.5
121.10149	21.5
123.08111	3.6
123.11706	5.3
125.09611	2.8
128.06284	2.5
129.06996	10.0
131.08575	19.6
133.10136	16.5
135.11703	9.2
142.07858	2.5
145.10129	10.1
147.08110	4.3
147.11696	17.1
149.09608	7.8
149.13258	5.3
155.08624	2.4
157.10117	11.8
159.11720	7.2
161.13229	5.1
165.12782	3.7
169.10159	4.3
171.11685	3.1
173.13237	3.2
175.11238	11.4
175.14795	2.8
184.07359	9.4
193.12219	38.3
205.96141	2.6
211.13284	57.7
211.15179	4.3
227.12715	2.7
236.14902	3.5
243.21059	6.0
261.22095	13.8
267.15848	16.4
285.16962	64.4
317.24756	3.9
335.25809	100.0
336.26132	7.9
337.26840	2.9
383.11063	2.7
400.30157	2.8
423.17679	2.6
479.91626	2.6
527.37433	13.2
545.38428	89.6
546.38812	14.2
581.41931	12.4
742.44568	4.2
743.47424	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	742.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
54.83873	0.6
55.01868	3.8
55.05517	18.6
57.03445	10.7
57.07082	5.5
58.06596	1.5
59.04992	1.9
60.37569	0.6
61.02926	4.0
65.03935	1.4
67.05508	23.3
68.05824	0.8
69.03431	1.2
69.07072	11.0
70.97488	0.6
71.01360	0.9
71.04988	2.5
71.08635	4.3
73.02908	1.3
79.05494	19.5
81.03422	7.2
81.07059	35.3
83.01342	4.8
83.04992	6.1
83.08620	9.8
84.08852	0.7
85.02901	5.3
85.06551	1.4
85.10177	0.9
91.03964	0.8
91.05482	15.8
92.80637	0.6
93.06471	1.3
93.07047	20.7
94.07343	0.7
95.04976	4.8
95.08607	24.7
97.02884	4.4
97.06546	5.1
97.10191	4.2
99.04464	0.7
100.79984	0.6
105.07035	12.9
107.04968	4.1
107.08599	12.5
109.06532	4.2
109.10164	9.6
110.69935	0.7
111.04465	2.0
111.08091	1.8
111.11724	0.9
114.58022	0.6
117.07015	4.1
119.08590	9.9
121.06487	1.9
121.10140	9.4
123.08054	4.5
123.11716	4.6
125.05984	1.2
125.09661	1.3
128.06204	0.8
129.05505	1.1
129.06969	0.9
129.61076	0.6
131.08589	2.1
133.10144	8.0
134.92673	0.7
135.08061	0.7
135.11699	9.6
137.09630	2.5
137.13322	0.7
141.12796	3.8
145.10127	8.0
147.08090	1.0
147.11734	3.4
149.09628	1.0
149.13284	1.4
151.11176	0.8
151.14842	1.2
152.88437	0.6
153.12675	1.1
155.08545	0.9
155.14304	0.7
161.13257	2.7
163.11192	14.4
163.14891	1.6
173.09598	2.4
175.14801	1.5
179.18004	2.0
179.34932	0.6
181.12262	2.3
189.11240	1.4
189.16322	0.7
191.10678	2.2
209.11740	6.8
227.12881	5.7
236.14925	1.7
237.15590	0.8
245.22685	13.8
261.22232	0.8
263.23672	9.5
264.24100	0.9
283.15402	100.0
284.15738	4.9
329.02927	0.8
337.27356	40.5
338.27579	2.4
453.33411	1.8
471.34268	0.8
545.38367	19.6
546.38519	1.5
692.50427	1.5
742.41345	1.5
742.53723	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17596	1.8
53.03946	8.0
55.05517	26.8
57.03440	22.6
57.07061	2.6
61.02916	5.5
65.03922	3.5
67.05508	75.7
69.03422	7.7
69.06834	12.6
69.07091	12.1
71.04992	7.3
73.02908	2.4
75.53410	1.8
79.05497	55.1
81.03421	75.5
81.06585	4.1
81.07059	80.0
83.04986	17.0
83.08621	31.6
85.02908	34.3
85.06534	4.3
88.61730	2.0
91.03922	3.4
91.05488	49.1
93.07044	54.1
93.07629	2.7
94.07363	2.1
95.04978	35.9
95.08609	53.1
97.02882	7.5
97.06523	7.4
97.10152	7.9
99.08086	3.8
105.07027	34.7
107.04955	8.2
107.08598	27.8
109.06525	7.7
109.10152	20.5
111.08076	16.3
113.06035	3.0
115.05453	2.1
117.07040	5.8
119.08588	34.2
121.06472	2.0
121.10136	27.0
123.08022	2.8
123.11665	5.4
129.07008	10.8
131.08572	22.6
133.10149	22.3
135.11723	13.1
137.09622	4.2
139.78423	1.7
142.07780	3.9
142.18095	2.1
143.01595	2.0
145.10127	7.7
147.08052	4.2
147.11703	26.2
148.94594	2.0
149.09584	6.7
149.13255	4.4
154.28352	1.9
157.10121	17.8
159.11688	5.6
161.13286	3.7
163.10992	2.6
165.12733	2.7
167.08351	2.0
173.13284	5.0
175.11189	16.3
176.35031	2.3
184.07292	3.8
189.78441	2.5
193.12239	57.1
194.12526	3.3
211.13298	90.6
212.13692	3.5
236.14969	2.4
243.21066	3.8
261.22122	9.7
267.15912	19.2
280.90378	2.0
285.16977	88.6
286.17453	4.9
301.24991	2.0
313.83136	2.0
317.24780	4.7
335.21738	4.5
335.25827	92.3
336.26086	5.5
435.32504	2.9
527.37073	8.9
545.38397	100.0
546.38611	13.9
743.37946	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	742.5463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.5
57.03439	5.3
57.07074	4.7
58.06600	35.5
59.07375	9.0
60.08166	8.3
67.05515	5.0
69.07071	2.5
71.08619	3.8
75.04488	2.9
79.05504	1.6
81.07065	3.7
85.02924	2.5
85.10182	2.2
87.04492	3.3
91.05484	2.8
93.07066	2.5
95.08614	4.1
97.06576	1.6
107.08627	2.2
109.10204	1.3
125.16499	1.2
144.10184	14.7
145.10309	1.9
162.11307	5.3
163.11276	1.5
176.00101	1.2
182.74225	1.2
236.14922	100.0
237.15247	4.1
244.99657	1.3
283.15439	1.4
292.29514	1.3
415.74945	1.2
440.41074	1.3
444.25937	2.6
458.27905	2.9
476.28674	4.0
484.40106	7.8
485.40436	1.3
502.40930	15.0
503.41898	2.2
706.34351	1.3
710.51593	6.3
724.53796	1.6
742.54590	80.4
743.54907	14.7
770.93213	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.4
55.01873	1.4
55.05515	2.2
57.03431	3.0
59.05016	0.4
61.02923	5.8
62.20194	0.5
67.05505	4.3
69.03426	3.6
69.07072	1.0
70.49784	0.6
71.01361	1.1
71.05003	1.6
73.02920	3.3
79.05482	4.7
80.05041	0.9
80.12897	0.5
81.03415	5.5
81.07064	4.5
83.01348	0.6
83.04992	1.7
83.08620	1.3
85.02909	7.0
86.06081	0.5
87.04492	0.6
91.03950	3.4
91.05474	3.5
93.07037	5.4
95.04984	2.0
95.08628	1.6
97.02897	4.7
97.06529	2.3
97.10184	0.5
99.04463	1.4
101.02409	2.0
101.96436	0.4
105.07044	2.2
107.04996	2.2
107.08610	2.2
109.02907	1.7
109.06537	1.1
109.10201	1.4
111.04465	0.7
117.07040	0.9
119.08600	1.7
121.10143	3.1
123.08107	1.0
125.06086	0.5
127.03940	1.8
129.07005	0.6
130.05046	2.1
131.08601	2.0
133.10158	1.1
133.31201	0.4
135.08067	0.8
135.11732	1.9
145.10101	2.2
149.09657	1.3
163.11176	3.0
173.09714	0.5
173.11678	0.5
185.04326	0.6
185.77852	0.5
187.88568	0.5
191.10654	0.5
193.12376	0.6
203.05371	0.6
209.09219	2.7
210.07649	0.5
243.08369	2.5
267.12103	1.4
281.13605	1.0
283.15515	1.5
299.14886	1.1
384.84073	0.6
389.42426	0.4
441.17639	0.7
443.18945	0.8
457.20865	1.0
467.18869	8.0
468.19290	0.8
483.18756	1.6
485.19815	3.3
497.45462	0.5
499.21802	1.8
501.23297	1.1
517.22675	3.4
665.31696	0.8
669.31256	0.8
683.32147	2.5
693.30914	3.4
711.32147	7.8
712.32306	1.2
725.33484	6.5
726.34357	1.1
743.34613	100.0
744.34991	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	743.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
53.70522	0.5
55.01871	1.1
55.05515	1.9
57.03437	2.0
57.33261	0.6
59.58813	0.5
61.02925	6.8
67.05499	5.3
69.03429	4.9
69.07085	1.4
71.01352	1.0
71.04991	2.1
73.02910	4.9
76.36804	0.5
79.05498	5.7
80.05019	3.2
81.03421	4.4
81.07053	5.2
83.01310	0.9
83.04991	1.7
83.08616	1.4
84.04514	0.8
85.02905	8.1
85.03370	0.8
86.06087	2.5
91.03947	4.3
91.05486	3.6
93.07039	5.4
95.05003	1.9
95.08621	2.0
97.02883	7.6
97.06522	2.9
97.10217	0.6
98.22621	1.2
99.04472	1.7
101.02392	2.3
105.07042	1.5
106.06581	0.6
107.04972	1.5
107.08557	2.7
109.02916	1.4
109.06525	0.9
109.10162	1.5
111.04469	1.1
117.07046	1.7
119.08585	2.5
121.06532	0.5
121.10121	3.4
123.08112	1.4
125.06023	0.5
127.03957	2.7
129.47263	0.5
130.05005	8.4
131.08612	1.6
133.10100	0.5
135.11678	2.4
139.11157	0.9
143.85136	0.5
145.10179	2.0
147.07933	0.5
149.09653	0.5
163.11182	4.0
173.09677	0.7
181.12209	0.8
185.04266	1.0
191.10750	0.9
199.73914	0.5
209.09254	7.2
209.11440	0.8
210.92857	0.5
214.96852	0.5
243.08356	3.8
249.11317	0.6
267.12115	2.0
275.74677	0.5
281.13556	1.1
283.15366	1.1
299.14777	1.5
439.19525	0.8
457.20609	1.8
460.27832	0.7
467.18866	8.7
468.20099	0.5
485.19705	4.4
499.21942	2.5
517.22595	3.1
669.31122	0.8
683.32452	3.8
711.31860	10.4
712.32660	1.0
725.33545	6.4
743.34619	100.0
744.34991	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	743.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
54.99688	0.5
55.01871	1.4
55.05513	3.8
55.21536	0.4
57.03434	3.3
57.07071	1.0
57.41173	0.5
58.06582	2.1
59.05005	0.5
60.08159	0.6
61.02933	5.6
61.78979	0.4
65.03941	1.0
67.05505	10.5
68.05817	0.5
69.03428	3.6
69.06644	3.3
69.07081	2.7
71.01383	0.6
71.04990	1.7
71.08637	1.0
73.02911	3.5
79.05493	8.8
80.05820	0.7
81.03424	3.3
81.07062	9.1
82.07390	0.7
83.01345	0.7
83.04990	1.5
83.08608	3.4
85.02907	5.9
85.06567	0.5
86.09711	0.5
87.04481	0.6
91.03979	2.5
91.05480	4.7
91.05962	0.6
93.07043	8.5
94.07394	0.6
95.04977	1.6
95.08604	7.2
96.08945	1.0
97.02892	4.7
97.06534	1.0
97.10157	2.3
99.04447	0.9
101.02398	1.5
105.07047	3.6
106.07354	0.5
107.04953	0.8
107.08603	4.1
108.05253	0.6
109.02892	0.9
109.06541	1.4
109.10164	2.7
111.04507	0.6
117.07021	1.5
119.08582	3.2
120.08896	0.6
121.10147	2.7
123.11739	0.9
125.09663	1.9
127.03946	1.8
129.06969	1.0
130.43715	0.4
131.08594	1.2
133.10147	1.8
134.10553	0.4
135.11674	2.3
137.09613	0.7
143.08588	0.5
145.10138	1.8
146.10513	0.7
147.11720	1.3
149.13283	0.7
161.13257	0.7
163.11201	1.9
163.14828	0.6
164.11523	0.5
173.09763	0.5
177.12682	0.4
184.07430	1.9
185.04184	0.5
189.11287	1.2
211.82664	0.5
227.12743	3.6
236.12466	0.6
236.14859	4.4
237.15431	1.6
243.08434	2.1
245.13760	2.3
245.22728	0.5
247.13084	1.1
283.15372	8.0
283.18253	0.5
284.15747	4.5
285.16888	0.4
313.27481	1.4
335.25839	1.2
337.27448	3.6
338.27737	3.3
339.28964	0.8
410.25610	0.6
428.26254	0.6
429.26758	0.6
465.20831	3.5
483.36838	1.1
519.29327	8.4
520.30176	0.9
545.38281	1.9
546.38715	4.1
547.39880	1.1
581.41748	0.6
692.50775	1.5
693.51068	5.8
694.51099	0.6
743.43323	100.0
744.43652	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	9.7
55.01878	22.6
55.05515	38.2
57.03436	41.3
57.07068	2.4
59.05001	4.2
60.11716	1.9
61.02928	6.6
65.03941	4.4
67.05502	55.7
69.03434	14.1
69.07067	33.5
69.10525	17.7
70.50051	1.8
71.01346	5.6
71.05000	8.6
78.96806	1.9
79.05492	100.0
80.05820	2.8
81.03416	32.4
81.07053	73.6
83.01333	15.0
83.04980	25.5
83.08613	22.4
85.02914	15.1
85.06540	3.4
89.19297	2.1
91.03944	3.6
91.05476	80.7
92.05798	2.5
93.07044	89.4
94.07339	2.4
95.04980	21.1
95.08604	38.7
97.02898	7.5
97.06521	19.9
97.10175	5.1
99.04461	5.3
99.08109	4.5
103.03949	2.2
103.05499	3.0
105.04533	3.0
105.06314	2.9
105.07017	39.1
107.04946	20.5
107.08587	42.0
108.60965	2.2
109.02886	3.1
109.06519	18.3
109.10158	13.5
111.04430	7.0
111.08114	9.7
115.05464	5.2
117.07018	43.8
119.08587	36.5
121.06530	12.5
121.10146	41.3
123.08045	20.6
125.05981	4.0
125.09622	8.0
127.03917	5.5
128.06258	5.5
129.05499	5.0
129.07018	12.6
130.07840	3.5
131.08565	37.1
133.06499	2.9
133.10124	23.9
135.08047	33.2
135.11682	15.8
137.09607	9.0
139.11203	4.5
141.06964	6.5
143.07076	3.7
143.08557	7.5
145.04944	3.0
145.06537	2.8
145.10112	46.5
147.08046	7.8
147.11674	6.3
149.09607	32.8
151.11182	5.7
153.09099	5.1
153.12704	5.5
155.08542	5.1
157.10136	5.9
159.07957	2.8
159.11691	9.5
161.09608	3.9
163.11183	31.3
165.09135	2.8
167.10719	7.6
169.10153	6.9
171.11685	2.2
173.04448	2.7
173.09654	7.0
173.13263	3.2
175.11287	2.4
181.12222	5.6
183.11699	5.2
185.13260	3.6
187.11115	4.9
187.14885	6.4
189.12886	2.2
191.10698	4.0
193.12308	2.1
199.09822	4.2
201.16412	8.3
209.11630	11.4
211.14827	5.7
219.17413	3.0
227.12753	31.3
229.15942	20.5
241.14333	41.3
247.16895	21.9
255.12279	19.0
257.19116	2.1
265.18018	3.9
269.17456	2.3
275.20026	6.2
283.15390	98.0
284.15732	5.4
303.19427	3.6
321.20557	29.6
339.21771	4.0
349.23660	2.7
385.18402	3.2
409.22290	3.7
425.21796	2.4
431.24469	2.6
435.23743	25.2
436.23953	3.5
449.25302	87.5
450.25589	7.6
450.93741	2.6
489.28308	5.1
529.31610	28.7
530.31885	4.8
547.32721	15.4
593.29498	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	744.416
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16017	2.4
53.03941	10.3
55.01879	23.0
55.05515	28.7
57.03439	34.5
57.07064	2.6
61.02916	4.4
65.03961	3.3
67.05505	62.8
69.03433	12.9
69.07071	31.9
69.60281	6.8
69.60697	7.3
71.01350	4.3
71.05001	8.0
73.02918	2.4
75.04422	2.5
79.05495	94.4
81.03419	30.0
81.07059	75.9
83.01340	12.4
83.04977	18.6
83.08625	21.3
83.28511	2.3
85.02894	9.5
85.06520	4.4
91.05480	99.2
91.49948	2.2
93.07041	85.6
95.04959	15.3
95.08596	30.5
97.02897	6.5
97.06516	19.4
97.10181	8.5
99.04442	4.7
99.08075	4.2
105.04547	4.5
105.07031	44.1
107.04969	19.1
107.08595	66.9
109.02875	4.6
109.06513	14.6
109.10129	8.2
111.04421	5.5
111.08096	3.1
115.05421	6.5
117.07020	70.8
119.08586	31.7
119.71856	2.7
121.06491	8.0
121.10136	30.3
123.08105	14.9
123.11676	3.8
125.06023	2.8
125.09625	9.2
127.03927	6.8
128.06161	2.5
129.05449	3.8
129.07001	8.6
131.08575	26.5
133.10123	21.9
135.08049	76.5
135.11656	12.6
136.08377	3.6
137.09630	6.7
139.11139	3.9
143.07060	3.3
143.08537	5.1
143.98769	2.4
145.06461	3.0
145.10114	28.8
147.08055	3.8
147.11655	7.9
149.09576	18.1
149.13271	7.6
151.11182	4.5
153.09113	3.2
155.08492	5.1
157.10106	3.5
159.11670	9.5
161.13170	2.9
163.07523	9.5
163.11182	24.2
167.10681	4.7
169.10132	6.3
171.11668	4.6
173.09637	6.8
173.13205	6.9
177.12698	4.7
181.08488	4.5
181.12321	3.6
187.14766	3.0
189.11212	6.0
191.10617	2.9
195.13828	3.2
199.09631	8.5
201.11130	3.4
201.12796	3.0
209.11729	6.8
211.14839	3.2
227.12762	31.2
229.15941	8.3
229.19429	2.6
230.14531	2.4
231.17621	2.9
241.14378	24.3
247.16966	8.1
251.84082	2.8
255.09683	4.6
255.12300	86.9
256.12546	3.3
257.18927	7.4
269.17380	12.1
275.20038	24.2
283.15372	65.7
287.51083	2.7
321.20532	10.7
339.21573	3.9
349.23746	18.8
405.83328	2.3
409.21951	5.8
425.21851	6.0
435.23767	21.6
449.25345	100.0
450.25650	11.1
501.31607	3.1
529.31586	32.7
530.31635	6.3
547.32257	12.0
569.70081	2.7
593.29620	2.9
642.75159	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	744.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	7.3
55.01868	17.3
55.05512	38.3
57.03432	22.7
57.07077	3.3
59.04999	5.5
61.02922	14.2
65.03935	5.4
67.05507	62.1
69.03436	10.9
69.07069	28.5
71.01345	4.1
71.04992	11.6
73.02921	7.3
74.43082	1.7
77.03932	3.6
79.00986	2.1
79.05492	81.0
80.05834	3.1
81.03419	29.4
81.07056	68.7
82.07395	4.2
83.01325	10.0
83.04981	23.4
83.08617	20.5
85.02912	18.3
85.06550	7.4
86.09702	2.7
91.03947	4.6
91.05481	100.0
92.05811	2.4
93.07044	78.6
95.04973	23.2
95.08606	50.6
96.08945	4.2
97.02905	13.0
97.06541	15.1
97.10176	6.4
98.22644	5.9
99.04456	5.3
99.08088	8.9
103.05492	2.8
105.07034	78.9
106.07357	2.5
107.04949	17.6
107.08595	42.2
109.02843	3.3
109.06527	14.3
109.10172	14.4
111.04463	5.4
111.08089	5.7
115.05420	2.9
117.07021	41.6
119.08581	57.9
121.06543	8.6
121.10143	37.6
123.08081	22.0
124.08399	2.8
125.06017	2.3
125.09654	6.8
127.03928	4.9
128.06245	5.6
129.05484	7.5
129.06998	18.7
130.07874	2.7
131.08572	32.7
133.06480	4.0
133.10132	69.8
134.10458	2.5
135.08051	18.8
135.11690	24.6
137.09628	6.1
139.11215	5.2
141.07021	4.8
143.08575	15.9
145.06448	3.4
145.10120	42.7
147.08070	7.2
147.11687	37.0
149.09630	24.6
149.13197	2.7
151.07552	4.3
151.11209	5.9
153.12796	3.5
155.08572	6.3
156.09349	2.4
157.10167	18.2
159.08087	2.2
159.10536	1.8
159.11624	9.3
161.09654	4.7
161.13310	5.3
163.11185	32.1
164.11578	3.2
165.09090	3.0
167.10672	4.1
169.10176	5.5
171.11691	23.2
173.09676	6.9
173.13290	5.3
175.11298	3.5
181.12260	8.3
183.11652	4.3
184.07384	7.3
185.13243	10.3
187.11217	2.5
187.14841	6.3
189.11188	4.1
189.12744	2.4
189.16408	5.0
191.10754	4.5
201.16405	7.8
203.14287	2.3
203.17886	10.2
209.11647	10.3
211.14926	5.4
213.16380	30.9
214.16798	2.7
215.18141	2.0
225.11241	13.3
225.91438	2.4
226.11652	7.6
227.12894	12.1
229.15842	11.3
231.17422	46.9
232.17793	2.7
241.14388	7.3
245.15430	2.2
247.16867	12.5
253.14261	3.0
265.17850	3.0
267.01462	2.2
269.19046	3.2
283.15390	78.9
284.15738	7.0
287.19940	2.4
305.21109	20.1
321.20670	5.7
339.21667	3.7
353.15640	2.1
421.27054	2.7
449.25201	19.7
495.31042	2.4
513.31964	25.7
514.32068	4.2
529.30896	2.2
531.33032	2.6
547.32507	8.3
744.35742	7.9
745.34778	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	744.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82669	1.0
53.03945	7.3
55.01870	18.3
55.05235	1.6
55.05510	32.2
57.03436	25.5
57.07071	3.1
59.04998	2.4
61.02920	9.7
65.03941	5.7
67.05504	80.0
68.05847	3.0
69.03433	9.7
69.07067	36.5
71.01343	3.8
71.04994	9.5
71.08619	3.9
73.02909	3.9
77.03912	1.4
79.05491	99.7
80.05824	3.0
81.03421	26.2
81.07055	83.6
81.89439	1.1
82.03716	1.4
82.07396	2.7
83.01337	7.4
83.04986	22.3
83.08616	21.5
85.02909	11.9
85.06548	7.3
86.09705	3.2
91.03957	3.3
91.05479	86.3
93.07040	100.0
94.07381	2.2
95.04972	18.9
95.08605	38.3
97.02895	8.5
97.06525	21.7
97.10161	17.6
98.22459	2.4
99.04467	5.0
99.08101	9.2
103.05488	4.2
105.04525	2.6
105.07030	63.5
106.07381	1.9
107.04968	16.2
107.08591	62.8
108.08936	1.6
109.02876	3.3
109.06522	12.4
109.10163	15.5
111.04447	3.7
111.08089	7.2
115.05458	4.4
117.07014	30.5
119.08582	52.6
120.08879	2.7
121.06517	9.9
121.10138	32.7
123.08077	13.1
123.11696	2.9
125.00011	2.6
125.05972	1.7
125.09618	9.0
127.03934	3.9
127.07559	3.3
128.06215	4.2
129.05537	2.6
129.06995	18.9
130.07787	3.0
131.08569	29.3
132.08904	1.5
133.06480	2.4
133.10130	49.4
134.10493	2.9
135.08049	14.4
135.11687	49.7
136.12030	1.6
137.09610	7.5
139.07542	2.0
139.11116	1.1
141.06985	2.4
142.07780	1.6
143.07019	2.7
143.08548	12.5
143.49802	1.4
145.06442	2.0
145.10110	36.2
146.10428	1.5
147.08054	3.3
147.11685	28.7
148.12086	1.6
149.09612	18.9
149.13277	5.1
151.07556	1.6
151.11180	4.7
153.12741	4.3
155.08545	5.3
157.10126	11.4
159.11697	12.5
161.09616	5.1
161.13246	6.1
163.07527	1.9
163.11176	26.1
164.11571	2.6
165.09100	2.9
165.12741	1.3
167.10687	2.6
169.10121	5.2
171.11681	18.2
173.09682	3.0
173.11835	2.2
173.13255	9.5
174.13654	1.3
175.11232	3.1
175.14816	2.2
177.09142	1.3
177.12769	2.1
179.14288	1.8
181.12242	11.5
183.11714	3.5
184.07353	9.0
185.13300	7.3
186.10269	1.2
187.11179	3.4
187.14799	4.0
189.11206	3.9
189.12747	2.3
189.16333	2.9
190.16734	1.5
191.10587	2.8
195.11887	1.5
195.13846	3.5
197.13263	1.9
199.09612	5.7
199.13240	2.0
199.14885	1.8
199.44392	1.5
201.11241	3.2
201.16418	3.6
203.14572	1.5
203.17969	6.7
207.13736	2.0
209.11725	6.8
211.14813	3.3
213.16406	20.4
215.18083	1.1
217.15849	1.6
219.17365	2.1
225.11176	2.3
226.11671	1.6
227.12744	15.3
229.15874	5.5
229.19612	1.6
231.17441	28.5
232.17894	1.8
239.17986	3.7
241.14227	1.3
247.16965	6.4
253.14345	1.5
255.12315	4.0
255.15909	46.5
256.16345	1.7
257.19107	7.4
259.20715	1.7
265.17984	1.7
269.17505	5.4
275.20023	20.9
276.20499	2.0
283.15399	46.2
284.15759	4.3
287.20050	1.6
291.19479	1.6
293.17441	1.1
293.21072	2.9
305.21109	10.6
311.14862	2.7
321.20694	3.8
323.22287	1.6
331.22440	1.3
339.21588	2.0
349.23737	12.0
409.22125	4.4
421.27295	2.0
425.25256	3.9
435.27426	11.8
447.27563	1.8
449.29031	46.9
450.29095	3.8
489.32040	4.3
495.31097	1.8
513.32074	15.0
514.31702	1.5
529.35461	23.4
530.34998	4.0
531.32886	1.8
547.32904	4.8
593.33612	1.5
610.77991	1.5
640.33093	1.5
745.37164	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	744.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.7
55.01870	9.5
55.05513	26.7
55.05762	2.3
57.03440	15.0
57.07069	4.3
58.06590	2.5
59.05008	4.4
61.02926	5.1
62.06921	1.7
65.03942	3.8
67.05506	69.8
69.03432	5.3
69.07072	13.6
71.01371	4.0
71.04990	7.6
71.62246	1.6
73.02916	3.6
77.03919	1.9
79.05495	81.2
81.03422	32.2
81.03873	3.1
81.07058	57.4
82.65591	1.7
83.01328	2.5
83.04990	15.1
83.08598	12.6
85.02908	12.3
85.06538	4.4
86.09705	11.9
91.03938	2.1
91.05484	42.2
93.07049	81.2
94.07375	2.0
95.04971	15.0
95.08604	39.5
95.09168	2.8
97.02885	11.2
97.06522	12.5
97.10181	3.5
98.98470	1.8
99.04436	2.2
99.08107	3.0
104.10615	1.5
105.07038	24.1
107.04963	18.6
107.08593	31.6
109.06522	7.6
109.10153	20.9
111.04446	22.3
111.08079	4.9
113.05968	2.0
115.05437	2.1
117.07011	18.8
119.08594	22.4
121.06512	6.3
121.10140	37.4
122.10472	1.8
123.08050	8.2
123.11724	4.8
125.00001	7.7
125.06003	5.3
125.09652	5.3
129.07040	5.5
131.08554	16.0
132.08966	2.4
133.10143	11.9
135.08076	6.6
135.11708	30.7
137.09633	5.2
139.11263	2.3
143.08577	4.0
145.06490	2.3
145.10126	30.6
147.08078	5.7
147.11702	7.2
149.09627	4.4
149.13301	5.2
153.12761	7.4
155.08569	3.1
157.10164	2.0
159.11722	7.1
161.09688	2.2
163.07602	2.0
163.11191	30.2
169.10144	1.9
171.11723	2.5
173.09660	5.7
173.13326	5.4
177.12834	1.7
181.12262	5.1
184.07362	36.4
184.08937	2.7
191.10609	7.9
193.12320	1.7
195.13695	1.6
209.11716	12.9
215.17955	12.2
223.13295	14.7
227.12714	10.1
233.19029	11.3
236.14949	2.7
241.14331	24.6
265.14420	6.3
267.15930	1.8
271.20581	1.7
283.15332	17.2
289.21664	2.2
307.22672	100.0
308.22989	5.2
315.18011	39.8
316.18475	3.3
332.46768	1.6
335.25882	2.2
401.42813	1.5
423.28839	3.2
497.32526	6.8
515.33685	60.0
516.34131	4.7
529.34796	2.7
547.36279	90.1
548.36426	11.4
571.10797	1.8
599.18951	1.9
612.90015	2.0
680.23364	2.0
712.27057	3.1
744.29681	3.9
744.44159	2.9
745.40259	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	744.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
55.01670	0.6
55.01877	5.7
55.05516	21.6
57.03201	0.9
57.03444	11.8
57.07084	6.7
59.04989	1.5
59.76109	0.6
61.02935	3.6
65.03922	0.8
67.05508	19.7
69.03426	1.8
69.07070	20.9
69.61647	0.6
69.66647	3.1
70.91261	0.6
71.01360	0.8
71.05000	3.5
71.08643	3.6
73.02887	0.7
79.05013	0.7
79.05488	14.0
79.05916	1.2
81.03418	5.9
81.06583	1.4
81.07059	23.1
83.01340	6.0
83.04981	7.9
83.08623	21.3
85.02917	5.5
85.06565	1.1
85.10181	2.0
91.03954	1.9
91.05487	9.4
93.07044	22.0
95.04974	3.9
95.08610	19.6
97.02910	3.7
97.06541	3.5
97.10167	9.7
99.04444	2.0
99.08057	0.9
103.05482	0.6
105.07030	5.5
107.04968	3.8
107.08597	11.3
109.06494	5.1
109.10155	6.4
111.04420	1.9
111.08078	2.6
111.11716	2.1
114.18885	0.6
117.07016	4.1
119.08564	5.0
121.06499	1.9
121.10152	11.2
123.08080	6.5
123.11711	1.9
125.05991	1.2
125.09615	1.7
130.07721	0.9
131.08553	1.9
133.10162	0.9
135.08086	1.4
135.11693	10.7
137.09615	1.4
145.10127	10.3
147.08112	1.0
149.13295	1.4
153.12741	2.5
155.08557	1.1
163.11186	15.2
173.09656	2.4
181.12227	3.1
191.10707	1.4
209.11705	6.1
227.12778	3.7
255.79625	0.7
265.25217	1.7
283.15405	100.0
284.15665	7.6
339.28937	72.9
340.29337	6.3
428.76248	0.7
466.02893	0.8
547.39941	47.3
548.40344	7.0
758.18536	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.01872	6.7
55.05515	29.8
56.05844	1.0
57.03442	15.3
57.06844	0.7
57.07081	9.1
59.05002	1.2
61.02922	4.8
65.03927	1.5
67.05508	26.0
69.03424	1.5
69.07070	29.5
71.01357	1.5
71.05003	4.7
71.08636	3.8
73.02901	1.4
77.32858	0.8
79.05492	19.4
81.03413	8.9
81.07059	31.5
82.07380	0.7
83.01342	6.6
83.04987	10.3
83.08620	25.6
85.02908	8.9
85.06539	1.2
85.10169	2.2
89.20092	0.7
91.03942	1.6
91.05481	11.1
93.06478	1.6
93.07047	25.9
95.04982	6.0
95.08612	21.8
97.02893	4.0
97.06531	4.6
97.10165	12.4
98.23386	1.2
99.04453	2.3
99.08090	0.9
103.05408	0.9
105.04503	0.8
105.07005	6.1
107.04976	6.2
107.08604	13.7
109.06525	4.8
109.10158	9.5
111.04427	3.0
111.08070	2.7
111.11690	3.9
113.69164	0.7
115.05389	0.8
117.02705	0.7
117.07034	5.5
119.08570	8.0
119.44341	0.8
121.06505	1.8
121.10139	15.4
123.08059	6.5
123.11710	2.1
123.83268	0.7
125.02352	0.7
125.06020	1.1
125.09661	3.4
129.07002	1.3
131.08559	2.4
133.10159	1.9
135.08073	1.7
135.11691	15.3
139.11205	1.2
145.10117	12.1
147.08032	1.8
149.09642	1.0
149.13268	2.8
151.14771	0.9
153.12741	3.5
155.08540	1.6
163.11200	19.8
163.14867	1.3
164.11415	0.9
173.09642	2.7
177.16322	0.8
181.12204	2.2
184.07362	2.1
185.13293	0.8
191.10672	2.5
209.11670	6.5
227.12776	4.6
236.14842	0.8
245.22575	0.8
247.24249	2.1
265.25256	2.7
271.05450	0.8
283.15399	100.0
284.15665	5.5
330.26794	0.7
339.28931	97.4
340.29297	10.1
472.41309	0.8
547.39923	88.2
548.40283	13.8
573.37219	1.5
583.43573	1.4
688.74042	0.8
689.47601	0.7
744.53485	0.9
745.40625	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.01868	2.5
55.05511	15.9
57.03442	8.3
57.07086	3.5
58.06606	1.3
59.04994	1.8
61.02925	3.9
65.03941	2.3
67.05505	100.0
68.05843	0.9
69.03427	4.2
69.07066	14.3
69.95991	2.6
71.04996	20.0
71.07405	0.9
71.08641	1.5
73.02919	0.9
75.80746	0.6
77.03825	0.7
79.05495	36.3
80.05825	1.3
81.03429	3.3
81.07057	44.4
82.07407	1.4
83.04993	5.3
83.08637	8.7
85.02901	3.7
85.06546	3.7
85.10167	1.0
86.09724	2.7
87.04457	1.1
91.05480	26.3
92.05822	1.3
93.07044	42.6
94.07380	2.0
95.04974	5.7
95.08606	31.4
96.09029	0.7
97.02908	2.2
97.06544	5.0
97.10172	5.1
99.08095	1.8
105.04544	1.1
105.07032	12.3
107.05019	1.1
107.08594	20.8
107.09282	1.2
109.06527	2.4
109.10155	62.2
110.10516	2.9
111.04498	1.1
111.08051	3.5
115.05459	1.0
117.07030	5.3
119.06067	1.0
119.08574	20.3
121.06539	1.4
121.10139	17.9
123.08076	1.5
123.11723	3.8
124.26219	0.9
125.09646	3.9
129.05606	1.0
129.06990	2.2
130.89188	0.7
131.08571	7.8
133.10133	9.6
135.08020	1.3
135.11685	15.3
136.12068	0.9
137.09618	9.5
139.11252	1.5
143.08543	1.6
145.10127	8.5
146.10576	0.8
147.11687	4.7
149.09714	0.7
149.13239	4.2
151.11183	1.1
155.08588	1.0
155.10672	2.3
157.10152	1.7
159.11694	3.8
161.13303	3.4
163.11125	3.5
163.14803	1.5
165.12794	0.9
169.10059	1.6
169.12250	1.3
171.11725	1.4
173.11774	6.5
173.13318	3.7
175.14830	1.4
181.12308	2.1
184.07356	2.6
187.13249	1.7
187.14854	1.3
189.11259	1.6
189.16391	0.8
193.12311	1.0
199.14857	1.7
211.13330	1.4
212.87993	0.8
213.14856	2.8
227.12833	3.3
229.14415	1.2
236.15050	4.1
241.19620	0.9
243.15941	2.6
243.21140	0.9
245.13870	2.1
255.15878	4.8
259.20624	1.8
261.22141	3.9
283.15445	2.9
285.17065	3.1
287.18536	23.9
288.18945	1.2
313.27478	2.3
313.83279	0.7
317.24683	1.1
335.25769	23.9
336.26282	1.9
337.27390	2.2
339.28790	1.0
366.35782	0.8
379.29950	1.2
397.31042	2.6
423.32715	0.9
471.34641	4.1
483.36887	2.1
489.35742	97.2
490.36115	11.7
497.36179	0.9
503.37280	4.2
515.37268	13.7
516.37189	1.6
547.39923	69.3
548.40363	8.3
573.37482	1.8
582.42969	1.1
657.37964	1.7
685.33624	2.6
744.43933	1.9
745.41071	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	744.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.7
53.96861	1.8
55.01890	4.2
55.05512	28.7
57.03446	15.3
57.07077	8.8
58.06606	12.7
59.05025	2.3
59.07383	3.1
60.08173	3.1
61.02928	8.2
65.03947	4.1
67.05508	58.4
69.03432	8.1
69.07076	22.8
71.05003	7.3
71.08640	5.1
73.02923	7.1
79.05502	36.8
81.03421	39.2
81.07065	56.0
82.07398	2.8
83.04987	10.8
83.08624	25.0
85.02904	25.4
85.03362	1.9
85.06570	2.3
86.09699	9.7
91.03961	5.5
91.05487	31.6
93.07052	28.7
95.04980	17.5
95.08612	39.9
97.02907	9.9
97.06554	6.8
97.10175	12.4
98.23352	7.0
101.02374	2.4
105.07036	21.0
107.04967	6.5
107.08601	17.8
109.06539	5.7
109.10167	18.2
111.08112	6.3
112.12735	2.0
113.06084	2.6
114.49951	1.8
117.07007	5.1
119.08603	23.1
121.06567	2.2
121.10157	12.6
122.64919	1.9
123.08087	2.7
123.11732	5.9
125.00034	4.5
125.09646	7.9
125.10469	2.0
129.07008	8.2
131.08568	9.5
133.10120	14.8
134.58537	1.9
135.11713	6.7
137.09717	3.6
141.58670	1.7
142.07848	2.3
143.08600	2.6
144.10214	4.4
145.10081	4.9
147.11646	11.0
149.09706	5.8
149.13277	2.2
157.10138	8.1
159.11757	2.2
161.13301	2.6
163.11229	5.3
165.12747	2.2
175.11240	8.1
184.07326	26.0
189.11264	2.8
193.12250	32.9
211.13304	48.3
212.13705	2.4
227.12852	6.8
229.14351	2.8
236.14912	24.4
245.13885	5.8
263.23804	3.3
265.13278	2.9
267.15997	10.7
283.15356	2.4
285.16977	54.9
287.18683	3.1
313.27386	8.1
335.25909	4.5
337.27383	48.8
338.27853	3.8
467.18884	9.4
474.38470	2.5
483.36923	4.2
489.35950	6.4
519.29126	6.7
529.38745	5.8
547.39923	65.7
548.40283	11.7
654.49121	8.0
708.52563	2.7
726.47900	2.6
744.44843	12.3
745.41254	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	745.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
55.01885	0.9
55.05507	1.3
57.03438	2.2
57.48720	0.4
61.02927	5.4
64.98080	0.4
67.05507	4.4
69.03429	2.9
69.07075	0.8
71.01366	0.5
71.04985	0.7
73.02915	3.8
74.64567	0.3
75.04456	0.3
79.05499	3.7
81.03404	1.9
81.07055	4.2
81.82812	0.3
82.65403	0.3
83.01336	0.5
83.04976	0.7
83.08636	0.8
85.02901	5.6
85.38838	0.4
86.09763	0.4
87.04481	0.4
91.03950	3.5
91.05482	2.6
93.07050	4.5
95.04980	0.4
95.08605	3.5
97.02891	4.3
97.06550	0.3
99.04459	1.1
101.02389	1.7
105.07056	1.3
107.08565	2.1
109.02859	0.8
109.10172	1.3
114.94112	0.3
115.03967	0.4
117.07060	0.5
119.08606	1.3
121.10156	2.4
124.34369	0.3
127.03895	1.7
131.08629	0.6
133.10152	0.6
135.11740	1.1
143.46812	0.3
145.10170	1.1
163.11249	1.0
173.13258	0.4
184.07430	0.7
185.04256	0.4
198.04291	0.4
203.05359	0.5
223.19174	0.3
243.08446	2.4
249.10977	0.7
288.64453	0.3
335.25800	0.8
467.18945	4.0
497.31577	0.5
519.29279	9.8
520.29877	1.3
586.52039	0.4
668.25775	0.4
735.60107	0.4
745.41278	100.0
746.41626	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	745.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.7
55.01863	0.8
55.03989	0.3
55.05507	1.5
57.03439	1.3
61.02925	4.3
62.62216	0.3
65.94353	0.4
66.26848	0.4
67.05508	4.2
69.00581	0.6
69.00980	2.4
69.03429	3.3
69.07068	1.3
69.79282	0.4
71.01373	0.5
71.04984	0.6
73.02919	3.3
75.85256	0.3
79.05495	3.5
81.03417	1.9
81.07059	3.2
83.04977	1.0
83.08623	0.6
85.02909	4.1
85.86586	0.4
91.03941	2.2
91.05489	2.3
92.05228	0.4
93.07058	3.4
95.08616	2.8
97.02886	4.3
99.04463	0.8
101.02358	1.8
103.03938	0.5
105.07059	1.4
107.04968	0.5
107.08607	1.3
109.02894	0.8
109.10158	1.0
111.04449	0.4
117.07055	0.5
119.08584	0.9
119.76814	0.4
121.10153	1.1
127.03925	1.3
131.08586	0.7
135.07962	0.4
135.11691	1.1
145.10098	0.9
163.11168	2.2
185.04179	0.5
243.08456	0.8
283.15469	0.5
305.13858	0.4
323.50452	0.4
467.18866	8.7
468.19708	0.6
491.39142	0.4
519.29297	5.4
520.29639	0.6
548.40399	0.8
745.41290	100.0
746.41650	16.7
746.55450	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.8
55.01869	16.6
55.05510	36.9
57.03439	33.9
57.07068	2.9
58.03791	1.1
59.05002	3.5
61.02935	7.2
62.60865	1.1
64.09941	1.2
65.03944	2.6
66.04775	1.1
67.05505	48.6
67.88681	1.1
69.03436	17.2
69.07070	18.5
69.78796	1.0
70.13736	1.2
71.01362	4.5
71.04987	8.6
71.08630	15.9
71.64636	1.2
73.02922	5.1
77.03944	1.8
79.05493	83.5
81.03420	37.1
81.07056	59.5
83.01333	11.0
83.03620	1.5
83.04019	2.3
83.04978	27.6
83.08620	27.8
85.02905	16.5
85.06557	4.9
86.29396	1.2
91.03960	4.6
91.05481	59.9
92.05817	3.4
93.07042	80.2
94.07375	2.5
95.04962	21.8
95.08601	29.7
95.09166	2.2
97.02887	13.6
97.06531	13.6
97.10170	4.5
99.04475	5.4
99.07436	2.1
99.08076	16.3
101.02406	1.6
103.05484	1.9
105.04485	2.2
105.07031	37.6
106.07383	1.7
107.04951	17.7
107.08588	30.1
107.24488	1.2
109.02888	4.3
109.06521	13.6
109.10158	8.2
111.04446	7.1
111.08094	7.7
115.03968	1.5
115.05460	3.6
117.07018	20.4
119.08578	32.5
121.06533	7.5
121.10144	41.0
122.10449	1.5
123.08067	15.1
123.11663	1.7
125.06006	4.4
125.09650	5.6
127.03938	5.6
128.06223	1.8
129.05499	5.8
129.06998	8.0
130.07803	1.9
131.08572	21.1
133.06462	2.3
133.10136	23.3
134.10506	1.3
135.08057	16.2
135.11687	16.8
137.09639	6.7
139.07564	1.9
139.11171	7.2
143.07086	3.6
143.08508	6.4
145.04962	1.8
145.06483	2.9
145.10112	24.7
147.08063	9.4
147.11697	15.3
148.12057	1.4
149.09610	18.3
149.13232	1.8
151.07500	1.4
151.11182	18.1
153.09082	1.9
153.12755	2.5
155.08531	2.1
157.10130	7.0
159.11703	3.9
161.09639	4.2
161.13240	3.6
163.11183	36.2
163.12508	2.3
165.09160	1.7
165.12779	4.7
167.10684	8.0
169.10161	1.8
171.11696	7.5
173.04572	1.3
173.09669	4.6
173.11804	1.9
175.11188	4.2
181.12221	6.8
183.10181	1.6
184.07347	2.2
185.13283	1.6
189.16414	4.0
191.10675	6.1
193.12277	4.2
197.09711	1.5
199.09673	4.0
201.11179	3.1
203.17963	3.4
209.11710	10.0
211.11404	1.4
211.13306	4.6
213.16356	8.1
227.12738	10.2
228.93564	1.6
231.17444	21.0
232.17752	2.2
239.12752	1.4
241.14322	28.9
241.16618	2.1
245.13626	1.6
249.18497	12.0
255.12199	3.3
262.73209	1.2
265.14203	1.8
267.15833	1.7
267.19510	1.5
283.15402	100.0
284.15842	6.0
285.16965	5.1
303.07086	1.4
305.21140	4.7
311.14807	3.7
323.22217	21.6
381.22604	3.9
385.18655	2.5
409.22345	9.4
431.24292	2.4
433.25754	2.6
449.25320	96.1
450.25635	9.6
451.26611	1.4
467.18716	2.6
497.32697	1.6
513.32007	3.4
515.33423	1.9
531.33136	20.4
532.33563	3.0
549.33868	3.0
593.29272	3.0
746.34998	5.6
747.35657	52.6
750.18884	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.1
55.01873	12.9
55.05514	35.0
57.03440	22.2
57.07082	10.6
59.05006	2.2
61.02929	11.8
63.52518	1.5
65.03944	4.7
67.05505	66.2
68.05833	1.8
69.03429	15.1
69.07072	16.0
69.37043	9.1
71.01354	5.0
71.04979	9.1
71.08628	10.3
73.02919	5.8
79.05495	100.0
79.23029	1.4
80.05829	2.2
81.03423	27.8
81.07059	62.3
82.07410	3.0
83.01362	7.7
83.04984	22.4
83.08614	18.7
85.02908	16.4
85.06538	11.1
86.09750	1.7
91.03972	4.9
91.05482	64.1
92.05785	4.4
93.07044	99.0
94.07365	2.9
95.04974	20.6
95.08607	33.5
96.05309	1.8
96.08926	2.0
97.02885	16.6
97.06536	9.5
97.10171	7.7
98.22628	2.6
99.04459	7.4
99.08070	12.4
103.05460	2.5
105.04525	3.4
105.07034	35.7
107.04955	10.8
107.08592	42.3
107.09286	2.6
109.02887	2.2
109.06561	9.2
109.10152	15.3
111.04478	3.3
111.08084	3.5
113.06060	1.8
114.05278	1.4
115.05463	2.7
117.07006	20.6
119.08578	24.4
121.06511	7.5
121.10149	44.3
123.08077	10.2
123.11694	5.3
125.09621	10.8
127.03905	7.6
129.05493	7.4
129.07001	6.9
131.08571	24.8
133.06540	2.8
133.10129	19.4
135.08083	10.8
135.11703	38.9
137.09587	8.6
137.95218	1.7
139.07512	1.8
139.11137	3.7
141.06895	1.6
143.08572	3.3
145.04991	3.0
145.06424	1.8
145.10126	24.3
147.08081	5.9
147.11703	10.7
149.02347	3.4
149.09633	19.2
149.13257	17.9
151.11191	10.8
153.12772	4.8
155.08536	2.4
157.10167	4.7
159.11676	12.6
161.09682	3.0
161.13303	4.5
163.11209	19.9
163.14890	2.0
164.11525	2.4
165.12761	2.3
167.10672	5.2
169.10159	1.6
171.10251	2.0
171.11731	4.7
173.09669	4.3
173.11832	2.5
173.13217	9.8
175.11224	2.1
175.14787	2.2
181.12215	4.8
183.11737	1.5
184.07355	5.5
184.38516	1.6
185.13448	1.5
187.14867	3.4
189.11232	3.7
189.12733	1.8
189.16475	4.6
191.10710	3.3
203.18004	3.1
205.19566	4.0
209.11789	8.4
213.16418	2.9
215.17943	22.4
216.18298	2.4
225.11226	2.1
227.12778	12.5
231.17593	8.2
233.18985	32.0
241.14307	7.6
249.18570	4.3
253.14314	2.6
271.20605	6.5
283.15411	66.1
284.15735	3.8
289.21677	3.1
299.14755	7.5
307.22687	30.5
308.23019	2.4
323.22223	4.1
395.29596	1.9
405.27975	3.2
423.28912	5.1
437.18076	2.8
438.18262	3.2
441.30154	3.5
449.25150	22.4
450.25864	3.7
497.32736	6.1
515.33667	52.3
516.34137	6.2
531.33179	5.9
533.35016	4.6
549.34308	2.2
590.21307	1.9
596.25610	2.1
604.23401	1.9
650.23157	2.7
651.24023	2.1
654.26917	2.0
682.25745	21.5
683.26318	3.4
728.46240	1.6
746.37988	80.7
747.37714	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	746.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.8
55.01865	6.5
55.05513	25.8
57.03434	15.1
57.07077	21.1
58.06594	2.2
59.04996	2.7
60.08156	3.7
61.02921	6.0
65.03933	4.0
67.05506	76.8
68.05828	1.5
69.03419	3.9
69.06736	2.2
69.07076	29.4
71.01347	2.7
71.04998	8.7
71.07368	1.7
71.08631	14.3
73.02923	3.6
73.06548	3.7
75.02092	1.5
77.64278	1.4
79.05494	39.4
80.05779	1.4
81.03420	26.9
81.07057	83.4
82.07391	2.0
83.01336	3.5
83.04977	15.5
83.08613	20.9
84.15130	1.4
85.02911	11.2
85.06526	5.1
85.10162	7.7
86.09709	14.0
87.04453	4.1
89.06031	29.1
91.03962	1.4
91.05480	33.1
93.07047	40.8
94.07371	1.8
95.04971	10.9
95.08607	46.7
96.08961	1.3
97.02903	10.8
97.06529	11.9
97.10147	8.3
98.98432	1.7
99.04423	4.1
99.08092	6.5
99.11694	1.5
105.07041	15.7
107.04948	15.7
107.08594	21.4
108.08932	2.2
109.02853	1.9
109.06508	9.7
109.10161	16.7
111.04443	25.5
111.08054	5.0
111.11729	1.7
113.06025	1.8
113.09673	1.4
113.13320	1.6
117.07017	11.5
117.09126	1.7
119.08582	19.9
121.06558	7.0
121.10148	19.0
122.00418	1.7
123.08045	7.9
123.11694	10.0
124.99992	9.5
125.05969	6.7
125.09634	4.9
127.03931	1.9
129.05402	1.4
129.07016	4.6
130.07806	2.1
131.04984	1.7
131.08546	10.5
133.06618	1.5
133.08611	20.5
133.10115	12.5
135.08046	4.7
135.11691	22.4
137.09599	4.3
137.13248	3.3
139.07518	1.9
143.08511	2.3
145.06516	1.9
145.10127	22.0
147.08041	5.3
147.11676	6.3
149.09630	2.9
153.12772	9.7
155.08542	3.7
161.13223	5.6
163.11189	27.6
173.09634	6.0
175.11195	1.7
175.14844	2.0
177.11234	6.0
181.12247	5.3
184.07338	46.8
191.10637	6.7
195.13771	1.9
209.11702	11.6
215.17940	2.0
217.19519	6.1
221.13756	2.2
223.13293	19.2
227.12785	10.6
231.04955	1.6
233.18980	2.4
235.20500	9.8
236.14919	6.0
241.12102	2.4
241.14368	28.4
257.13815	1.7
265.14304	10.4
273.22211	2.1
283.15387	30.0
283.18323	2.4
284.15689	2.6
297.16837	2.2
309.24228	100.0
310.24442	8.1
315.18039	45.4
315.28705	2.0
316.18533	2.9
335.25623	1.7
353.15823	1.7
375.35236	1.3
407.29642	1.5
423.20364	1.5
425.30518	2.9
443.31732	1.7
447.60516	1.4
499.34210	9.7
500.34286	2.1
517.35236	62.5
518.35864	9.5
531.36646	2.0
549.37872	97.2
550.38208	14.6
596.81384	1.7
729.53088	1.9
746.41479	16.7
747.42700	23.3
767.06000	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.4
53.75116	1.3
55.01872	4.5
55.05510	25.3
57.03442	21.8
57.07083	3.6
58.06609	1.4
61.02919	2.9
65.03934	3.7
67.05504	68.9
69.03435	5.1
69.07067	14.2
69.27800	9.3
71.01353	1.4
71.04996	5.0
71.08622	2.1
75.95476	1.4
79.05494	67.8
80.05806	1.7
81.03419	88.9
81.07055	65.5
83.04958	9.3
83.08619	22.2
85.02916	3.2
85.06551	4.6
86.09715	6.2
91.05478	44.9
92.05797	1.6
93.07045	67.8
94.07367	1.7
95.04975	33.9
95.08607	38.8
96.05295	1.8
97.02876	3.7
97.06517	4.6
97.10183	7.0
99.08093	3.8
105.04494	1.6
105.07029	33.4
107.04967	8.1
107.08597	29.4
109.06545	6.8
109.10166	21.0
111.04474	3.6
111.08051	6.9
115.05469	1.7
117.07007	11.8
119.05013	1.9
119.08579	27.0
121.06519	4.4
121.10146	34.9
122.10489	1.5
123.04459	2.2
123.08086	4.7
123.11678	6.6
124.17061	1.5
125.00021	4.6
125.09668	6.1
129.07001	10.6
131.08571	23.7
133.06494	3.4
133.10143	21.3
135.08070	4.3
135.11687	23.6
137.09622	3.9
142.07785	2.2
143.08556	4.5
145.10130	16.5
147.08072	5.6
147.11682	18.7
149.08574	1.7
149.09598	7.8
149.13240	11.0
151.11174	2.6
155.08582	1.9
157.10095	12.2
159.11691	11.1
161.09685	2.5
161.13309	4.0
163.11151	4.2
165.12805	2.0
166.51233	1.7
169.10176	2.1
171.11771	3.5
173.11888	1.4
173.13206	7.3
175.11205	10.7
175.14821	2.2
177.12770	2.1
178.55208	1.2
184.07358	23.6
185.13280	3.0
187.11287	2.0
187.14876	2.7
189.11234	4.3
193.12219	22.6
199.14888	1.7
201.16438	1.5
205.19618	2.5
211.13277	1.7
211.99275	1.3
215.17946	24.6
216.18352	1.5
221.15385	1.5
223.13263	2.1
227.12819	3.8
230.58313	1.4
233.19009	24.2
234.19383	1.8
235.13243	2.2
236.14886	1.9
247.16968	2.0
249.14845	2.7
257.18927	2.8
267.15915	100.0
268.16302	6.0
273.22171	4.5
307.22644	78.3
308.23132	8.1
309.16937	2.7
309.24533	1.8
389.23419	1.5
407.24487	2.2
407.29391	4.9
418.45566	1.6
425.30316	6.6
443.31686	2.2
447.27213	1.6
453.21133	1.7
499.34195	46.3
500.34613	6.3
517.35260	36.0
518.35736	4.3
541.35193	4.6
543.71692	1.5
549.37555	2.3
625.37433	1.9
746.47980	3.0
747.42621	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	746.468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.7
55.01873	2.6
55.05512	11.3
57.03438	14.1
60.08155	4.3
61.02919	1.6
64.43060	1.1
65.03942	2.2
65.07195	1.1
67.05506	46.3
69.03434	4.8
69.07068	14.9
69.42325	4.4
69.42735	2.6
71.04990	4.3
71.07378	1.7
79.05064	2.4
79.05495	32.0
81.03419	100.0
81.07063	40.4
82.03734	2.2
83.04980	4.8
83.08624	6.0
85.02901	3.0
85.06562	1.4
86.09711	14.0
91.05482	33.7
93.06472	2.5
93.07045	42.0
95.04968	7.3
95.08613	33.1
96.08917	1.5
97.02926	2.2
97.06539	6.7
98.23405	1.6
99.04483	1.3
105.07037	16.6
107.04949	3.7
107.08598	18.4
109.06506	4.1
109.10149	17.4
113.05990	1.5
117.07031	10.5
119.08585	27.0
121.06509	7.5
121.10148	10.8
123.08059	4.9
123.11716	7.1
125.00031	7.1
129.06999	3.7
131.08563	9.5
133.10136	7.6
135.08089	3.1
135.11687	8.7
137.09625	22.0
137.13213	1.7
143.07001	3.0
143.08617	2.2
143.37022	1.2
145.10112	8.8
147.08060	7.3
147.11693	5.0
149.09636	2.4
149.12140	1.3
149.13255	5.5
151.11259	1.9
155.08638	1.9
157.10147	2.7
159.11723	5.5
161.09732	1.5
161.13298	3.8
163.07512	1.8
163.11208	1.9
165.09108	18.2
166.09525	1.5
167.10643	1.7
169.10197	2.5
171.11739	3.3
173.13283	3.6
175.14764	1.7
177.09097	1.7
184.07346	42.5
199.09650	4.1
205.12167	1.7
213.16266	1.4
215.18172	1.6
219.13823	1.4
236.14925	1.6
239.12787	63.6
240.13159	2.2
243.21130	2.2
261.22122	10.9
271.15417	1.6
281.13843	1.5
301.25381	1.9
317.24756	1.9
335.25793	43.3
336.26044	4.4
389.28210	2.6
393.22824	1.7
401.27097	2.5
407.24362	2.5
407.29419	6.1
425.30334	8.2
443.15677	1.7
481.32974	2.2
499.34152	33.9
500.34348	3.5
517.35138	23.3
518.35608	2.8
531.36462	3.3
549.37830	2.1
687.38055	1.8
746.41412	4.7
747.41797	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	746.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18317	3.6
53.03957	5.3
54.07500	4.1
54.45668	3.7
55.01872	3.9
55.05515	43.5
57.03435	26.3
57.07077	15.5
61.02924	14.8
61.98785	3.6
65.03960	5.8
67.05507	65.8
69.03441	10.0
69.07070	44.3
70.23888	3.7
71.04995	10.8
71.08627	14.8
71.28700	6.2
73.02879	4.3
79.05489	48.1
81.03417	66.2
81.07059	71.9
83.04942	21.5
83.08617	50.7
85.02909	24.5
85.06548	4.4
85.10200	5.3
86.09706	8.6
89.06065	6.7
89.86750	3.4
91.03926	5.0
91.05481	59.8
92.05811	3.9
93.07056	52.3
95.04955	34.0
95.08612	48.6
96.50937	4.0
97.02915	13.6
97.06540	11.0
97.10185	21.1
99.08100	7.6
101.95846	3.6
105.07038	36.7
107.04907	7.1
107.08582	24.1
109.06487	4.9
109.10141	20.5
111.04517	7.8
111.08092	15.6
115.05461	6.2
117.07018	23.9
119.08580	25.1
121.06516	9.1
121.10139	22.6
123.08036	5.2
123.11716	8.5
125.00008	7.8
125.09669	10.2
125.91259	4.1
128.06314	3.6
129.07022	22.8
131.08546	28.2
133.06508	7.8
133.10143	15.2
135.08112	7.3
135.11702	13.8
137.09650	4.2
141.06985	5.9
143.08595	5.1
145.10147	13.3
147.08092	6.3
147.11705	15.3
149.09625	6.3
155.08592	6.6
157.10098	21.9
161.09666	4.7
165.12732	5.0
169.10138	5.6
173.13235	4.3
175.11183	12.4
184.07332	24.5
185.13266	5.3
187.11298	5.0
193.12210	36.6
195.00276	11.5
211.13284	65.0
212.20102	3.9
227.12804	8.3
236.14827	5.3
245.13895	4.0
265.25244	7.3
267.15955	21.9
285.16971	80.3
289.30884	4.4
293.17560	5.9
299.01016	4.0
303.76807	3.9
312.45724	4.2
313.27148	6.4
339.28918	93.2
340.29398	6.9
381.93536	3.8
491.36771	6.8
521.30682	9.2
531.40350	16.8
549.41547	100.0
550.41943	18.4
574.37689	20.6
575.39166	8.7
715.87836	4.4
746.43719	9.1
747.42712	81.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01876	4.1
55.05515	12.2
55.28501	0.7
57.03443	12.8
57.07081	22.9
58.06604	0.9
59.05007	1.8
65.92900	0.7
67.05505	14.2
69.03441	1.5
69.07072	6.9
69.08782	1.6
69.09183	4.5
71.04993	2.7
71.08246	0.8
71.08638	16.8
73.02914	1.6
79.05494	14.5
81.03426	6.1
81.07056	17.7
83.01344	7.4
83.04992	7.0
83.08624	12.8
85.02919	5.5
85.06545	1.1
85.10193	10.6
86.09718	0.8
87.04517	0.7
89.06020	1.6
91.03952	1.2
91.05485	6.9
93.07053	16.1
93.07628	1.1
95.04987	4.0
95.08611	13.9
97.02901	3.7
97.06541	2.7
97.10149	5.8
99.04446	2.4
105.07019	6.1
107.04952	5.1
107.08599	9.6
109.06537	3.7
109.10154	6.6
110.95106	0.7
111.04417	1.8
111.08106	0.8
111.11729	1.0
117.07056	4.2
119.08603	4.5
121.06488	2.5
121.10152	5.2
123.08033	4.2
123.11722	2.7
125.05946	0.8
125.09653	1.6
130.07787	1.0
131.08566	1.5
133.10033	1.3
135.08049	1.8
135.11699	8.0
137.09595	1.4
145.10115	10.8
147.08069	1.3
149.09639	0.9
153.12733	1.2
155.08530	0.9
163.11185	15.5
173.09650	2.3
181.12230	2.1
184.07364	1.3
191.10695	2.0
209.11682	4.7
214.16351	0.8
227.12727	4.1
236.14937	2.0
283.15411	100.0
284.15768	5.6
341.30524	72.4
342.30878	6.2
409.14960	0.7
493.40262	0.9
549.41559	49.9
550.41711	7.1
746.55847	1.9
746.86975	0.8
747.45752	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.3
54.22348	1.7
55.01870	12.2
55.05513	24.2
57.03436	15.8
57.07067	6.1
61.02930	2.7
64.70317	1.6
65.03938	6.9
67.05505	62.5
69.03419	6.6
69.07071	15.0
71.04984	7.4
71.08244	2.2
71.08634	36.5
73.02898	4.3
79.05494	71.9
81.03430	14.8
81.07055	45.8
82.07406	2.6
83.04978	16.9
83.08626	13.0
84.01407	1.9
85.02891	7.5
85.06532	6.2
86.09701	4.5
87.04467	2.8
89.06009	2.1
89.81633	1.9
91.05481	100.0
92.05772	3.3
93.07043	55.7
95.04973	18.8
95.07578	1.7
95.08619	24.5
97.06522	15.7
97.10171	7.4
99.04436	2.5
99.08090	22.7
103.03947	2.8
103.05464	7.4
105.04559	3.0
105.07029	59.4
106.07340	2.1
107.04983	8.9
107.08597	21.7
109.06515	7.2
109.10172	5.9
111.04433	4.6
111.08074	6.4
115.05451	18.4
116.06268	2.3
117.07016	71.8
119.08585	27.2
121.06492	9.5
121.10149	17.4
123.08079	11.3
123.11707	2.3
125.00030	2.4
125.09628	4.8
128.06229	15.0
129.05548	13.4
129.06996	49.7
130.07382	1.9
131.08569	51.3
133.06512	8.7
133.10153	16.6
135.08052	19.8
135.11665	5.0
139.07489	2.8
139.11197	11.8
141.06996	28.9
141.12726	6.3
142.07762	8.0
143.08559	27.5
145.06508	4.5
145.10114	30.0
146.10400	2.1
147.08012	7.3
147.11676	7.5
149.09584	8.5
149.13260	3.2
151.11179	3.4
153.06995	4.2
154.07825	4.7
155.08542	23.0
157.06436	2.1
157.10153	22.9
159.08035	4.8
159.11679	11.1
161.09630	6.4
161.13245	4.6
163.11162	2.7
165.07037	4.3
165.12747	2.1
166.07751	3.2
167.08583	7.2
168.09270	4.3
169.10127	30.6
171.07997	2.8
171.11716	12.5
173.09584	2.7
173.13249	9.1
175.11180	8.9
175.14844	4.5
177.11241	2.2
179.08549	3.4
181.10129	13.1
183.11697	17.2
184.07353	14.9
185.09621	4.4
185.13257	11.6
187.11140	17.7
187.14778	2.7
189.16328	3.0
193.10149	2.7
193.12199	3.3
195.00325	5.5
195.11671	6.8
195.87781	1.9
197.13292	2.6
197.82623	2.0
199.11177	6.0
199.14825	8.0
201.12714	11.7
201.16388	3.6
203.14276	8.5
203.17850	2.4
205.10216	2.1
207.11604	4.2
209.13336	4.5
211.11209	1.8
211.13171	3.1
211.14975	2.6
213.12733	2.4
217.15776	4.5
236.14900	2.1
239.17932	6.4
241.19626	4.0
245.13728	2.3
255.21068	2.5
259.20590	2.3
263.50098	1.8
265.19528	7.6
283.20532	16.6
285.16882	5.1
293.17438	20.2
301.21747	8.7
313.16409	2.0
339.28830	8.3
375.25296	11.6
377.49423	1.9
393.26227	5.3
449.20157	1.8
467.19366	2.1
467.86688	2.3
511.30350	2.0
531.40125	2.0
549.41675	9.5
573.38287	2.6
574.37463	7.4
575.38885	3.9
593.38525	3.6
717.04144	2.1
746.44250	9.2
747.42944	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	747.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01863	1.1
55.05507	1.1
56.98136	0.2
57.03433	1.9
61.02925	4.1
67.05499	3.0
68.05833	0.3
69.03434	3.1
69.07068	3.7
69.42067	0.2
69.75574	1.1
71.01350	0.7
71.04999	0.5
73.02912	3.7
79.05487	4.2
80.05818	0.3
81.03423	3.0
81.07041	3.1
83.01342	0.5
83.08624	0.6
85.02905	4.6
87.04494	0.3
91.03946	2.2
91.04350	0.2
91.05476	3.7
92.05775	0.3
93.07039	3.4
93.07564	0.4
95.04980	1.0
95.08595	2.3
97.02885	4.1
97.06534	1.0
99.04469	0.6
101.02370	1.6
103.03951	0.4
105.07030	1.8
107.04935	1.3
107.08572	1.9
109.02872	0.8
109.06530	0.8
109.10170	0.5
111.04411	0.3
113.05992	0.3
115.03995	0.3
117.07014	1.4
119.08575	2.1
121.06526	0.5
121.10158	1.6
123.07290	0.3
123.07996	1.3
125.05978	0.5
127.03934	1.1
129.07050	0.5
131.08592	1.1
133.06497	0.3
133.10129	0.7
135.08101	0.8
135.11720	1.0
137.09639	0.5
143.07068	1.1
143.08646	0.6
145.10130	1.2
147.07994	0.6
147.11707	0.3
149.09645	0.7
163.07568	0.3
163.11150	1.9
167.49068	0.3
171.11703	0.3
173.13261	0.3
184.07393	1.0
185.04184	0.6
191.10670	0.4
203.05281	0.4
243.08417	3.2
249.11082	0.3
303.06998	1.1
303.15668	1.0
305.13858	0.3
359.18472	0.6
423.15958	0.4
439.15829	0.4
467.18887	6.3
468.19266	0.4
521.23523	4.7
522.24249	0.5
539.20850	0.4
747.35541	100.0
748.35858	14.3
748.47070	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01873	1.1
55.05512	1.6
57.03442	2.0
61.02927	4.1
65.03961	0.3
67.05507	2.7
69.03429	2.5
69.07067	2.3
69.57726	0.6
69.58132	1.1
71.01366	0.4
71.04997	0.5
73.02914	2.8
74.67458	0.3
79.05495	4.3
79.05912	0.4
81.03432	2.3
81.07051	2.3
82.07393	0.3
83.08620	0.9
85.02911	3.9
91.03949	2.5
91.05478	6.4
91.06013	0.5
93.07040	2.9
95.04978	1.2
95.08588	1.3
97.02887	4.2
97.06538	0.4
97.10176	1.1
98.22673	0.4
99.04447	0.5
101.02379	1.8
105.07051	1.3
105.84497	0.3
107.04962	0.7
107.08601	2.5
109.02842	0.6
109.06551	0.7
109.10179	0.5
111.04418	0.4
115.03976	0.4
115.05461	0.6
117.07015	3.6
119.08589	1.1
121.10173	0.5
125.09637	0.9
127.03944	0.9
129.07050	0.3
131.08621	0.5
133.10161	0.9
135.08054	4.3
145.10216	0.5
147.11728	0.4
157.10129	0.4
163.07614	0.4
163.11143	0.3
184.07396	0.5
185.04352	0.4
203.05266	0.3
221.07758	0.4
223.13333	1.1
243.08362	2.4
255.12367	0.4
257.26080	0.3
291.19595	1.2
303.06924	0.7
331.18933	1.1
411.16162	0.7
425.14328	0.3
439.15704	9.1
440.16245	0.5
549.26788	3.7
747.35590	100.0
748.35876	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	747.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01865	1.6
55.05517	1.9
57.03451	2.0
59.05016	0.3
59.82215	0.3
61.02925	4.4
65.03896	0.3
67.05511	3.7
67.73176	0.3
69.03423	3.9
69.07070	1.3
70.43933	0.7
71.01350	0.5
71.04981	0.7
71.08636	0.5
73.02921	3.8
79.05494	6.2
81.03501	2.7
81.07056	4.2
83.01344	0.6
83.08614	1.0
85.02908	4.7
87.04459	0.4
91.03969	3.0
91.05477	8.8
92.05840	0.4
93.07045	5.0
95.04972	1.5
95.08603	2.8
97.02889	4.6
97.06526	0.8
99.04462	1.2
101.02384	1.4
105.07020	2.9
107.04971	1.5
107.08599	4.0
109.02883	0.8
109.06528	1.4
109.10162	1.1
111.04409	0.4
113.41882	0.3
115.03956	0.4
117.07016	5.1
118.07359	0.4
119.08581	1.9
120.28230	0.3
121.06478	0.4
121.10169	1.0
123.08047	0.7
127.03899	1.4
129.05470	0.6
131.08583	1.4
133.06483	0.4
133.10110	2.3
135.08047	4.3
135.11710	1.0
137.09604	0.8
143.08546	0.5
145.10158	1.2
147.11705	0.4
149.09692	0.4
151.11151	0.7
157.10121	0.4
159.11803	0.5
161.09657	0.5
163.07571	0.6
163.11255	0.5
173.09691	0.3
184.07300	1.1
185.04248	0.7
193.12239	0.7
209.11708	0.4
243.08478	1.8
255.12328	0.9
273.18497	0.4
277.10718	0.5
283.15356	0.8
303.06891	1.1
313.17761	1.2
327.38663	0.4
331.18759	2.8
355.96609	0.3
385.15256	0.3
411.16367	0.6
439.15744	13.2
440.16269	0.8
451.19327	0.7
511.18192	1.0
531.25568	1.7
549.26691	3.1
649.28363	5.0
650.28192	0.5
678.28448	1.0
710.13367	0.4
729.34503	16.3
730.34497	1.9
747.35522	100.0
748.35693	14.8
772.88580	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01871	1.8
55.05503	1.6
57.03432	2.3
61.02933	4.8
67.05500	3.3
69.03429	3.9
69.07029	2.4
69.07327	1.9
69.07727	1.7
71.04979	0.9
73.02915	3.8
79.05487	5.1
80.05836	0.4
81.03461	2.3
81.07059	5.1
83.08617	1.0
85.02896	4.3
86.09675	0.4
91.03960	2.6
91.05479	4.6
93.07045	4.2
95.04977	1.4
95.08614	4.3
97.02879	3.8
97.06520	0.9
99.04449	1.0
101.02362	1.6
105.07020	3.0
107.08609	1.9
109.02865	0.7
109.06549	0.6
109.10150	0.7
115.05437	0.6
117.07008	1.4
117.80869	0.5
119.08599	2.7
121.06516	1.2
121.10139	0.9
123.08094	3.1
127.03922	1.6
129.05594	0.6
129.06932	0.9
131.08595	1.3
133.06551	0.5
133.10147	1.6
135.08017	0.6
135.11650	1.1
137.09627	1.8
143.08464	0.5
145.10133	1.6
147.08031	0.6
147.11678	0.8
149.02393	1.1
149.09668	1.4
151.07587	0.7
163.11205	1.6
165.09143	1.1
176.06772	0.4
184.07338	1.0
185.04218	0.9
202.84647	0.5
243.08276	2.9
245.15454	0.5
249.10983	0.6
271.88397	0.5
285.14761	0.7
303.15805	1.3
305.17551	0.5
341.17126	0.6
373.11057	0.5
404.15817	0.6
423.15961	1.0
439.15411	0.5
465.20923	0.9
467.18881	8.0
468.19208	0.5
503.22678	2.0
507.95474	0.5
521.23621	4.7
523.25275	1.3
649.28400	2.9
678.28937	0.6
729.34619	9.2
730.34662	2.1
747.35468	100.0
748.35760	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	747.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
53.47677	0.4
55.01880	1.4
55.05517	2.3
57.03444	2.5
57.07074	0.5
61.02930	4.3
63.36921	0.4
65.03944	0.9
67.05504	5.9
67.05829	0.5
68.05857	0.5
69.03425	3.1
69.07069	3.1
69.80249	1.0
69.80643	0.7
70.06615	0.6
71.05005	1.1
71.08646	0.7
73.02923	3.6
79.05495	7.0
80.05850	0.4
81.03423	4.0
81.03816	0.4
81.07056	6.7
81.19736	0.4
83.08639	0.7
85.02904	4.2
85.03369	0.5
86.09743	0.8
91.03943	2.5
91.05485	8.0
91.88050	0.4
92.05813	0.5
93.07045	5.4
94.07359	0.4
95.04960	2.1
95.08604	3.3
97.02885	4.2
97.06594	0.8
97.10189	0.5
98.23335	0.6
99.04472	0.9
101.02414	1.5
102.09195	0.6
105.07030	4.3
105.07568	0.4
107.04995	1.5
107.08596	2.9
107.53820	0.4
109.02896	0.9
109.06530	1.0
109.10213	1.2
111.08121	0.5
117.07001	2.4
119.08595	3.0
121.06555	0.7
121.10175	1.8
122.10518	0.6
123.08083	1.5
123.11755	0.5
125.09669	0.4
127.04041	0.6
129.07071	1.1
131.08630	1.5
133.10135	3.0
134.10545	0.6
135.08069	1.1
135.11751	0.8
137.09576	0.5
143.08667	0.7
145.10155	1.2
147.08136	0.5
147.11729	1.3
149.02362	2.3
149.09650	0.5
150.02644	0.5
151.07603	0.6
151.11234	0.8
161.09711	0.5
163.11197	0.9
171.11700	0.8
184.07449	1.6
185.04240	0.7
193.05042	0.9
214.16750	0.6
243.08424	2.3
247.13237	0.7
256.26468	0.8
257.26785	0.6
267.11392	0.5
285.10675	0.4
301.29285	0.7
303.15637	0.8
305.17511	0.6
307.22690	0.4
308.23242	0.5
313.17505	0.5
325.12283	0.5
353.11633	1.2
404.11023	0.7
411.16797	0.5
425.18079	0.6
427.47760	0.4
437.18112	1.3
439.15698	0.7
465.21042	4.2
466.21628	0.6
467.19147	1.6
521.22705	0.6
523.25220	4.6
551.28552	0.6
651.24152	0.5
729.34216	0.9
747.39258	100.0
748.23730	0.7
748.39581	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	747.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.3
55.01878	1.5
55.05519	2.5
56.15936	0.5
57.03437	2.6
61.02934	5.9
65.03947	0.9
67.05513	5.8
69.03429	4.7
69.07088	2.1
71.04998	0.8
71.29323	1.0
73.02925	4.1
79.05495	7.0
81.03423	4.8
81.07053	6.8
83.08630	1.2
85.02905	5.2
85.06554	1.0
86.09688	0.7
91.03961	2.6
91.05482	11.2
91.06004	0.8
92.05871	0.8
93.07041	5.7
94.07403	0.7
95.04996	2.7
95.08614	3.6
97.02896	4.0
97.06568	1.2
99.04460	0.9
101.02412	2.2
103.33328	0.6
105.07042	3.8
106.06630	0.6
107.04984	1.4
107.08606	3.4
107.58147	0.5
109.02900	1.2
109.06552	0.9
109.10217	1.1
117.07064	2.2
119.08607	2.9
121.10197	1.6
123.08104	1.5
125.21321	0.5
127.03947	1.5
128.06339	0.5
129.07060	0.9
131.08589	1.4
133.10123	3.4
134.10541	0.8
135.08112	1.4
135.11742	0.9
137.09657	0.9
145.10176	1.8
147.08069	0.6
147.11714	1.0
149.02408	1.5
149.03511	0.6
149.09683	1.3
151.11247	0.9
157.10254	0.7
161.09642	1.2
163.11290	0.8
165.72217	0.5
179.10857	1.0
184.07425	1.8
185.04216	0.8
193.05139	0.5
212.40173	0.7
219.09979	0.9
243.08427	3.5
253.14299	0.8
271.11197	0.6
283.15604	0.7
301.29608	0.9
333.20383	1.2
437.17825	5.1
453.21640	0.7
465.21347	2.2
521.23633	0.6
523.25519	3.3
551.28510	2.4
613.21960	0.6
649.27948	0.6
729.34894	1.6
747.39209	100.0
748.39447	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.2
55.01870	2.1
55.05508	3.5
57.03432	3.4
61.02929	3.9
61.17590	0.8
65.03935	1.0
65.57011	0.9
67.05505	9.3
69.03423	3.1
69.07062	2.1
69.63238	1.0
71.04977	1.2
71.08620	1.1
71.28648	1.4
73.02922	3.5
75.04491	0.9
79.05492	9.1
81.03426	5.8
81.07064	8.5
83.08621	1.9
85.02911	5.8
91.03960	3.1
91.05488	14.6
93.07055	7.5
95.04988	4.2
95.08602	5.0
97.02911	5.7
97.06528	1.2
97.10191	1.1
97.76378	0.8
99.04459	1.6
101.02383	1.4
103.03970	1.1
105.07043	7.0
107.04977	2.2
107.08566	4.8
109.02950	1.0
109.06531	1.0
109.10146	2.5
117.07034	3.9
118.06590	1.2
119.08601	4.3
121.06522	1.3
121.10188	2.1
123.08076	1.4
125.00050	1.1
127.03907	1.3
129.07008	1.3
131.08582	2.1
133.10150	5.0
135.08066	1.9
135.11778	1.4
143.08578	1.0
145.10101	1.6
147.11719	2.5
149.09711	1.2
151.11176	1.3
161.09641	1.4
163.11221	1.5
166.16325	1.1
167.10648	1.0
171.11678	2.1
184.07396	2.5
185.04332	1.1
219.09959	1.1
241.21936	0.9
243.08501	2.9
247.13071	1.7
253.09863	1.1
275.12604	1.2
277.09854	0.9
425.17285	1.0
437.17841	14.0
438.18292	1.9
465.20905	11.4
499.26581	1.3
523.25110	2.7
594.24567	1.4
596.24744	1.7
631.30670	1.9
649.32001	3.2
651.24054	1.5
661.31921	100.0
662.32269	15.3
665.22168	1.5
683.26758	2.8
697.25049	1.8
701.35425	1.2
729.37689	10.1
730.39258	1.4
737.98572	1.3
747.38922	31.3
748.39484	5.3
775.42383	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
55.01887	0.7
55.05507	1.7
57.03439	1.9
57.07074	0.4
60.08134	0.3
61.02931	6.2
65.03954	0.6
67.05503	5.1
68.98177	2.6
69.03428	3.2
69.07061	1.5
71.01366	0.5
71.04993	0.6
73.02915	4.7
74.23466	0.3
79.05494	3.9
81.03423	2.8
81.07060	5.9
83.08626	1.0
85.02907	6.2
85.06566	0.3
86.09721	1.1
87.04465	0.5
91.03963	3.2
91.05481	2.7
93.07043	4.0
95.04984	1.1
95.08610	3.7
97.02893	4.6
97.06547	0.4
97.10229	0.4
99.04479	0.8
99.08123	0.3
101.02374	1.7
101.92503	0.2
105.07047	1.9
107.04990	0.4
107.08604	1.7
109.02895	0.7
109.06542	0.7
109.10164	1.5
111.08144	0.3
115.03900	0.5
117.07027	0.6
119.08616	1.6
121.10159	1.7
123.11742	0.4
125.00020	0.6
127.03897	1.3
129.07028	0.4
131.08577	0.8
133.10181	0.8
135.11719	1.0
143.08556	0.3
145.04971	0.3
145.10143	0.5
147.08176	0.3
147.11734	0.9
149.13310	0.5
157.10100	0.4
161.13315	0.3
175.11163	0.5
184.07353	3.9
184.08920	0.3
185.04291	0.7
193.12280	0.4
203.05292	0.4
243.08472	1.7
251.12622	1.1
261.22284	0.4
267.16043	0.6
309.24411	0.8
335.25891	0.7
469.20499	3.3
501.35699	0.4
519.29382	8.8
519.36823	0.7
520.30072	0.9
550.38281	0.4
566.13220	0.3
638.46240	0.3
736.36804	0.4
747.42822	100.0
748.43195	15.6
748.57074	0.5
773.41632	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.7
55.05506	1.2
57.03442	2.3
57.07066	0.9
60.08156	0.9
61.02927	4.2
65.03946	0.4
67.05505	4.7
68.05825	0.4
69.03436	2.8
69.05236	1.7
69.05663	2.3
69.07063	1.8
71.01336	0.6
71.05002	0.8
71.07342	0.5
71.08645	0.5
73.02917	4.2
75.75203	0.4
79.05496	4.0
79.05922	0.6
81.03418	4.2
81.07051	6.0
83.08620	1.5
85.02902	6.0
86.09710	2.4
87.04509	0.7
89.06077	0.5
91.03943	3.7
91.05484	4.1
93.07047	4.4
95.04971	1.6
95.08598	3.6
97.02894	3.9
97.06509	0.5
99.04457	1.1
101.02404	1.8
105.07017	2.7
107.04961	1.2
107.08604	1.6
109.02893	0.6
109.06517	0.5
109.10168	2.0
111.08141	0.6
117.07026	0.8
119.08582	2.1
121.10159	2.1
123.11721	0.9
125.00017	1.6
127.03941	1.1
129.07002	1.0
131.08595	1.4
133.10118	1.5
135.11649	0.6
145.10083	0.6
147.11700	0.9
149.09605	0.6
157.10133	0.6
163.11128	0.5
165.12813	0.6
175.11217	0.7
184.07315	7.0
184.08655	0.5
185.07771	0.7
193.12259	1.2
197.33810	0.5
211.13249	0.8
236.15126	0.7
243.08456	1.8
251.12592	0.9
335.25848	0.6
469.20425	8.6
470.20996	0.8
509.53848	0.6
518.35822	0.6
519.29395	4.5
519.36658	0.9
550.37976	0.9
561.07355	0.5
747.42816	100.0
748.43188	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	747.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
54.34981	0.6
55.01869	1.4
55.05510	4.2
57.03440	3.5
57.07082	1.5
58.06598	1.4
59.07379	0.8
60.01160	0.7
60.08169	1.1
61.02932	6.1
67.05498	6.1
69.03437	4.1
69.07066	2.8
71.01333	0.9
71.08642	1.3
73.02924	3.6
79.05492	4.5
81.03426	3.0
81.07056	6.3
83.08620	2.4
84.98820	0.7
85.02898	5.0
86.09718	1.2
87.04447	0.9
91.03964	3.8
91.05480	4.4
93.07055	4.3
94.07371	1.0
95.04970	1.6
95.08617	4.4
97.02906	4.5
97.10182	0.9
99.04469	1.0
101.02402	1.5
103.04869	0.7
105.07045	2.6
105.28977	0.7
107.04969	1.5
107.08587	2.3
109.02910	0.9
109.10185	2.7
111.64154	0.8
117.07026	1.1
119.08588	2.7
121.10164	1.9
123.08076	0.9
123.11713	0.7
124.35954	0.7
127.03939	1.5
131.08585	2.2
133.10158	1.5
135.11690	1.0
144.10248	1.1
145.10117	1.4
154.55566	0.7
163.11240	1.6
184.07312	4.3
191.10648	0.8
195.00305	1.3
216.58138	0.8
236.14920	3.5
243.08353	1.5
270.44272	0.8
283.15509	1.6
313.27496	1.5
339.29114	0.9
373.29294	0.6
467.18777	8.4
477.61786	0.7
521.30823	4.6
549.40912	1.0
550.42102	1.9
575.39014	1.7
585.44543	1.5
613.66821	0.8
656.51862	1.5
657.51715	2.6
660.40125	1.0
747.42816	100.0
748.43213	16.4
748.56372	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00336	0.6
53.03954	1.2
55.01880	1.2
55.05511	2.6
57.03440	2.4
57.07078	0.7
61.02930	6.5
65.03928	0.8
67.05508	7.2
69.03431	3.5
69.07072	3.3
71.01372	0.7
71.04998	0.7
71.08643	1.1
73.02915	3.8
79.05487	4.3
81.03432	3.3
81.07063	7.9
83.08622	1.9
85.02905	6.8
86.09688	1.2
91.03977	4.0
91.05500	3.5
93.07068	4.8
95.08610	6.5
97.02877	4.5
97.06535	0.6
98.22588	1.5
99.04450	1.3
99.08089	0.7
101.02363	2.6
105.07045	2.4
107.04972	0.7
107.08610	2.0
107.80920	0.5
109.02865	1.2
109.06557	0.8
109.10175	2.3
111.04428	0.8
111.08068	0.7
117.07047	1.9
119.08574	1.6
121.10159	1.9
123.11750	1.0
125.00015	1.2
125.09653	1.0
127.03967	1.7
131.08604	1.1
133.10164	1.5
135.11725	1.2
137.09573	0.7
145.05060	0.8
145.10181	1.0
157.10205	0.6
161.13333	0.6
163.11217	1.5
169.10181	0.8
173.09673	0.6
184.07379	4.6
185.04250	0.8
195.00435	1.8
226.14522	0.7
236.15060	0.6
243.08611	1.9
256.35565	0.6
275.15866	0.6
283.15479	1.1
337.27399	0.5
349.43741	0.7
369.73312	0.6
391.17880	0.5
397.16840	0.5
450.72858	0.6
467.19012	4.0
474.38257	0.6
521.30823	10.1
521.38049	0.9
575.39331	1.1
577.20557	0.9
607.26117	0.7
623.24866	1.5
651.23987	1.2
655.28064	0.9
715.29749	0.7
747.42853	100.0
748.43121	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.9
55.01874	1.0
55.05510	2.8
57.03436	1.9
60.08170	1.1
61.02934	5.5
65.83881	0.6
67.05516	5.9
69.03455	3.9
69.07075	2.6
69.08852	4.7
69.22231	0.7
71.05003	1.2
71.08652	1.0
71.49507	0.7
73.02917	4.8
74.48806	0.6
75.97174	0.6
79.05490	5.2
80.04839	0.6
81.03427	2.8
81.07057	6.1
83.08628	2.5
85.02914	6.6
86.09734	3.3
91.03951	3.9
91.05470	4.0
93.07050	4.3
95.04986	1.1
95.08601	5.5
97.02888	5.2
97.06519	1.3
97.10220	0.8
99.04500	1.6
101.02419	2.3
105.07059	2.3
107.04946	1.5
107.08605	2.5
109.02913	1.0
109.06522	0.9
109.10173	1.7
111.04485	1.0
114.82879	0.8
115.03931	0.9
117.07033	2.0
119.08581	1.8
121.10206	2.1
123.08086	1.6
123.11737	0.9
125.00027	1.7
127.03944	2.0
131.08582	1.9
133.10178	1.6
135.08052	1.0
135.11734	2.1
145.10162	1.8
147.08134	0.7
147.11772	0.8
155.08629	0.9
157.10168	0.8
158.55505	0.6
163.11212	2.7
175.67682	0.7
184.07356	7.5
185.07724	0.9
195.00383	1.6
209.11803	0.9
236.15114	1.0
243.08409	2.1
245.95029	0.7
267.96045	0.6
280.34595	0.7
304.94833	0.7
363.99551	0.8
467.18839	12.9
467.24878	1.3
521.30859	5.2
575.38879	1.1
599.53052	0.8
747.42834	100.0
748.43274	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	748.4837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.0
55.01876	9.0
55.05274	3.0
55.05516	32.7
57.03442	17.5
57.06834	1.6
57.07070	9.7
58.06609	1.6
59.04988	3.0
61.02921	7.3
65.03949	3.7
67.05511	49.6
69.03426	6.5
69.07072	42.6
70.06571	1.5
70.86272	3.4
70.86627	1.4
71.01350	4.7
71.05016	7.6
71.08627	4.0
73.02924	1.6
73.06530	2.1
74.94236	1.4
76.41505	1.4
79.05066	3.1
79.05499	43.3
80.05814	1.8
81.03418	31.6
81.03869	2.9
81.07059	53.9
82.75116	1.7
83.01360	4.0
83.04984	14.1
83.08623	30.8
83.09116	2.4
85.02912	10.4
85.06552	4.5
85.10166	1.4
86.09704	7.8
87.04472	2.6
89.06016	1.6
91.03944	1.7
91.05489	22.9
93.07054	49.0
95.04968	10.0
95.08046	2.9
95.08612	35.1
97.02905	15.2
97.06541	13.8
97.10166	14.3
99.04458	4.0
99.08113	3.9
101.02399	2.2
105.04505	1.7
105.07041	10.2
107.04950	22.0
107.08600	29.1
109.06502	9.8
109.10150	15.2
111.04457	29.6
111.08085	5.0
111.11732	3.4
117.07007	13.3
119.08576	15.6
121.06541	9.9
121.10153	31.1
123.08067	8.1
123.11712	6.1
125.00011	3.7
125.05983	6.4
125.09626	4.1
127.03932	2.0
129.06984	3.7
131.08580	11.6
133.10184	3.2
135.08078	5.2
135.11694	28.2
137.05919	1.6
137.09615	3.6
137.13248	2.5
139.11194	2.4
143.08531	2.4
145.06543	3.1
145.10118	23.4
147.08049	4.4
147.11732	1.7
149.09685	2.8
149.13245	4.5
153.12715	11.5
155.08582	3.9
163.11183	31.7
163.14883	2.0
173.09578	8.4
177.12813	1.8
181.12216	4.6
184.07338	20.0
191.10712	12.6
195.13736	1.8
208.21550	1.6
209.11736	16.0
219.21255	1.9
223.13298	25.0
227.12817	9.5
236.14894	3.6
237.22083	3.5
241.14333	36.9
241.16618	2.7
248.47557	2.0
265.14362	11.6
283.15439	27.1
293.39047	1.7
297.17139	1.7
311.25803	100.0
312.26114	6.1
315.18008	55.0
316.18222	4.4
427.31824	2.2
501.35663	14.2
502.36423	2.1
519.36853	79.4
520.36932	7.5
537.37488	1.8
551.39435	58.0
552.39587	6.9
748.42944	3.0
749.44580	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	748.5717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.7
55.05478	1.3
57.03443	4.2
57.07084	3.7
58.01149	0.3
58.06603	30.1
58.07015	0.9
59.06910	0.4
59.07386	7.9
60.08169	7.9
66.75491	0.3
67.05508	3.0
67.34473	0.3
69.02649	0.7
69.03050	2.0
69.07027	1.2
71.08630	2.2
73.02901	0.7
75.04478	2.1
79.05497	1.9
81.07076	2.5
83.08575	1.2
84.08114	0.9
85.02916	2.5
85.10192	1.6
87.04471	3.0
91.05485	1.6
93.07040	1.8
95.04943	0.7
95.08595	2.7
96.82753	0.4
97.06511	1.1
98.50754	0.3
100.11255	0.6
102.05567	0.6
105.05482	0.5
105.07000	1.4
107.04933	0.8
107.08587	1.0
109.06525	0.4
109.10135	0.9
113.05972	1.0
116.07047	0.3
116.10693	0.4
119.08535	0.8
121.10109	0.5
130.08614	0.7
131.07022	0.9
131.08546	0.6
133.10124	0.5
134.32373	0.3
135.08099	0.3
137.13206	0.3
144.10197	11.1
144.11328	0.6
145.10385	0.4
159.11635	0.5
162.11275	4.5
181.00977	0.3
193.99867	0.3
200.12843	0.7
218.13896	1.0
236.14928	71.4
237.15254	2.4
269.39838	0.3
275.19937	0.4
313.27298	0.8
340.31403	0.3
412.37900	0.9
456.36859	4.2
457.37329	0.5
474.37915	14.6
475.38025	1.7
492.33020	2.3
493.33841	0.4
510.34381	4.5
587.46698	0.6
675.64819	0.4
730.55688	0.9
748.57178	100.0
749.57550	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	748.5716
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43229	0.4
55.01837	1.5
55.05470	1.3
57.03436	6.3
57.07079	4.7
58.06601	44.0
58.07013	1.4
59.04954	0.5
59.06915	0.4
59.07383	11.8
60.08167	11.9
60.08448	0.5
67.05511	4.0
69.07067	3.6
69.36829	1.1
69.37254	1.3
71.08632	3.7
73.02893	0.9
75.04476	3.4
77.01599	0.4
79.05490	2.6
81.03374	0.6
81.07055	3.5
83.04945	0.6
83.08636	1.8
84.08144	2.3
85.02509	0.3
85.02901	3.2
85.10140	1.7
86.09679	0.4
87.04464	3.9
91.05486	2.8
93.05508	0.5
93.07034	2.6
95.01273	0.7
95.04935	0.6
95.08033	0.5
95.08598	3.3
96.82746	0.5
96.83276	0.4
97.06485	1.2
97.10149	0.5
100.11208	1.0
102.05495	1.1
103.03930	0.8
105.05476	0.9
105.07046	2.1
107.04932	1.4
107.08559	1.1
109.06454	0.5
109.10149	0.7
113.06000	1.9
117.06989	1.1
119.08546	1.4
121.10088	0.5
129.07028	0.4
130.08607	1.0
131.07086	1.8
131.08517	0.8
133.10120	0.6
144.10196	17.3
145.10158	0.6
162.11272	5.8
163.11218	0.5
200.12779	0.8
218.13765	0.8
236.14922	100.0
237.15305	3.7
253.25691	0.4
267.73203	0.4
302.05655	0.4
313.27414	1.1
369.29852	0.6
373.79282	0.4
412.38083	0.9
430.43295	0.4
445.37970	0.4
448.34189	0.6
456.36896	5.6
457.37454	1.0
474.37885	14.0
475.38272	1.4
492.33130	2.1
493.33698	0.5
510.34271	5.7
511.34537	0.8
557.19763	0.4
646.40674	0.5
748.57153	97.0
749.57477	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	749.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01862	0.9
55.05507	1.3
56.98695	0.4
57.02898	0.4
57.03441	3.5
61.02926	5.5
65.03947	0.6
67.05508	2.8
69.03433	2.9
69.07077	1.6
70.06573	0.5
70.56221	0.8
71.01348	0.9
71.04980	0.8
73.02914	3.5
79.05492	4.1
79.11668	0.4
81.03421	2.1
81.07060	4.3
83.01321	0.4
83.04985	1.1
83.08598	0.6
85.02896	4.0
87.04466	0.6
91.03969	2.5
91.05478	4.7
93.07037	3.6
95.04972	0.8
95.08610	2.1
97.02882	3.6
97.06546	0.9
99.04484	0.8
101.02393	1.6
105.07077	2.0
107.04962	0.6
107.08604	1.9
109.02900	1.1
109.06512	0.8
109.10204	0.8
117.07050	1.3
119.08595	1.3
121.06556	0.6
121.10175	1.1
123.08092	0.9
125.09659	0.4
127.03938	1.3
131.08563	1.1
135.08081	1.3
135.11719	0.8
137.09604	0.5
145.10147	1.5
147.08084	0.4
149.02388	1.4
159.23091	0.4
161.28596	0.4
163.11203	1.1
185.04247	0.7
193.04961	0.7
200.20129	1.3
243.06436	0.4
243.08401	2.5
249.11110	0.5
261.19510	0.4
283.15613	0.6
305.17279	1.0
333.20538	0.6
411.16315	0.7
425.17984	1.1
439.15707	1.1
467.18863	4.3
523.25055	5.5
524.25592	0.6
551.28149	0.7
577.13354	0.5
598.88147	0.5
731.36530	0.9
749.37109	100.0
750.37738	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	749.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.7
55.01872	0.8
55.05513	1.1
57.03432	2.1
61.02926	4.7
65.03933	0.3
67.05502	2.7
69.03432	2.8
69.07061	1.9
70.61416	0.6
71.01360	0.4
71.04981	0.4
73.02914	3.3
79.05487	4.5
79.05919	0.4
81.03410	2.2
81.07068	3.2
83.05000	0.7
83.08634	0.4
85.02908	4.1
91.03959	2.6
91.05488	5.0
91.98615	0.3
93.07048	3.8
95.04984	0.8
95.08599	1.8
97.02895	4.0
97.06534	0.5
99.04462	0.8
101.02381	1.8
104.72123	0.2
105.07008	1.5
107.04982	1.0
107.08599	2.1
109.02857	0.5
109.06535	0.9
109.10192	0.5
111.04436	0.3
115.03980	0.4
117.07023	3.1
119.08598	1.3
121.10167	0.9
123.08089	0.5
125.09595	0.3
127.03944	1.2
131.08586	0.7
133.10143	0.8
135.08060	3.2
135.11716	0.8
137.09621	0.3
143.08583	0.4
145.10168	0.9
147.08011	0.3
147.11739	0.3
159.11761	0.3
163.11232	0.7
181.08592	0.3
185.04286	0.7
193.04976	0.3
203.05400	0.3
243.08348	2.7
255.12445	0.4
291.88837	0.3
303.06958	0.6
333.20496	1.0
339.63101	0.3
411.16144	0.7
439.15564	5.0
440.16156	0.5
467.18912	2.4
475.07727	0.3
483.18381	0.4
523.25232	2.2
551.28174	2.1
552.28815	0.4
602.41223	0.3
650.10126	0.4
731.35760	1.4
732.36975	0.3
749.37091	100.0
750.37518	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	749.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01873	1.7
55.05506	2.0
57.03431	3.0
57.92240	0.5
59.04998	0.5
61.02928	6.8
66.79075	0.5
67.05507	3.6
69.03423	4.1
69.07068	3.0
70.34486	1.5
71.04984	0.9
71.08630	1.5
73.02915	4.2
79.05500	5.4
81.03421	4.1
81.07062	5.3
83.04987	1.0
83.08603	1.1
85.02906	6.5
87.04462	0.7
91.03963	2.8
91.05493	3.3
93.07033	4.4
95.04984	2.4
95.08604	2.3
97.02890	5.7
97.06538	2.0
97.10177	0.7
99.04458	1.7
99.08086	1.1
101.02379	1.5
105.07039	1.9
107.04969	0.8
107.08599	2.3
109.02900	1.1
109.06564	0.6
109.10155	1.3
115.03942	0.6
117.07042	2.2
119.08591	2.1
121.10159	2.3
123.08067	1.7
127.03943	1.6
130.04123	0.5
131.08527	0.9
133.10095	0.8
135.08047	0.6
135.11722	1.3
137.09631	0.8
141.95787	0.5
143.07072	0.8
143.30797	0.5
145.10135	1.9
149.09656	0.7
149.90669	0.5
153.12679	0.5
163.03625	0.5
163.11197	1.6
169.09993	0.8
184.07417	0.8
185.04265	1.2
203.05437	0.5
209.11827	0.6
227.12860	0.5
243.08408	4.3
247.26100	0.6
301.09189	0.8
303.06943	1.0
305.13443	0.6
305.17123	1.1
341.14865	0.6
357.15219	1.7
401.17050	1.0
439.19672	1.0
467.18884	9.9
505.24023	1.0
523.24951	4.8
539.21161	1.7
551.28491	0.9
553.25830	1.6
554.27069	0.9
562.21582	0.9
611.26672	1.1
623.26984	0.9
663.30365	2.4
703.34644	0.8
731.35986	2.7
749.37195	100.0
750.37482	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	749.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.1
54.61617	0.5
55.01873	1.4
55.05505	2.3
57.03440	2.8
61.02927	3.6
61.58681	0.5
61.68848	0.5
66.55714	0.5
67.05508	5.1
69.03432	3.8
69.07069	3.1
70.06593	0.6
71.01369	0.7
71.04975	0.6
71.06256	0.9
71.08629	1.4
73.02923	4.3
74.36548	0.6
79.05490	6.6
81.03409	3.9
81.07046	4.2
83.04959	1.8
83.08623	0.6
85.02914	4.4
87.04461	0.6
91.03954	2.8
91.05482	4.1
93.07044	4.1
94.07391	0.9
95.04946	1.5
95.08598	3.1
97.02888	5.2
97.06557	0.8
98.03217	0.6
99.04440	1.3
101.02380	2.4
102.97994	0.5
103.03951	0.6
105.07015	3.1
107.04955	1.5
107.08566	2.5
109.02876	0.8
109.06554	0.8
109.10200	0.6
117.07010	1.5
119.08588	2.1
121.06554	0.8
121.10108	2.5
123.08169	0.7
125.09660	0.6
127.03915	1.7
131.08592	1.5
133.10120	1.4
135.08119	0.7
135.11697	1.7
143.07079	0.7
145.10132	1.8
149.09645	0.7
163.11185	1.9
165.09091	0.6
165.78905	0.5
181.12300	0.6
185.04250	1.0
209.11778	1.0
243.08458	3.5
256.09882	0.5
260.59549	0.6
281.12924	1.3
287.09778	0.7
357.15173	1.0
380.49402	0.5
383.35492	0.6
397.14417	0.7
429.17255	0.7
439.19806	1.2
467.18820	7.4
468.19250	0.7
505.24060	0.7
508.73740	0.6
523.25146	4.4
539.20581	0.7
551.28223	1.0
553.25128	0.6
623.26605	1.9
663.30182	2.6
703.32941	1.0
731.35706	1.6
749.37256	100.0
750.37469	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	749.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
55.01867	1.1
55.05506	2.0
56.85132	0.4
57.03449	2.4
61.02928	5.6
61.98749	0.4
65.03973	0.4
67.05509	5.1
69.03432	2.8
69.07064	1.6
70.06573	0.6
71.01357	0.8
71.04998	0.7
73.02921	3.6
79.05498	4.7
81.03420	5.4
81.07056	4.8
83.04965	2.0
83.08611	1.5
85.02912	5.3
85.06534	0.6
87.04499	0.5
91.03964	3.6
91.05486	9.8
92.05811	0.6
93.07040	3.7
95.04955	1.6
95.08620	1.7
97.02898	5.5
97.06538	0.7
98.22598	1.2
99.04440	1.3
101.02383	1.9
103.03941	0.5
105.07034	3.5
107.04974	2.0
107.08603	2.2
109.02874	1.0
109.06514	0.9
117.07018	1.9
119.08575	2.3
121.06462	0.5
121.10141	1.2
123.08080	1.2
127.03905	1.8
131.08569	1.8
133.10150	4.0
135.08028	1.2
135.11705	1.3
143.08542	0.8
145.10143	1.7
147.11615	0.5
149.09637	1.3
151.11159	0.6
161.09633	1.6
163.11214	2.1
170.79050	0.4
184.07353	0.7
185.04283	1.1
208.00746	0.5
209.11777	0.7
219.09933	1.3
229.06416	0.4
243.08427	3.9
249.11069	1.0
275.12704	0.6
283.15433	1.3
305.13748	0.7
360.17682	0.6
360.21671	0.6
361.67313	0.5
420.06598	0.5
425.17688	0.9
437.17819	10.4
438.18201	1.5
461.07153	0.5
467.18875	11.5
468.19247	0.9
483.23428	0.5
484.24728	0.5
501.24368	1.4
505.24139	2.2
523.25208	3.4
524.12384	0.5
529.23779	0.7
565.26440	0.5
633.28485	1.4
635.30438	0.7
651.29779	2.6
652.30304	0.7
663.29858	100.0
664.30212	13.8
719.68939	0.5
731.35858	7.8
732.36975	0.9
749.37170	35.1
750.36920	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	749.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.01867	1.2
55.05501	2.1
57.03431	2.6
60.06860	0.4
61.02932	5.8
67.05502	4.4
69.03423	3.7
69.07066	1.9
71.01337	0.6
71.04986	1.1
73.02920	5.0
79.05492	4.5
81.03417	6.1
81.03863	0.6
81.07062	4.7
83.01364	0.6
83.04981	1.8
83.08625	1.3
85.02911	6.6
85.06541	0.5
90.20291	0.4
91.03964	4.8
91.05481	10.5
93.07035	4.2
95.04968	1.6
95.08607	2.4
97.02898	6.4
97.06526	0.8
97.10172	0.5
99.04451	1.1
99.08053	0.4
101.02374	2.5
103.03953	1.1
105.07022	4.5
107.04964	1.6
107.08604	2.2
107.35915	0.5
109.02880	0.7
109.06504	1.0
109.10154	1.2
109.60741	0.4
112.48604	0.5
115.03970	0.6
117.07038	2.0
119.08571	2.7
120.50858	0.4
121.06480	0.5
121.10147	1.9
123.08067	1.3
127.03932	2.6
129.05473	1.0
129.06996	0.6
129.91032	0.4
131.08540	1.2
133.06476	0.5
133.10121	3.4
135.08055	0.9
135.11662	1.7
137.09610	0.7
143.08563	1.0
145.10138	1.2
149.09605	0.8
152.28006	0.4
161.09572	2.2
163.11180	1.8
167.10698	0.5
173.09557	0.5
179.10677	0.9
181.12282	0.5
184.07376	1.1
185.04214	1.3
201.03622	0.4
206.86549	0.5
209.11786	0.7
219.09911	1.2
242.20767	0.5
243.08337	4.3
245.11469	0.7
249.10997	0.8
253.14323	0.8
275.12567	0.9
283.15366	1.1
301.08725	0.5
305.13498	0.5
409.18066	0.6
425.17764	1.1
437.17841	12.4
438.18024	1.3
441.63495	0.5
467.18842	11.0
468.19269	1.0
497.15170	0.5
501.24658	1.3
505.24023	2.0
523.25092	4.8
529.24225	0.6
539.21643	0.5
567.24005	0.6
633.28656	1.8
635.29962	0.6
651.29211	2.5
663.29822	100.0
664.30261	12.9
703.33862	0.6
717.62177	0.5
731.36218	6.9
732.35767	1.7
749.37286	33.6
750.37433	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	749.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35400	0.5
53.03932	1.1
55.01859	1.4
55.05510	2.3
57.03432	2.6
57.07065	0.6
61.02934	5.7
67.05503	7.0
69.03426	3.6
69.07067	3.2
69.09452	3.8
71.04984	1.5
71.08622	0.6
73.02922	4.9
73.43586	0.6
79.05493	7.2
81.03416	3.9
81.07053	5.7
83.04972	2.0
83.08616	1.3
85.02911	5.8
87.04453	0.8
91.03963	3.1
91.05483	5.4
92.05822	0.5
93.07035	6.3
95.04939	1.4
95.08615	2.8
97.02887	5.9
97.06533	1.5
97.10152	1.1
99.04443	1.6
99.08093	0.6
101.02367	2.0
105.07037	2.8
107.04948	1.5
107.08585	3.6
109.02871	1.3
109.06539	0.9
109.10150	2.1
111.08095	0.5
117.07026	1.9
119.08587	2.2
121.06493	0.8
121.10142	1.5
123.08073	1.2
125.09648	0.7
127.03861	1.2
129.05473	1.3
129.07019	0.7
131.08575	1.1
133.10121	1.2
135.08035	0.9
135.11697	3.7
145.10114	1.8
147.11708	0.9
163.11212	1.3
185.04175	1.4
201.03596	0.6
203.05290	1.0
221.11501	0.9
243.08342	4.4
255.15919	0.8
281.13046	0.5
301.09085	0.8
315.10565	0.9
333.20322	1.4
357.15143	2.1
373.10992	1.1
403.20526	0.8
429.17532	0.6
437.17813	0.6
439.19577	8.2
453.20984	0.5
467.18808	5.4
505.23868	1.2
511.21219	0.7
523.24963	1.4
539.20831	4.2
551.28168	5.1
553.26282	4.4
554.26617	1.3
580.52209	0.5
611.26807	2.6
619.91315	0.5
663.29907	6.0
703.34552	0.7
731.36108	4.2
732.35803	0.7
749.40845	100.0
750.41290	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35400	0.5
53.03932	1.1
55.01859	1.4
55.05510	2.3
57.03432	2.6
57.07065	0.6
61.02934	5.7
67.05503	7.0
69.03426	3.6
69.07067	3.2
69.09452	3.8
71.04984	1.5
71.08622	0.6
73.02922	4.9
73.43586	0.6
79.05493	7.2
81.03416	3.9
81.07053	5.7
83.04972	2.0
83.08616	1.3
85.02911	5.8
87.04453	0.8
91.03963	3.1
91.05483	5.4
92.05822	0.5
93.07035	6.3
95.04939	1.4
95.08615	2.8
97.02887	5.9
97.06533	1.5
97.10152	1.1
99.04443	1.6
99.08093	0.6
101.02367	2.0
105.07037	2.8
107.04948	1.5
107.08585	3.6
109.02871	1.3
109.06539	0.9
109.10150	2.1
111.08095	0.5
117.07026	1.9
119.08587	2.2
121.06493	0.8
121.10142	1.5
123.08073	1.2
125.09648	0.7
127.03861	1.2
129.05473	1.3
129.07019	0.7
131.08575	1.1
133.10121	1.2
135.08035	0.9
135.11697	3.7
145.10114	1.8
147.11708	0.9
163.11212	1.3
185.04175	1.4
201.03596	0.6
203.05290	1.0
221.11501	0.9
243.08342	4.4
255.15919	0.8
281.13046	0.5
301.09085	0.8
315.10565	0.9
333.20322	1.4
357.15143	2.1
373.10992	1.1
403.20526	0.8
429.17532	0.6
437.17813	0.6
439.19577	8.2
453.20984	0.5
467.18808	5.4
505.23868	1.2
511.21219	0.7
523.24963	1.4
539.20831	4.2
551.28168	5.1
553.26282	4.4
554.26617	1.3
580.52209	0.5
611.26807	2.6
619.91315	0.5
663.29907	6.0
703.34552	0.7
731.36108	4.2
732.35803	0.7
749.40845	100.0
750.41290	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.01876	0.6
55.05515	2.1
57.03437	2.3
61.02927	5.6
65.03966	0.3
67.05504	5.3
67.05846	0.5
68.05851	0.3
69.03431	3.8
69.07065	1.2
71.01359	0.5
71.05006	0.8
73.02918	5.0
75.07429	0.3
79.05492	5.9
79.05911	0.5
81.03417	2.7
81.07057	4.9
83.04966	1.0
83.08628	0.7
85.02908	5.7
85.06554	0.4
86.09711	0.5
87.04463	0.6
90.56146	0.3
91.03954	3.3
91.05466	3.6
91.05912	0.3
93.07042	5.4
95.04980	1.1
95.08607	3.6
97.02888	5.3
97.06535	0.5
97.10204	0.4
98.22623	0.6
99.04482	1.0
99.08099	0.4
101.02385	2.1
105.07025	1.9
107.04958	0.6
107.08595	1.6
108.35167	0.2
109.02920	0.6
109.06544	0.7
109.10178	1.2
111.04427	0.8
111.08084	0.4
115.03904	0.4
117.07039	1.0
119.08604	1.1
121.10136	3.0
123.08038	0.5
123.11721	0.5
125.00041	0.4
127.03917	1.3
129.06964	0.4
131.08586	0.9
133.10170	1.0
135.08084	0.4
135.11720	1.6
137.09650	0.4
145.10172	1.8
147.11702	0.4
149.13283	0.5
153.12854	0.4
159.11699	0.5
163.11223	1.1
173.13309	0.4
181.12421	0.4
184.07365	1.8
185.04269	0.5
185.07750	0.4
203.05411	0.4
223.13408	0.5
236.15034	0.9
243.08322	1.5
281.13574	5.6
300.60538	0.3
307.22842	0.6
337.16187	0.4
491.26120	7.4
491.32712	0.5
492.26624	0.7
499.21475	3.8
652.48029	0.3
717.38800	0.3
749.40759	100.0
750.41119	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01871	1.6
55.05515	6.0
57.03442	4.6
57.07076	2.3
58.06601	1.7
59.62393	0.4
60.08153	1.1
61.02926	6.3
67.05504	11.3
68.05837	0.7
69.03416	4.3
69.07060	5.1
71.01343	0.9
71.04980	3.0
71.08629	1.5
71.39804	0.5
73.02921	5.1
79.05492	7.5
80.05840	0.7
81.03423	5.5
81.07054	10.5
82.07391	0.8
83.04964	2.5
83.08629	4.1
85.02428	0.8
85.02901	6.4
85.06536	1.1
86.09685	2.7
87.04470	1.5
91.03953	4.1
91.05486	5.2
93.07034	9.0
94.07390	0.8
95.04941	2.4
95.08609	7.2
96.08944	0.8
97.02889	6.9
97.06544	2.0
97.10176	1.9
99.04458	1.8
99.08117	0.8
101.02384	2.9
105.07048	2.3
105.87106	0.6
107.04994	2.0
107.08587	4.6
108.05322	0.6
108.08931	0.7
109.02897	1.4
109.06523	1.3
109.10161	5.4
111.04436	2.5
111.08084	0.8
112.04740	0.8
115.03893	0.8
117.07049	1.7
118.06491	0.5
119.08563	2.4
121.06514	0.8
121.10136	5.0
123.08040	1.0
123.11749	1.3
125.00018	2.1
127.03942	1.6
129.05577	0.5
129.07024	0.6
131.08601	1.8
133.10178	1.2
135.11678	4.4
136.12083	0.8
137.09662	1.1
143.08569	0.6
144.10258	0.8
145.10100	3.2
146.10480	0.8
147.11617	0.8
153.12711	1.2
154.13124	0.7
163.11186	3.0
164.11578	1.3
173.09610	1.0
173.11792	0.9
181.12241	0.6
184.07336	9.4
185.04228	0.7
191.10721	1.0
192.11021	0.7
203.05205	0.7
209.11797	1.4
223.13316	1.6
227.12860	1.4
229.14421	0.8
236.14868	3.6
241.14360	3.0
243.08513	2.0
253.14182	1.6
265.14432	1.2
267.15988	0.9
283.15430	1.8
284.15799	1.0
311.25891	6.1
311.86282	0.6
312.26044	4.8
313.27380	2.5
315.17978	2.8
316.18582	1.9
335.25949	1.1
403.63895	0.5
451.49207	0.6
471.21902	4.8
502.35703	1.2
519.29480	10.2
519.36975	1.9
520.29608	1.4
520.36920	6.2
521.37939	0.7
523.35321	0.6
551.39575	1.6
552.39722	8.1
553.40363	1.3
698.10944	0.6
731.48065	0.6
749.44330	100.0
750.44824	17.9
750.57434	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.7
54.38250	0.5
55.01869	0.7
55.05512	3.6
57.03193	0.4
57.03423	2.7
57.07076	2.6
58.06611	1.2
59.05008	0.7
61.02931	5.8
67.05511	5.0
69.03430	3.3
69.07062	4.3
69.08839	2.6
69.09258	1.2
71.05008	0.7
71.08627	1.9
73.02923	4.6
77.32525	0.4
79.05483	4.0
81.03429	3.2
81.07062	5.4
83.01352	0.6
83.04989	1.8
83.08188	0.5
83.08606	2.7
85.02907	5.9
85.10217	1.1
87.04485	1.7
91.03943	3.1
91.05480	2.7
93.07059	4.0
95.04973	1.0
95.08604	4.8
97.02886	5.3
97.06524	1.5
97.10170	1.8
99.04469	1.2
101.02386	2.8
104.60775	0.5
105.07045	2.1
107.04974	1.0
107.08606	1.8
107.70330	0.5
109.02903	1.4
109.06549	1.1
109.10170	2.5
111.04473	1.0
111.08121	0.5
111.11734	0.7
115.03939	0.5
116.83862	0.5
117.07044	1.5
119.08617	1.7
121.06489	0.5
121.10169	1.9
123.08083	0.5
123.11787	0.7
125.06069	0.5
127.03952	2.1
128.56754	0.6
129.07059	0.7
131.08565	1.1
133.10168	0.9
135.08092	0.6
135.11713	2.2
145.10155	2.0
147.08104	0.5
149.09608	0.6
153.12796	0.5
155.08594	0.5
163.11209	2.2
173.09622	0.7
180.93582	0.5
184.07452	1.5
185.04221	1.2
203.05440	0.5
209.11853	0.5
231.65034	0.5
236.14915	2.7
243.08437	2.5
249.26021	0.5
267.15683	0.6
275.20108	1.0
283.15442	1.0
313.27335	4.4
349.23953	0.8
467.18814	9.0
467.24707	0.6
468.19202	0.6
521.38544	1.5
523.32410	5.4
587.46704	0.8
671.47101	0.6
749.44409	100.0
750.44562	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.05498	0.9
57.03439	0.4
65.03925	0.4
67.05504	0.3
69.03432	5.7
69.16630	0.4
69.17037	1.4
70.78328	0.2
71.05013	0.4
73.02898	0.3
79.05499	0.3
80.69468	0.2
81.02969	0.4
81.03412	2.7
83.04969	2.2
85.02903	2.2
91.05477	3.0
95.04989	0.5
96.15392	0.2
97.02888	6.9
98.22631	0.6
99.04446	2.1
107.04942	0.8
109.02856	0.8
109.03565	0.3
111.04479	0.4
113.05993	0.6
113.39218	0.3
115.03926	5.7
115.05399	0.2
119.04942	11.9
123.04403	0.7
127.03912	1.1
128.06230	0.4
131.04941	1.6
132.05798	0.3
133.06516	0.7
139.03888	0.3
141.06975	0.4
145.04909	0.4
145.06511	0.9
147.04404	100.0
148.04730	3.4
153.06985	0.7
157.04974	1.1
157.06543	0.7
159.04419	4.4
159.08029	0.6
161.05988	0.6
163.03914	0.7
165.05458	2.8
169.06471	1.7
171.04474	0.7
171.08055	2.5
173.05980	0.3
177.05466	0.9
181.06496	0.8
185.05969	0.5
187.07509	0.5
189.05476	0.6
197.05986	2.7
199.07549	1.2
201.05554	0.3
207.06615	0.3
211.07599	0.4
213.05501	0.4
215.07089	1.1
225.05417	0.5
227.07010	2.3
241.04942	0.3
243.06516	3.6
243.08786	0.5
245.08037	0.5
261.07535	5.8
262.07803	0.3
270.81198	0.3
273.07443	0.3
279.08615	0.3
283.08139	0.4
291.08572	1.2
301.09174	0.6
309.09665	20.3
310.09897	1.4
341.10355	0.3
348.93365	0.3
359.11389	0.3
371.11295	0.3
387.10648	0.5
389.12170	0.7
405.11826	2.7
423.12787	5.1
424.13153	0.4
485.14569	0.5
503.15817	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.05509	0.4
57.03439	0.4
59.40273	0.2
62.08698	0.2
64.99958	0.2
65.03921	0.4
69.03432	4.4
70.03799	0.2
70.06622	0.4
70.07027	0.7
71.04987	0.4
77.54342	0.2
79.48883	0.2
81.03421	2.4
83.04987	0.7
85.02908	1.4
91.05478	3.0
97.02893	6.1
99.04447	1.9
105.07038	0.3
106.53017	0.2
109.02891	0.4
111.04372	0.2
113.05991	0.5
115.03930	5.0
119.04086	0.5
119.04942	9.8
120.05273	0.3
123.04472	0.6
127.01514	0.2
127.03912	0.9
131.04924	1.2
133.06471	0.7
145.04987	0.3
147.04405	100.0
148.04730	3.7
159.04407	2.4
163.03871	0.8
165.05487	3.2
177.05525	0.5
197.06059	0.3
213.05435	0.2
227.07011	1.5
241.04929	0.5
243.06470	0.5
243.08652	0.5
261.07596	0.7
291.08612	1.3
292.09848	0.2
309.09665	23.0
310.10013	1.2
325.09076	0.3
389.12271	0.6
405.11600	0.7
423.12817	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	750.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.01853	0.4
55.05501	0.9
57.03432	0.7
61.02922	0.3
65.03939	0.5
67.13880	0.2
68.05046	0.2
68.18842	0.2
69.03433	12.5
69.94960	0.7
70.06593	0.3
71.04993	0.7
73.02902	0.3
79.05505	0.3
79.13921	0.2
80.05010	0.6
81.03424	5.8
82.03758	0.2
82.06555	0.2
83.04990	1.4
85.02908	4.6
85.06530	0.2
87.04466	0.2
91.05484	4.7
95.04965	0.6
96.04480	0.9
97.02894	7.4
97.06516	0.2
98.06059	0.7
99.04456	3.7
101.02370	0.3
107.04949	0.3
109.02887	1.3
111.04445	4.3
113.06018	0.5
114.05538	0.4
115.03921	1.0
116.07095	0.4
119.04948	14.7
120.05251	0.5
120.08109	0.2
121.02859	0.6
121.06525	0.4
123.04430	0.9
127.03928	2.8
135.04442	0.4
137.05919	0.2
141.68819	0.2
145.02919	0.3
145.04980	1.4
147.04411	100.0
148.04741	3.7
149.05974	0.3
161.06050	0.2
163.03886	1.3
163.06017	0.3
164.04376	0.2
165.05524	1.9
168.54594	0.2
175.07495	0.2
177.05502	0.6
180.10060	0.2
194.37810	0.2
195.06534	0.4
197.06004	0.4
213.09238	0.2
215.07030	0.4
225.07607	0.7
227.07048	0.6
241.04895	0.5
241.07181	0.6
243.08701	0.7
245.08049	0.4
259.09753	0.3
260.06314	0.2
291.08618	2.2
292.09116	0.2
309.09689	14.0
310.10022	0.6
339.10739	0.3
389.12277	0.6
405.11261	0.6
407.13403	2.2
421.15036	0.3
503.15909	0.3
535.73712	0.2
569.18341	0.3
570.18256	0.2
588.08228	1.1
665.20941	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.7
54.12481	1.3
55.01883	7.5
55.05513	17.4
57.03438	14.3
57.07079	46.3
58.06584	1.8
59.05001	2.4
61.02922	3.9
67.05505	32.3
69.03410	2.2
69.07066	16.1
71.01341	3.6
71.04996	6.5
71.08630	33.9
79.05490	26.5
81.03417	28.0
81.07054	40.6
83.04985	14.2
83.08604	16.4
85.02895	10.3
85.06538	5.3
85.10181	15.6
86.09702	1.8
87.04482	2.8
89.05973	2.0
91.05474	20.3
93.07043	27.0
95.04971	11.3
95.08055	2.7
95.08606	36.4
97.02891	11.0
97.06532	10.6
97.10144	6.6
99.04449	1.9
99.08106	1.9
105.07034	11.6
107.04943	18.6
107.08594	17.6
109.06544	10.2
109.10143	14.5
111.03719	1.8
111.04442	28.7
111.08075	4.9
111.11720	2.6
113.05984	2.1
117.07033	10.6
119.08578	13.7
121.06538	7.9
121.10130	15.9
122.44320	1.3
123.04424	1.5
123.08080	7.2
123.11681	4.6
125.05999	7.4
125.09615	2.7
128.06180	1.4
129.07005	4.8
130.07828	1.7
131.04935	1.9
131.08560	11.0
133.10110	3.6
135.08087	3.2
135.11685	18.7
137.09618	3.0
145.06435	2.0
145.10118	26.3
146.10368	1.6
147.08032	4.9
148.20010	1.4
149.09587	1.9
153.12679	8.9
155.08562	2.3
161.09575	1.5
163.11183	34.2
164.11609	1.6
173.09630	11.1
175.11018	1.3
177.12654	1.4
181.12180	7.7
184.07304	3.8
191.10681	11.7
195.13771	2.4
209.11717	12.7
210.98424	1.3
223.13268	22.9
227.12819	7.9
236.14983	7.3
239.23743	2.8
241.14342	34.0
242.14680	1.7
257.24820	3.3
265.14310	13.4
279.51840	1.4
283.12607	2.5
283.15427	27.1
297.16962	2.0
313.27347	100.0
314.27756	9.0
315.14462	2.9
315.18018	48.4
316.18295	2.6
340.92731	1.5
446.60193	1.5
503.37399	11.2
504.37372	2.1
521.38391	82.0
522.38232	7.7
529.27161	1.7
553.40979	55.2
554.41406	7.1
649.44189	1.7
663.44269	2.5
750.44672	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.0
53.40975	1.4
55.01889	7.6
55.05520	13.7
55.39766	1.7
57.03442	17.3
57.07083	45.3
58.06602	4.6
59.05001	3.0
59.07372	2.2
60.08167	3.3
61.02930	4.2
61.93984	1.3
65.03940	2.6
67.05507	31.2
69.03432	3.2
69.07063	14.3
69.89714	7.2
71.01381	2.7
71.04990	3.9
71.08637	36.5
79.05501	25.0
79.05915	2.5
81.03430	27.9
81.07064	30.6
83.01365	2.5
83.04990	9.6
83.08611	15.0
85.02903	9.6
85.06563	2.4
85.09716	2.5
85.10189	19.8
86.09704	3.4
87.04485	6.6
89.06062	2.3
91.05492	16.2
93.07053	25.7
95.01302	2.1
95.04975	7.9
95.08609	38.8
97.02889	8.9
97.06549	10.0
97.10186	5.9
98.23333	2.8
99.04472	2.1
105.07032	8.9
107.04964	20.0
107.08597	12.9
109.06529	8.2
109.10168	14.7
111.04436	20.3
111.08102	2.0
111.11710	2.3
113.06008	2.2
117.07040	10.2
119.08595	9.8
121.06545	7.3
121.10145	8.1
123.08064	6.5
123.11703	4.7
125.00025	2.8
125.06016	3.9
125.09649	3.0
127.03922	2.4
129.07021	4.1
130.07811	1.6
131.08594	7.8
133.10133	4.4
135.08049	2.5
135.11702	12.8
137.09636	2.8
139.07526	1.8
143.08609	2.5
145.10127	18.4
145.42732	1.7
147.08092	5.9
149.09627	2.1
153.12782	8.4
155.08621	2.4
163.11203	27.4
173.09691	5.6
181.12218	3.4
184.07343	10.3
191.10710	12.2
198.60799	2.2
209.11679	7.9
223.13303	13.4
227.12842	7.0
236.14914	12.9
239.23814	3.8
241.14372	23.2
245.98663	1.7
262.71191	1.5
265.14380	17.8
283.15390	19.9
297.16928	2.4
313.27365	100.0
314.27698	8.1
315.18051	38.6
316.18552	2.5
339.09998	1.7
353.16263	1.6
474.37811	1.9
503.37292	12.8
521.38409	64.7
522.38715	9.2
535.39966	2.4
549.68109	1.6
553.41046	81.3
554.41290	11.7
692.99005	1.9
750.46313	3.5
750.58392	11.2
751.46661	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	750.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64333	2.2
55.01868	2.7
55.05515	19.9
57.03445	18.4
57.07067	11.2
58.06599	7.7
59.07380	2.2
60.08175	5.2
63.19427	2.8
67.05502	28.1
69.07074	27.2
69.68304	8.5
71.08620	7.5
73.02879	3.3
78.73427	2.1
79.05487	21.2
81.03416	58.0
81.07056	32.8
83.04986	5.4
83.08625	27.1
85.02921	3.9
85.10175	2.4
86.09720	15.4
87.04460	15.0
91.05480	19.0
93.07048	19.0
95.04947	14.0
95.08600	20.8
97.02872	3.0
97.06537	7.5
97.10155	5.9
105.07049	11.9
107.04959	4.5
107.08589	12.5
109.10149	8.6
111.08076	4.9
113.06036	3.0
117.06964	3.4
119.08560	13.4
121.10136	16.4
123.08056	2.8
123.11642	3.5
124.31188	2.6
125.00020	13.8
129.07001	7.6
131.08586	5.7
133.06529	3.1
133.10081	5.8
135.11658	8.9
137.13330	2.8
144.10213	4.7
145.10214	2.8
147.08087	3.3
147.11755	5.6
149.09679	5.4
157.10121	7.0
163.11168	2.5
165.12712	2.9
175.11273	4.4
184.07352	49.5
185.07648	2.4
193.12242	18.7
200.07306	2.5
203.67264	2.3
219.20996	2.8
236.14922	28.0
267.15915	100.0
268.16171	5.7
279.36786	2.5
311.25809	78.6
312.26050	4.6
313.27338	5.3
355.63736	2.5
357.01855	2.3
474.37973	5.7
503.37329	72.3
504.37485	7.7
521.38519	12.1
553.40289	4.2
590.87012	3.0
684.98254	2.5
732.57477	9.8
750.46021	16.5
750.57367	11.6
751.42920	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	750.5869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.4
55.01846	0.5
55.05505	1.5
56.04979	0.3
57.03436	4.8
57.07073	4.2
58.06601	33.0
58.07013	0.9
59.04976	0.4
59.07383	10.0
60.08165	9.3
61.75300	0.3
65.03912	0.7
67.05505	3.6
69.07059	1.7
69.56476	1.1
71.08630	2.7
71.86960	0.3
73.02898	0.6
75.04472	2.5
79.05488	2.1
81.07056	3.0
83.08620	1.4
84.08110	1.3
85.02898	2.6
85.10186	1.5
86.09653	0.4
87.04470	3.8
91.05484	3.1
93.07040	2.0
95.04955	0.4
95.08601	2.6
96.08064	0.3
97.06508	0.4
100.11241	0.7
102.05507	1.0
103.03930	0.6
105.05472	0.6
105.07029	3.3
107.08546	0.5
109.10107	0.8
113.06002	1.5
116.10719	0.7
117.06998	0.6
119.08560	1.6
123.11656	0.4
129.05464	0.4
129.06985	0.4
130.08649	0.3
131.07034	1.5
131.08545	1.0
133.10088	0.9
144.10193	14.3
145.10175	0.7
147.11685	0.5
149.16420	0.3
162.11252	5.4
169.64417	0.3
171.11659	0.3
200.12769	0.8
218.13890	1.5
236.14919	100.0
237.15207	3.5
290.15900	0.4
313.27432	0.9
369.29816	0.6
412.37915	1.3
432.34628	0.5
456.36804	6.5
457.37085	0.5
474.37863	16.2
475.38394	1.5
476.33780	2.5
494.34698	5.6
495.35312	0.5
605.82666	0.3
606.12305	0.3
728.75165	0.4
732.57660	99.9
733.58014	17.3
750.58459	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.5872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.4
55.05474	1.3
57.03440	4.1
57.07075	4.3
58.06599	32.2
58.07010	0.9
59.06901	0.4
59.07380	8.8
60.08163	8.4
67.05504	2.9
69.07069	1.7
71.08634	4.4
72.67066	0.3
73.02892	0.6
75.04482	2.5
79.05484	1.7
81.07056	2.8
83.08585	1.1
84.08145	1.7
85.02911	1.7
85.10139	1.2
86.09669	0.5
87.04472	4.4
91.05444	1.1
93.05486	0.6
93.07040	2.0
95.04950	0.4
95.08603	2.9
96.92119	0.3
97.06495	0.6
97.10125	0.6
98.23383	0.5
99.08052	1.0
100.11235	0.6
101.06046	0.3
102.05495	1.1
103.03925	0.3
105.05477	0.9
105.06998	1.2
107.08559	0.9
109.06491	0.3
109.10127	1.1
113.05965	1.3
116.07024	0.3
119.08554	0.8
121.10116	0.8
130.08580	0.9
131.07034	1.6
131.08536	0.6
133.10153	0.5
135.11629	0.3
144.10197	14.4
151.11197	0.6
157.10054	0.4
161.13287	0.4
162.11263	4.8
173.62486	0.3
179.14357	1.0
200.12762	1.0
218.13882	1.2
228.92130	0.3
236.14917	95.5
237.15247	3.5
260.23709	0.3
279.93335	0.3
313.27335	1.3
369.30188	0.7
412.37930	1.3
450.36121	0.4
456.36877	6.0
457.37082	0.8
474.37885	15.5
475.38324	1.3
479.78418	0.3
494.34747	3.1
512.35736	4.9
513.36237	0.7
692.90729	0.3
732.57648	10.3
733.57959	1.8
750.58734	100.0
751.58978	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	751.387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01871	1.3
55.05515	2.4
57.03431	2.0
61.02930	5.5
64.99326	0.5
67.05511	4.6
69.03433	3.1
69.07072	1.4
71.01351	1.1
71.04981	0.7
71.05764	0.9
71.08630	0.7
73.02920	3.9
79.05492	5.3
80.45045	0.4
81.03420	3.0
81.07056	4.4
83.04986	1.8
83.08615	1.8
85.02901	4.3
85.06561	0.5
88.21063	0.5
91.03948	2.9
91.05476	4.6
91.39973	0.4
93.07054	4.5
95.04974	2.2
95.08619	2.9
97.02885	4.7
97.06515	0.7
99.04464	1.2
101.02399	1.6
103.03979	0.6
105.07029	2.7
107.04992	1.3
107.08590	2.7
109.02879	0.6
109.06522	0.9
109.10146	0.7
115.03956	0.5
117.07024	1.1
119.08593	2.6
121.06555	0.6
121.10152	2.0
123.08065	4.4
125.09639	0.9
127.03922	1.3
131.08539	1.1
133.10121	1.3
135.08043	1.0
135.11717	1.0
135.83049	0.5
136.07547	0.5
144.60536	0.4
145.10172	1.1
147.08107	0.5
147.11705	0.9
149.09645	0.9
161.40636	0.4
163.11186	2.4
164.07115	1.0
165.09085	0.6
183.31317	0.5
185.04260	0.5
203.05432	0.5
203.08240	0.5
217.09848	0.6
225.10443	0.5
236.14853	0.9
239.02933	0.5
243.08353	3.4
245.09146	0.7
261.08887	1.4
263.10376	0.9
283.15433	0.9
301.08865	0.7
305.11270	0.9
307.18872	1.0
313.08804	0.6
315.10678	0.8
373.11157	0.6
426.16708	0.7
439.15704	0.7
450.16901	0.6
459.60846	0.5
467.18924	5.2
468.18237	1.1
469.20584	0.6
497.19992	0.9
507.25739	0.8
523.25427	0.6
525.26715	4.9
526.27283	0.6
584.28442	0.6
665.31787	1.7
687.33447	0.5
733.37189	2.8
751.38611	100.0
752.38977	14.8
754.93750	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01976	1.0
55.05347	1.5
55.05621	1.6
57.03271	1.6
57.03572	2.3
61.02737	2.0
61.03074	4.3
67.05271	1.8
67.05657	4.5
69.03176	1.4
69.03587	3.4
69.07189	1.1
71.01485	1.1
71.05131	1.0
71.08756	0.8
71.28606	1.2
73.03083	3.8
75.63531	0.8
79.05185	1.7
79.05672	3.5
81.03608	3.1
81.06736	1.7
81.07248	4.0
83.04726	1.5
83.05174	2.2
83.08347	1.0
83.08788	1.7
85.02526	2.2
85.03099	7.2
86.09864	0.9
91.03561	1.2
91.04163	3.3
91.05061	1.7
91.05689	6.2
93.06622	1.6
93.07253	3.9
95.04598	0.9
95.05130	1.9
95.08822	3.2
97.02435	1.0
97.03111	5.4
97.06680	1.8
99.03880	0.6
99.04610	1.5
101.02621	2.8
105.06502	1.4
105.07272	3.6
107.05127	1.6
107.08820	2.2
109.02394	0.7
109.03061	1.2
109.06699	1.4
109.10333	1.6
111.04623	1.0
117.07267	2.4
119.08804	2.4
121.10314	1.1
123.08235	1.0
127.04111	1.7
131.08794	1.7
133.10390	2.6
135.08209	0.9
135.11952	2.2
143.08788	1.1
145.10406	2.0
149.08580	0.8
149.09801	1.1
158.99840	0.9
161.09843	1.2
163.11447	1.5
184.07549	0.9
190.35378	0.8
203.05765	0.8
228.73480	0.7
236.15213	1.5
243.08398	3.8
249.11449	1.1
275.12756	0.8
283.15704	1.7
409.18417	1.2
437.17877	9.2
439.19293	1.6
467.18884	16.8
468.19577	1.8
501.24704	1.7
507.25903	2.7
519.66016	0.8
525.26868	3.2
531.77368	0.9
580.11945	0.8
621.29193	1.3
633.28894	2.1
635.30371	6.1
651.29541	3.7
663.29852	100.0
664.30121	12.8
677.04218	0.8
691.31964	1.0
705.37750	2.5
733.37683	13.0
734.38483	3.7
751.38708	54.6
752.38281	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	751.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.2
55.05521	1.7
56.45356	0.4
57.03440	2.2
58.06609	0.7
59.04999	0.8
61.02929	5.6
67.05504	5.0
69.03424	3.1
69.07064	1.2
71.01350	0.4
71.04999	1.5
71.29895	0.4
73.02918	3.8
79.05490	5.5
80.05823	0.4
81.03415	3.5
81.07063	4.4
83.04950	0.5
83.08620	0.9
85.02899	5.5
85.06541	0.4
86.09704	0.5
87.04486	0.9
89.66566	0.4
91.03945	2.5
91.05480	3.2
91.24504	0.3
93.07034	5.0
95.05001	0.8
95.08609	2.3
97.02895	4.4
97.06520	1.0
99.04465	1.0
101.02396	1.6
103.03960	0.4
105.07040	1.8
107.08601	1.7
109.02876	0.8
109.10178	1.3
111.08112	0.3
115.03937	0.4
117.07018	0.3
119.08611	1.5
121.10129	2.8
123.08089	0.4
123.11659	0.6
127.03948	1.6
129.05534	0.4
129.06987	0.3
131.08569	1.2
133.10161	0.8
135.11685	0.9
145.04971	0.6
145.10138	0.6
147.11737	1.0
149.09645	0.9
157.10229	0.5
159.11681	0.4
175.11168	0.6
184.07362	0.8
193.12283	0.7
198.34666	0.4
225.86998	0.4
236.15018	1.2
243.08382	2.1
267.16028	0.4
283.15140	5.0
284.15811	0.5
307.22784	0.6
339.17761	0.5
491.18994	0.5
491.26108	9.2
492.26657	1.1
501.23013	5.4
682.48962	0.5
719.27423	0.7
733.58673	0.8
751.42365	100.0
752.42688	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	751.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.2
55.01869	0.5
55.05519	1.1
57.03433	2.1
57.07088	0.9
58.06607	0.8
59.05006	0.5
61.02931	6.1
64.53222	0.4
64.91035	0.4
67.05179	0.7
67.05508	5.5
68.83478	0.4
69.03432	4.0
69.07078	1.2
71.01356	0.4
71.04994	1.3
73.02931	3.2
76.04283	0.4
79.05492	5.4
81.03416	4.2
81.07063	4.6
83.04967	1.0
83.08636	1.3
85.02911	5.9
85.45728	0.4
86.09707	0.6
87.04494	1.0
89.02282	0.4
91.03964	3.3
91.05482	3.4
91.81781	0.5
93.07053	5.1
95.04977	0.7
95.08608	3.6
97.02895	4.3
97.06541	1.0
99.04471	1.5
101.02402	2.3
101.02982	0.5
105.07055	1.9
107.04991	0.6
107.08594	1.9
109.02875	1.1
109.10181	1.5
111.08095	0.6
115.03966	0.6
117.07037	0.7
119.08618	1.4
121.06561	0.6
121.10152	4.5
125.00079	0.4
125.14420	0.4
126.44054	0.4
127.03954	1.2
131.08595	1.5
133.10155	1.4
135.11766	0.8
145.10155	0.9
147.11693	1.0
149.09677	1.8
157.10248	0.5
159.11690	0.7
175.52386	0.4
184.07462	0.8
185.04259	0.8
193.12215	0.6
203.05367	0.6
236.15019	1.4
237.15340	0.5
243.08376	2.2
283.15082	5.1
307.22736	1.0
396.60361	0.5
465.22720	0.5
491.26147	8.1
492.26685	0.9
501.22983	5.1
589.37567	0.6
687.24579	0.6
688.25824	1.2
719.27246	3.4
720.27612	0.7
733.57886	0.7
734.59229	0.6
751.42419	100.0
752.42792	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	751.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.1
55.01887	1.0
55.05512	3.5
55.57351	0.6
57.03445	2.9
57.07072	1.4
58.06608	2.0
61.02928	4.8
63.42402	0.6
67.05505	9.4
69.03423	3.2
69.07067	4.5
71.01373	1.1
71.04992	1.8
71.29788	0.8
73.02931	3.6
79.05488	6.6
81.03420	8.9
81.07051	6.5
83.05002	1.0
83.08625	1.5
84.26489	0.6
85.02907	4.8
85.06581	0.6
86.09728	2.2
86.17526	0.8
87.04477	1.3
91.03978	2.7
91.05475	6.9
91.05959	0.8
92.05850	1.0
93.07061	7.5
95.04962	1.0
95.08613	5.5
97.02900	4.3
97.06567	1.4
97.10196	1.6
99.04488	1.0
101.02396	0.9
105.07034	3.6
107.04945	0.8
107.08617	3.0
109.06572	0.8
109.10143	3.9
111.08112	0.8
117.07071	1.3
119.08588	4.7
121.06583	2.1
121.10176	1.9
123.11779	0.9
125.00053	1.4
127.03922	1.7
131.08597	1.0
133.10167	1.6
135.11737	1.6
136.12061	0.7
137.09669	2.2
144.10269	0.9
145.10202	0.9
147.08083	1.5
153.09120	0.9
165.09192	2.4
173.13307	0.9
184.07353	7.3
185.07863	0.7
185.52113	0.7
236.14905	3.7
237.15474	0.7
239.12924	1.0
243.08476	2.4
255.12149	3.3
299.14844	4.0
300.15250	3.8
311.14581	0.7
311.25714	3.7
312.26324	3.0
326.16217	0.8
473.19928	11.9
474.20050	1.0
519.22784	1.1
519.29285	4.9
520.29987	0.9
535.37506	0.8
536.36743	2.3
579.21704	0.8
693.83801	0.7
705.35846	1.0
715.47650	0.9
719.30334	0.8
732.57764	0.9
733.57703	1.4
751.42444	100.0
752.42688	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	751.5346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	3.3
53.97476	2.6
55.05513	19.9
57.03443	13.6
57.07077	64.6
58.06603	5.9
60.08136	2.7
61.02922	5.9
67.03552	2.5
67.05505	41.9
69.07067	22.5
71.08636	34.2
73.05267	2.9
73.33323	3.5
75.16498	3.1
79.05500	32.2
81.03442	6.7
81.07063	53.3
83.08617	17.6
85.02882	6.3
85.10192	18.8
87.04475	8.6
91.05479	41.2
93.07048	35.5
95.05005	3.3
95.08615	41.0
97.06553	3.0
97.10176	7.6
101.02845	3.3
105.07039	49.3
106.76477	3.2
107.08605	14.4
107.95789	2.7
109.10162	17.4
115.05521	3.1
117.07024	18.9
119.08584	40.6
119.09360	4.6
121.10139	15.0
123.11716	6.8
126.45135	2.5
128.06230	4.7
129.05513	3.9
129.07028	13.5
131.08563	22.6
133.10132	30.3
135.11668	16.9
142.07773	3.5
143.08549	11.0
145.10138	16.5
147.08078	4.2
147.11696	25.6
149.13275	7.9
157.10121	16.0
159.11688	18.9
161.13248	23.7
163.14848	3.2
171.11710	13.0
173.13252	8.8
175.11275	3.4
175.14857	10.6
183.11591	3.7
185.13287	12.3
189.12740	4.1
199.14751	5.1
213.16328	3.6
231.17482	2.8
231.21037	4.2
236.14952	19.1
239.23625	4.0
241.19485	20.3
259.20544	47.4
260.20859	3.9
313.27368	100.0
314.27655	6.5
315.23474	3.4
333.24219	37.8
349.21759	3.1
367.23065	4.7
459.26965	3.6
535.10217	3.3
571.47034	9.0
582.83386	3.2
589.48352	22.3
601.48969	3.8
679.48553	8.3
751.57971	3.9
752.56744	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	752.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.05502	0.7
56.91939	0.2
57.03430	0.5
65.03943	0.6
67.05499	0.2
69.03429	13.6
69.24243	0.8
69.24650	0.7
70.03747	0.4
70.06590	0.2
71.01356	0.3
71.04987	0.4
79.05489	0.4
81.03419	8.3
82.03745	0.3
83.04979	2.7
85.02910	1.9
85.06509	0.4
91.04970	0.3
91.05488	3.9
92.05808	0.3
95.04967	1.0
97.02892	4.4
97.06558	0.3
98.22637	0.5
99.04455	5.4
105.07005	0.3
105.55587	0.3
107.04960	0.4
109.02892	0.7
109.06441	0.2
111.04458	0.7
113.06003	0.8
115.03925	0.3
116.07046	0.3
119.04943	13.5
120.05252	0.7
123.04448	1.9
127.03898	1.5
131.04909	0.4
133.02798	0.4
133.06470	0.5
135.04436	0.3
137.05991	0.7
145.04938	0.3
147.04405	100.0
148.04745	6.9
149.04974	0.8
151.07458	0.3
161.05923	0.5
163.03873	0.7
165.05464	2.3
179.07045	1.0
185.05948	0.3
187.07590	0.3
197.08215	0.2
199.07556	0.3
215.06880	0.3
225.07628	0.9
227.07042	0.8
241.04999	0.3
243.06421	0.3
243.08636	2.9
245.08054	0.5
261.07480	0.5
291.08597	1.0
309.09668	22.3
310.09964	1.7
311.10092	0.4
325.09421	0.3
341.12332	0.9
359.13416	0.3
389.12402	0.8
407.13464	1.9
408.13602	0.2
487.16013	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01871	0.4
55.05514	0.5
55.15064	0.2
57.03434	0.3
65.03939	0.7
67.41499	0.2
69.03432	14.0
69.77949	0.4
69.78344	0.6
70.03761	0.4
71.01316	0.2
71.05009	0.3
80.05023	0.3
81.03422	9.2
82.03767	0.3
83.04981	3.1
85.02907	2.0
85.06538	0.6
91.05479	3.8
92.05810	0.3
95.04959	1.2
96.69981	0.2
97.02901	3.9
97.06549	0.3
98.03206	0.2
98.06027	0.3
98.22684	0.4
99.03838	0.3
99.04459	5.1
101.06006	0.2
103.05481	0.3
105.07025	0.4
107.04987	0.2
109.02892	0.6
109.35857	0.2
111.04436	0.5
112.46288	0.2
113.05984	0.8
116.07134	0.3
119.04947	13.8
120.05257	0.6
123.04431	1.0
127.03922	1.3
131.04921	0.3
131.07074	0.3
133.02867	0.4
133.06514	0.4
145.04959	0.4
146.86934	0.2
147.04411	100.0
148.04753	5.4
149.04915	0.4
151.07527	0.6
161.05963	0.6
163.03935	0.4
165.05481	1.6
171.08003	0.3
173.24138	0.2
179.06990	1.0
197.08177	0.3
207.06590	0.4
215.07024	0.3
225.07593	0.9
227.07042	1.0
243.08646	3.4
244.09055	0.2
245.07993	1.0
259.09793	0.4
261.09738	0.3
291.08655	0.7
295.08096	0.3
309.09683	15.0
310.09976	1.2
323.11154	0.2
341.12326	1.0
359.13547	0.3
389.12317	0.7
407.13440	1.6
752.29871	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.7
55.01872	14.8
55.05514	23.6
57.03439	13.9
57.07064	1.3
59.04995	4.0
61.02934	1.5
65.03951	2.1
65.34444	1.0
67.05508	26.0
69.03432	8.2
69.07073	8.9
71.01357	2.9
71.04996	7.7
73.02937	1.5
79.05013	1.3
79.05494	40.2
81.03421	42.3
81.07060	23.9
83.01353	8.0
83.04987	24.4
83.08623	16.1
83.12958	0.9
85.02915	11.7
85.06538	3.5
91.05482	23.4
92.05805	1.1
93.07047	44.2
95.04971	13.9
95.08614	15.5
97.02901	10.5
97.06519	12.6
97.10146	5.0
99.04483	5.3
105.04483	1.5
105.07040	13.9
107.04961	33.8
107.08597	23.7
109.02885	5.9
109.06519	14.7
109.10127	6.3
111.04433	20.7
111.08086	3.6
113.06015	1.4
115.05386	1.6
117.07018	15.9
119.04989	1.2
119.08585	17.0
121.06514	7.2
121.10143	15.8
123.04445	1.5
123.08080	12.5
125.05994	5.6
125.09612	3.5
127.03922	5.1
128.06207	1.5
129.05507	1.4
129.07001	4.9
130.07773	1.7
131.04926	1.6
131.08556	8.0
133.10130	4.0
135.04369	1.5
135.07999	5.7
135.11697	22.3
136.11995	1.2
137.09637	3.3
139.07541	1.4
143.08580	1.9
145.04933	1.1
145.06503	3.4
145.10133	28.0
147.08020	5.6
147.11743	1.6
149.09598	3.5
153.12753	13.2
155.08569	4.2
161.09644	2.5
163.11186	42.7
164.11539	1.5
173.04474	1.6
173.09653	7.7
181.12254	9.0
189.09145	3.5
189.11140	1.6
191.10643	10.6
209.11723	13.5
212.93581	1.1
221.96133	1.0
223.13283	10.4
227.12782	18.7
229.14371	1.9
241.14363	13.7
247.13240	1.8
265.14420	8.9
283.15408	88.8
284.15738	7.0
297.17050	3.4
315.18027	14.1
353.15869	4.3
381.20813	1.4
403.28052	1.1
409.39224	1.0
427.19702	5.7
455.24463	3.3
459.22296	8.7
473.25320	29.1
474.25723	4.1
491.26404	100.0
492.26736	13.1
505.28082	4.0
509.27286	1.4
523.29022	44.7
524.29169	5.2
617.29071	1.9
635.30701	6.1
653.31366	2.0
667.33533	9.4
668.33508	2.2
752.34998	2.3
753.32013	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.2
55.01875	13.4
55.05271	1.5
55.05514	14.6
57.03441	4.4
57.07065	1.8
58.06609	2.5
59.07421	1.1
60.08144	1.4
65.03931	2.3
67.05506	32.1
69.03432	1.2
69.07072	17.8
71.04996	2.6
71.08631	1.2
73.06570	1.1
79.05496	40.9
81.03423	8.9
81.07055	34.9
83.04986	8.6
83.08632	7.8
85.02903	2.5
85.06547	2.2
86.09652	0.9
87.04500	0.9
89.68989	1.0
91.05482	37.9
92.05827	1.9
93.07046	35.3
95.01324	3.9
95.04973	8.9
95.07983	1.4
95.08606	23.3
96.08942	1.0
97.02908	2.0
97.06529	26.3
97.10181	3.7
98.06869	1.3
98.23341	2.4
99.08102	2.4
103.05486	1.0
105.04593	1.2
105.07032	44.6
107.04960	13.0
107.08595	13.2
109.06525	4.3
109.10149	6.4
111.04470	1.1
111.08099	1.2
113.09681	1.1
115.05470	1.3
117.07043	9.5
119.08581	25.4
121.06485	2.7
121.10123	8.6
123.04401	1.2
123.08080	3.8
125.09687	1.3
129.07007	6.8
131.08562	11.7
133.06458	0.9
133.10129	24.1
133.11069	1.7
135.08060	1.8
135.11713	4.7
135.91716	0.9
137.09604	2.5
139.07501	1.0
141.06996	1.6
143.08543	3.9
145.06459	1.1
145.10141	10.2
147.11690	18.1
149.09607	5.5
149.13254	2.3
151.11220	1.7
155.08578	1.1
157.10204	1.2
159.11667	5.1
161.09599	1.6
161.13252	5.6
163.11165	4.2
165.09192	1.7
169.10190	2.6
171.11690	6.4
173.13174	1.7
177.12733	2.4
179.14293	6.8
183.11777	1.4
184.07333	4.9
187.11244	1.8
189.12773	2.7
197.13280	1.1
201.12860	1.0
207.13742	5.6
209.11769	4.4
219.17406	1.4
236.14905	5.9
239.18042	1.3
241.14302	1.3
241.19511	1.2
257.18991	2.9
259.20700	1.5
263.16357	1.0
275.20071	48.8
276.20410	2.0
279.15836	2.6
281.17480	27.3
282.17844	1.9
283.15384	2.5
293.21115	3.1
301.16400	4.3
311.25809	4.1
312.26172	0.9
349.23764	17.3
445.33374	1.1
459.56808	1.0
469.10806	1.4
519.36938	5.6
537.37421	5.6
555.36798	100.0
556.37231	16.3
562.40887	1.8
573.37952	1.7
734.58899	2.8
752.42047	5.0
753.36499	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.7
57.03432	13.7
57.07076	28.9
58.06602	9.3
59.72232	1.6
60.08176	1.8
65.03954	1.7
67.05510	16.9
69.03433	2.5
69.07088	8.7
69.82778	6.7
71.05003	3.1
71.08631	19.2
74.68649	1.7
79.05481	9.9
81.03419	47.6
81.03863	3.4
81.07056	18.8
83.04956	3.5
83.08629	17.9
85.02921	5.2
85.10190	8.9
86.09719	4.5
91.05480	11.1
93.07050	11.1
95.04983	15.7
95.08590	17.4
97.06531	2.7
97.10163	4.5
99.86289	2.2
105.07039	8.1
105.73928	1.9
107.04974	4.3
107.08579	5.0
109.10159	8.9
111.04490	2.3
111.08100	4.6
117.07092	2.1
119.08588	7.9
121.10179	3.4
121.87009	1.8
123.11709	3.8
129.06995	5.1
131.08582	7.1
133.10109	4.5
144.10179	3.4
145.10210	2.3
147.08022	3.6
147.11667	5.7
149.09615	3.4
157.10144	5.3
175.11197	6.0
184.07407	10.3
185.26738	1.8
193.12251	21.1
214.53940	1.9
236.14920	28.6
237.15215	2.4
239.23845	2.7
267.15915	88.9
268.16284	3.9
290.11484	1.9
313.27344	100.0
314.27701	8.1
329.58630	1.8
335.25641	3.2
474.37769	5.0
500.99905	2.2
505.38831	79.0
506.39496	8.5
508.75873	2.0
523.39069	3.4
532.64661	1.8
547.39813	4.3
555.40454	2.9
599.05310	1.8
665.40088	34.5
666.40192	6.6
693.39142	2.1
734.59113	22.7
735.59668	3.7
752.46155	13.4
752.59399	3.5
753.46704	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	752.6028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.8
55.05477	1.4
55.68050	0.4
56.50399	0.4
57.03435	5.4
57.07076	4.6
57.70964	0.5
58.06599	34.8
59.07381	9.8
60.08163	10.8
67.05505	4.2
69.04292	2.9
69.04697	1.1
69.07042	1.3
71.08640	2.7
73.02915	0.6
73.42944	0.5
75.04485	3.8
79.05495	3.1
79.89024	0.4
81.07058	2.7
83.08578	0.9
84.08098	0.9
85.02897	2.2
85.10139	1.7
87.04474	3.8
91.05441	1.7
93.07031	2.8
95.08611	3.8
97.06521	0.4
100.11241	0.5
103.03870	0.4
105.05505	0.8
105.06981	1.3
107.08539	0.8
109.10120	1.0
113.05950	0.8
119.08542	1.3
127.76000	0.5
130.08592	0.9
131.07069	2.1
133.10133	0.6
135.11722	0.5
144.10187	13.7
150.43353	0.4
162.11240	5.6
183.00874	0.6
200.12767	0.5
218.13832	1.7
234.26208	0.5
236.14914	95.2
237.15260	4.2
251.33716	0.5
313.27289	1.1
315.64932	0.5
412.37778	0.8
456.36835	5.6
474.37851	16.3
475.38440	1.9
478.35388	2.8
496.36420	5.2
734.59192	100.0
735.59418	20.4
752.60028	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.6
55.01872	1.6
55.05514	3.5
57.03441	2.9
57.07076	3.1
58.06595	4.5
58.12767	0.9
59.07402	1.0
60.08158	1.9
61.02931	6.5
61.30586	0.9
67.05515	7.8
69.03432	3.2
69.07075	3.7
71.01363	0.9
71.07352	0.9
71.08628	2.5
73.02937	4.1
79.05499	5.1
81.03439	3.0
81.07062	7.5
83.04994	0.8
83.08622	3.8
85.02911	7.3
86.09712	4.9
87.10017	0.9
91.03978	2.9
91.05485	4.4
92.42705	0.8
93.07039	4.8
95.04987	1.8
95.08597	5.2
97.02908	5.5
97.06541	1.6
97.10178	0.9
99.04471	1.4
101.02395	2.6
105.07058	2.3
107.04958	1.6
107.08608	2.8
109.02917	1.2
109.10177	2.4
111.04478	2.0
111.08072	1.0
116.06942	0.9
117.07046	2.5
119.08636	1.4
121.06532	1.3
121.10143	3.9
123.08086	0.9
125.00055	4.2
125.09663	0.8
127.03959	1.8
131.08615	1.7
135.08081	1.6
135.11731	2.7
136.32475	0.8
144.10202	1.9
145.10207	2.0
149.13374	0.9
163.11267	1.7
173.09734	0.9
184.07347	16.8
184.08907	1.0
184.30257	0.8
185.04228	0.9
185.07814	1.7
212.96802	0.8
223.13348	1.7
228.88367	1.1
236.14917	9.0
237.15282	1.7
243.08507	3.1
255.12257	1.8
281.13647	6.0
297.17072	1.4
299.14893	1.0
300.15582	0.8
311.26086	1.5
313.27505	3.5
335.25800	1.2
474.54092	1.0
493.35001	2.0
495.29199	5.5
499.21582	8.9
500.21915	1.1
734.58966	1.8
735.59497	4.5
753.43951	100.0
754.43945	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	754.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.9
55.01873	9.4
55.05516	24.9
56.96567	2.7
57.03436	7.6
59.05000	1.9
59.87791	1.9
64.39620	2.0
67.05515	29.4
69.03429	5.4
69.07061	9.9
69.33237	13.0
71.05006	3.9
71.08640	2.6
79.05498	54.4
81.03428	8.0
81.07063	29.7
82.70427	2.1
83.01361	3.6
83.05002	18.1
83.08623	14.6
85.02911	3.7
85.06552	3.3
86.09713	3.2
87.04453	2.6
91.05486	29.7
93.07047	37.1
95.04975	6.9
95.08605	16.1
96.08970	2.1
97.06531	5.9
97.10155	6.2
98.97583	20.7
99.04493	2.4
99.08111	4.4
100.11266	4.8
101.98544	2.1
105.07034	31.1
107.04961	12.2
107.08598	31.4
109.06538	4.8
109.10162	15.1
110.97563	4.3
111.08112	3.9
112.99138	5.9
115.05424	2.6
116.98633	6.5
117.07024	10.5
119.08578	22.9
121.06521	4.2
121.10126	11.3
123.08068	6.4
123.11735	3.0
125.09657	6.6
127.03969	3.1
128.98593	5.3
129.06995	3.0
131.00195	7.3
131.08569	10.8
133.10132	16.9
135.08087	4.8
135.11702	8.8
137.09613	2.5
143.00182	2.3
145.10121	16.9
147.11681	8.2
149.01244	8.1
149.09628	27.4
158.99684	8.2
159.11703	5.1
161.00987	2.4
163.11203	15.3
169.12137	3.2
170.99635	7.9
173.11803	2.6
173.13248	4.7
177.00748	8.5
177.12823	2.3
179.14258	2.6
184.07394	5.8
189.00754	5.8
189.11240	3.4
191.02284	2.3
209.11760	3.6
209.15404	4.1
219.01846	4.4
227.12819	7.3
257.19016	8.5
261.02908	3.8
275.20102	36.7
279.03891	6.2
283.15414	52.7
293.05420	7.5
321.04922	15.6
322.05304	8.9
349.23685	31.7
362.07629	2.4
437.09570	5.9
447.26895	2.8
455.10632	7.4
456.11261	5.1
532.28748	3.1
557.34747	100.0
558.34741	16.2
649.15283	2.3
694.33783	11.8
705.26569	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	754.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.0
55.01871	9.8
55.05513	12.8
57.03448	6.1
59.05001	1.4
63.73830	1.0
65.03937	2.4
65.80071	1.0
67.05497	21.3
67.05839	1.6
69.06716	2.1
69.07067	17.2
69.40157	2.3
69.40562	5.0
69.61967	1.0
71.05002	3.2
78.23830	1.2
79.05489	27.5
79.05916	2.3
81.03413	9.2
81.07053	36.5
83.01325	3.2
83.04983	7.1
83.08604	9.2
85.02899	3.3
85.06576	1.6
91.05477	34.3
93.07038	28.9
95.01334	4.9
95.04989	6.1
95.08607	17.1
97.02882	1.5
97.06530	12.7
97.10183	2.0
98.23309	2.4
99.04462	1.9
99.08096	1.4
105.07026	50.6
107.04937	13.5
107.08586	13.4
109.06514	7.8
109.10164	4.7
111.04425	1.7
111.08112	2.0
113.06101	1.2
117.07018	11.1
119.08575	22.2
119.09364	2.1
121.06481	2.7
121.10149	6.3
123.04436	1.4
123.08086	5.5
125.09643	1.5
129.07008	2.7
131.08568	12.9
133.10120	21.7
135.08076	1.5
135.11664	7.1
137.09622	2.2
138.06813	1.2
143.08504	2.0
145.06525	1.8
145.10117	13.9
147.11652	9.8
149.01236	2.5
149.09612	1.9
149.13280	1.9
151.11154	1.5
155.08478	1.5
157.10175	2.5
159.11714	5.3
161.13229	2.6
163.11162	8.8
165.09210	1.5
171.65475	1.2
173.09619	1.5
179.14296	6.9
181.12344	1.4
187.11244	1.5
191.10664	1.6
209.11719	3.3
219.17490	4.8
227.12726	1.4
229.19728	1.2
236.15059	1.4
257.19009	2.9
275.20029	42.7
276.20453	2.2
283.15396	40.1
284.15875	2.7
293.20956	2.2
349.23682	26.9
350.24329	1.6
419.23846	1.6
539.33514	1.9
557.34668	100.0
558.34943	12.4
694.32928	1.8
754.39642	3.3
755.41168	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	754.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.6
53.05128	1.7
53.88595	1.5
55.01870	6.4
55.05510	14.8
57.03434	14.0
57.07071	2.8
58.06605	2.2
67.05502	23.2
69.03419	3.8
69.07081	11.5
70.06572	2.2
71.04984	3.8
79.05064	2.9
79.05494	30.1
81.03420	10.6
81.07057	32.2
83.01338	3.6
83.04965	5.9
83.08611	7.1
85.02905	4.2
85.06528	2.8
91.05479	38.7
92.05821	1.8
93.07043	34.8
94.07403	2.0
95.04958	6.0
95.08590	17.1
97.02870	2.3
97.06535	5.8
97.10185	3.9
98.22615	3.2
99.04442	3.0
105.07025	33.6
107.04967	8.7
107.08592	16.3
108.02855	1.7
109.02876	1.8
109.06527	9.2
109.10149	7.8
111.08080	2.2
117.06998	13.0
119.08581	24.5
121.06510	3.8
121.10147	11.6
123.08074	7.5
125.09625	2.3
127.03895	2.7
129.06993	4.2
131.08574	18.6
133.10112	20.0
134.42668	1.6
135.08076	3.6
135.11716	8.3
137.09599	2.8
143.08589	3.0
145.10114	18.4
147.08029	1.8
147.11674	7.4
149.09583	3.9
151.11107	2.0
153.12703	2.2
157.10028	1.9
159.11710	5.9
161.13248	3.9
163.11171	11.1
169.10262	1.8
173.13301	3.7
177.12773	2.3
181.12178	1.8
184.07361	3.0
185.13258	2.5
201.16348	4.0
203.14366	2.7
204.65025	1.7
209.11688	2.6
219.17427	91.4
220.17819	5.4
227.12790	2.3
236.14833	2.2
257.19128	3.5
259.51541	1.7
267.15820	3.6
275.20044	36.0
276.20474	3.0
283.15393	24.4
291.19553	4.8
293.21072	4.3
328.14856	1.5
349.23660	15.3
365.23389	3.2
419.24017	3.7
518.19220	1.6
539.33990	2.0
557.34680	100.0
558.35284	11.8
672.26184	1.9
704.48499	1.9
754.40033	1.9
755.41309	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	754.4718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80880	1.8
53.03944	6.2
54.07738	1.9
55.01870	5.8
55.05512	31.3
57.03440	20.6
57.07074	6.8
58.06594	5.9
59.05001	3.0
59.07381	2.6
60.08162	4.6
61.02928	8.6
65.03954	3.9
67.05505	100.0
67.15921	1.9
68.05855	2.8
69.03423	6.8
69.04138	5.0
69.04556	13.7
69.07069	26.9
71.04998	5.5
71.08633	5.2
73.02916	4.4
73.09183	1.8
79.05494	62.9
80.05831	1.8
81.03423	18.0
81.07056	73.6
83.04981	8.0
83.08620	15.0
85.02905	8.8
85.06588	2.2
85.10188	2.6
85.52962	1.8
86.09695	18.3
88.05099	1.9
91.05479	41.4
93.07046	61.7
95.04967	25.1
95.08604	54.6
96.08930	2.2
97.02898	5.8
97.06518	4.1
97.10172	18.6
105.04549	2.4
105.07028	25.4
107.04952	9.9
107.08588	36.2
109.06520	4.1
109.10157	31.5
111.08066	3.4
113.06078	1.9
117.07017	19.6
119.08563	17.8
121.06527	4.0
121.10148	25.7
123.08060	4.0
123.11716	7.3
124.99996	11.3
125.09639	11.2
129.07010	5.2
131.08580	19.9
133.10115	16.2
135.08064	8.2
135.11694	16.7
137.09630	2.2
139.11185	2.2
141.78659	1.8
142.29076	1.8
143.08641	3.0
145.06456	3.4
145.10129	14.1
147.11700	7.9
149.09697	2.4
149.13254	9.8
155.10602	1.9
157.10201	3.2
159.11717	12.3
161.13229	5.1
163.07637	2.0
163.14758	2.9
169.10141	4.6
171.11568	2.9
173.11879	4.6
173.13301	6.7
177.12747	2.6
184.07339	60.5
187.11151	5.3
187.14812	2.8
189.11247	9.0
201.16467	3.2
205.12277	3.7
223.13287	52.9
223.15306	3.5
227.12782	9.6
229.14316	14.1
236.14925	12.0
237.15170	2.6
243.21187	4.3
255.12273	3.6
261.22098	17.2
277.21506	2.3
279.15863	3.5
283.15588	4.0
291.33264	2.1
297.16956	72.8
298.17285	4.6
301.16586	3.3
311.23450	3.3
313.27301	17.6
317.24741	4.2
329.24731	3.5
333.23962	2.1
335.25790	93.7
336.26154	7.4
429.33603	2.0
465.33612	2.8
489.35544	19.4
490.35724	3.4
493.35211	4.6
539.38184	5.7
557.38318	61.7
558.38324	7.8
575.39569	5.4
736.59906	6.7
754.44354	19.4
755.45264	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	754.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.9
55.05511	30.9
57.03426	11.2
57.07077	4.3
67.05505	64.1
69.07059	20.5
70.36858	5.4
70.37183	9.5
79.05071	7.0
79.05494	89.1
81.03415	5.3
81.07057	63.9
83.04974	18.0
83.08604	13.8
86.09705	6.4
89.29006	4.2
91.05477	100.0
93.07045	96.1
95.04993	23.4
95.08605	41.9
97.06548	10.0
97.10168	4.5
105.07032	88.2
107.04946	11.6
107.08597	29.1
109.06513	7.6
109.10122	12.7
117.07030	23.3
119.08578	53.2
121.06438	5.7
121.10134	22.8
128.06195	7.5
129.06973	21.1
131.08597	25.6
133.10139	36.6
135.11691	16.1
143.08554	13.7
145.09180	4.5
145.10065	22.6
147.08099	5.7
147.11700	55.6
149.13246	6.3
157.10089	10.4
159.11729	12.3
161.09636	4.5
161.13249	37.9
167.10289	4.5
169.10112	4.2
171.11696	26.5
173.13255	11.1
175.14850	14.6
184.07408	9.1
185.13246	8.9
189.12717	6.4
199.14848	5.8
207.13873	19.1
223.96132	4.6
231.21165	5.6
241.19513	29.9
259.20551	56.2
275.20328	4.9
279.15945	19.2
281.17474	71.6
315.23276	5.6
333.24234	44.1
334.24380	5.0
392.56534	5.1
447.32712	5.9
465.33163	4.9
536.16425	4.8
539.37256	63.2
540.37372	9.1
557.38739	24.3
755.40411	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	755.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
55.05505	3.2
57.03430	3.0
57.07067	3.5
58.06610	2.4
61.02927	4.5
67.05511	5.2
69.03421	3.0
69.07053	2.6
71.05002	1.6
71.08627	3.8
71.27950	1.5
71.28312	1.5
73.02924	3.4
77.72858	0.9
79.05482	4.1
81.03421	3.1
81.07053	5.5
83.08616	1.8
83.48923	0.9
83.85243	1.1
85.02888	6.0
85.10225	1.3
91.03972	3.8
91.05482	3.2
93.07064	4.8
95.04974	1.7
95.08622	5.8
97.02904	4.8
99.04463	2.6
101.02383	2.3
105.07040	3.4
107.04980	1.6
107.08601	3.3
109.10174	2.2
111.04447	1.6
117.07076	2.4
119.08569	2.6
121.10148	1.0
131.08585	1.3
135.11707	1.1
144.10193	1.2
145.10143	2.1
153.72664	1.2
158.17545	1.2
163.11205	3.0
184.07405	1.9
223.13335	1.5
236.14987	4.2
241.14326	1.6
243.08467	3.0
281.13718	5.4
313.27292	1.6
335.25787	1.1
497.30585	5.9
499.21429	11.6
566.65100	1.4
583.43195	1.6
705.50690	1.6
755.45349	100.0
756.45367	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	756.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	15.0
53.66644	3.6
55.01870	19.4
55.05508	38.5
57.03437	23.1
59.05016	6.5
61.02915	5.7
67.05511	63.3
69.03448	7.2
69.07065	26.5
69.70068	20.6
71.04971	9.1
79.05497	84.4
81.03420	14.4
81.07046	73.7
83.01326	13.0
83.04990	20.3
83.08625	24.1
85.02894	7.2
85.06554	5.0
85.58607	4.1
91.05479	98.3
93.07048	95.0
95.04977	11.8
95.08602	37.8
97.02901	8.1
97.06556	6.3
97.10153	12.1
99.04433	6.0
103.05520	5.4
105.07030	100.0
107.04967	14.2
107.08587	44.6
109.06522	14.9
109.10160	12.8
111.04465	4.2
115.05374	5.4
117.07014	34.2
119.07784	6.6
119.08582	80.0
121.06525	5.2
121.10165	29.1
122.06577	4.2
123.08086	14.2
125.09672	7.4
128.06236	5.1
129.06998	22.4
131.08592	44.3
133.10129	55.1
135.08083	5.6
135.11696	35.9
143.08560	17.1
145.10147	44.4
147.08046	7.7
147.11688	52.1
149.13243	9.0
157.10138	15.4
159.11653	21.6
161.13229	28.2
163.11206	38.3
171.11707	16.3
172.85292	4.4
173.13274	16.8
175.14804	11.9
181.12279	5.1
185.13258	13.2
189.11145	7.8
199.14804	9.0
209.11760	14.5
213.16417	5.6
227.12730	22.0
231.21021	8.7
231.32271	4.4
241.19470	32.4
242.33923	4.1
257.19043	6.9
259.20575	93.9
260.20859	8.8
283.15417	86.9
293.85754	4.8
295.20279	4.9
297.22205	13.0
315.23227	9.6
333.24252	66.2
334.24387	6.1
421.30771	7.0
431.29462	6.4
449.30228	12.2
467.31808	5.9
523.34216	5.6
541.35236	84.4
542.35394	13.2
559.36133	19.4
651.76727	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	3.3
53.03947	3.0
55.01877	2.9
55.05513	16.9
57.03442	10.6
57.07077	2.3
58.06593	3.7
59.05012	1.2
60.08158	1.4
61.02927	5.0
65.03943	2.2
67.05504	39.2
68.35310	0.9
69.03445	1.7
69.07074	8.3
69.51612	4.5
71.01347	1.8
71.04990	1.6
71.08616	1.1
73.02927	2.2
79.05492	26.2
81.03419	4.4
81.07056	41.4
82.07388	0.8
83.04980	2.6
83.08617	10.1
85.02924	3.1
85.06557	2.3
86.09722	1.7
91.03948	2.3
91.05476	27.0
92.05858	1.3
93.07040	33.6
94.07360	1.0
95.04971	4.8
95.08607	27.1
97.02911	4.1
97.06541	3.5
97.10169	2.5
99.00803	15.2
99.04509	1.3
99.08105	1.9
103.05466	1.7
105.07027	20.9
106.07390	0.9
107.04960	5.8
107.08588	19.5
109.02872	7.8
109.06529	3.7
109.10157	13.3
111.04456	0.8
111.08064	4.6
115.03944	3.5
117.07038	6.1
119.08575	11.7
120.18204	0.8
121.06512	5.8
121.10136	12.4
123.04480	1.2
123.08101	1.3
123.11694	4.9
125.09649	1.0
125.79926	0.9
127.03927	2.3
128.06207	1.7
129.07001	1.5
130.91470	0.8
131.08575	6.1
133.10123	32.3
134.10510	1.0
135.08066	2.0
135.11684	8.2
137.05971	1.4
137.09616	1.7
137.13336	0.8
139.07570	2.1
143.08534	4.1
144.10258	2.0
145.10138	5.4
147.08014	1.0
147.11673	4.9
149.13243	3.9
151.11189	11.3
159.11719	3.8
161.09639	14.5
161.13287	3.5
162.10007	1.0
162.11313	1.2
163.11209	1.7
163.14880	2.5
165.09038	1.2
165.12807	1.0
171.08066	2.7
173.13271	3.3
175.14772	1.2
179.10654	8.8
179.11862	0.8
184.07358	8.7
187.14845	1.5
189.09119	8.0
189.11244	0.9
197.11790	2.7
207.10141	2.8
215.17809	0.9
218.87006	0.8
225.11220	15.1
230.75246	0.8
236.14923	6.3
243.12344	4.5
243.17516	0.8
243.21118	5.2
259.20645	0.9
260.32227	0.8
261.22137	15.8
262.22522	1.2
277.21664	1.1
281.13879	3.8
299.14880	100.0
300.15335	6.5
315.23254	2.0
317.24756	3.5
334.18512	2.3
335.25793	77.2
336.26227	5.9
439.31998	1.4
449.30566	1.4
457.32388	1.2
458.98044	1.0
467.31549	4.3
474.37781	1.4
485.32639	1.9
513.35510	2.1
531.36566	2.1
541.34985	5.9
559.36206	32.7
560.36749	5.1
572.41547	5.9
577.37000	1.6
757.41931	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00318	2.3
53.03946	4.4
55.01878	4.0
55.05507	23.9
55.84381	1.3
57.03434	16.5
57.07059	2.7
58.06599	3.3
59.05000	2.9
61.02927	3.8
65.03937	3.1
67.05505	53.8
69.03421	4.3
69.07067	11.6
70.23258	2.7
71.04994	3.4
73.02896	1.3
76.19812	1.2
79.05489	33.9
81.03423	4.3
81.07055	56.9
82.07373	1.8
83.04991	4.4
83.08614	16.4
85.02915	4.6
85.29755	1.2
86.09718	5.3
91.03941	1.4
91.05482	31.1
91.06013	2.3
93.07043	42.6
94.07386	1.6
95.04949	7.3
95.08608	37.1
97.02910	5.5
97.06541	4.3
97.10180	3.7
98.23275	1.6
98.98435	1.4
99.00810	16.7
100.68852	1.2
102.88780	1.4
103.05437	1.9
105.07028	30.0
107.04936	6.6
107.08588	28.1
107.09289	1.8
108.86110	1.1
109.02872	10.8
109.06535	3.8
109.10148	21.1
111.04413	1.7
111.08078	5.6
113.09663	1.5
115.03958	1.4
117.07009	7.6
119.04937	1.5
119.08582	21.7
121.06496	7.1
121.10133	16.9
123.04418	2.1
123.08083	1.6
123.11720	6.7
125.00005	1.8
127.03928	3.1
128.06213	2.0
129.07007	2.7
131.08542	11.8
133.10124	44.3
135.08034	2.5
135.11696	11.7
137.09618	2.1
137.13237	2.2
139.07527	2.6
143.08553	5.4
144.10216	2.1
145.10146	6.4
147.11719	3.5
149.09659	2.2
149.13260	7.2
151.11203	10.1
159.11716	5.1
161.09612	18.9
161.13254	3.4
163.11176	1.7
163.14777	2.4
171.08081	4.5
171.11783	1.5
173.13278	4.8
175.14799	2.0
179.10712	9.7
184.07365	16.6
187.14865	2.2
189.09059	10.7
197.11725	3.7
207.10172	3.5
225.11189	13.6
236.14972	6.6
243.12343	3.8
243.21120	4.4
261.22104	20.5
262.22473	1.4
273.84518	1.4
277.21521	1.4
279.23148	1.7
281.13840	4.3
283.15295	1.7
286.51358	1.3
299.14880	91.0
300.15268	6.5
315.23199	3.1
317.24747	3.1
335.25793	100.0
336.26071	11.3
387.92068	1.2
439.31982	1.7
449.30502	1.8
467.31277	3.4
485.32730	2.3
497.01651	1.3
513.36243	1.4
541.35187	6.7
559.27686	2.8
559.36279	51.7
560.36261	6.2
572.41766	2.9
577.36951	2.3
667.39667	4.8
756.40790	6.5
757.42383	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	756.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.1
55.01864	5.9
55.05511	18.7
56.96562	2.6
57.03428	9.3
60.66283	2.0
65.03958	2.0
67.05502	39.9
68.21348	2.4
69.03423	4.5
69.07066	16.0
69.86002	5.1
69.86398	3.6
71.04985	3.8
71.08640	16.8
79.05492	41.9
81.03418	13.3
81.07063	47.6
83.01331	4.6
83.04973	9.6
83.08614	13.7
85.02910	5.9
85.06538	3.0
86.09705	4.9
91.05484	33.5
93.07043	47.0
95.04961	10.6
95.08605	27.2
97.02867	4.0
97.06520	8.9
97.10190	4.2
98.97610	6.0
99.08104	13.9
104.77770	2.6
105.07024	24.0
107.04964	7.2
107.08595	27.1
109.06510	7.2
109.10157	14.7
111.04420	2.2
111.08072	3.7
112.99169	2.3
113.09633	2.1
115.84282	2.2
116.98615	2.2
117.07005	8.5
119.08582	17.1
121.10134	18.7
123.08067	6.2
123.11723	2.8
124.99991	3.0
129.06999	4.6
131.00160	4.3
131.08546	10.2
133.10144	12.9
135.08025	4.0
135.11659	23.2
137.09604	4.0
141.09148	2.5
143.08536	3.3
145.06479	2.4
145.10107	11.5
147.11658	8.1
149.09650	2.6
149.13266	6.2
151.11180	8.3
153.12813	2.5
157.10135	5.1
158.99596	2.3
159.11748	4.5
161.13234	6.9
163.11172	13.7
170.99663	3.0
171.11780	2.5
173.13220	3.0
177.00713	3.3
179.14317	46.8
181.12250	2.5
184.07304	19.0
185.13184	2.4
189.00684	3.1
195.13736	2.5
200.65074	2.3
209.11780	5.8
217.15981	2.9
221.19182	2.5
227.12845	5.0
236.14996	2.4
241.19608	2.7
253.14613	2.7
259.20505	6.3
267.15842	4.0
269.17258	3.8
277.21613	37.2
278.21933	2.9
283.15393	39.8
284.15756	3.1
291.19498	2.7
293.05402	3.3
295.22720	4.7
321.04965	7.7
335.25769	3.0
350.53812	2.6
351.25241	26.5
352.25638	3.1
422.16541	2.5
431.59885	2.3
446.05396	2.5
455.10730	4.9
541.35211	6.2
559.36243	100.0
560.36444	13.6
666.38861	4.4
693.33405	4.3
745.80493	2.3
756.42145	2.9
757.40222	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	756.5769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.3
53.69963	1.2
54.78902	1.2
55.01880	1.2
55.05518	3.1
56.73572	1.1
57.03440	5.1
57.07070	1.4
58.06603	39.9
59.07384	10.1
59.55202	1.2
60.08164	10.2
67.05511	9.9
68.71645	1.0
68.99503	2.5
68.99900	8.7
69.07076	3.1
74.92344	1.1
75.04487	4.3
79.05497	9.2
81.07062	7.7
83.04247	1.1
83.08609	1.8
85.02920	3.5
85.10220	1.4
86.09707	3.4
87.04478	3.8
91.05485	4.1
93.07051	7.7
95.08640	5.7
96.63859	1.4
100.11264	1.5
102.05584	1.5
105.07026	1.9
107.08582	2.9
113.98154	1.3
119.08586	1.5
121.10179	2.0
122.99491	1.3
125.00056	2.5
131.06996	1.6
131.08727	1.3
131.61238	1.2
144.10204	14.1
151.86258	1.3
157.96083	1.2
162.11292	6.2
184.07352	8.2
213.53157	1.3
218.13869	1.6
227.01501	1.3
236.14926	100.0
237.15292	4.0
478.35187	6.7
496.36249	23.5
496.42676	1.9
497.36850	4.5
599.50562	1.9
756.57611	82.9
757.57806	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	757.2183
Annotation	Kaempferol 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.03943	0.4
55.01871	0.4
55.05510	0.3
57.03434	1.9
59.04987	0.2
61.02932	0.8
65.03918	0.2
68.99797	0.6
69.03426	1.5
71.04993	9.8
71.29657	0.2
71.30054	0.2
72.05309	0.2
73.02914	0.5
75.04469	0.9
81.03420	0.9
83.04990	1.6
85.02905	18.1
86.03248	0.2
87.04465	0.4
91.03951	0.2
95.04929	0.2
97.02895	2.0
99.04456	0.4
103.03989	0.1
105.03401	0.2
107.04956	0.4
109.02872	1.0
111.00791	0.7
111.04464	1.0
121.02866	2.5
127.03899	1.5
129.05475	4.2
133.02867	0.5
137.02309	0.8
141.24683	0.1
145.04967	1.4
145.06062	0.2
145.06454	0.1
147.04433	0.6
147.06505	2.3
153.00671	0.3
153.01825	3.0
157.06538	0.4
163.06036	0.5
165.01826	1.3
165.07309	0.1
171.04393	0.2
183.02908	0.7
185.05957	0.5
203.07010	0.2
213.05467	1.1
231.06503	0.6
241.04933	0.8
243.06474	0.2
258.05231	1.0
259.05969	0.3
269.04327	0.2
287.05481	100.0
288.05820	4.8
299.05539	0.5
301.08859	0.2
311.05536	0.2
325.06973	0.2
329.06494	1.1
329.10693	0.3
329.50540	0.1
347.12177	0.2
353.06412	0.3
395.07706	0.3
413.08807	0.2
431.09705	0.2
447.12439	0.9
449.10568	1.2
479.15121	0.5
549.91162	0.2
725.22406	0.7
757.25336	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.01878	1.5
55.05523	2.4
55.42912	0.6
57.03424	3.2
58.66166	0.7
61.02922	4.4
62.91592	0.6
62.99310	0.6
67.05499	4.6
69.03426	3.8
69.07069	1.6
69.96057	2.7
71.01378	1.1
71.05006	2.7
73.02918	4.6
79.05508	6.5
79.64574	0.6
81.03423	6.5
81.07048	5.1
83.01366	0.8
83.04990	3.4
83.08622	1.5
84.04520	1.9
84.91193	1.4
85.02904	6.4
91.03965	3.1
91.05476	6.0
93.07036	5.6
95.04984	2.7
95.08622	2.5
97.02896	5.8
97.06554	2.8
99.04490	1.1
101.02404	2.4
105.07072	2.2
107.04984	2.7
107.08611	3.7
109.02885	1.0
109.06531	1.1
109.10207	1.9
111.04430	1.4
112.04015	1.5
117.07061	3.1
119.08611	2.9
121.06528	1.4
121.10149	1.7
123.08111	1.9
125.06033	0.9
125.09677	1.0
127.03950	2.3
130.04993	1.1
131.08594	1.6
133.10121	0.8
135.08095	1.6
135.11720	3.6
137.09641	1.0
141.60556	0.7
145.06471	1.0
145.10130	4.6
147.08115	1.2
149.09689	1.0
153.12794	1.6
155.08607	0.8
163.03870	0.8
163.11198	6.5
165.09109	0.8
165.96614	0.7
173.09692	1.9
181.12228	1.1
189.09236	0.9
196.06140	1.2
209.11829	1.8
223.13312	1.0
225.99008	0.9
227.12823	0.9
241.08232	2.1
241.14415	1.0
243.08321	3.5
249.11327	0.8
281.13553	6.8
283.15524	2.8
284.15817	1.1
287.05496	1.9
295.15063	0.8
337.16290	1.7
354.57462	0.7
355.15488	2.2
417.16943	0.8
463.23618	1.0
467.18906	11.3
467.24866	1.0
468.19531	1.3
499.21469	11.1
531.24255	3.3
543.29742	0.8
563.28589	1.0
588.58838	0.7
725.33533	21.4
726.34052	2.4
739.34979	0.9
757.36157	100.0
758.36548	13.7
779.23816	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
55.01866	0.8
55.05515	2.2
56.39005	0.3
57.03434	1.5
57.07078	0.3
61.02926	3.3
65.03932	0.5
67.05502	6.2
69.03434	2.5
69.07069	3.4
71.01365	0.5
71.05005	0.5
71.08617	0.3
73.02923	2.9
79.05492	6.8
81.03424	2.3
81.07054	5.7
83.01343	0.3
83.04979	1.3
83.08621	1.0
85.02901	4.1
85.06535	0.4
86.09695	0.9
87.04460	0.4
91.03954	2.1
91.05477	6.2
93.07043	5.4
95.01333	0.6
95.04987	1.6
95.08600	4.6
95.09157	0.3
95.56847	0.3
97.02884	3.5
97.06530	1.1
97.10196	0.5
99.04459	0.6
101.02374	1.4
105.07034	5.0
107.04954	1.5
107.08589	2.6
109.02905	0.7
109.06525	0.9
109.10154	1.3
111.04475	0.4
111.08128	0.5
115.05434	0.3
117.07001	1.7
119.08571	3.8
121.06507	0.4
121.10148	1.4
123.08119	0.5
123.11728	0.4
124.99995	0.6
127.03934	1.1
128.06204	0.4
129.07018	1.5
131.08568	2.1
133.10114	2.5
135.08061	0.6
135.11720	1.0
143.08589	1.1
145.10120	2.6
147.08125	0.3
147.11667	2.3
149.09645	0.8
149.13286	0.5
153.12779	0.3
157.10202	0.3
159.11693	0.9
161.13252	1.0
163.11230	0.8
169.10255	0.4
171.11682	1.4
179.14311	0.8
184.07343	3.5
185.04219	0.6
189.12813	0.5
209.11624	0.4
227.12663	0.3
243.08423	2.5
247.13091	1.0
253.40025	0.3
261.22110	0.3
275.20074	0.5
283.15466	1.0
299.15094	0.5
301.16251	0.4
303.15820	0.5
315.19342	3.5
335.25848	1.6
371.21967	0.9
439.19489	0.3
465.20953	8.7
466.21457	0.9
533.27142	7.2
534.27777	0.8
543.36890	1.0
561.38184	0.5
739.42810	0.5
757.41315	100.0
758.41675	17.1
773.88892	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.7
55.01874	19.5
55.05507	24.0
57.03440	33.5
57.07074	3.5
58.06585	4.4
59.04655	2.6
59.05006	5.6
65.03942	4.0
67.05505	38.4
69.03441	12.9
69.07065	14.4
71.05006	5.6
73.02914	6.7
79.05492	81.2
81.03423	31.0
81.07056	51.5
83.01351	16.0
83.04989	25.8
83.08614	11.9
85.02909	10.6
85.06546	5.0
87.02372	3.2
91.03945	4.9
91.05469	91.7
92.05822	6.3
93.07046	67.9
95.04965	24.0
95.08614	19.9
97.02897	12.9
97.06548	16.6
97.10159	9.4
98.22623	6.5
99.04484	4.3
102.83994	2.9
103.05486	3.9
105.07035	21.7
107.04958	25.4
107.08601	51.2
109.02902	5.0
109.06529	21.4
109.10171	13.6
111.04467	5.3
111.08106	5.7
115.05462	10.3
117.07018	65.9
119.08580	29.5
121.06512	11.3
121.10151	10.2
123.08075	12.0
125.06013	9.3
125.09669	19.7
127.03925	3.9
129.06999	6.7
130.07893	3.5
131.04861	3.0
131.08575	11.0
133.06482	5.2
133.10121	9.4
135.08055	82.8
135.11710	10.7
136.08417	4.2
137.05998	5.3
137.09595	22.6
141.06981	5.4
143.07047	6.7
143.08513	5.0
145.06467	8.0
145.10091	24.6
147.08032	7.4
149.09683	3.9
153.09149	23.8
153.12749	4.7
155.08542	4.7
157.10167	4.5
159.08069	9.4
159.11731	5.0
161.09621	4.5
163.07567	13.5
163.11194	32.5
164.11603	3.7
165.09180	4.4
173.09657	11.4
181.08583	8.8
181.12239	6.0
184.52155	2.8
191.10654	6.0
197.13287	4.9
199.09682	18.5
205.12131	4.4
209.11765	8.8
215.14339	8.9
218.51558	3.3
227.12788	9.6
236.14923	9.4
243.13815	6.5
255.12273	70.3
256.12735	4.1
261.14844	8.7
279.16034	4.3
283.12238	6.2
283.15381	100.0
283.18350	6.3
284.15720	6.4
289.17902	18.2
307.19028	3.9
335.18591	10.2
353.19608	35.1
355.15225	3.5
381.22931	4.6
409.22195	8.8
428.26447	3.8
441.17508	3.2
460.66428	3.0
463.23257	96.9
464.23730	9.9
467.18671	4.9
500.21365	3.8
519.60376	3.1
543.29572	21.8
544.30109	3.9
561.30560	63.4
562.30585	6.7
726.33496	12.5
727.33917	4.6
758.36829	53.8
759.37036	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	758.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.9
53.15857	1.7
55.01860	8.4
55.05515	29.2
57.03440	25.2
57.07071	4.8
58.06603	2.9
60.08160	2.6
61.02925	7.6
61.54718	1.9
62.58263	1.7
65.03934	4.7
67.05505	91.7
69.03424	5.5
69.07069	26.4
71.04990	7.6
71.08632	2.1
73.02911	1.9
74.91227	1.8
79.05494	73.4
81.03416	7.6
81.07054	78.2
83.04977	17.3
83.08627	15.2
85.02909	9.8
85.06539	6.8
86.09701	6.6
91.03947	2.4
91.05468	48.5
93.07045	84.2
95.04971	18.4
95.08606	59.2
97.02886	10.8
97.06531	11.8
97.10178	7.3
98.23386	4.5
98.71821	1.9
99.04447	6.9
99.08096	2.3
103.05449	3.4
105.04501	3.7
105.07025	33.3
107.04963	17.9
107.08598	40.5
108.09016	1.7
109.02934	2.8
109.06519	4.6
109.10149	31.5
111.04430	14.7
111.08080	5.6
113.06049	3.0
115.05450	3.2
116.06197	2.2
117.07023	22.1
119.08577	28.8
120.08943	1.8
121.06488	4.2
121.10136	30.3
123.04418	2.3
123.08067	5.8
123.11688	6.4
125.00011	4.8
127.03900	3.1
129.07018	6.3
130.07808	2.6
131.08575	23.2
133.06479	2.7
133.10133	18.3
135.08076	6.6
135.11668	26.9
137.09602	3.9
137.13200	2.0
139.11160	3.5
143.08585	4.7
145.06477	3.1
145.10121	26.3
147.08054	3.7
147.11636	11.8
149.09612	6.9
149.13237	9.5
151.11188	3.7
153.12732	3.2
155.08568	3.8
157.10133	2.7
159.08061	3.5
159.11674	10.5
161.13310	4.3
163.11160	19.8
163.14804	3.7
169.10031	2.6
171.11717	4.7
173.09598	9.1
173.11862	1.9
173.13246	6.8
175.11279	3.0
175.14879	4.7
184.07347	25.9
185.13193	3.3
187.14729	2.4
191.10687	6.3
193.36258	1.9
199.11327	2.4
209.11703	22.5
209.13322	2.5
210.71977	2.5
215.18005	2.2
227.12793	8.3
229.43658	2.7
236.14911	4.4
243.21162	8.7
245.13528	2.1
253.14333	5.3
257.19073	2.1
259.20770	3.5
261.22144	16.9
273.21991	2.0
279.23120	2.1
283.15387	100.0
284.15793	5.6
301.16443	5.5
317.24887	2.4
333.24191	2.2
335.25784	97.1
336.26102	6.4
366.68616	2.0
415.30087	3.7
433.30945	6.8
451.32101	15.4
469.33066	10.7
505.21210	2.5
507.34332	2.1
515.37451	2.9
525.35980	15.6
543.28668	4.3
543.36792	81.5
544.36969	8.6
561.37592	14.5
736.88837	2.0
737.24432	2.1
758.42816	3.2
759.41516	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	758.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70557	1.7
53.03937	4.5
55.01875	9.8
55.05513	26.7
57.03440	24.2
57.07079	3.4
61.02913	5.6
65.03938	3.7
67.05505	100.0
68.05833	2.3
69.03427	3.9
69.06737	2.0
69.07072	23.0
69.46312	1.6
71.04991	5.8
71.08618	1.7
73.02916	3.1
79.05493	76.9
80.05849	1.5
81.03416	12.3
81.07057	82.7
82.07410	2.4
83.01310	2.1
83.04980	21.2
83.08620	11.9
85.02906	11.0
85.06524	4.9
91.05477	50.6
93.07043	86.7
94.07349	3.0
95.04969	21.7
95.08611	54.2
96.08932	3.0
97.02913	10.4
97.06525	10.3
97.10155	5.8
98.23396	3.0
99.04462	4.0
103.05434	2.8
105.04531	2.2
105.06377	2.4
105.07030	26.7
107.04961	17.0
107.08592	40.4
109.02897	2.1
109.06519	4.8
109.10157	27.0
111.04455	15.2
111.08073	4.9
113.06010	1.9
117.07020	19.9
119.08575	25.9
121.06499	4.8
121.10144	35.2
123.04420	2.2
123.08074	5.2
123.11703	7.2
125.06019	1.8
125.09614	4.3
128.06229	1.9
129.06975	6.6
130.07759	2.3
131.08556	19.7
133.10118	17.8
135.08057	2.9
135.11700	25.9
137.09590	4.3
137.13348	2.2
143.08540	2.7
145.06467	3.1
145.10115	25.8
147.08028	4.2
147.11656	10.1
149.09618	5.2
149.13304	7.6
151.11230	4.9
153.12752	6.2
155.08557	5.8
157.10103	3.9
159.11638	8.9
161.09616	3.2
161.13217	8.3
163.11172	23.9
163.14818	3.4
171.11726	2.0
173.09636	7.3
173.13187	7.5
175.14844	3.4
179.10815	1.7
181.12207	4.2
183.11658	2.2
184.07278	9.0
187.14899	3.3
191.10674	8.6
192.23314	1.8
197.13286	2.2
209.11703	23.1
227.12828	10.0
229.14476	4.1
243.21133	5.2
253.14362	2.9
259.20493	1.7
261.22162	14.5
283.15402	67.7
284.15771	4.8
301.16452	21.1
307.22668	3.6
313.21295	2.1
317.24707	4.0
335.25803	92.0
336.26099	6.6
379.26770	1.8
433.31195	3.4
437.51758	1.6
451.32117	10.0
468.11392	1.7
469.33075	6.3
507.34210	2.5
515.37006	2.7
525.35675	10.3
543.36761	67.7
544.37311	9.0
561.37915	23.0
759.42230	2.5
788.36517	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.6
55.05517	23.8
57.03437	12.9
57.07066	7.7
58.06590	4.8
59.04990	4.2
60.08155	5.8
61.02923	4.7
62.26759	1.9
62.49085	1.8
67.05511	22.3
69.07072	22.2
71.04992	1.9
71.07372	2.0
71.08630	4.5
71.27518	2.8
79.05496	18.5
80.05845	1.8
81.03415	8.4
81.07064	23.5
83.01350	6.3
83.04992	10.6
83.08625	23.1
83.18055	1.7
85.02908	5.5
85.10183	2.3
86.09709	19.2
91.03970	1.8
91.05474	14.7
93.07036	18.9
95.04974	3.9
95.08607	17.9
97.02907	3.8
97.06516	2.8
97.10161	9.6
98.98468	3.1
99.08114	2.0
105.07015	5.4
107.04959	7.5
107.08607	14.0
109.06516	5.6
109.10165	8.4
117.07041	5.8
117.46910	1.7
119.08597	6.2
121.06477	2.6
121.10141	13.0
123.08054	5.4
123.11701	2.4
125.00027	14.1
131.08638	2.5
135.11732	11.1
144.55276	2.0
145.10133	8.1
147.08038	2.0
147.63872	2.0
163.11212	17.6
173.09630	2.2
181.12209	2.0
184.07353	60.5
185.07697	6.2
191.10648	2.7
209.11739	6.8
219.17436	2.7
227.12764	2.9
236.14830	9.8
277.99780	2.1
279.26776	2.9
283.15414	100.0
284.15747	6.5
292.35861	1.9
351.14230	2.8
353.30508	73.8
354.30823	6.4
383.06335	2.0
561.41473	44.9
562.41669	5.7
758.58740	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	758.5402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01885	4.3
55.05511	12.0
57.03438	3.2
57.07074	6.6
58.06581	1.6
59.04981	2.2
60.08156	0.9
65.43926	0.5
67.05503	7.9
68.05803	0.6
69.05404	4.6
69.07066	11.9
71.01334	1.0
71.04975	1.1
71.08643	4.8
79.05495	8.2
81.03425	6.6
81.07060	8.1
83.01343	4.9
83.04978	5.4
83.08145	0.9
83.08616	13.2
85.02888	2.6
85.10175	2.0
86.09716	2.8
88.56796	0.5
91.05484	5.7
93.06471	1.0
93.07041	11.9
95.04972	2.9
95.08611	4.6
97.02901	1.4
97.06543	3.1
97.10170	6.6
99.04439	0.7
105.07041	4.5
107.04960	4.9
107.08595	7.7
109.06528	3.9
109.10152	1.8
111.04458	1.2
111.08102	1.2
111.11682	3.1
117.07035	4.0
119.08578	4.4
121.06485	1.5
121.10146	4.3
123.08028	3.8
124.07054	0.5
124.99979	1.5
125.05977	1.1
125.09635	0.8
125.13278	1.1
129.07043	0.9
130.07750	1.0
131.08559	2.5
133.10156	1.8
135.08035	0.8
135.11699	8.7
144.10196	0.7
145.10136	8.2
147.08105	0.8
149.09645	0.9
151.11208	0.9
153.12788	3.8
155.08557	1.1
163.11179	14.8
165.03459	0.5
173.09624	2.4
181.12196	3.1
184.07343	8.8
191.10695	2.6
209.11728	7.6
227.12753	6.7
236.14917	2.7
283.15396	100.0
284.15808	4.4
301.16397	1.7
315.58463	0.7
427.19626	0.7
445.20679	1.1
565.72705	0.6
586.45319	3.4
587.46271	2.2
758.58459	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	759.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	8.2
57.77338	0.5
59.90869	0.5
69.36611	3.0
70.29099	0.6
71.95248	0.7
74.03049	0.5
74.97128	0.5
84.96030	5.5
85.02895	0.9
98.97583	57.5
108.58209	0.6
110.97565	24.7
112.99102	1.3
116.97823	1.3
116.98624	22.6
124.99100	1.6
128.98608	23.6
131.00172	1.3
134.99646	3.9
140.00096	0.6
140.98593	5.5
143.00179	10.9
146.99641	10.7
152.00153	0.7
152.98569	3.1
155.00165	1.1
158.99660	27.8
159.70450	0.6
161.01234	8.5
165.00699	0.9
170.99652	41.0
171.99942	1.0
172.95233	0.6
173.01228	0.8
174.99255	0.8
177.00696	16.6
179.02252	1.1
182.99649	18.6
189.00710	36.3
190.01166	0.9
194.99640	2.0
195.01741	1.4
201.00706	53.5
202.01001	1.6
203.02322	0.8
207.01773	2.8
209.72177	0.6
213.00787	4.0
219.01768	43.6
220.02110	1.0
224.02475	0.9
231.01772	6.6
237.02823	21.6
238.03268	0.7
243.01784	23.0
254.99400	2.2
255.03906	2.2
261.02820	100.0
262.03229	2.9
273.00323	2.3
273.02856	7.1
279.03879	51.4
280.04315	1.5
291.03897	15.6
292.04163	0.6
297.04916	1.6
302.05548	1.7
303.03967	1.2
309.05005	1.2
321.04907	32.1
322.05045	0.9
333.04947	4.7
345.04886	0.7
351.05945	8.8
363.05930	1.4
381.07022	17.2
399.08118	13.9
400.08505	0.8
417.04700	81.2
418.05139	3.8
435.05844	11.0
441.09161	85.8
442.09610	4.9
453.09137	2.0
458.07394	1.3
471.10086	2.9
479.04654	0.8
501.11209	5.2
525.11127	0.9
543.12378	2.5
561.13336	0.7
686.39557	0.6
723.18774	2.3
724.19092	0.7
757.83075	0.6
759.22797	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.392
Annotation	Claudimerin A
Peak:m/z	Relative Intensity
53.03954	1.2
54.40081	0.4
55.01879	0.6
55.05518	1.4
57.03442	1.3
61.02932	3.6
63.73936	0.4
67.05506	3.9
69.03430	2.9
69.07068	3.8
69.75323	2.1
71.01372	0.6
71.05009	0.7
72.52507	0.5
73.02923	3.3
79.05497	3.6
81.03416	2.7
81.07057	4.3
82.07391	0.5
83.01353	0.8
83.04993	1.1
83.08617	0.7
84.68103	0.4
85.02904	3.7
87.04494	0.5
91.03954	2.2
91.05471	3.9
93.07045	3.6
95.01350	0.8
95.04988	1.0
95.08633	1.9
97.02895	3.8
97.06544	1.4
98.64026	0.4
99.04485	0.9
101.02412	1.5
105.07031	3.8
107.04988	1.7
107.08620	1.9
109.02865	0.6
109.06547	0.5
109.10160	0.6
111.04470	0.5
115.03951	0.5
117.07066	1.2
119.08615	1.7
121.10175	1.1
123.08107	0.8
127.03906	1.2
131.08617	1.4
133.10124	2.2
135.11722	1.0
145.06531	0.5
145.10097	2.2
147.11745	0.8
149.09662	0.9
155.08586	0.5
159.11714	0.8
163.11246	1.5
179.14320	0.5
184.07321	0.6
185.04279	0.9
243.08463	2.2
243.68723	0.4
258.47482	0.4
275.20114	0.7
283.15619	0.5
303.77057	0.5
315.19217	2.2
371.21756	0.7
467.18765	6.1
467.24713	0.5
468.18802	0.5
533.27179	9.1
534.27692	0.7
597.41858	0.5
742.40259	0.5
759.39191	100.0
760.39496	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	759.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01876	0.8
55.05504	2.2
57.03439	1.9
57.07071	0.4
61.02925	4.6
65.03948	0.4
67.05503	6.4
69.02927	2.3
69.03423	3.6
69.03773	0.3
69.07063	2.1
70.13696	0.2
71.01376	0.4
71.04996	0.4
73.02915	4.1
76.21641	0.2
77.03942	0.3
77.39531	0.2
79.05493	8.1
81.03417	2.3
81.07058	5.7
83.04990	0.9
83.08632	1.1
85.02901	4.9
85.06538	0.3
86.09725	0.3
87.04482	0.5
91.03951	3.0
91.05477	6.3
91.06014	0.4
93.07042	7.3
94.07381	0.5
95.04964	1.6
95.08603	4.2
97.02882	4.2
97.06541	0.5
98.23362	0.6
99.04464	0.9
101.02384	1.7
103.03960	0.3
105.04546	0.4
105.07027	5.8
105.07670	0.4
107.04976	0.5
107.08593	3.3
108.08923	0.4
109.02903	0.5
109.05225	0.2
109.06529	0.6
109.10159	1.2
111.08113	0.3
115.03957	0.5
117.07001	1.6
119.08564	4.2
121.10132	2.2
123.08081	0.6
123.11752	0.4
125.00054	0.3
125.09674	0.4
127.03916	1.2
128.06210	0.4
129.05490	0.4
129.06973	1.3
131.08571	1.9
133.10129	2.6
135.11656	1.3
143.08591	0.9
145.10121	1.5
147.08128	0.4
147.11685	2.5
149.09630	0.5
149.13268	0.6
157.10231	0.5
159.11723	0.7
161.13278	1.1
171.11649	1.8
175.14859	0.5
184.07350	1.4
185.04272	1.1
189.12759	0.3
199.14781	0.4
201.03845	0.3
203.05276	0.5
207.13770	0.3
241.06972	0.3
243.08398	2.9
247.13071	1.7
259.20605	0.4
267.16016	0.5
281.17273	0.3
301.08856	1.2
303.15656	0.7
315.10495	0.6
317.21106	0.3
327.10733	0.4
335.25821	0.5
335.99612	0.3
345.17068	0.4
371.16684	0.3
373.11011	0.4
373.23489	0.4
383.17145	0.4
385.18079	0.4
397.18491	0.4
465.20935	10.1
466.21634	0.8
495.22092	0.8
496.21860	0.3
527.37311	0.4
535.28772	6.9
536.29059	0.9
537.22711	1.7
544.37811	0.4
545.38416	0.4
565.27014	0.3
579.39008	0.3
621.32440	0.3
750.69202	0.3
759.42816	100.0
760.43176	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	760.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.6
55.01874	18.6
55.05514	19.3
57.03437	19.1
58.20778	1.4
59.04985	1.6
59.71833	1.3
60.08155	5.2
61.02923	8.9
65.03937	5.0
66.96362	1.4
67.05509	57.9
69.03438	11.0
69.07068	38.8
69.16059	9.1
70.08819	1.3
71.01357	5.2
71.04989	6.0
71.07378	2.0
73.02901	1.6
79.05493	68.8
81.03420	25.0
81.07053	50.0
83.01347	6.6
83.04978	13.4
83.08617	11.3
85.02914	9.7
85.06551	2.4
86.09702	23.1
91.03949	3.7
91.05482	100.0
93.07044	55.3
94.07381	1.6
95.04968	16.0
95.08609	36.1
97.02873	7.4
97.06529	14.3
97.10162	5.4
98.98447	3.1
99.04457	3.2
99.08080	2.4
101.02498	1.5
103.05440	2.0
104.10768	3.5
105.04542	3.0
105.07031	32.5
107.04955	17.5
107.08594	36.4
108.08938	1.6
109.02837	2.0
109.06506	7.6
109.10166	18.0
111.04398	3.2
111.08083	6.3
115.05474	7.8
117.07021	63.9
119.05013	1.6
119.08581	24.3
121.06494	5.5
121.10132	10.4
123.08077	9.4
123.11745	2.1
125.00010	16.2
125.09624	5.2
127.03925	4.0
128.06242	2.4
129.05478	4.2
129.06964	5.2
130.07808	2.0
131.04907	1.9
131.08600	12.3
133.06473	2.1
133.10123	15.4
135.08055	57.3
135.11685	9.9
136.08508	1.3
137.05971	1.6
137.09612	11.0
141.07042	2.4
143.07037	2.6
143.08504	3.0
145.05013	1.8
145.06441	3.6
145.10103	12.7
147.08061	3.9
147.11676	7.8
149.09613	11.5
149.13202	1.5
151.07515	2.1
151.11180	4.4
153.09119	5.1
153.12709	1.7
155.08524	3.0
157.10155	5.0
159.11720	6.4
161.09624	2.1
161.13228	3.7
163.07506	9.6
163.11163	9.4
165.09116	3.5
165.12715	1.5
169.10173	2.7
171.11632	2.8
173.09631	2.2
173.11729	4.2
173.13268	3.3
175.11169	2.5
179.10693	1.8
179.14336	3.4
181.08586	3.0
181.12219	2.7
184.07336	66.0
185.13252	1.6
187.11153	2.5
190.87241	1.7
191.10641	2.6
197.11699	2.1
199.09702	4.4
209.11725	3.5
227.12820	6.3
239.17926	2.1
247.20541	1.6
253.14343	4.0
255.12271	51.1
256.12567	2.8
257.18954	3.1
263.16428	1.7
267.15948	3.4
273.18323	3.0
275.20099	18.4
283.15375	14.5
291.19540	8.5
293.21152	2.0
331.22858	1.8
349.23691	19.2
351.18018	6.2
365.23410	3.2
382.80847	1.6
409.22104	9.3
423.23599	4.7
433.25806	4.6
435.23734	3.3
449.25037	1.8
513.31891	2.7
529.31726	18.1
530.32281	2.2
545.30548	2.6
547.32666	3.6
760.39124	11.6
761.40698	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	760.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.3
55.01876	21.5
55.05513	25.9
57.03440	33.2
57.90186	2.3
59.05004	3.4
61.02919	8.7
62.41032	2.2
65.03944	4.9
67.05505	57.8
69.03428	21.9
69.07072	55.6
70.17579	4.8
70.17929	5.4
70.84474	2.2
71.01360	4.0
71.04989	26.0
71.08667	2.4
73.02917	11.3
79.05496	100.0
81.03418	42.7
81.07056	66.6
83.01347	9.3
83.04985	26.1
83.08634	16.7
85.02913	17.8
85.06540	6.2
91.03956	4.1
91.05481	87.6
93.07047	74.5
95.04973	25.5
95.08613	36.4
97.02894	14.7
97.05904	5.2
97.06536	95.9
97.10128	4.2
99.04485	6.5
99.08103	8.7
103.05480	3.7
105.04512	2.4
105.07038	42.3
107.04958	25.3
107.08589	42.6
109.02871	5.8
109.06525	23.6
109.10156	12.3
111.04445	6.5
111.08086	11.5
113.06020	2.9
115.05479	8.8
115.07571	38.9
115.21290	2.2
117.07024	44.5
117.09296	2.3
119.04948	3.4
119.08578	35.9
121.06487	13.5
121.10139	22.1
123.08069	17.3
125.05995	5.4
125.09627	6.6
127.03923	8.0
127.07568	5.4
128.06200	5.8
129.05522	3.7
129.07010	23.1
130.07762	3.8
130.52872	2.5
131.04846	2.9
131.08556	27.0
133.06505	9.1
133.10126	24.2
135.08052	42.2
135.11697	14.3
137.06004	2.8
137.09608	7.2
139.07559	3.2
141.06981	6.6
142.07782	4.6
143.07086	2.3
143.08527	13.0
145.06468	5.9
145.10146	23.9
146.10564	2.6
147.08002	16.4
147.11684	8.4
149.09621	26.1
151.07570	3.2
151.11174	4.7
153.09085	6.8
153.12709	5.0
155.08540	7.4
157.06471	3.3
157.10101	12.8
159.08105	5.9
159.11737	6.7
159.77879	2.6
161.09599	12.8
161.13289	2.7
163.07532	7.0
163.11169	26.5
165.09103	5.6
167.10722	5.3
169.10107	5.3
171.11641	14.1
173.04504	3.1
173.09659	9.3
173.13403	3.0
175.11209	8.1
177.09120	8.0
177.12842	3.2
179.10690	3.3
181.08572	3.1
181.10130	3.8
181.12256	4.3
183.11719	2.8
184.07458	4.1
185.09663	3.4
185.13260	3.9
187.11180	4.9
189.12775	10.2
191.10692	7.2
199.09639	5.9
199.14821	9.8
203.10657	2.9
205.12134	4.2
209.11687	7.5
210.07639	8.6
217.15855	12.8
225.11241	7.6
227.12712	7.0
227.14420	6.9
241.14362	15.9
245.15393	29.1
246.15617	3.1
255.12256	28.8
261.14819	4.0
263.16547	11.7
267.15991	2.9
269.17645	4.4
273.18561	12.0
279.16000	3.0
283.15411	78.5
284.15634	3.8
291.19559	4.9
319.19183	9.5
337.19983	9.5
339.18304	4.6
347.21979	3.8
355.21103	4.1
365.23383	4.7
378.87546	3.0
435.23892	3.7
449.25403	29.9
461.11548	2.5
475.27081	3.4
477.24710	4.9
487.26849	4.9
509.28433	2.6
527.30103	12.4
545.31140	21.1
563.32056	11.1
576.95172	2.7
714.34576	2.7
760.34015	11.8
761.32886	5.6
771.28198	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	760.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.4
55.01873	24.6
55.05511	37.9
57.03439	26.1
57.07068	2.2
59.04990	4.7
60.08157	2.1
61.02924	9.7
65.03944	6.3
67.05505	71.4
68.05833	1.5
69.03429	10.1
69.07068	77.4
69.54718	3.7
69.55131	4.4
70.07395	1.7
71.01358	7.6
71.04974	8.8
73.02913	4.2
77.03946	1.7
79.05492	91.7
80.05815	3.1
81.03416	31.7
81.07055	77.4
82.07369	2.1
83.01347	13.0
83.04981	23.7
83.08617	24.6
85.02907	16.5
85.06532	4.7
86.09702	8.7
91.03930	2.4
91.05476	89.8
92.05774	1.6
93.03374	1.6
93.07043	85.1
94.07401	2.1
95.04970	28.8
95.08605	50.6
97.02893	12.4
97.06529	29.5
97.10161	5.4
98.22684	1.5
99.04449	6.5
99.08089	3.6
103.03960	1.6
103.05473	3.4
105.04500	4.1
105.07033	45.9
107.04957	27.1
107.08591	44.6
109.02863	2.7
109.06514	15.7
109.10154	19.7
111.04402	6.7
111.08071	9.3
115.05453	5.0
116.06217	2.7
117.06204	2.8
117.07014	40.8
118.07383	1.7
119.04905	2.4
119.08578	41.3
121.06508	10.5
121.10137	32.6
123.04440	2.0
123.08067	23.7
123.11726	1.7
124.99979	5.1
125.05976	5.3
125.09600	8.7
127.03928	5.0
127.07581	6.9
128.06230	4.3
128.96500	1.2
129.05528	6.3
129.06989	9.0
130.07788	1.6
131.08577	31.3
132.08963	1.8
133.06462	5.1
133.10133	31.3
134.10388	1.5
135.08051	40.2
135.11693	21.2
137.09607	27.2
139.07550	1.9
141.06982	3.4
141.09065	2.2
142.07764	1.7
143.07072	5.9
143.08549	8.6
145.04926	1.6
145.06482	4.2
145.08533	1.8
145.08734	1.9
145.10120	38.2
146.10442	2.5
147.08011	11.0
147.11665	5.5
149.09613	33.0
151.07541	2.5
151.11185	15.9
153.09106	4.1
153.12732	3.5
155.08542	4.7
157.10130	6.2
159.08047	3.2
159.11705	9.5
159.69557	1.2
161.09544	7.4
161.13274	2.7
163.07553	2.4
163.11183	43.1
164.11511	1.4
165.09111	5.9
167.10583	1.7
169.10069	6.0
171.10181	3.5
171.11713	4.0
173.04439	1.6
173.09602	8.0
173.11850	1.6
173.13242	3.8
175.11259	1.7
177.09091	4.8
177.12730	1.9
179.10695	2.4
181.12224	6.3
183.10181	2.5
183.11682	2.4
184.07318	27.8
187.11176	5.0
187.14792	4.7
189.11244	1.9
189.16347	1.8
191.10626	6.5
191.14290	2.9
195.10168	2.2
199.09596	6.1
199.14764	2.8
201.11223	6.0
201.12874	1.9
201.16376	10.2
209.11710	15.1
209.13330	1.8
211.14839	7.3
215.12711	1.5
217.15833	1.8
219.17403	4.8
223.13171	2.5
225.11218	3.5
227.12653	11.2
229.15935	17.3
235.17041	1.4
239.12816	3.4
245.15343	3.3
247.16913	20.9
248.17413	1.5
255.12260	11.2
257.13818	3.0
263.16461	1.9
265.18024	4.5
267.69205	1.4
275.20114	4.4
283.15390	100.0
284.15732	4.6
289.07782	1.3
291.19550	3.0
303.19565	1.8
311.14899	3.8
319.18988	1.8
321.20599	49.1
322.21069	2.0
337.20050	2.0
339.21506	2.0
349.23755	2.5
379.21219	8.5
409.22000	6.9
423.23346	2.1
425.21759	1.5
433.25812	8.9
435.23865	1.6
436.58078	1.4
442.96671	1.4
449.25528	3.2
465.24731	1.5
477.24808	1.9
511.31131	2.6
513.31995	2.7
529.23944	2.1
529.31592	32.7
530.31708	2.9
545.31128	4.2
547.32770	3.0
715.24225	1.5
761.32050	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	2.5
53.03936	2.5
53.85822	1.4
55.01876	3.8
55.05515	26.0
56.98752	1.4
57.03434	16.7
57.07071	5.2
58.06591	2.0
59.04986	3.0
61.02917	3.6
61.82074	1.5
65.03946	1.5
67.05139	1.6
67.05502	32.2
69.03417	2.8
69.07070	25.5
71.04974	3.3
71.08631	4.8
71.28867	1.8
73.02888	1.6
76.76603	1.5
79.05496	19.2
81.03412	6.1
81.07058	33.1
83.04969	4.7
83.08619	27.6
85.02923	2.3
85.10178	2.4
86.09691	6.5
91.05479	24.7
93.07037	21.1
95.04959	4.9
95.08613	24.6
97.02884	6.1
97.06513	5.2
97.10161	13.5
99.00813	15.2
99.08136	1.6
101.58366	1.5
105.07028	15.8
107.04941	6.6
107.08584	12.7
109.02872	6.7
109.06531	3.8
109.10155	14.0
111.04471	1.9
111.08072	6.4
111.11713	3.1
113.05993	1.6
115.03905	3.1
117.06997	4.1
119.08572	8.3
121.06511	5.3
121.10125	7.7
123.11716	5.7
125.00001	2.7
125.09606	2.4
127.04004	2.1
131.08572	3.5
133.06471	2.4
133.10126	28.7
135.11693	8.6
139.07516	2.1
143.08545	4.9
145.10152	2.8
149.13237	2.5
151.11205	9.8
157.08623	1.7
161.09628	18.7
165.16362	1.5
171.08058	3.4
179.10657	8.2
184.07341	17.7
189.09082	6.5
197.11627	1.8
207.10243	4.3
216.96339	1.5
221.71570	1.5
225.11214	9.4
236.14929	5.8
243.12259	2.0
281.13785	3.1
283.15430	2.4
299.14880	100.0
300.15192	5.5
339.28955	76.7
340.29297	5.3
373.03192	1.9
503.99265	1.4
534.34735	1.9
545.38306	3.4
563.39404	51.6
564.39880	7.1
571.46765	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.5761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	3.4
57.07075	28.5
58.06617	1.7
62.67202	1.4
67.05510	2.3
69.07066	5.4
71.08628	29.7
71.28791	2.4
73.06552	9.5
79.05482	1.8
81.07043	2.2
83.08624	5.2
85.10181	15.0
86.09695	4.4
87.04455	11.7
89.06030	100.0
93.07047	2.5
95.08595	2.8
97.10177	4.8
97.56126	1.3
99.11739	1.9
107.07049	1.9
109.99133	1.4
111.11697	4.7
113.13257	2.4
117.09141	9.4
121.10148	1.3
124.99979	2.5
125.13271	3.2
127.14827	1.9
130.08647	3.4
131.07060	2.1
133.08597	53.8
135.10229	2.3
159.02959	1.4
161.11700	2.2
175.09703	3.3
177.11223	19.9
184.07324	10.5
221.13882	4.6
236.14958	2.6
238.82913	1.3
241.25398	2.6
265.16495	1.8
283.17786	2.3
285.27924	6.2
294.04190	1.5
329.30341	3.7
339.29053	2.0
476.19391	1.7
493.27548	1.5
588.47412	1.6
760.56726	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	761.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.6
54.97268	0.5
55.01875	1.1
55.05506	2.3
57.03433	1.7
58.64293	0.6
61.02935	0.8
66.05386	0.7
67.05502	6.9
68.99061	1.7
68.99467	4.8
69.03424	1.1
69.07069	2.3
71.04994	1.1
71.08635	0.8
79.05508	5.4
81.03415	1.0
81.07069	5.7
83.04974	0.9
83.08643	1.3
85.02905	0.8
86.09724	2.5
91.05480	4.8
93.07053	5.5
95.04981	1.5
95.08607	4.3
96.08978	0.8
97.02879	0.6
97.06544	0.9
97.10153	1.1
105.07030	3.3
107.05006	0.8
107.08591	2.5
109.06531	0.6
109.10162	2.0
117.07033	1.4
119.08586	1.1
121.10201	2.4
123.11724	1.2
124.99975	1.5
131.08586	1.2
133.10182	1.5
135.11703	1.7
143.08592	0.7
145.10190	1.7
147.08112	0.7
147.11745	1.1
149.09628	1.1
149.13281	0.6
159.11812	0.7
163.11182	0.8
173.13281	0.8
184.07350	8.1
185.07750	0.8
189.11189	0.7
191.10689	0.8
209.11748	1.1
227.12878	0.8
247.57857	0.6
275.20221	1.7
283.15341	1.6
284.15814	1.1
301.16562	1.2
307.22769	1.3
337.27396	2.0
338.27930	2.1
349.23621	1.0
535.26550	2.1
545.38617	0.9
546.38715	2.6
563.39520	0.8
564.39819	1.7
581.41705	1.2
761.38647	100.0
762.38965	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.7
56.45919	0.9
57.03436	2.3
57.07071	1.5
59.38588	1.1
60.08181	0.9
67.05505	7.3
69.07071	2.3
71.08631	0.9
79.05503	4.3
81.03416	1.8
81.07055	7.2
83.08611	2.2
86.09718	5.7
91.05505	3.1
92.85208	0.9
93.07050	4.4
94.10255	1.0
95.04977	2.1
95.08601	3.6
97.02913	1.0
97.10165	0.9
105.07001	2.1
107.08585	2.1
109.10184	1.8
117.07074	1.1
119.08605	2.9
121.10107	1.4
123.11720	1.0
125.00031	2.3
129.06966	1.1
131.08600	1.7
133.10138	2.1
145.10168	1.0
147.11668	1.3
178.07684	1.0
184.07324	13.9
184.08727	1.4
200.30772	0.9
229.35410	1.2
236.14966	1.4
283.15402	3.3
284.15952	1.6
337.27386	1.6
483.16223	1.4
546.38928	1.7
548.44751	1.0
761.38629	100.0
762.38605	15.2
787.64319	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
55.01876	0.8
55.05504	1.4
57.03434	1.3
57.07103	0.4
61.02926	4.9
67.05502	3.0
69.03424	2.9
69.07069	1.2
69.57537	1.4
71.05021	0.7
73.02916	3.0
79.05485	3.9
81.03407	2.3
81.07066	3.6
83.01370	0.5
83.04987	1.0
85.02911	3.9
91.03965	3.0
91.05475	3.7
91.05952	0.4
93.07039	4.0
95.04948	1.0
95.08595	2.3
97.02904	4.5
97.06564	0.9
98.23265	0.4
99.04455	1.1
101.02387	1.5
105.07028	3.5
107.04987	0.6
107.08600	2.6
109.02870	0.8
109.06540	0.9
109.10155	1.0
113.43090	0.4
117.07040	1.0
119.08566	2.2
121.10162	1.3
123.08047	0.7
127.03963	1.2
129.05492	0.6
129.07043	0.8
130.30023	0.3
131.08588	1.0
133.10162	1.4
135.11728	1.5
137.93163	0.3
142.04881	0.4
143.08586	0.4
145.10178	1.6
146.87108	0.3
147.11700	0.9
159.11737	0.6
163.11212	1.8
171.11749	0.6
180.65755	0.3
184.07271	0.5
185.04303	0.8
198.62045	0.4
203.05357	0.5
209.11722	0.5
243.08380	2.9
249.11047	0.5
283.15320	0.5
301.09067	0.9
315.10513	0.5
367.27386	0.4
465.20941	1.4
467.18823	7.1
467.24823	0.6
468.19409	0.7
472.60837	0.5
535.28735	6.5
536.29059	1.0
539.21130	0.5
761.40771	100.0
762.41052	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	761.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.1
55.01893	1.0
55.05516	2.4
57.03431	2.0
57.99260	0.4
61.02930	3.8
67.05505	5.0
69.03431	3.1
69.07073	1.5
71.01342	1.1
71.04988	0.8
71.08638	2.2
73.02916	3.1
79.05496	4.5
81.03425	4.2
81.07060	5.7
83.01349	0.7
83.04986	1.7
83.08622	1.6
85.02910	4.9
91.03967	2.4
91.05482	3.7
92.05834	0.7
93.07045	6.4
93.14971	0.4
95.04990	2.0
95.08601	3.6
97.02886	4.1
97.06567	1.1
98.23363	0.9
99.04469	0.8
99.08103	0.9
101.02402	1.9
105.03391	0.5
105.07032	2.9
107.04960	1.2
107.08600	3.8
109.02891	1.3
109.06528	0.9
109.10163	1.5
111.08089	0.9
111.11859	0.4
117.07021	1.4
119.08580	2.1
121.06546	1.0
121.10146	1.8
123.08092	1.4
125.00022	1.1
127.03957	1.6
129.07030	0.7
131.08578	0.9
133.10181	1.6
135.08086	1.0
135.11697	2.7
137.09644	0.6
145.05035	0.5
145.10188	2.3
147.08098	0.5
147.11755	0.7
149.05991	0.6
149.09714	0.5
151.11226	1.1
155.08525	0.5
159.11696	0.5
161.09654	0.6
161.13312	0.7
163.07584	0.6
163.11188	2.5
173.09563	0.4
179.14362	1.4
184.07347	2.9
184.91452	0.4
185.04187	0.5
203.14586	0.5
209.11856	0.7
227.12868	0.4
243.08504	2.5
267.15939	0.8
277.21677	0.4
283.15497	0.6
317.20966	2.6
335.25897	1.1
373.23297	0.5
445.80588	0.5
467.18912	11.3
468.19748	1.0
535.28711	5.0
536.29358	0.6
677.37341	0.9
761.40784	100.0
762.41071	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	761.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01872	3.7
55.05510	38.9
57.03437	17.6
57.07072	2.3
58.03763	0.5
59.05001	0.8
60.05650	0.9
60.43131	0.4
60.48966	0.4
61.02931	1.4
64.26759	0.4
65.03941	2.6
67.05499	4.4
68.99794	0.5
69.03429	29.1
69.07066	27.5
70.07391	0.5
71.01359	1.3
71.04986	1.7
71.08629	0.5
73.02904	1.5
73.06547	0.7
75.04473	1.1
79.05489	2.5
81.03415	27.8
81.07050	6.0
83.01326	0.6
83.04978	39.9
83.08619	5.1
84.05295	0.6
85.02901	8.9
85.06544	0.7
87.04465	1.5
87.08108	1.5
91.03921	0.5
91.05471	1.7
93.03408	6.3
93.07042	3.6
95.04970	6.7
95.08604	3.6
97.06532	6.7
97.10166	53.4
98.10493	1.2
98.12775	0.4
99.04449	7.0
101.06030	1.1
103.03963	0.9
105.07020	0.7
107.04958	0.7
107.08591	8.5
109.02854	0.6
109.06533	0.6
109.10161	2.4
109.10810	0.3
111.04436	100.0
111.11728	2.3
112.04776	1.8
113.06009	0.7
115.03925	1.1
117.07037	0.4
119.08578	0.6
121.10180	0.5
123.08038	0.4
123.11662	0.5
125.09626	41.5
125.13231	0.9
126.09970	1.4
129.05472	24.4
133.10127	0.6
135.11676	3.7
141.05484	0.4
143.10667	17.7
144.10989	0.5
147.06508	5.9
149.81726	0.4
153.05466	5.1
153.12743	16.0
154.13045	0.6
155.06920	0.6
165.07587	3.9
167.07024	18.3
171.06499	3.1
171.13821	4.7
184.07292	1.0
184.09698	0.4
185.06520	0.6
185.08087	8.8
189.07585	6.1
197.11710	0.7
203.09132	19.4
204.09605	0.5
207.08572	1.0
215.12746	0.5
221.10237	4.4
235.13275	2.6
236.14900	0.7
239.95647	0.4
241.10722	0.8
245.07828	0.7
245.10208	10.2
253.14372	4.0
259.11743	11.4
260.12030	0.5
263.11172	0.8
263.16415	1.0
271.15411	6.3
277.12759	1.3
281.17465	1.7
289.16406	5.3
299.18503	5.0
301.12781	6.5
313.16409	2.3
315.14423	2.7
317.19586	3.5
327.17987	5.3
328.18292	0.4
331.17474	3.6
345.19092	4.5
355.18045	0.3
355.21198	3.6
369.18835	0.7
373.22232	4.0
383.20731	0.8
387.20120	2.9
395.24033	0.6
401.21609	1.8
411.23456	1.1
413.25455	2.1
423.27219	0.7
429.24942	3.4
441.28427	2.4
455.26691	0.5
459.29263	0.7
473.27115	0.6
497.31079	1.8
515.31769	1.4
745.43866	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.2
55.05497	2.9
56.05019	0.6
57.03431	6.5
57.07072	4.7
58.06599	41.0
59.07380	11.3
60.08165	10.2
67.05498	4.4
69.07036	1.6
70.55187	1.2
71.08627	3.7
73.02889	0.6
75.04472	2.7
79.05505	2.6
81.07059	4.0
83.04949	1.7
83.08583	1.5
84.08115	2.2
85.02890	2.7
85.10155	1.4
86.09657	0.5
87.04460	4.1
91.05483	2.6
93.05523	0.6
93.07045	2.1
95.04964	0.7
95.08598	3.5
97.10162	0.7
97.47134	0.7
97.47733	0.5
100.11224	0.8
102.05540	0.8
103.03889	0.7
105.05491	0.8
105.06987	1.7
107.04910	1.4
107.08597	1.1
109.06471	1.0
109.10111	1.5
111.04404	0.6
113.05973	2.1
117.06989	1.0
118.12232	0.4
119.08546	1.5
131.06999	1.7
135.07994	0.6
135.11702	0.6
143.08575	0.5
144.10191	16.8
145.10281	0.5
147.11685	0.7
162.11237	5.5
184.07222	0.5
189.12706	0.4
200.12817	0.8
218.13817	1.8
229.21165	0.4
236.14915	100.0
237.15189	3.8
238.60143	0.5
246.47902	0.5
281.17438	1.1
313.27383	1.7
402.32709	0.5
409.29483	0.5
412.38126	1.0
455.37759	0.5
456.36816	4.1
457.36887	0.6
471.94168	0.5
474.37869	13.0
475.38306	1.7
506.31293	2.7
519.40222	1.6
524.31903	3.7
525.32324	0.6
741.70813	0.5
744.54089	11.4
745.53790	1.7
762.54950	70.1
763.42157	0.7
763.55261	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	763.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.2
55.05486	1.5
56.02717	1.0
56.86134	1.0
57.03419	2.8
61.02906	1.1
66.94041	0.9
67.05505	6.3
69.03405	2.5
69.07040	1.8
69.57198	5.4
71.08604	1.2
72.31487	1.1
79.05502	6.2
81.03407	4.3
81.07057	6.4
83.04951	1.6
84.87597	1.2
85.02915	1.0
85.21943	1.0
91.05488	8.3
93.07024	4.0
95.04947	1.9
95.08588	3.4
97.02867	1.6
97.06508	1.7
99.08086	1.2
105.07014	3.9
107.04924	1.8
107.08582	3.2
109.10161	1.5
117.07040	1.5
119.08549	2.2
121.06464	1.4
121.10122	2.2
123.08064	2.3
127.36228	1.0
129.06927	1.1
131.08553	2.2
133.10110	2.7
135.08006	1.9
135.11667	1.6
143.08620	1.5
145.10103	1.6
146.10370	1.1
147.11668	1.2
149.09618	1.9
163.11148	1.7
184.07285	1.7
223.05916	1.0
227.12807	1.6
236.14845	1.6
283.15378	2.1
430.40302	1.2
492.52368	1.3
537.20190	2.0
763.32483	100.0
764.32916	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.3
55.01854	1.4
55.05486	3.3
57.03416	3.7
61.02909	1.8
67.05504	7.4
69.03389	1.7
69.07039	4.3
70.06540	1.2
71.01289	1.1
71.04958	1.4
71.08614	2.6
71.29789	1.7
71.63108	1.1
73.02859	1.7
75.04474	1.5
79.05495	8.5
81.03381	3.4
81.07048	8.0
83.04958	2.6
83.08624	2.4
85.02901	1.6
91.03872	1.2
91.05489	9.4
92.05811	2.2
93.07063	6.0
95.04925	3.3
95.08578	4.9
97.02863	3.0
97.06453	1.1
99.08073	1.6
105.07021	5.8
107.04945	1.6
107.08555	4.9
109.06480	2.4
109.10168	1.4
117.06984	3.0
119.08551	3.9
120.08897	1.2
121.10122	3.0
123.08041	1.5
124.08360	1.2
127.03934	1.4
129.07016	1.3
131.08540	1.5
133.06422	1.1
133.10112	2.8
135.08003	1.9
135.11682	1.4
137.09644	1.2
139.11101	1.3
143.08514	1.3
145.10135	1.6
149.02269	2.9
149.09552	1.3
151.11182	1.9
157.10022	1.6
163.11121	3.1
165.09088	1.2
180.91524	1.1
196.09662	1.7
215.17801	1.5
227.12666	1.5
237.15459	1.1
283.15381	5.7
284.15579	2.1
286.79745	1.0
309.17783	1.1
418.87790	1.2
455.13022	1.6
763.32263	100.0
764.33014	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	763.423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.05513	2.4
57.03431	3.0
58.06595	1.1
59.17252	0.6
61.02929	5.2
67.05508	5.9
69.03429	2.8
69.07066	2.3
69.89641	2.3
71.01356	0.6
71.04991	0.7
73.02923	3.7
79.05497	7.4
81.03426	4.6
81.07053	7.5
83.04984	1.3
83.08618	0.8
85.02905	5.5
91.03968	3.5
91.05481	5.7
93.07052	6.4
95.04984	1.9
95.08643	3.4
97.02898	5.4
97.06560	1.0
97.10164	0.8
98.23314	0.9
101.02357	1.2
105.07021	4.9
107.04984	0.7
107.08583	3.3
109.06491	0.8
109.10162	2.7
117.07033	1.8
119.08599	4.7
121.10146	2.4
123.11672	1.0
127.03944	1.8
128.06154	0.8
129.05502	0.7
129.06984	1.0
131.08568	1.7
133.10092	3.4
135.08040	1.0
135.11688	0.8
143.08560	0.7
145.10110	1.2
147.11699	2.1
149.09590	0.7
151.11305	0.8
157.10098	1.5
159.11691	0.8
175.11143	0.9
184.07391	2.2
185.04227	1.8
236.14905	1.2
243.08502	2.8
251.12631	1.0
281.12991	0.8
283.15347	1.1
301.08932	1.2
328.68005	0.7
332.43997	0.7
465.21387	1.0
469.20578	5.5
513.32629	0.6
534.92749	0.7
535.28973	7.4
536.29492	1.0
537.22949	0.9
547.89807	0.7
677.31372	0.9
763.42896	100.0
764.43481	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	763.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
55.05518	1.8
57.03438	2.1
61.02931	4.8
65.03959	0.6
65.22475	0.6
67.05505	8.2
69.03432	3.3
69.07072	2.0
70.06663	0.8
70.56910	0.6
71.05005	3.2
73.02903	3.5
73.69745	0.6
77.15174	0.5
79.05491	4.8
79.51639	0.5
81.03417	2.7
81.07059	6.4
83.04994	1.7
83.08618	0.9
85.02918	3.9
85.06550	0.7
91.03969	2.5
91.05471	3.4
93.03469	0.5
93.07031	4.6
95.04967	5.2
95.08607	3.6
96.05336	0.8
97.02888	4.4
97.06548	1.3
99.04472	0.8
101.02422	1.9
105.07057	2.1
107.04964	0.8
107.08574	3.0
109.02881	0.7
109.06543	0.9
109.10146	1.0
112.07610	6.5
113.05999	7.2
113.07986	0.7
117.07032	1.0
119.08601	2.2
121.10162	1.3
125.09619	0.6
125.89114	0.5
127.03949	1.6
129.07021	0.7
131.08594	2.2
133.10159	0.8
135.11751	1.4
137.09692	0.6
145.10164	1.8
147.11690	0.8
152.98891	0.5
159.11809	0.7
163.11211	1.9
173.08142	2.0
184.07330	1.3
212.20686	0.6
236.14951	0.8
243.08482	2.2
284.11606	0.6
338.47098	0.6
458.16879	0.7
467.18896	8.8
525.31403	0.5
537.30469	4.2
538.29987	0.8
597.05182	0.7
763.42407	100.0
764.42798	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	763.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
54.72786	0.6
55.01863	0.6
55.05514	2.6
57.03443	2.1
57.07068	0.9
60.08179	0.8
61.02937	5.6
67.05509	6.5
69.03423	4.5
69.07077	2.4
73.02921	4.1
79.05495	5.9
81.03432	4.0
81.07061	6.2
83.05005	1.1
83.08646	1.1
85.02900	6.9
86.09710	1.4
87.04465	0.7
91.03957	4.8
91.05501	4.6
93.07046	6.3
95.04997	1.4
95.08620	4.8
97.02894	6.7
97.10230	0.7
99.04484	1.3
101.02392	2.1
105.07049	2.1
107.08598	4.1
108.34853	0.6
109.02914	1.2
109.06567	1.0
109.10201	1.7
113.94563	0.7
117.07051	1.8
119.08611	1.4
121.06577	0.9
121.10176	2.1
123.08057	0.7
123.11737	1.6
125.00018	0.7
127.03926	1.6
129.63441	0.6
131.08591	1.4
133.10139	1.0
135.08090	1.1
135.11699	1.9
145.10158	1.3
163.11172	1.5
184.07321	5.8
229.22958	0.8
236.14854	1.1
243.08458	1.7
267.12100	1.2
335.25952	1.4
375.08542	0.7
467.18964	1.3
485.20117	1.9
491.26379	1.2
519.29309	6.4
719.39465	1.9
745.41394	3.7
763.42310	100.0
764.42792	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	763.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
55.01879	1.0
55.05507	2.1
57.03435	2.9
57.07085	0.5
61.02927	7.3
65.03946	0.7
67.05504	7.3
69.03436	4.9
69.07073	2.5
71.05000	1.0
71.29819	0.8
73.02919	5.7
79.05501	5.9
81.03412	3.1
81.07058	7.8
83.04958	0.7
83.08633	1.3
83.64596	0.6
85.02901	7.5
86.09701	2.7
87.04487	0.7
91.03954	4.1
91.05478	4.1
92.82561	0.6
93.07037	6.5
95.04979	1.4
95.08612	5.9
97.02895	6.0
97.06512	1.0
97.10137	0.7
99.04414	1.0
101.02399	1.7
103.03961	0.6
105.04495	0.6
105.07041	1.9
107.04988	0.9
107.08591	3.5
107.15405	0.6
109.02893	1.6
109.10182	1.4
111.04485	0.7
114.92710	0.6
115.03937	0.8
117.07027	1.8
119.08595	2.0
121.10147	3.2
122.10576	0.5
123.11717	0.7
125.00037	2.6
125.09623	0.6
127.03953	2.7
131.08614	1.8
133.10098	1.2
135.11690	1.7
137.09644	1.2
145.10149	2.0
149.13298	1.0
155.08624	0.5
157.35017	0.5
159.11659	0.7
162.98714	0.5
163.11243	1.3
183.42894	0.6
184.07352	9.6
185.04269	0.8
185.07687	0.7
209.11732	0.7
243.08429	2.5
249.11032	1.7
267.11951	1.3
293.12894	0.9
303.14972	0.9
316.23401	0.5
467.18961	3.6
485.19955	2.6
519.29309	10.9
519.36578	1.1
520.29669	0.9
605.23938	1.1
637.26581	1.0
647.41498	0.6
745.41260	15.5
746.41724	2.2
763.42249	100.0
764.42627	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.5298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.3
55.05511	29.4
57.03442	21.9
57.07067	6.2
58.06607	6.4
59.07405	2.0
60.08163	1.6
61.02923	5.0
65.03946	3.8
67.05506	100.0
69.03438	2.0
69.07071	21.4
71.04992	3.9
71.10281	1.9
77.03941	2.7
79.05494	82.7
80.05836	1.8
81.07059	91.9
82.07410	2.3
83.04986	3.4
83.08624	11.6
85.02910	6.4
85.06536	3.6
91.05481	44.9
93.07043	87.9
94.07388	2.9
95.04970	8.7
95.08607	63.1
95.56605	1.4
96.08939	2.3
97.02908	2.7
97.06548	3.7
97.10175	5.2
99.08074	4.1
103.41965	1.3
105.07027	33.2
107.08593	38.5
108.08895	1.6
109.06502	3.1
109.10153	31.3
111.08092	4.8
117.07038	11.5
119.08575	26.2
121.10143	44.5
123.11682	13.1
125.09644	2.0
129.07011	5.2
131.08574	20.8
131.09483	1.7
133.10124	30.9
135.08057	3.0
135.11688	31.1
136.11989	2.4
137.09590	1.8
137.13283	4.8
143.08556	6.2
145.10117	18.1
147.11688	18.1
148.11969	1.6
149.13254	14.5
155.08592	1.8
157.10158	4.7
159.11690	15.8
161.13263	9.5
163.11209	2.5
163.14835	3.6
171.11705	5.1
173.13258	14.3
175.14871	5.5
177.12849	1.7
177.16353	2.2
185.13251	3.7
187.14835	4.7
189.16350	2.1
199.14902	2.7
205.19589	2.7
213.16422	4.6
215.17984	18.7
217.19551	2.1
231.17415	6.7
233.19037	13.9
236.14824	10.6
243.21146	4.2
259.20575	4.6
261.22101	13.1
305.21042	2.3
307.22678	72.3
308.22946	5.4
309.24292	6.3
317.25009	2.4
333.24188	2.5
335.25790	69.8
336.26141	4.3
337.27338	5.9
474.37619	1.6
493.40576	3.0
567.43951	18.0
568.44501	2.1
585.45227	9.0
586.45581	1.6
621.02209	1.4
739.06891	1.4
746.55255	2.4
764.56213	9.4
765.56409	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	764.5662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	0.8
55.05513	1.9
57.03438	4.6
57.07074	4.7
58.01814	0.3
58.06601	33.9
58.07011	1.0
59.07382	8.9
60.08165	9.1
67.05508	2.9
69.03410	0.4
69.07070	2.7
70.63892	0.3
71.04967	0.5
71.08630	2.6
73.02885	0.6
75.04483	2.4
79.05482	2.0
80.52608	0.3
81.03407	0.4
81.07047	2.8
83.04939	0.6
83.08630	1.5
84.08139	2.5
84.16457	0.3
85.02909	2.8
85.10144	1.2
86.09689	0.6
87.04464	3.3
91.05437	1.2
93.07006	1.0
95.04929	0.6
95.08611	2.4
97.06490	1.1
97.10127	1.0
97.56396	0.3
98.22620	1.0
100.11217	0.8
102.05536	1.6
103.03954	0.5
105.05443	0.5
105.06986	0.9
107.04935	0.5
107.08554	0.9
109.10136	1.3
113.06021	1.7
116.10688	0.5
117.07014	0.6
117.07816	0.6
119.08583	0.6
121.10110	0.4
123.11596	0.6
130.08611	0.6
131.07016	1.4
133.06425	0.4
144.10197	17.6
145.10123	0.5
159.11766	0.4
160.09698	0.4
162.11266	6.1
175.11188	0.3
200.12784	0.8
218.13876	2.2
236.14922	100.0
236.43542	0.3
237.15254	3.6
239.23662	0.4
245.19138	0.3
260.14926	0.3
273.18417	1.2
290.15732	0.7
291.19525	1.8
313.27478	1.0
369.30124	0.5
374.99628	0.3
403.24127	0.3
412.37732	1.3
421.25867	1.8
428.26648	0.5
456.36862	6.3
474.37894	14.6
475.38217	1.5
490.31567	0.9
508.32709	4.0
524.91547	0.4
526.33936	3.0
528.39478	0.5
659.48944	5.9
660.49231	1.2
666.49286	3.6
667.49921	0.9
739.22437	0.3
746.45270	0.3
746.55591	19.0
747.55890	3.6
764.56665	60.3
765.57153	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	765.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
55.05513	0.9
57.03431	1.5
61.02920	1.8
65.03960	0.6
67.05503	2.2
69.03424	1.5
69.07049	0.5
70.76439	0.5
71.30796	0.5
72.39809	0.4
72.76174	0.5
73.02916	1.2
73.79449	0.5
75.18877	0.6
79.05502	2.8
81.03413	1.6
81.07053	2.1
83.05005	0.7
83.08605	0.6
86.09731	0.5
91.03947	1.4
91.05479	3.0
91.81552	0.5
93.07057	1.6
95.04986	1.5
95.08624	0.8
95.51601	0.5
97.02894	2.2
97.06496	1.2
101.02353	0.7
105.07037	1.4
107.04958	0.8
107.08620	1.2
109.10220	0.6
110.80791	0.5
117.07024	0.9
119.08584	1.1
121.10175	0.7
129.05511	0.8
131.00255	0.5
131.08556	0.6
133.10158	0.8
135.08069	1.3
135.11711	0.7
145.10120	0.6
149.09613	0.6
163.11198	0.6
181.12325	0.6
185.04228	0.6
185.42383	0.5
198.30684	0.5
243.08434	1.3
255.08913	0.5
293.05618	0.7
301.09116	0.8
343.26077	0.6
355.58603	0.5
357.15158	0.9
366.22668	0.6
373.11340	0.5
429.17380	0.6
439.15552	0.9
455.12976	0.7
457.16272	0.7
467.18909	1.8
539.21167	1.9
553.25537	1.2
567.25891	0.5
611.26160	0.6
637.28485	1.6
663.29572	2.5
677.31116	1.5
679.29480	3.3
746.31030	0.5
747.35089	1.8
765.34772	100.0
766.35144	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	765.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.6
55.05514	2.8
57.03445	3.4
61.02930	3.4
67.05497	3.8
69.03438	2.7
69.07076	2.5
71.01362	0.8
71.04980	1.4
73.02921	3.7
79.05495	6.0
80.99877	0.6
81.03434	5.0
81.07057	5.1
83.01403	0.8
83.04984	3.2
83.08633	1.3
91.03953	2.1
91.05485	5.2
93.07053	4.5
95.04965	3.1
95.08630	2.6
97.02906	4.7
97.06548	4.2
97.10203	0.8
99.04420	1.3
100.56242	0.7
101.02401	1.4
105.07025	3.2
107.04990	1.6
107.08624	2.8
109.06523	0.9
109.10165	0.8
111.04514	0.8
111.08134	0.9
117.07041	1.9
119.08596	1.8
121.06529	1.0
121.10135	1.2
123.08099	1.6
125.09678	1.0
127.03977	1.2
129.05435	0.7
133.10112	1.0
135.08115	1.9
139.75348	0.7
143.08566	0.7
145.10164	1.9
149.09729	0.8
163.11259	1.3
175.11281	0.9
181.55646	0.7
182.95113	0.6
215.07045	0.8
243.08556	2.0
259.09756	0.8
271.40952	0.7
283.15604	1.9
321.16833	2.3
349.05182	0.7
349.20117	0.9
395.97009	0.7
411.16330	1.1
439.15768	1.1
451.21539	1.5
453.20724	0.7
467.18958	3.5
523.06836	0.7
539.24939	4.8
765.36633	100.0
766.36890	12.6
793.64703	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.1
55.05507	3.3
55.68197	0.8
57.02833	0.8
57.03433	6.4
61.02923	10.5
67.05508	4.9
69.03429	7.4
69.07069	4.0
69.66061	3.3
71.01370	0.8
71.04997	1.7
71.08628	1.1
73.02920	10.3
76.54253	0.7
79.05495	7.7
81.03422	5.8
81.07055	7.4
83.04980	2.5
85.02908	11.5
91.03954	7.5
91.05473	6.1
93.07052	7.1
95.04984	3.4
95.08607	2.3
97.02895	9.8
97.06520	2.0
98.23273	0.9
99.04449	1.9
99.08097	1.4
101.02390	3.8
103.03882	0.9
105.07042	3.3
107.04946	2.2
107.08602	3.1
109.02860	1.7
109.06505	2.1
111.08057	1.1
115.03947	1.2
117.07021	2.1
119.08593	2.9
119.22404	0.7
121.06468	0.8
121.10146	2.2
123.08060	1.1
127.03903	4.1
129.05472	6.2
131.08606	2.2
133.10089	0.8
135.08084	2.3
135.11685	1.7
145.04982	2.3
145.10143	2.5
149.09644	1.6
153.09140	0.8
163.11174	4.2
167.06824	1.0
173.11766	1.1
177.09123	0.9
180.10728	0.8
181.04765	1.2
185.04257	4.6
203.05185	1.0
204.71385	0.8
209.11951	1.0
219.10094	0.9
227.12971	0.8
243.08400	8.0
249.11078	3.4
259.08005	1.0
283.15479	1.8
289.14035	1.4
291.11783	1.0
301.08917	5.7
303.06903	1.6
309.13339	0.9
313.08939	0.9
315.10477	4.4
323.34326	0.7
327.10638	1.0
355.13541	1.1
357.15143	12.4
373.11093	1.7
383.16714	1.9
385.14713	3.5
385.18811	1.7
387.12781	1.6
401.14072	1.4
403.21033	4.5
411.16254	3.9
421.21884	1.0
429.17255	4.1
441.17386	1.3
442.18250	1.1
449.21640	2.3
453.17142	5.5
455.51993	0.9
455.58939	1.2
467.18842	26.1
470.17572	1.5
483.18503	2.9
485.23624	1.7
511.21924	1.0
539.20880	21.7
540.21521	1.4
553.26251	13.1
554.27179	4.0
581.25696	2.8
582.26080	2.9
599.26953	1.1
611.26666	9.8
637.28308	21.6
638.28790	2.2
679.29321	60.9
680.29608	7.2
707.08911	0.9
719.34149	1.1
747.35425	6.2
748.35840	1.7
765.36621	100.0
766.36975	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	765.3668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.5
55.05510	2.5
57.03438	6.2
57.07082	1.4
57.41625	1.1
61.02927	12.9
67.05500	7.2
69.03426	9.2
69.07066	2.6
70.33936	2.2
70.34271	1.4
70.70291	1.0
71.04984	2.2
73.02914	8.6
79.05488	9.7
81.03426	6.8
81.07054	6.6
83.04962	1.2
83.08602	1.8
85.02897	12.9
91.03963	7.6
91.05476	9.8
93.07018	6.7
95.04967	2.8
95.08608	3.9
97.02882	10.4
97.06540	1.9
97.10168	1.8
97.28727	1.1
99.04456	2.7
99.08109	1.1
101.02387	5.2
105.07021	4.3
107.04959	2.2
107.08562	8.0
109.02881	3.4
109.10172	3.8
113.06007	1.3
115.03898	1.3
115.05472	1.0
117.07024	5.9
119.08575	2.4
121.10108	2.0
123.08064	1.0
125.09658	2.1
127.03922	3.6
129.05476	4.0
131.08597	2.1
133.10150	2.5
135.08051	8.0
135.11694	1.5
145.05028	1.7
145.10107	1.8
151.07550	1.2
151.11143	1.4
153.09097	1.0
156.03926	1.2
157.10214	1.1
163.07582	1.5
166.67604	1.3
173.11803	1.2
185.04210	5.2
201.03734	3.1
203.05235	1.3
222.25378	1.3
227.12714	2.0
230.05876	1.1
243.08371	9.8
249.10995	1.1
259.07864	1.5
263.12503	1.3
283.15378	1.8
291.12051	1.0
301.08899	7.3
303.06961	2.4
315.10590	4.1
327.10422	3.0
329.11871	1.1
337.12527	1.7
341.12088	1.4
357.15149	6.6
373.10938	3.0
375.21704	1.6
383.16721	1.7
385.18307	4.8
387.12445	1.4
401.14035	1.4
411.16257	7.8
421.22156	2.4
427.12244	3.8
429.17496	2.8
439.15271	16.7
441.16943	1.2
455.19232	1.8
457.21039	1.5
467.18777	7.6
469.16437	6.6
470.17288	1.5
481.20334	3.1
485.23560	1.6
505.24359	1.7
511.21927	8.3
539.21960	2.1
551.28253	1.2
553.26111	17.5
554.26843	4.9
574.06708	1.5
581.25458	3.3
599.26654	2.3
611.26392	7.8
612.26593	1.6
625.28094	2.4
637.28290	43.6
638.28711	5.0
651.30872	1.2
677.31879	1.5
679.29358	54.0
680.29602	6.8
719.35199	3.0
747.35577	8.6
765.37036	100.0
766.37354	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	765.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.8
57.03432	5.2
57.07066	8.6
58.06602	19.7
59.07380	4.0
60.08154	5.9
67.05511	14.9
68.05838	2.3
69.07070	5.0
71.08635	7.7
71.28201	2.8
78.84113	1.8
79.05502	5.8
81.03425	3.7
81.07047	11.2
83.08622	5.1
85.10187	2.8
86.09714	7.2
91.05486	6.8
93.07067	4.8
95.04974	3.5
95.08598	8.7
97.02934	2.0
105.07041	4.1
107.84333	1.5
109.06570	2.0
109.10146	9.7
110.10544	3.2
112.76412	1.7
117.07057	2.6
121.10186	3.4
123.11710	2.1
125.00043	4.2
133.10117	2.1
144.10231	6.1
149.09644	2.5
153.21144	1.8
162.11295	3.7
173.11676	2.0
184.07321	24.6
185.07756	3.8
185.16664	2.3
206.12863	2.0
229.14407	8.8
230.14771	2.8
236.14899	38.6
237.15388	7.4
267.15906	5.2
297.16885	3.1
313.27274	14.4
314.27881	8.3
456.36847	2.5
467.37219	3.6
468.37939	6.1
474.38138	2.1
475.37851	3.5
505.38876	6.0
536.41022	2.8
539.28955	3.3
636.26501	2.6
668.28210	7.5
679.41016	2.6
742.49701	1.9
746.55725	10.9
747.55792	31.8
748.56097	6.3
765.41669	100.0
766.42731	17.0
793.73297	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	766.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	7.9
55.05513	16.2
57.03441	10.0
57.07081	5.9
58.06602	1.9
59.04998	2.0
59.43673	0.8
60.08183	0.9
61.02929	5.9
65.03938	1.0
67.05505	31.0
69.03435	1.8
69.07068	9.4
69.33814	4.3
71.01342	0.9
71.05000	2.4
71.08624	3.3
73.02912	1.9
79.05491	30.8
81.03419	9.5
81.07058	30.2
82.07439	1.0
82.33165	0.9
83.01356	7.3
83.04993	8.9
83.08620	10.2
85.02893	5.6
85.06538	4.4
85.10194	2.3
86.09718	1.5
91.03970	2.0
91.05479	43.8
92.05785	1.2
93.07042	31.6
94.07372	1.7
95.04973	8.3
95.08608	19.2
96.04530	1.0
97.02888	4.3
97.06528	6.5
97.10165	3.6
99.04453	2.6
99.08106	0.8
103.05480	0.9
105.04616	1.1
105.07030	30.2
107.04939	5.7
107.07889	1.0
107.08592	14.1
109.06522	4.3
109.10171	6.1
111.04458	2.7
111.08096	1.8
111.11750	1.0
115.05489	1.5
117.07006	14.5
119.08578	24.9
121.06527	2.6
121.10137	12.8
123.08054	7.8
123.11714	1.9
125.09621	3.0
128.06203	2.0
129.05484	2.4
129.07016	6.7
129.07840	1.1
130.07797	1.2
131.08565	13.8
133.10139	16.0
135.08067	3.8
135.11690	9.9
137.09647	2.5
137.13205	1.6
139.11279	0.8
143.08574	6.4
144.10274	1.3
145.06509	0.9
145.10106	15.4
147.08087	1.5
147.11691	6.9
149.09607	2.5
153.12746	2.4
155.08607	0.9
157.10115	7.1
159.11691	2.5
161.09697	1.1
161.13258	4.4
163.11168	17.6
163.14853	1.1
171.11655	6.8
173.05334	0.9
173.09602	2.5
173.13254	2.0
175.11224	1.8
175.14873	3.5
177.16400	2.0
181.12286	2.9
184.07394	2.9
185.13237	6.1
187.14848	3.0
189.12782	1.7
189.16403	6.1
191.10655	2.3
191.17896	1.8
193.12347	1.1
199.14737	4.9
201.16420	3.1
203.17955	18.1
209.11766	6.9
213.16444	2.6
215.17937	0.9
227.12846	5.3
227.18031	1.7
236.14896	2.6
240.12569	0.9
241.19679	1.5
245.22652	2.1
259.20615	1.4
259.24127	2.5
267.15826	1.8
269.22665	20.0
270.22958	0.9
283.15393	100.0
284.15720	6.4
287.23672	21.6
288.24139	2.1
301.27972	0.9
309.16840	2.4
313.27295	2.5
335.26080	4.0
361.27365	27.3
362.27615	2.8
481.08347	1.2
505.38284	1.2
569.38385	14.0
570.38593	1.4
587.39337	1.0
645.61395	1.1
766.43048	1.7
766.56769	1.1
767.45984	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.5461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.0
55.05510	27.2
57.03435	18.6
57.07074	13.0
58.06599	16.1
59.07380	4.7
60.08155	4.3
61.02910	5.0
65.03934	3.0
67.05505	91.1
68.05805	2.0
68.99506	3.6
68.99919	7.1
69.03438	1.5
69.07070	31.4
71.04981	3.6
71.08612	4.6
72.41676	1.3
79.05492	46.3
80.05814	1.9
81.07057	100.0
83.04941	2.6
83.08617	14.1
85.02901	4.7
85.06532	2.2
85.10181	3.3
87.04465	2.6
87.47185	1.3
91.03970	1.4
91.05473	30.1
93.07041	48.9
93.07627	2.4
95.04972	3.8
95.08606	63.9
96.08952	1.7
97.02885	2.3
97.06523	6.7
97.10174	8.2
98.22535	2.7
99.08086	5.0
105.07035	20.2
107.08598	28.9
109.06536	2.4
109.10160	28.7
111.08080	2.7
113.09663	1.7
117.06996	6.8
119.08589	17.7
121.10151	24.7
123.08028	2.6
123.11710	15.1
125.09612	4.1
125.13326	1.7
129.06973	2.0
131.08539	10.3
133.10135	19.0
135.08023	1.9
135.11690	17.8
137.09549	2.6
137.13254	5.0
143.08568	2.3
144.10237	7.2
145.10094	10.0
147.11681	12.1
149.09657	1.6
149.13219	9.7
151.14862	2.6
157.77817	1.5
159.11757	7.2
161.13214	7.0
162.11334	2.3
163.14784	4.1
173.13261	6.8
175.14839	6.0
185.13272	1.8
187.14864	4.1
189.16359	2.0
196.25771	1.3
215.17920	4.9
217.19542	5.5
219.17502	1.5
233.19043	6.4
233.22636	1.8
235.20529	6.1
236.14934	52.1
237.15292	1.9
238.11670	1.3
241.19540	1.5
243.21069	4.7
259.20630	3.2
261.22107	14.3
262.25385	6.3
287.23520	1.3
297.24503	1.4
307.22604	10.0
309.24200	61.7
310.24539	4.1
311.25815	4.0
317.24680	2.6
333.24365	1.8
335.25787	66.5
336.26144	4.6
337.27307	15.6
338.27191	1.6
423.70773	1.6
456.36887	1.9
474.37988	8.9
495.41867	2.2
569.45612	25.1
570.45850	3.0
587.46613	11.4
668.50854	3.4
730.56055	2.8
748.56903	16.6
749.57526	2.0
766.57996	19.8
767.57758	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	766.582
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48349	0.3
55.01844	1.2
55.05516	2.0
56.05016	0.4
56.05814	0.3
57.03432	4.6
57.07074	4.2
57.79711	0.3
58.06601	32.3
59.06903	0.5
59.07383	8.9
60.08165	9.7
67.05507	3.9
69.03428	0.6
69.07068	2.5
71.04958	0.4
71.08633	3.3
73.02885	0.6
75.04478	2.7
79.05482	3.9
81.03396	0.6
81.07060	3.9
82.26082	0.3
83.04940	0.7
83.08628	1.6
84.08144	1.8
85.02908	2.6
85.06453	0.3
85.10194	1.5
87.04466	3.6
89.06019	0.3
91.05484	2.3
92.35258	0.3
93.07064	1.7
95.04922	0.6
95.08610	3.2
97.02908	0.3
97.06495	0.5
97.10182	1.4
100.11224	0.6
101.89095	0.3
102.05517	1.2
103.03915	0.6
105.05467	0.7
105.07009	1.6
107.04904	0.6
107.08596	1.7
109.06466	0.3
109.10117	1.2
113.06011	1.8
116.10713	0.5
117.06978	0.7
119.08560	0.8
121.10143	0.6
123.11688	0.5
125.09653	0.5
130.08623	1.0
131.07031	1.6
131.08562	0.6
132.24570	0.3
133.10118	0.5
135.11626	0.4
144.10194	16.7
145.10425	0.5
162.11255	4.7
181.81842	0.3
184.35582	0.3
189.11256	0.3
194.58466	0.3
200.12848	0.8
218.13899	1.8
227.12708	0.3
236.14917	100.0
237.15262	5.6
238.15358	0.6
275.20169	0.6
291.19623	0.3
313.27307	1.6
369.30066	0.6
370.21628	0.4
372.46573	0.3
388.23343	1.0
412.37830	0.9
448.34006	0.4
454.35367	0.3
456.36826	6.5
457.37268	0.8
472.36230	0.6
474.37906	12.9
475.38168	1.8
492.32990	1.9
493.34711	0.3
510.34290	4.3
511.34631	0.7
626.46210	1.1
693.11346	0.3
705.07843	0.4
730.56042	0.9
736.28442	0.3
748.57098	60.4
749.57379	10.6
766.58160	17.1
767.58917	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.5821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	1.3
55.05508	1.5
57.03434	4.7
57.07078	4.6
58.06602	36.8
58.07012	1.1
59.04979	0.3
59.07382	9.4
60.08165	9.9
67.05508	2.9
69.07069	2.4
71.08637	3.1
72.64549	0.3
73.02907	0.5
75.04498	2.9
75.04897	0.5
78.19727	0.3
79.05482	2.8
81.07059	4.0
83.04960	0.6
83.08575	1.2
84.08140	1.8
85.02910	2.7
85.10182	2.0
86.09682	0.6
87.04466	3.5
91.05497	1.8
93.05534	0.4
93.07056	2.1
95.04976	0.4
95.08615	2.7
96.82693	0.4
97.06507	1.1
97.10126	0.6
100.11236	1.0
102.05507	1.4
104.65955	0.3
105.05475	0.9
105.07008	1.3
107.04971	0.6
107.08557	1.2
109.10126	1.4
113.05974	1.4
117.07050	0.4
119.08549	1.0
120.11398	0.4
121.10098	0.6
123.11705	0.4
123.69151	0.3
129.07002	0.5
130.08614	1.1
131.07054	2.0
131.08517	0.9
133.10121	0.5
144.10199	15.8
145.10213	0.6
159.06540	0.3
162.11255	6.4
163.11292	0.4
165.63286	0.3
200.12784	0.8
218.13892	1.9
235.29887	0.3
236.14922	100.0
237.15286	3.5
272.15131	0.5
275.19882	0.4
290.16028	0.6
295.38666	0.3
306.96268	0.4
313.27383	1.3
369.29886	0.5
393.36069	0.3
412.37918	0.8
449.33701	0.3
456.36792	7.4
457.37222	0.9
474.37906	19.5
475.38309	1.6
492.33267	2.8
493.33289	0.5
510.34225	5.9
511.34860	0.5
518.10895	0.4
628.48114	0.9
631.86261	0.4
654.49591	0.8
668.50787	2.5
669.51660	0.5
708.54138	0.9
720.57477	1.1
730.56171	5.4
731.56299	1.2
748.57147	84.7
749.43604	0.5
749.57416	15.2
766.58215	18.2
767.58295	3.7
775.37805	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.5819
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60119	0.4
55.01850	0.8
55.05481	1.4
57.03436	5.7
57.07074	5.3
58.06599	37.7
58.07011	1.0
59.06910	0.5
59.07381	10.2
60.08163	10.0
64.38203	0.3
67.05505	3.4
69.07073	1.9
69.65483	2.0
70.25064	0.3
71.08626	3.2
73.02898	0.8
73.76372	0.3
75.04489	3.5
79.05483	2.4
81.07058	2.8
83.04944	0.6
83.08574	1.3
84.08107	1.4
85.02905	2.9
85.10182	1.9
86.09641	0.5
87.04467	4.1
91.05484	2.5
91.92599	0.3
93.07004	1.6
95.04930	0.5
95.08605	2.4
97.06446	0.5
97.10107	0.5
99.23203	0.3
100.11211	0.8
102.05526	1.3
103.03905	0.6
105.05477	0.7
105.06999	0.9
107.04912	0.5
107.08577	0.9
109.10107	1.3
110.81307	0.3
113.05964	1.2
116.10730	0.7
117.07009	0.7
119.08584	0.6
121.10098	0.4
123.11675	0.6
129.05466	0.4
129.07016	0.7
130.08607	0.6
131.07028	1.8
131.08554	0.6
144.10196	16.7
145.10188	0.3
158.48335	0.3
159.06563	0.4
162.11249	6.1
200.12846	0.8
218.13821	1.7
220.03178	0.4
236.14915	100.0
237.15262	3.7
272.15219	0.3
290.15979	0.5
313.27325	1.5
316.82187	0.3
368.27545	0.4
412.26938	1.1
412.37943	0.7
430.27966	1.9
456.36826	5.5
457.37369	0.7
474.37891	16.9
475.38211	1.5
492.32904	1.9
510.34103	2.9
511.34314	0.4
528.35272	0.6
654.49530	2.2
668.50946	20.2
669.51263	4.1
684.48999	0.6
708.54236	4.3
709.54907	0.7
730.43176	0.4
730.56024	10.2
731.56238	2.2
748.57129	25.4
749.57300	4.3
766.58191	22.6
766.72455	0.8
767.58502	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	766.5816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01837	0.8
55.05508	1.4
55.72902	0.3
56.05008	0.3
57.03431	4.3
57.07076	4.1
57.07475	0.3
58.06598	31.8
58.30179	0.3
59.06913	0.4
59.07377	8.6
60.08161	8.9
60.76392	0.3
62.33172	0.3
63.83255	0.3
64.49864	0.3
67.05501	3.0
69.07072	2.0
69.24484	0.3
69.65508	1.6
71.04957	0.4
71.08635	2.6
75.04470	2.3
79.05485	2.5
81.07057	2.5
83.04933	0.7
83.08595	1.0
84.08141	1.6
85.02905	2.1
85.10175	1.4
86.09684	0.5
87.04467	3.4
91.05447	1.5
93.07030	1.4
95.08598	3.1
97.06493	0.5
97.10128	0.9
100.11214	0.6
102.05495	1.2
103.03892	0.3
105.05471	0.7
105.06990	1.3
107.04930	0.6
107.08564	1.1
109.10134	0.9
113.06008	1.7
116.10702	0.4
117.07016	0.4
119.08543	0.8
121.10091	0.4
125.09591	0.3
130.08594	0.8
131.06995	0.9
131.08524	0.7
133.10101	0.4
134.76852	0.3
144.10185	16.9
145.10193	0.7
147.11690	0.4
149.09595	0.5
159.11630	0.4
162.11243	5.8
162.17714	0.3
182.65771	0.3
190.21205	0.3
200.12791	0.8
218.13852	2.1
236.14908	100.0
237.15245	4.2
272.15097	0.4
290.15994	0.7
313.27347	0.8
334.13577	0.3
369.30005	0.8
390.24869	0.4
412.26410	0.4
412.37799	1.0
456.36816	6.6
457.37332	0.4
474.37854	16.4
475.38379	1.8
492.33072	1.9
493.34128	0.4
510.34235	5.2
511.34985	0.9
624.09058	0.4
626.46124	0.5
628.47760	2.5
668.51251	0.8
720.57825	1.3
730.55957	2.1
731.57489	0.5
748.57086	63.1
749.57465	12.5
749.71326	0.3
766.58130	13.5
767.44720	0.5
767.58167	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.8
55.05519	1.7
57.03439	5.1
57.07080	4.9
58.06602	37.6
59.07383	10.0
60.08166	10.4
67.00267	0.3
67.05500	3.2
69.07072	1.9
69.50791	0.3
70.81401	0.6
71.04956	0.6
71.08629	4.5
73.02895	0.5
75.04482	2.7
79.05487	1.9
81.03393	0.4
81.07056	2.8
83.04979	0.3
83.08584	1.2
84.08151	2.0
85.02905	2.7
85.10188	1.7
86.09673	0.8
87.04472	3.3
91.05466	0.8
93.07008	1.1
95.04936	0.7
95.08603	3.1
97.06498	0.8
97.10126	1.3
97.10741	0.3
99.08091	0.6
100.11231	0.8
102.05496	1.4
103.03899	0.7
105.05500	0.5
105.06985	1.0
107.08557	0.8
109.10107	1.1
113.05976	1.4
114.53214	0.3
117.38324	0.3
119.08554	0.5
121.06480	0.7
121.10121	0.3
129.05446	0.4
130.08609	0.9
131.07014	1.1
131.08556	0.3
133.10101	0.4
144.10201	16.5
157.10190	0.3
158.15454	0.3
162.11267	5.6
177.12730	0.3
200.12762	0.8
218.13791	1.5
236.14922	100.0
237.15247	4.5
272.56732	0.3
275.19928	1.6
293.21124	2.7
313.27322	1.2
330.06546	0.4
369.29858	0.7
412.37906	0.9
423.27496	2.1
428.26431	0.5
430.28152	0.4
456.30865	0.7
456.36893	7.8
457.37265	0.5
474.37881	20.1
475.38345	2.2
492.33081	1.1
510.34250	3.8
528.35266	2.9
661.50372	7.3
662.50317	1.1
666.49408	5.5
667.49994	0.8
668.50708	3.5
669.51166	0.7
689.49469	0.4
708.53613	0.4
730.56793	1.6
732.57349	0.5
748.57129	28.0
749.57526	5.5
766.58203	71.8
767.58508	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	768.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
55.05503	0.9
56.72122	0.3
57.03440	1.4
61.02932	0.3
65.03924	0.6
69.03433	13.9
71.04986	1.2
71.29559	0.3
75.36641	0.2
79.05489	0.3
81.03421	8.6
83.01369	0.3
83.04982	1.4
85.02377	0.3
85.02901	5.5
85.06554	0.5
85.84407	0.2
86.03253	0.3
87.04462	0.4
91.05489	4.7
95.04984	2.0
96.04485	0.6
97.02901	9.2
99.04460	5.3
100.04819	0.3
101.02364	0.3
103.05492	0.3
104.22205	0.3
107.04958	2.0
108.45655	0.2
109.02917	1.7
111.04457	2.4
113.05986	1.1
114.05573	0.5
115.03927	1.1
119.04950	14.0
120.05266	0.6
121.02888	0.5
121.06557	1.4
122.99358	0.3
123.04436	10.8
127.03918	4.3
131.05022	0.4
135.04375	0.5
145.02821	0.4
145.04974	1.8
147.04413	100.0
148.04749	5.1
149.04860	0.4
149.05971	0.3
157.06531	0.5
159.04477	0.3
163.03928	2.7
165.05486	7.1
166.05801	0.6
171.08083	0.3
185.06030	1.1
187.06047	0.4
187.07570	0.5
189.05479	0.4
190.10066	0.3
195.06497	0.7
197.06004	0.6
199.07608	0.3
201.05461	0.7
213.07530	0.3
214.34827	0.3
219.06537	0.5
225.07660	0.4
227.07059	0.6
240.24506	0.3
243.06503	0.5
243.08679	1.0
245.08217	0.3
259.08243	0.3
261.07642	0.4
267.08701	2.2
285.09692	0.5
291.08670	2.4
309.09689	28.1
310.10001	2.0
327.10727	0.3
339.10831	0.3
389.12616	0.7
405.11673	1.6
407.13361	2.0
423.12469	0.4
455.13016	0.4
498.38293	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	6.8
55.05511	37.0
57.03439	6.0
57.07084	1.0
59.05012	1.3
61.02917	1.8
65.03920	1.6
67.05505	21.1
68.05833	1.2
69.03439	5.8
69.07059	6.7
70.06462	2.3
70.06827	2.1
71.04992	2.7
73.02910	0.9
79.05494	26.1
81.03426	5.4
81.07061	22.3
83.01331	4.1
83.04989	9.1
83.08147	1.5
83.08620	21.4
85.02888	4.2
85.06553	1.7
91.03947	1.3
91.05483	27.5
93.07044	19.2
95.04955	4.0
95.08604	7.0
97.02885	2.7
97.06506	3.4
97.10169	41.7
99.04478	1.3
104.06298	0.9
105.07029	10.4
107.04945	6.3
107.08592	23.1
109.06502	4.1
109.10137	5.6
111.04431	1.8
111.08070	2.0
115.05461	3.0
117.06219	1.3
117.07018	18.2
119.08579	39.8
120.08881	1.5
121.06512	2.8
121.10160	3.0
123.04453	1.0
123.08086	4.7
125.09631	39.4
126.09972	1.3
127.03933	1.9
129.07021	2.2
131.08574	6.2
133.10132	3.5
135.08052	9.2
135.11736	5.6
137.09619	2.0
137.96294	1.1
143.08575	5.3
145.06476	14.6
145.10123	7.3
147.08038	3.4
147.11653	1.3
149.09579	1.3
153.09087	4.2
155.08565	3.7
157.10110	2.7
159.08052	8.6
161.09621	1.4
163.11180	9.4
169.10039	1.4
171.07898	1.1
171.10153	4.4
171.11528	1.7
173.09613	2.9
174.16385	1.1
179.08490	1.0
181.12201	1.8
184.07285	2.0
188.11124	1.0
189.11226	26.6
191.10658	2.2
209.11714	2.2
227.12776	100.0
228.13176	4.4
236.15120	2.3
243.17413	1.9
244.43095	1.0
253.15866	1.6
271.16937	31.4
272.17267	2.4
283.12311	1.4
283.15375	24.4
284.15793	2.3
289.17963	12.5
345.20575	6.5
363.21646	11.5
435.23248	1.2
453.24823	34.3
454.24957	2.9
459.72522	1.1
508.25641	1.2
535.30725	1.9
553.31494	12.6
554.31384	1.8
571.32629	39.2
572.32672	5.2
682.31097	2.4
768.41058	17.3
769.39551	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	768.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	7.9
55.05511	13.7
55.51612	1.3
57.03442	18.9
57.07101	1.5
58.06596	4.5
61.02920	2.6
67.05506	24.0
69.03431	3.6
69.07070	6.3
70.06586	3.6
71.01331	2.1
71.04997	3.9
71.29037	1.6
72.95567	1.8
79.05494	23.7
81.03399	8.0
81.07061	24.0
83.01349	7.0
83.04979	23.1
83.08619	7.7
84.76147	1.4
85.02904	4.4
85.06550	2.8
86.09689	3.4
91.05483	25.4
93.07037	24.7
95.04974	7.3
95.08605	14.3
97.02885	3.9
97.06531	4.4
97.10170	2.6
99.04450	3.4
105.07023	17.0
107.04958	25.6
107.08585	12.3
109.06525	10.4
109.10178	5.6
111.04451	12.0
111.08073	1.8
115.05439	2.6
117.07034	14.6
119.08593	14.5
121.06512	7.2
121.10138	7.8
123.08061	9.0
125.05997	4.1
125.09626	2.2
129.07016	5.2
130.07780	2.7
131.08551	9.4
133.06482	4.3
133.10124	4.5
135.08058	8.0
135.11687	6.5
139.07558	2.2
143.08589	4.6
145.06454	2.1
145.10118	15.4
147.08069	4.5
147.11739	2.0
149.05931	2.1
149.09637	2.3
149.75658	1.4
151.07527	2.0
153.12767	2.2
155.08560	4.2
157.10234	2.9
159.08067	3.9
159.11685	3.8
161.09644	4.2
163.07504	2.0
163.11174	18.7
169.10103	2.9
171.08066	1.5
171.11723	3.5
173.09624	6.2
173.13254	2.9
177.09103	1.5
177.12779	3.1
178.13434	1.9
178.29921	1.5
181.12354	2.1
183.11697	1.8
184.07404	10.3
187.11159	1.7
189.12682	3.6
191.10747	1.7
205.15898	3.7
209.11720	4.7
215.14293	1.8
227.12811	2.9
233.15411	7.3
236.15031	4.9
243.17424	3.1
247.56953	1.6
253.16071	1.8
261.18494	5.0
271.16895	6.5
274.88150	1.7
283.15405	66.7
284.15695	3.4
289.17990	30.1
290.18335	2.4
347.90387	1.4
363.21671	29.6
364.21780	2.0
433.22549	1.5
543.33099	1.5
571.32617	100.0
572.32843	14.6
596.84198	2.0
682.29956	2.2
768.41199	7.8
769.41992	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	768.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.8
55.05504	1.2
57.03444	1.8
57.07078	1.2
58.06598	1.4
60.08171	0.8
65.85180	0.4
67.01865	1.2
67.05501	3.8
69.03441	3.0
69.07069	100.0
70.07400	1.7
71.04994	1.7
71.08627	0.8
71.93559	0.4
73.02915	1.0
79.05513	2.1
81.03417	5.4
81.07064	2.2
83.04980	0.6
83.08627	1.3
85.02905	4.5
85.06534	0.7
86.09705	1.1
87.04485	0.9
87.08104	19.4
89.06029	1.3
91.05464	2.1
93.07052	1.7
95.04978	1.2
95.08613	1.7
97.02889	4.9
97.06539	4.2
97.10172	0.6
99.04457	8.8
101.02390	0.5
105.07028	1.8
105.09166	1.5
107.04955	0.5
107.08566	0.8
109.02881	16.0
109.10201	0.7
111.04444	4.9
113.06078	0.6
115.03897	0.7
115.07601	1.2
117.07035	0.9
119.08616	1.1
121.10163	1.0
124.99995	0.5
125.02339	0.7
127.03919	31.0
127.45944	0.4
128.04294	0.5
128.10735	1.7
131.08606	1.0
133.08632	2.6
133.10135	1.1
135.11717	0.7
141.07031	0.5
144.10226	0.6
145.04970	4.3
145.10181	0.7
149.09634	0.6
157.10094	0.5
159.11763	0.6
162.11308	0.5
163.06061	1.9
169.08665	0.7
173.15378	32.5
174.15848	0.7
184.07365	2.3
187.09708	2.3
195.10196	2.4
201.14888	1.4
219.15962	1.5
223.09682	0.8
223.49237	0.4
229.14357	19.7
230.14697	1.3
231.12296	1.2
236.14922	4.7
241.10710	15.2
247.15450	1.3
259.11783	3.4
277.12759	3.5
281.13690	0.6
301.16476	2.0
311.25906	0.5
316.11154	0.4
335.26071	0.8
337.16693	0.9
343.21091	3.1
349.23926	0.6
355.17496	7.0
356.18127	0.6
373.18503	5.5
391.19626	5.6
392.19806	0.8
469.24188	2.7
487.25436	1.1
505.26367	1.4
607.43640	1.1
624.25470	0.8
625.25574	0.7
668.50800	0.9
750.58185	1.4
768.47937	0.9
768.59912	1.0
769.38739	0.9
769.49463	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	5.7
55.05513	22.1
57.03444	5.9
57.07077	1.3
58.06612	2.4
59.05009	0.8
60.08175	1.6
61.02932	1.2
61.57621	0.8
65.03941	2.8
67.05505	41.5
69.03424	6.6
69.07068	23.5
71.04997	3.8
71.08641	0.9
79.05491	54.3
79.33099	0.8
80.05823	1.6
81.03420	10.1
81.07056	34.3
83.04977	11.0
83.08624	9.3
85.02908	2.3
85.06544	2.8
86.09708	1.0
88.61031	1.0
91.05479	41.5
92.05773	1.1
93.07043	41.5
95.01340	1.0
95.04971	16.6
95.08605	18.1
97.02888	5.8
97.06506	5.3
97.10168	11.4
99.04516	1.0
105.04520	2.7
105.07031	25.2
107.04945	9.6
107.08585	16.6
107.11419	0.9
108.09010	1.2
109.02900	1.7
109.06529	4.9
109.10167	8.0
111.04510	1.0
111.08131	1.7
115.05441	1.5
117.07017	10.9
119.04964	1.7
119.08578	20.2
121.06517	4.7
121.10162	4.2
123.08065	6.2
123.11710	1.3
125.09664	6.2
127.03938	1.7
127.07554	1.0
128.06252	2.3
129.07008	12.6
130.07793	0.9
131.08554	9.1
133.06512	3.5
133.10133	9.8
134.07291	1.7
135.08063	3.3
135.11661	2.4
137.09628	1.9
143.08545	6.9
145.10121	10.4
147.08051	7.2
147.11691	20.6
148.11925	0.9
149.09622	2.0
149.13327	1.3
153.09059	1.3
157.10156	2.1
159.11700	2.6
161.09648	3.4
161.13242	6.1
162.00085	0.9
163.11198	1.5
165.09142	1.3
167.08609	0.9
171.11682	11.7
172.12033	1.1
175.11220	2.1
181.10081	1.2
183.11691	1.2
184.07387	2.1
185.13144	1.0
189.11192	3.2
189.12776	5.2
193.12225	1.4
205.12236	2.0
207.13795	16.6
208.14218	0.9
223.13284	10.8
225.14983	1.6
227.12752	5.0
236.14955	6.4
245.19069	1.1
249.14885	2.3
255.56790	0.9
258.68875	1.0
267.16034	1.2
273.18503	12.3
275.20175	1.3
278.28439	1.0
281.17462	55.6
282.17902	2.9
291.19528	71.8
292.19891	4.3
347.22089	2.5
365.23218	27.6
366.23553	2.2
473.28983	2.6
553.35370	3.0
571.36279	100.0
572.36603	12.6
607.43579	1.9
668.51080	1.8
732.56738	1.2
750.58557	2.4
768.59918	1.7
769.42499	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	11.3
55.05511	26.1
56.73366	1.5
57.03442	11.2
57.07072	3.8
58.06601	7.1
59.07381	2.0
59.21049	1.5
61.02921	1.8
65.03932	6.3
65.51728	1.6
67.05502	89.0
69.03426	5.4
69.07064	18.1
69.44094	5.7
69.44500	2.3
71.04987	8.3
77.03951	2.2
79.05489	91.4
81.03407	13.4
81.07053	92.7
82.07395	2.5
83.04979	18.5
83.08610	12.5
85.02859	2.6
85.06561	6.8
86.09736	1.7
87.04447	2.1
91.05477	100.0
92.05831	2.3
93.07038	88.5
93.18915	1.5
94.07372	1.7
95.04967	30.3
95.05557	2.1
95.08603	36.5
97.02859	2.6
97.06526	9.4
97.10172	4.1
98.23312	3.4
99.08083	2.4
101.40042	1.4
103.05447	3.9
105.04556	2.6
105.07024	81.0
107.04949	17.6
107.08588	50.5
108.08913	1.9
109.02873	2.0
109.06535	13.4
109.10150	49.7
111.04435	1.8
111.08107	3.1
113.05978	3.0
115.05455	2.4
117.07018	15.5
119.08572	35.9
120.95524	1.8
121.06498	12.4
121.10139	9.3
123.08044	8.1
123.11703	6.3
125.00010	1.9
125.09658	1.7
127.07581	3.0
128.06230	4.9
129.07010	21.4
131.08575	15.0
133.06487	5.7
133.10118	70.5
135.08041	11.0
135.11716	7.3
137.09628	4.1
139.07500	1.6
143.08533	13.1
144.10240	2.2
145.10120	16.4
146.62181	1.7
147.08058	6.4
147.11674	29.7
149.09601	8.8
151.11159	24.0
155.08548	2.0
157.10133	1.9
159.08073	3.7
159.11710	5.0
161.09589	11.0
161.13271	10.8
163.11195	4.8
165.09085	2.4
167.08556	2.3
169.10109	1.7
169.12241	3.6
171.11662	25.3
173.09642	2.4
175.11192	4.0
177.09149	3.0
179.10651	2.4
179.14255	2.5
184.07292	5.3
189.12746	12.8
193.12297	2.2
207.13795	30.0
227.17972	2.7
236.14874	17.7
245.19017	6.5
251.12825	5.7
253.14334	96.9
254.14731	7.2
255.17532	2.1
263.20093	4.4
273.18451	40.9
274.18851	2.8
281.17456	62.5
282.17801	3.6
291.19522	40.3
292.19727	2.9
309.20654	3.9
347.22092	13.6
365.23212	31.2
366.23407	3.6
403.24548	2.2
468.24982	2.1
475.26828	3.1
477.28421	31.6
478.28668	3.9
505.73868	2.2
553.35345	18.2
554.35327	1.7
571.36267	89.2
572.36902	9.5
589.37073	2.3
668.50842	4.7
702.86737	1.7
750.58032	6.2
768.41217	4.9
768.59680	3.8
769.42078	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	768.5131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.4
55.05518	50.9
57.03443	21.1
57.07082	6.9
58.06599	5.1
60.08160	3.3
61.02925	7.3
65.03957	3.7
67.05157	1.5
67.05507	32.1
69.03435	42.9
69.07075	31.0
71.04998	3.4
71.08639	5.3
73.02922	2.9
79.05503	21.2
81.03428	15.6
81.07074	22.3
83.04987	31.6
83.08626	8.8
85.02907	14.5
86.09708	6.4
87.04462	4.5
87.08115	3.0
91.03965	3.3
91.05488	13.4
93.03416	9.0
93.07049	23.9
95.04982	7.8
95.08607	19.1
97.02924	4.7
97.06558	4.7
97.10176	100.0
98.10498	2.3
98.22614	2.9
98.98519	2.9
99.04469	9.2
103.03958	2.6
105.07017	8.8
107.08616	17.1
109.06543	3.1
109.10179	8.1
111.03690	4.4
111.04454	80.8
112.04748	2.2
117.07005	5.2
119.08581	8.2
121.06503	1.8
121.10188	12.7
123.08056	5.2
123.11746	2.2
125.00013	6.5
125.09638	51.2
126.09978	3.0
129.05492	24.1
131.08592	6.7
133.10121	5.2
135.11714	5.5
143.10680	47.9
145.10132	5.4
147.06523	24.9
147.11671	3.0
149.13271	5.0
161.13275	3.3
163.11238	2.6
163.14948	2.8
165.07632	15.6
167.07059	11.5
173.13397	2.4
184.07341	33.2
185.08133	7.2
191.14337	4.2
203.09154	30.8
221.10220	8.1
235.13377	3.3
236.15089	9.5
237.15186	2.6
247.85922	1.8
253.14381	7.9
255.15958	5.4
259.11752	13.3
261.22174	4.7
271.15359	12.8
283.15433	6.0
289.16507	23.7
299.25870	2.8
307.17581	3.7
311.18518	30.0
313.27429	5.8
315.14349	5.1
327.18054	9.8
335.25833	47.3
336.26251	5.0
345.19116	48.8
363.20013	3.2
401.21735	16.8
413.25284	7.2
431.26633	10.1
469.27985	4.7
470.64288	2.3
487.29025	25.3
488.29346	3.2
507.37134	3.2
553.40564	2.3
571.39874	25.1
573.36432	3.2
652.45642	3.1
750.58643	3.2
768.45502	33.6
769.46271	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	768.5616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.7
55.05512	42.3
56.05821	1.6
57.03439	24.6
57.07080	17.6
58.06599	25.0
58.62547	1.5
58.99587	1.7
59.07380	6.8
60.08167	5.0
61.02919	5.2
64.76777	1.5
65.03937	4.0
67.05505	100.0
67.94355	1.6
68.05862	2.2
69.03423	2.3
69.07068	48.5
69.26949	9.9
69.27364	2.3
71.04991	3.3
71.08631	8.3
73.02916	2.8
74.39431	1.5
75.04491	2.5
79.05493	54.4
80.96127	1.6
81.07056	99.8
82.07439	1.7
83.04957	3.2
83.08622	26.3
85.02905	8.3
85.06550	5.2
85.10178	4.9
87.04475	2.6
91.05479	29.0
93.07042	52.8
95.04984	3.5
95.08606	74.4
97.02911	1.8
97.06519	6.3
97.10162	15.3
99.08085	3.9
105.07040	17.7
107.08597	31.4
109.06525	2.3
109.10165	28.9
111.08085	4.2
111.11718	2.4
117.07024	5.1
119.08579	14.8
121.10131	31.1
123.11691	11.5
125.09636	3.7
131.08569	7.9
133.10112	11.1
135.08070	1.6
135.11694	17.9
137.13264	6.1
137.79950	1.6
144.10178	9.8
145.10202	4.3
147.11674	7.8
149.13235	11.9
151.14670	2.6
157.10231	2.1
159.11700	4.6
161.13274	5.2
162.11385	2.4
163.14836	6.2
173.13249	4.0
175.14891	2.3
177.16409	1.9
187.14818	3.0
195.00337	3.3
217.19678	3.8
219.21104	3.2
235.20486	2.3
236.14919	51.9
237.15230	4.4
237.22122	3.3
243.21095	6.7
245.22546	2.1
261.22137	18.8
262.22598	1.9
263.23541	1.8
306.31967	2.0
309.24225	28.6
311.25772	58.5
312.25986	4.6
315.29568	1.7
317.24829	6.9
335.25772	51.2
336.26147	3.4
337.27362	33.0
456.36951	3.6
474.38058	7.9
475.37717	1.8
497.43484	2.5
571.47156	34.4
572.47412	6.7
589.48004	11.8
589.56860	2.5
668.50555	8.5
669.51080	2.0
732.57166	4.2
750.58673	17.5
751.58667	3.1
768.59003	7.1
784.19440	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	768.5974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.5
55.05478	1.2
57.03437	5.1
57.07076	5.0
58.06600	34.9
59.06906	0.6
59.07380	10.7
60.08163	9.6
67.05502	3.6
69.07027	1.9
69.07367	0.4
70.80105	0.7
71.08633	3.6
73.02895	0.4
75.04478	2.8
79.05493	2.5
81.07059	3.2
83.04967	0.4
83.08595	1.0
84.08101	1.6
85.02903	2.2
85.10137	1.6
86.09690	0.6
87.04463	3.6
91.05442	1.7
93.07005	1.6
95.04954	0.6
95.08580	2.8
97.06506	0.5
102.05524	0.9
103.03920	0.7
105.05469	0.6
105.06994	1.2
107.08541	0.7
109.10095	1.3
113.05970	1.8
119.08580	0.6
131.06970	1.4
137.13185	0.4
144.10197	15.9
145.10452	0.4
151.11154	0.4
162.10107	0.5
162.11258	5.6
173.13115	0.4
218.13864	1.3
236.14915	100.0
237.15237	3.8
240.64847	0.5
241.09663	0.4
313.27383	1.1
369.29987	0.5
412.27005	1.1
412.38095	1.1
430.28079	1.6
448.67346	0.6
456.36920	6.1
474.37921	18.2
475.38263	1.9
476.33417	0.8
494.34805	3.1
512.35742	3.9
530.36676	0.6
628.47803	1.4
654.49377	1.7
668.50903	31.9
669.51190	5.0
684.51257	0.8
714.46643	0.5
732.57611	14.6
732.70636	0.8
733.58026	1.9
750.58734	38.6
751.59119	8.3
768.59735	27.9
769.59912	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	769.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00848	2.3
55.05492	3.2
56.92109	2.4
56.96306	3.3
56.96568	41.1
63.56310	2.4
64.96651	2.6
67.05512	6.1
69.03401	2.5
70.74032	5.7
79.05479	5.4
79.80328	2.6
81.03427	6.2
81.07068	4.5
83.05005	4.5
84.96033	5.4
91.05470	4.2
93.07031	6.4
96.43814	3.0
98.97601	24.5
105.07039	2.9
110.97595	3.7
112.99110	22.0
116.98623	9.1
119.08536	3.3
121.10180	2.9
128.98621	3.5
129.02235	2.7
131.00162	29.1
143.00198	6.3
146.99594	3.7
149.01236	23.8
157.01727	5.7
158.99648	10.7
161.01196	5.5
171.03342	4.5
173.01263	5.4
177.00725	10.3
183.03343	4.7
185.01176	3.5
187.02797	4.0
189.00571	3.6
191.02232	4.9
199.02773	8.6
203.02370	6.0
217.03633	4.2
217.07533	3.1
219.01981	3.1
233.03253	2.9
237.02753	5.5
237.08073	6.7
239.09557	15.0
247.06465	7.4
255.09059	50.8
255.11517	5.5
257.10614	12.1
265.07471	56.7
267.08948	16.6
273.10126	27.5
275.04480	6.3
275.19525	2.9
276.69260	2.8
279.09018	7.5
283.08502	100.0
284.08795	5.0
285.10080	13.7
289.89038	2.6
291.08972	3.7
293.05511	12.3
293.10538	3.2
297.10153	10.6
299.08588	2.9
299.11911	3.3
301.09607	36.3
306.10226	4.5
307.08524	8.0
309.09976	7.2
311.06696	5.0
321.10092	4.6
325.09598	23.6
337.09521	5.5
339.11072	8.3
385.11655	3.5
395.39697	2.8
432.57489	3.2
455.17746	3.8
469.18747	5.2
473.18552	10.4
483.15341	35.3
485.17093	5.9
487.19888	6.4
499.14716	7.3
501.16464	69.9
502.17105	6.4
515.19470	13.3
665.25269	12.8
691.25940	17.7
692.26685	3.2
709.27515	14.8
769.38287	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	11.9
55.05515	27.3
57.03441	11.0
57.07088	1.4
59.04995	2.4
61.02933	2.0
63.64374	0.9
65.03944	2.8
67.05508	26.8
67.16177	0.9
69.03440	8.8
69.07071	22.9
69.52381	1.6
69.52787	3.3
71.04990	3.6
73.02877	1.1
73.34141	1.0
79.05493	32.0
81.03423	13.9
81.07062	28.2
83.01360	6.6
83.04984	11.8
83.08630	16.0
85.02895	4.5
85.03378	0.9
85.06519	1.1
91.05487	24.2
93.07049	29.3
94.04281	1.2
95.04980	10.2
95.08604	13.1
97.02886	11.7
97.06549	4.7
97.10173	11.9
99.04456	2.1
105.04489	1.4
105.07036	18.6
107.04971	10.9
107.08598	17.8
109.02894	1.8
109.06526	7.0
109.10161	8.4
111.04436	1.5
111.08096	3.2
117.07023	9.6
119.04948	1.3
119.08588	13.6
121.06511	4.0
121.10156	8.0
123.08071	7.7
123.11670	1.0
125.09641	8.7
129.07018	4.2
130.07794	2.1
131.08583	8.6
133.06487	2.6
133.10124	6.4
135.08072	3.6
135.11717	9.8
137.09666	2.2
143.08562	3.3
145.06471	1.8
145.10132	12.1
147.08095	7.2
147.11679	2.3
149.09616	2.1
149.13248	1.4
151.11183	1.1
153.12775	2.2
155.08470	1.2
157.10210	2.0
159.11673	1.8
161.09584	2.5
163.11201	17.3
164.11569	1.3
165.05269	0.9
166.39407	1.1
169.10078	1.1
171.10269	1.3
173.09633	2.6
175.11232	1.9
176.77786	1.0
181.12296	2.2
186.65202	1.2
189.09650	1.1
189.11237	3.8
191.10677	2.4
195.13811	1.4
205.12282	2.1
209.11713	5.9
221.11795	1.2
223.13303	16.7
227.12852	7.0
245.19119	2.6
249.14894	2.8
253.14403	1.2
263.16458	1.0
273.18469	14.1
274.18866	1.6
283.15411	65.0
284.15738	4.1
286.21741	1.0
291.19559	100.0
292.19864	4.2
365.23242	39.5
366.23550	3.5
394.28094	1.1
453.24985	1.5
493.27795	3.9
505.28616	1.1
555.33026	2.7
573.34259	76.3
574.34479	8.6
595.08313	1.1
655.20404	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	9.8
55.05513	15.9
57.03440	7.1
57.07080	1.4
59.04991	2.1
61.02923	2.0
62.53527	0.6
64.64297	0.6
65.03934	2.2
67.05506	41.2
69.03427	5.1
69.07070	11.7
69.38377	1.1
69.38782	2.8
71.01324	1.3
71.04998	5.2
71.29773	0.7
73.02889	2.0
79.05496	34.0
81.03416	10.7
81.07061	46.5
82.07376	0.8
83.01350	5.2
83.04986	13.8
83.08627	8.8
85.02898	4.4
85.06564	4.5
91.03933	1.1
91.05481	41.1
92.05817	1.1
93.07046	35.7
94.07363	1.1
95.04972	10.3
95.08609	13.6
97.02889	3.0
97.06540	5.6
97.10169	2.3
99.04463	3.4
103.05434	1.1
105.04531	1.2
105.07030	35.0
106.07395	1.3
107.04958	9.5
107.07864	1.5
107.08596	31.3
108.08913	1.0
109.02893	1.3
109.06516	9.6
109.10157	34.6
110.10502	0.9
111.04433	1.2
111.08069	2.3
113.05998	2.1
115.05493	1.1
116.06295	0.7
117.07024	8.6
119.08595	12.0
121.06511	6.3
121.10151	7.3
123.04415	0.7
123.08060	6.5
123.11694	5.9
125.05952	1.1
125.09615	1.6
127.03887	0.8
127.07526	2.5
128.06250	1.5
129.07018	3.4
130.07814	1.3
131.08563	8.5
133.06526	3.4
133.10129	51.2
134.10464	1.5
135.08032	6.1
135.11702	9.9
137.09610	2.1
139.07581	1.5
143.08559	4.1
145.06520	1.1
145.10127	11.6
147.08043	3.4
147.11707	3.9
149.09624	4.2
151.11189	23.8
152.11540	1.0
153.12782	1.2
155.08530	1.2
157.10110	1.7
159.07980	1.2
159.11748	1.8
161.09616	4.4
161.13283	1.5
163.11183	14.0
169.12190	3.4
171.11690	2.1
173.09612	2.1
175.11165	1.8
177.09187	1.1
179.10701	1.5
181.10135	1.1
181.12193	1.9
185.13162	0.7
187.11212	1.1
189.12718	1.1
191.10648	2.3
199.11177	0.8
209.11691	4.0
215.12833	1.9
217.19380	0.7
227.12744	2.0
245.18939	3.5
251.12825	2.9
253.14352	100.0
254.14638	3.2
255.17557	1.7
263.20074	3.0
271.15289	1.0
273.18451	16.0
275.20093	1.4
281.17471	0.7
283.15393	34.9
284.15833	2.1
291.19574	17.9
292.19794	1.5
309.20724	1.7
347.22223	5.1
365.23245	19.5
366.23938	1.6
371.46036	0.7
382.86224	0.8
475.30521	2.5
477.24655	2.1
479.26422	23.3
479.33286	1.1
480.26715	2.4
555.32825	4.9
573.34216	36.8
574.34509	3.8
771.38562	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	15.7
55.05514	33.1
57.03432	11.0
57.07079	2.7
61.02931	2.6
65.03949	4.8
67.05510	86.0
69.03434	8.9
69.07074	32.3
69.07409	6.1
69.07824	10.4
69.28551	1.7
71.04987	7.2
72.08157	3.3
73.02899	1.9
73.06556	2.6
79.05500	96.8
80.05860	3.2
80.64862	1.7
81.03430	19.0
81.06583	4.3
81.07063	77.8
82.16928	1.8
83.04990	19.0
83.08620	14.1
85.02924	3.5
85.06565	4.3
86.09707	24.2
87.17005	1.5
91.04900	2.8
91.05487	84.0
93.07050	100.0
95.04983	25.7
95.08612	40.6
97.02905	5.3
97.06522	21.8
97.10175	10.0
97.70228	1.8
99.04422	3.4
99.08085	2.5
103.05483	3.3
105.04523	3.7
105.07038	74.9
107.04962	18.6
107.08601	44.2
109.06511	13.1
109.10168	19.0
111.08102	4.4
117.07013	21.6
119.08585	41.2
120.08102	12.1
121.06507	7.1
121.10128	18.6
123.08064	11.0
123.11723	6.3
125.09628	4.7
127.03912	3.4
128.06209	3.8
129.05574	1.9
129.07013	22.1
130.07802	4.0
131.08551	18.1
133.06483	2.5
133.10150	34.1
135.08049	6.9
135.11713	16.2
141.06992	2.3
143.08539	10.9
145.06505	2.4
145.10153	26.6
147.08070	5.8
147.11691	41.7
149.09612	14.1
149.13269	7.1
150.24892	2.3
151.11188	9.9
153.12674	2.0
153.41594	2.1
154.15880	3.7
155.08606	3.6
157.10107	3.1
157.13356	2.9
159.11687	8.7
161.09627	6.2
161.13226	12.2
163.11197	14.3
169.10214	4.1
169.12320	2.3
171.11696	26.9
173.04619	2.9
173.13254	4.5
177.12772	3.5
179.14349	3.8
183.11620	2.7
184.07376	13.9
185.12978	2.5
185.16438	2.9
189.12793	10.4
195.13782	2.6
199.18066	4.0
207.13806	25.3
209.11711	2.5
227.12779	9.5
229.19490	2.7
239.17953	3.8
253.14333	26.9
255.15906	5.5
257.19016	5.4
269.17398	10.1
271.15417	3.3
273.18506	6.8
275.20038	27.4
281.17502	58.9
282.17761	4.7
283.15479	14.9
291.19565	8.3
293.20953	2.9
333.24094	1.9
334.48444	1.9
349.23816	18.0
365.23276	15.9
459.31183	2.8
461.29056	18.6
475.30615	71.3
476.30807	5.9
479.26169	3.0
515.33051	4.1
537.35138	2.9
555.36981	35.0
556.37549	4.5
573.34064	7.6
619.34161	2.4
742.31616	2.4
778.14807	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	8.4
55.05271	2.6
55.05515	26.8
57.03442	12.4
57.07079	2.2
58.91851	1.8
59.02897	1.5
59.05020	1.9
59.66183	1.7
60.05625	1.7
61.02925	2.1
63.02812	1.7
65.03947	5.3
66.29435	1.5
67.05506	85.7
68.05843	2.3
69.03424	7.0
69.06725	3.3
69.07071	36.3
69.44501	9.5
71.04980	4.9
71.08620	1.8
73.06556	2.1
75.35503	1.5
77.03960	3.6
79.05496	98.8
80.05824	4.6
81.03430	14.1
81.07060	82.9
82.07397	4.4
83.04987	19.6
83.08626	13.8
85.02919	4.7
85.06544	5.9
91.05484	100.0
92.05790	3.5
93.07047	99.9
94.07369	3.8
95.04979	26.0
95.08608	46.1
96.08923	2.7
97.02897	7.3
97.06525	12.5
97.10187	9.9
98.23326	3.2
99.08102	6.3
103.05450	5.1
103.85928	1.8
105.04526	2.5
105.07035	74.4
106.07349	3.9
107.04953	12.4
107.08602	38.6
108.08979	3.0
109.02854	2.8
109.06516	9.4
109.10171	16.8
110.10545	2.0
111.04454	4.3
111.08093	5.4
115.05441	2.8
117.07025	21.0
119.08584	50.4
120.08919	2.4
121.06514	5.6
121.10161	18.4
123.08074	8.6
123.11708	3.4
125.09594	2.9
127.03930	4.1
128.06241	4.9
129.05489	4.6
129.07031	21.7
131.08565	21.3
133.06491	2.7
133.10133	34.6
134.10457	2.9
135.08057	5.7
135.11697	13.7
137.09621	3.1
141.06995	2.9
143.08563	13.6
145.10132	22.8
147.08018	4.1
147.11690	50.7
148.11995	2.4
149.09601	8.6
149.13223	8.4
151.11211	3.4
155.08556	2.9
157.10114	6.2
159.11691	15.7
161.09616	5.7
161.13237	21.4
163.11201	6.5
163.14838	2.1
169.10156	2.3
171.11693	36.7
172.12076	5.0
173.13318	7.8
175.11255	2.6
175.14856	6.2
177.12776	5.7
179.14481	2.3
181.10033	2.2
183.11707	2.5
184.07323	5.1
185.13319	4.2
189.12781	13.4
195.11877	2.5
195.13849	3.7
197.13261	3.9
199.14925	2.5
207.13791	25.6
225.14757	2.2
227.12694	2.3
229.19510	1.8
236.14897	1.9
241.14262	2.2
241.19594	8.8
243.68642	1.6
249.26796	1.8
251.12900	1.8
253.14401	9.2
254.14693	6.4
257.19016	5.8
259.20544	20.0
264.82712	1.7
269.17447	11.1
273.18430	2.8
275.20090	12.1
279.15863	6.1
281.17465	55.9
282.17801	4.9
283.18146	2.1
291.19534	4.8
293.21002	12.2
315.22980	2.7
333.24283	13.3
349.23666	5.3
365.23285	2.8
366.23706	3.0
367.24771	3.0
447.32449	2.0
475.30658	35.6
476.31104	2.2
539.37372	20.5
555.36761	5.6
557.38458	5.4
572.36395	4.5
573.37506	17.8
579.40302	2.1
771.41406	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	771.501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.8
57.03437	4.0
57.07072	1.8
58.06602	2.1
60.08158	1.1
61.02930	7.1
62.83606	1.0
65.03957	0.9
67.05509	10.4
69.03431	4.2
69.07073	3.5
69.71708	1.0
71.08638	1.0
73.02914	5.1
79.05479	4.7
81.03406	2.6
81.07052	11.1
83.08627	1.8
85.02895	8.5
86.09710	4.0
87.04423	1.1
91.03960	6.5
91.05486	3.9
92.43679	0.9
93.07070	6.3
95.08598	6.3
97.02885	5.4
99.04473	1.2
101.02408	2.8
105.07042	3.2
107.08621	2.6
109.10162	2.8
119.08588	1.5
121.10152	2.2
125.00049	2.9
127.03918	1.8
131.08565	1.2
132.52184	1.1
135.11722	1.2
161.13098	1.1
184.07338	10.5
236.15086	2.7
243.08466	2.5
317.20859	1.3
493.27689	9.0
502.46274	0.9
519.29425	8.2
585.66260	1.2
685.49762	4.1
753.59314	1.1
771.50049	100.0
772.50336	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.1
55.05516	16.2
57.03439	7.7
57.07070	1.9
59.80514	0.6
61.02930	18.8
64.19479	0.6
65.03947	1.6
67.05506	30.5
68.05846	1.1
68.09309	0.6
69.03429	8.7
69.07072	12.3
71.01357	2.0
71.04997	3.0
71.83684	0.6
73.02916	11.9
79.05496	23.7
80.05830	0.7
81.03417	6.5
81.07057	31.2
83.04988	3.7
83.08623	8.2
85.02905	18.4
85.06563	1.5
86.09701	1.1
87.04450	1.1
91.03963	8.3
91.05479	18.4
93.07043	23.9
94.08849	0.6
95.04980	3.7
95.08609	25.1
97.02895	16.7
97.06545	2.8
97.10191	4.3
98.78436	0.6
99.04455	2.2
99.08125	1.2
101.02393	2.5
101.56322	0.8
103.05502	1.2
105.04482	1.0
105.07032	16.1
106.07376	0.6
107.04949	2.1
107.08598	15.6
109.02891	1.2
109.06504	1.8
109.10160	9.3
111.04470	2.5
111.08083	2.6
115.03934	0.9
115.05473	1.8
117.07027	11.6
119.08589	15.8
119.09444	0.8
121.06523	1.3
121.10150	9.6
123.08040	1.5
123.11702	3.4
125.09669	1.7
127.03908	3.2
128.06236	3.8
129.05533	0.9
129.07002	12.6
131.08560	14.8
131.09486	0.9
133.10127	11.0
135.08061	1.6
135.11684	6.3
141.07005	5.6
142.07794	2.9
143.08562	13.3
144.09366	0.9
145.04993	1.3
145.06488	0.7
145.10133	15.8
147.11685	6.2
149.13292	2.5
153.07039	1.4
153.12811	0.8
154.07860	1.1
155.08542	12.0
156.09299	1.6
157.10129	14.3
159.11694	9.0
161.13301	3.8
163.11243	2.9
163.14825	1.2
165.07042	1.6
166.07759	1.4
167.08571	6.3
168.09351	1.7
169.10126	14.7
171.11685	11.5
172.12018	0.8
173.09724	0.7
173.13272	5.8
175.14928	1.7
179.08571	2.4
181.10124	9.7
182.10812	0.9
183.11685	14.8
183.13141	1.0
184.07394	2.3
184.12122	1.0
185.13231	8.2
186.13721	0.8
187.14806	3.6
189.16325	1.0
191.10594	0.9
192.09404	0.9
193.10155	3.3
194.10814	1.0
195.11699	9.3
196.12383	1.3
197.13234	11.1
198.13971	0.8
199.14825	6.4
201.16415	1.6
203.17908	1.1
205.10149	0.8
206.10652	0.8
207.11734	4.2
207.46001	0.7
208.12506	0.8
209.13252	8.7
211.14845	7.0
213.16418	3.1
219.11789	1.5
221.13313	3.9
223.14978	5.2
225.16481	4.4
227.12825	1.1
227.18042	2.4
229.19608	1.0
233.13422	1.5
235.14861	2.5
236.14951	1.2
237.16318	3.6
239.17999	2.9
241.14449	1.4
241.19745	0.9
247.14871	1.3
249.16423	1.9
251.18018	2.7
253.19598	2.0
261.16302	0.9
261.22314	1.3
263.18054	0.8
265.19565	1.3
295.20294	0.9
309.22131	1.4
311.23776	0.9
315.17929	3.1
321.22409	1.0
323.23532	1.0
325.21890	0.7
335.26065	5.2
337.25525	1.1
339.23148	1.0
349.25415	1.9
351.26892	1.9
353.28653	0.9
358.53909	0.7
363.26877	1.3
367.25977	0.9
381.27750	0.8
391.29974	1.1
407.29465	1.2
433.30957	0.8
447.32657	1.4
461.33905	0.7
487.34393	1.2
499.39801	1.0
501.35916	1.6
503.35928	0.8
513.36011	1.0
515.37952	1.0
517.40643	4.7
518.40686	0.9
535.42084	3.2
539.37384	1.9
540.37701	0.9
541.38995	1.0
543.36877	4.1
553.38916	0.8
573.43146	0.8
575.39630	3.9
591.43945	5.7
592.44696	0.9
607.43616	2.2
609.45111	100.0
610.45453	14.9
611.46631	0.8
621.45056	1.1
717.46924	1.2
735.48041	1.3
753.48834	1.2
771.51044	18.2
772.51300	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	772.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	17.9
55.05514	52.4
57.03438	28.5
57.07081	6.3
59.05004	4.7
61.02926	8.3
65.03941	7.5
67.05505	83.2
68.05847	2.4
69.03436	10.7
69.07071	29.5
69.66546	8.8
71.01357	2.9
71.05000	11.1
73.02909	4.8
77.03924	2.2
79.05494	99.0
80.05814	5.0
81.03419	28.1
81.07059	94.7
82.07405	4.9
83.01346	12.2
83.04982	30.0
83.08627	23.5
85.02897	18.9
85.06548	6.3
91.03959	3.2
91.05482	99.5
92.05827	4.2
93.07047	100.0
94.07386	6.1
95.04977	24.4
95.08604	45.8
97.02887	14.8
97.06528	15.6
97.10177	6.8
98.09692	2.8
99.04472	5.8
99.08096	7.3
103.05470	4.3
105.04529	4.0
105.07034	92.7
106.07361	6.5
107.04947	18.8
107.08591	57.8
107.09295	3.7
108.08896	4.3
109.02914	4.6
109.06513	16.7
109.10162	28.7
110.10515	2.7
111.04408	2.8
111.08078	4.8
113.06005	2.1
115.05487	4.1
117.07029	32.4
119.08583	63.4
120.08945	2.0
121.06522	9.9
121.10138	31.7
123.04444	2.5
123.08067	16.9
123.11713	3.6
125.05962	2.3
125.09632	10.2
127.03953	4.0
128.06238	4.7
129.05499	4.8
129.06985	16.5
130.07784	5.9
131.08565	34.8
133.10132	53.2
134.10397	4.3
135.08067	8.3
135.11690	28.6
137.09644	5.6
141.07021	2.3
143.08582	12.5
145.04984	2.9
145.06528	3.3
145.10117	43.5
146.10468	2.3
147.08058	6.3
147.11682	27.9
147.34151	1.9
149.09625	9.6
149.13280	11.1
151.11192	6.9
153.12764	4.1
155.08557	5.2
157.10132	9.1
157.81183	1.9
159.11688	22.2
161.09592	3.6
161.13272	16.7
163.11185	36.1
169.10088	4.4
171.11685	14.0
173.09659	6.9
173.13283	7.6
175.11122	2.0
175.14815	4.8
177.12767	3.4
179.10619	1.8
181.12257	5.9
183.11670	3.3
184.07225	3.1
185.13281	7.7
189.11220	5.4
189.12755	2.9
191.10643	5.3
195.13832	7.4
197.13281	4.3
199.14890	3.5
209.11687	15.9
217.16010	2.2
219.17685	1.8
227.12730	15.0
229.19855	2.2
231.13829	1.8
231.21039	4.5
239.17979	2.7
241.19441	12.7
253.14316	18.8
254.14635	14.3
255.15065	5.9
257.19122	8.5
259.20557	44.0
260.20966	3.3
267.15753	2.6
269.17538	8.2
273.18390	2.6
274.18896	2.1
275.20050	24.6
277.21848	2.2
281.17435	2.8
283.15399	90.3
284.15765	5.5
291.19562	4.3
292.19980	3.4
293.21024	5.0
297.22116	5.5
306.89163	1.9
315.23193	5.6
333.24246	29.3
334.24753	2.3
349.23602	9.6
366.23505	3.0
373.18842	2.1
431.29825	2.7
437.25238	5.2
449.30344	5.2
467.31430	2.7
477.28326	38.0
478.28940	4.0
480.26758	3.5
489.28256	4.1
517.31580	2.8
523.33997	5.0
531.86462	2.2
541.35156	34.9
542.35229	3.0
557.34607	6.3
559.36615	9.1
574.35022	3.2
575.35077	12.7
772.39447	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	772.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	14.7
55.05513	36.2
57.03443	16.2
57.07073	1.7
59.05000	3.1
61.02925	6.4
64.46104	1.6
65.03954	2.9
67.05509	55.5
68.05824	2.1
69.03431	6.0
69.07068	25.9
69.28945	5.3
69.29341	4.4
71.05002	7.6
73.02892	1.7
79.05155	1.0
79.05495	53.2
81.03429	21.5
81.07062	65.6
83.01328	8.0
83.04985	20.4
83.08620	19.2
85.02918	10.9
85.06561	3.7
91.03983	2.1
91.05489	39.8
91.06016	3.0
93.07046	56.4
95.04968	15.0
95.08616	21.5
97.02890	7.9
97.06535	14.8
97.10172	10.8
98.23411	3.3
99.04454	2.0
105.07042	36.0
107.04965	14.1
107.08599	35.9
109.02881	3.1
109.06516	11.0
109.10168	10.1
111.04452	4.1
111.08092	5.9
115.05456	1.7
117.07034	21.5
119.08585	27.2
121.06523	6.8
121.10163	19.0
123.08066	11.1
125.05994	3.5
125.09657	9.2
127.03941	5.4
129.07013	4.8
130.07802	3.1
131.08575	18.0
133.10143	20.2
135.08063	4.5
135.11703	23.1
137.09615	2.9
143.08601	4.2
145.10127	27.2
147.08034	4.0
147.11703	10.1
149.09639	12.0
149.10648	2.5
149.13289	7.4
151.11212	2.5
151.47104	1.8
153.12733	3.8
155.08536	2.8
157.10194	4.0
159.11667	12.0
161.09528	1.7
161.13321	4.0
162.07861	2.0
163.11200	30.3
169.10175	2.1
169.97224	1.8
171.11595	3.2
173.09642	4.8
173.13260	3.9
175.11176	2.4
177.12778	4.2
179.14345	2.7
181.12292	6.5
183.11732	2.7
189.11253	6.2
191.10689	4.7
193.12285	2.5
195.13873	5.2
197.13292	2.6
209.11742	8.3
211.13303	2.3
213.05096	1.7
213.14841	1.7
227.12805	25.2
239.17924	2.2
247.20639	3.0
255.15892	7.2
257.18927	9.9
267.15933	3.4
269.17459	14.6
273.18622	2.0
275.20056	33.5
283.15417	100.0
284.15738	6.5
291.19553	4.3
293.21201	2.9
309.20691	1.9
331.22729	3.2
339.18353	2.0
349.23792	25.9
350.24002	2.7
367.25070	2.8
379.20880	1.8
437.25537	3.4
453.25021	4.9
454.26126	1.9
461.28467	2.1
463.26926	20.3
477.28479	67.9
478.28983	6.6
539.33514	2.0
557.26422	2.8
557.34711	40.1
558.34833	4.0
575.35602	6.0
706.69952	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73605	1.2
55.01876	12.0
55.05512	22.8
55.20537	1.3
57.03440	14.2
59.05011	2.7
61.02924	3.2
61.29958	1.3
64.09185	1.6
65.03936	2.3
67.05508	50.7
69.03442	8.1
69.07072	17.9
69.59916	6.1
69.60322	2.8
71.01360	2.1
71.04996	5.2
77.03901	1.8
79.05493	41.5
81.03417	17.9
81.07058	54.2
83.01339	8.5
83.04993	18.3
83.08624	16.0
85.02895	7.3
85.06552	2.9
91.05484	35.3
93.07047	52.8
95.04969	10.5
95.08609	21.0
97.02888	4.6
97.06537	13.9
97.10183	3.8
99.04469	4.3
99.08118	2.3
103.05474	1.6
105.04543	1.5
105.07027	26.6
107.04961	13.3
107.08585	27.9
109.02892	1.9
109.06529	9.8
109.10179	4.4
111.04456	3.2
111.08116	4.4
115.05450	1.5
117.07009	13.4
119.08579	19.6
121.06514	5.5
121.10139	15.2
123.08044	9.0
123.11725	2.1
125.06010	2.5
125.09620	2.4
127.03926	1.8
129.07037	4.5
130.07816	1.8
131.08574	11.8
133.06541	1.6
133.10130	12.5
135.08101	4.7
135.11688	17.4
137.09641	3.5
143.08524	2.7
145.06468	2.8
145.10149	20.9
147.08078	2.0
147.11716	6.4
149.09605	7.5
149.13264	10.0
153.12744	3.9
155.08615	1.6
157.10147	3.3
159.11687	9.5
161.13304	2.2
163.11182	23.9
173.04535	1.8
173.09608	3.7
173.13330	2.5
177.12737	3.1
179.14252	1.5
181.12259	3.9
183.11713	1.9
191.10611	1.6
195.13850	5.3
209.11736	8.1
227.12750	8.3
255.15833	10.7
257.19064	5.9
267.15833	1.9
269.17459	28.8
269.20303	1.4
275.20096	12.1
283.15399	75.8
284.15802	6.1
349.23816	14.8
367.24881	3.3
437.25302	2.5
459.27380	1.7
463.26855	21.4
477.28473	100.0
478.28909	8.8
557.34778	13.4
575.35535	5.2
621.32819	2.1
642.62579	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	10.0
55.05514	24.6
57.03439	18.1
57.07080	5.8
58.06598	1.4
59.04996	3.3
60.08163	2.9
61.02926	3.4
65.03942	3.6
65.36330	1.2
67.05507	80.4
68.05834	1.3
69.03420	4.6
69.07066	23.5
69.60408	6.8
70.06591	1.7
71.01356	5.7
71.04990	9.3
73.02917	1.3
79.05495	71.7
81.03421	31.1
81.07058	74.6
81.42815	1.2
82.07391	2.5
83.01368	3.2
83.04985	17.0
83.08623	15.7
85.02914	11.2
85.06552	4.3
86.09706	9.9
91.05479	39.9
92.05840	1.7
92.52142	1.3
93.07047	72.4
94.07372	1.3
95.04971	13.1
95.08608	51.4
96.08937	1.9
97.02888	13.3
97.06532	13.2
97.10175	6.3
98.62903	1.2
98.98470	1.6
99.04452	4.8
99.22530	1.3
104.10725	1.2
105.04501	1.4
105.07034	25.2
106.07395	1.8
107.04952	22.1
107.08591	38.7
108.05297	1.5
109.02896	1.6
109.06539	10.2
109.10150	20.9
110.38786	1.8
111.04440	30.3
111.08072	4.3
113.05971	2.1
117.07018	18.1
119.08588	23.0
121.06523	9.2
121.10147	30.7
123.08060	9.8
123.11724	5.1
124.99970	6.1
125.05977	6.6
125.09671	5.5
129.07037	5.6
130.07806	2.2
131.08565	18.0
133.10129	10.6
135.08061	6.1
135.11688	26.5
136.12018	1.4
137.09639	4.0
137.13263	2.2
139.07579	2.5
143.08588	3.3
145.06508	2.7
145.10127	31.2
147.08096	4.2
147.11681	6.5
149.09660	4.5
149.13292	5.3
151.07654	1.8
151.11235	1.6
153.12773	10.8
155.08594	5.9
159.11719	6.8
161.09677	2.0
161.13277	5.4
163.11180	34.8
163.12492	2.2
163.14853	1.8
173.09637	8.0
173.13300	4.1
175.14877	1.5
177.12746	2.7
177.16624	1.5
181.12248	5.8
183.11584	1.5
184.07349	33.6
184.08926	2.1
187.14853	2.3
191.10661	10.5
195.13802	2.1
209.11754	13.5
223.13313	21.1
227.12794	11.0
236.14963	1.6
241.14343	37.0
241.16603	2.7
243.21117	3.3
259.20520	2.7
261.22104	11.9
265.14297	8.4
283.15384	20.8
284.15671	1.8
297.17026	2.7
299.23822	1.7
313.27322	3.5
315.18027	48.8
316.18475	3.0
317.24753	2.6
335.25815	100.0
336.26215	9.1
433.30914	2.0
451.32367	2.5
496.91382	1.5
502.12167	1.3
520.06439	1.4
525.35822	10.3
526.36011	1.6
543.36786	69.5
544.37280	7.2
552.01019	1.3
566.34058	1.7
575.39417	95.6
576.39801	13.3
610.45245	3.6
731.57532	1.7
752.27295	1.7
772.50916	2.3
773.44409	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	772.4845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.8
56.05028	0.7
57.03438	1.1
57.07069	1.2
57.54297	0.5
58.06605	0.6
60.08160	2.0
61.02910	1.0
67.05505	3.4
69.03429	0.9
69.07066	7.9
69.98099	1.5
71.07361	1.1
71.08625	2.2
72.08133	0.5
79.05504	2.6
79.05905	0.7
81.03423	1.6
81.07047	3.4
83.04982	0.6
83.08623	1.2
85.02942	0.5
86.09702	100.0
87.10040	1.8
91.05480	2.6
93.07063	2.9
93.69626	0.5
95.04981	1.0
95.08604	2.2
97.06531	4.6
98.09696	3.9
98.98483	0.8
103.05486	0.7
104.10737	1.6
105.07020	5.6
107.08590	1.3
109.06527	0.5
109.10191	1.1
111.04432	0.5
114.09151	1.3
117.05733	0.5
117.07004	0.9
119.08596	0.7
120.08105	13.4
121.08433	0.8
121.10143	1.2
124.99997	6.4
129.07024	0.9
130.06563	1.1
131.08549	0.6
132.08089	12.2
133.10117	1.0
133.50632	0.5
140.10750	0.7
143.11823	7.7
145.10083	1.1
154.15886	7.5
171.11349	1.6
182.15419	7.0
184.07336	29.4
188.14323	9.5
200.14590	1.2
200.16447	30.7
200.48854	0.5
210.14906	1.7
211.18048	1.3
216.13812	1.2
228.15945	9.4
234.14888	4.9
236.15018	1.9
245.16483	11.2
246.17006	1.3
255.14964	0.6
257.18460	0.6
262.14392	1.9
273.15918	2.8
291.17111	0.7
293.15616	0.5
301.15408	2.8
313.24814	6.0
315.17801	0.8
319.16489	4.9
335.25775	2.0
341.24341	0.8
342.22836	3.3
359.25412	2.1
370.26993	2.5
386.24261	1.4
404.25330	1.2
409.30359	0.6
426.33328	0.8
427.31485	2.6
432.24899	2.9
443.29105	1.2
455.31903	0.6
461.30096	3.8
472.33682	4.6
483.35263	1.2
489.29645	6.3
518.32465	2.3
528.30823	0.8
543.36285	1.0
545.33026	0.5
546.31720	22.6
547.31940	2.8
574.38538	4.1
575.39154	1.2
585.40704	0.9
610.44672	0.8
613.39996	0.7
631.40607	6.5
632.40558	0.6
642.44818	2.6
659.39996	2.9
670.44043	1.5
726.47650	0.6
727.46515	1.5
744.48914	6.8
745.49323	1.5
754.54242	1.2
755.46503	0.9
772.41669	4.5
773.45490	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	772.5482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.6
56.05030	0.7
56.05822	0.6
56.09418	0.5
57.07068	0.9
58.06601	1.8
58.63359	0.5
59.07373	0.8
60.08162	7.2
66.20029	0.5
67.05501	1.6
69.07063	1.1
71.07377	3.9
79.05512	1.2
81.07032	1.4
83.08611	1.2
86.09709	29.8
87.10056	0.9
93.07079	1.2
95.08631	1.1
98.98477	3.2
104.10729	1.4
107.08578	0.5
109.10148	0.6
117.06996	0.6
125.00004	20.7
129.06992	0.7
184.07350	100.0
185.07736	1.2
189.58383	0.6
191.46001	0.6
236.14955	3.4
291.19653	1.3
311.25803	0.6
600.43427	0.9
601.44434	2.5
709.02271	0.5
754.53162	2.6
772.57025	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	773.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.3
55.05517	7.8
57.03444	4.2
58.06583	0.5
58.45007	0.4
61.02930	5.7
65.03941	0.7
67.05508	8.6
68.05833	0.7
69.03436	4.5
69.07063	4.8
70.07391	0.5
71.01360	0.8
71.04996	1.7
71.08630	0.6
73.02920	3.4
74.71093	0.4
79.05495	11.0
80.05846	0.7
81.03430	4.9
81.07059	10.1
82.07394	0.8
83.01353	1.9
83.04980	3.8
83.08616	3.7
85.02898	5.0
86.09717	1.3
91.03977	2.2
91.05486	10.4
92.05820	1.1
93.07047	9.5
94.07384	1.5
95.04970	3.5
95.08618	4.1
96.08945	0.8
97.02894	3.9
97.06531	2.5
97.10168	5.4
98.10498	0.7
98.23357	1.2
99.04476	1.2
99.08102	0.6
101.02392	1.9
105.04591	0.6
105.07046	6.8
106.07397	0.5
107.04957	2.5
107.08583	7.1
107.09171	0.5
108.08947	1.4
109.02881	1.4
109.06517	2.1
109.10157	2.3
111.04460	0.8
111.08083	1.3
112.07668	0.8
115.05501	0.8
115.55588	0.4
117.07022	4.5
118.07436	0.5
119.08582	6.9
120.08923	0.8
121.06512	1.7
121.10136	3.0
122.10511	0.6
123.08097	1.9
125.00034	0.7
125.06007	0.4
125.09615	4.6
126.09939	0.5
127.03944	1.9
128.06213	1.0
129.07025	1.3
131.08572	3.2
132.08940	0.6
133.10123	2.8
135.08096	2.0
135.11684	3.8
137.09665	0.7
143.08618	1.4
145.06494	0.7
145.10138	5.5
146.10471	0.6
147.08125	1.1
147.11740	1.7
149.09650	1.6
151.11285	0.5
153.12784	0.6
155.08606	0.5
157.10091	0.9
159.08086	1.1
159.11726	1.8
161.09602	0.7
163.07536	0.6
163.11177	5.7
164.11609	1.0
169.10126	0.6
171.11804	0.6
173.09679	1.0
173.13327	0.5
181.12221	0.8
183.11835	0.6
184.07358	4.2
185.04321	0.5
185.13370	0.6
187.11174	0.5
189.11256	1.6
189.97429	0.5
191.10640	0.7
193.12297	1.0
196.10936	0.5
203.05342	0.4
209.11809	1.1
211.13327	0.7
227.12798	5.8
228.13196	1.9
243.08449	3.0
250.38640	0.5
257.19168	1.6
267.15912	0.7
269.17572	0.4
271.17133	0.6
275.20068	3.8
276.20419	2.3
283.15414	8.1
284.15701	3.9
285.17072	0.8
289.18008	0.5
299.16144	0.6
329.17227	8.3
349.23816	3.5
350.24176	2.5
362.33896	0.5
385.19849	1.0
454.25043	0.9
464.27542	0.5
467.18848	7.0
477.28693	1.2
478.29202	1.3
506.27731	0.5
540.34235	0.6
547.25305	5.5
557.34882	2.2
558.35010	6.8
559.35754	1.2
575.34332	0.5
576.36725	0.9
611.32080	0.6
773.37115	100.0
774.37555	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	773.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.5
55.05511	5.4
56.88331	0.4
57.03444	2.7
57.07078	0.8
57.59977	0.4
59.05005	0.5
61.02920	4.1
65.03936	0.9
65.70490	0.4
67.05505	11.8
68.05843	0.7
69.03423	3.8
69.07073	4.7
69.83735	0.3
70.07402	0.5
71.01372	0.6
71.04996	1.0
71.08617	0.5
73.02912	3.1
73.90533	0.4
79.05495	10.0
80.05833	1.1
81.03416	3.7
81.07054	8.9
82.07422	0.7
82.30333	0.3
83.04975	3.1
83.08628	2.9
85.02901	4.7
85.06552	1.0
86.09699	0.5
87.04468	0.4
90.20435	0.4
91.03965	1.9
91.04533	0.4
91.05480	8.8
92.05813	1.0
93.07039	7.7
94.07375	0.6
95.04965	3.5
95.08602	4.7
95.09167	0.5
96.08910	0.6
97.02889	4.0
97.06499	1.7
97.10153	2.7
99.04461	0.6
99.08075	0.6
101.02396	1.7
103.05499	0.5
105.04542	0.4
105.07029	5.1
107.04981	1.2
107.08592	4.9
109.02895	0.8
109.06525	1.1
109.10140	2.8
110.10494	0.6
111.08081	0.5
111.87804	0.4
117.07017	2.3
119.08589	3.5
121.06499	0.8
121.10123	1.8
123.08090	1.2
125.09657	1.5
127.03933	1.0
129.05528	0.7
129.07013	1.5
131.08595	1.8
133.06485	0.4
133.10138	3.2
134.10522	0.8
135.08075	1.0
135.11690	1.9
137.09613	0.8
142.07901	0.4
143.08549	1.1
145.10106	2.1
147.08029	0.7
147.11678	2.9
148.11948	0.4
149.09656	1.1
149.13373	0.5
151.11186	0.6
157.10201	0.5
159.11690	0.7
161.09695	0.7
161.13336	0.6
163.11215	1.6
165.09163	0.6
171.10345	0.4
171.11740	1.2
184.07410	1.5
185.04211	0.6
185.13229	0.5
189.11189	0.5
189.12799	0.5
193.12260	0.9
211.13326	0.4
223.13347	1.5
227.12839	0.7
243.08408	2.9
247.13194	0.8
253.14359	0.8
254.14883	0.5
267.15979	0.9
268.16119	0.4
273.18533	0.5
275.20132	1.4
276.20459	0.7
281.17709	0.4
283.15439	1.8
284.15836	0.4
291.19650	1.6
293.21259	0.4
299.14957	0.7
301.16660	0.5
302.17050	0.4
303.15710	0.9
326.47040	0.4
331.18918	1.0
335.25830	0.5
349.23703	0.6
350.24063	0.5
368.25134	0.6
465.20978	8.1
465.27264	0.6
466.21536	0.7
549.26703	4.8
550.26898	0.5
576.36377	1.1
707.75537	0.4
773.40741	100.0
774.41071	17.1
774.53925	0.5
789.09528	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.8
55.05514	17.1
55.35594	0.7
57.03440	5.9
57.07083	1.5
58.06579	0.8
59.04998	0.8
61.02932	1.6
61.56309	0.7
63.86591	0.6
67.05511	8.8
69.03433	7.7
69.07066	9.0
71.04983	1.4
71.08634	1.0
73.02914	0.7
73.78382	0.7
79.05499	7.4
79.05930	1.0
80.23051	0.9
81.03423	5.2
81.07056	8.2
83.04980	8.0
83.08631	3.7
85.02921	4.0
85.06551	1.0
86.09703	3.6
87.08117	1.7
91.05479	3.8
93.07037	5.9
95.04976	1.9
95.08609	6.5
97.02902	1.9
97.06561	1.9
97.10174	20.1
98.10519	1.3
99.04504	0.9
105.07050	1.9
107.04966	1.8
107.08624	2.9
108.39154	0.8
109.10184	2.8
111.04449	10.1
111.08124	1.1
113.06056	0.9
117.07056	2.2
119.08624	3.0
119.74888	0.7
121.06544	1.5
121.10166	3.0
123.08062	0.7
124.99950	1.6
125.06027	1.1
125.09636	4.5
129.05504	5.3
129.07002	0.8
131.08588	1.3
133.10153	1.0
135.11743	1.5
143.10696	1.8
145.10181	2.3
147.06578	2.1
147.08040	1.4
151.03670	0.9
153.12863	0.8
161.70053	0.6
163.11198	3.5
173.09581	1.0
174.66751	0.8
183.09933	3.9
184.07343	8.0
185.08092	1.3
191.10725	1.2
195.13794	0.7
203.09238	1.5
207.06314	2.0
209.07950	1.7
209.11751	1.8
223.13361	2.1
227.12807	1.6
228.97200	0.8
236.14993	1.9
237.11020	0.9
241.14287	5.5
281.09967	6.9
283.15402	3.4
293.13611	1.1
295.15405	0.9
315.18039	7.4
328.57178	0.7
337.27332	8.2
346.45352	0.8
367.17279	4.6
441.21149	2.1
453.24857	1.3
455.26279	3.1
458.16553	0.9
471.34341	0.8
527.28296	25.2
528.28595	2.7
545.38293	8.0
577.40906	7.6
595.35010	0.8
611.46637	1.4
613.35779	4.6
638.03308	0.8
687.38702	0.8
773.46423	100.0
774.46759	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	773.5187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.2
55.05509	35.3
56.19124	4.9
57.03441	16.1
57.07080	9.3
60.28069	3.9
61.02928	16.8
65.03937	5.2
67.05505	93.8
69.03429	6.8
69.07075	28.2
71.04979	4.9
71.08607	6.0
73.02944	8.6
79.05493	90.0
81.03416	8.1
81.07059	90.6
83.04967	4.8
83.08627	14.5
85.02910	12.7
88.52717	4.2
91.03966	6.4
91.05476	79.4
93.07049	89.4
95.04982	14.5
95.08607	79.5
97.02910	13.0
97.06541	6.7
97.10192	8.6
98.80938	5.6
99.08126	4.7
101.62439	4.2
103.05525	5.0
105.07016	59.6
107.05016	4.5
107.08586	37.2
109.06540	7.9
109.10147	28.4
115.05391	5.3
117.07006	28.9
119.08593	53.5
121.10139	34.7
123.08109	5.4
123.11716	6.8
128.06245	6.1
129.07037	16.4
131.08542	36.1
133.10129	50.7
135.07997	5.9
135.11700	23.4
141.06996	5.2
142.07835	5.5
143.08592	10.7
145.10127	30.1
147.11691	42.1
149.13258	11.1
154.07822	4.5
155.08595	9.1
157.10141	24.9
159.11696	32.6
160.20972	4.2
161.13252	28.2
169.10182	10.5
171.11674	19.6
173.13252	20.7
175.14865	7.6
183.11685	10.4
184.07283	9.8
185.13306	13.0
195.11734	5.9
199.14833	6.2
201.16515	7.1
209.13263	5.0
211.14830	6.5
215.18018	4.4
236.14851	5.5
241.19531	19.7
254.49307	4.8
257.19046	9.9
259.20511	44.0
261.22162	9.9
271.20621	5.0
299.14966	18.1
325.21872	5.4
333.24298	36.0
335.25751	81.2
336.26193	8.1
337.27158	6.2
367.22467	4.5
416.29736	4.6
435.41614	5.4
474.65393	4.6
583.45032	5.7
593.45447	11.2
609.44690	5.4
611.46576	100.0
612.46619	12.0
701.47107	5.3
755.54187	5.6
773.50995	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	774.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	19.8
55.05512	47.0
57.03433	25.2
61.02922	7.6
65.03917	4.5
67.05505	86.4
69.03429	12.2
69.07069	43.6
71.05007	12.8
71.30741	4.9
73.02917	4.2
76.80953	2.4
77.31027	2.2
78.33944	2.1
79.05495	89.1
79.30820	2.6
80.05825	3.4
81.02924	4.6
81.03416	99.9
81.07059	100.0
83.04987	33.3
83.08620	41.1
85.02902	28.8
85.06538	6.8
86.09704	7.4
91.05479	91.7
92.05821	2.5
93.07042	77.3
93.47778	2.3
94.07399	3.2
95.04972	45.1
95.08614	38.7
96.08942	2.3
97.02886	10.0
97.06536	26.8
97.10178	16.0
99.04482	4.2
99.08099	5.4
105.04521	4.1
105.07030	64.4
107.04951	18.5
107.08597	43.0
109.02863	3.9
109.06520	12.9
109.10163	17.1
110.41266	2.4
111.04399	3.2
111.08096	16.3
113.06023	3.6
115.05458	2.5
115.92602	2.7
117.07008	25.2
119.08573	52.3
121.06500	10.7
121.10126	25.3
123.08055	9.0
123.11693	6.8
125.09624	12.4
127.03915	8.3
128.06274	3.7
129.07010	20.0
130.56313	2.4
131.08575	37.5
133.06441	6.7
133.10138	36.5
135.08041	9.3
135.11697	12.0
137.09613	6.8
142.07802	5.2
143.08542	4.3
145.04903	3.1
145.10126	25.1
147.08026	8.1
147.11690	32.2
149.09625	24.8
149.13237	8.3
151.07585	2.4
151.11180	3.3
155.08536	3.2
157.10103	20.3
159.11652	16.4
161.09633	4.2
161.13348	2.9
163.11186	16.2
165.12752	4.5
169.10173	4.4
171.11719	4.2
173.09583	3.2
173.13208	4.6
175.11188	21.9
177.12666	3.9
179.14310	4.1
183.11679	3.8
184.07303	14.6
185.13342	3.5
189.11205	11.0
193.10541	4.9
193.12236	50.5
194.12642	3.5
195.13824	5.7
197.13200	2.7
211.13290	78.8
223.13245	3.3
224.43375	2.3
227.12738	21.2
229.14253	2.8
239.17995	3.3
255.15869	10.5
257.18997	14.6
267.15851	38.3
269.17508	20.4
275.20056	41.7
283.15479	3.6
285.16946	59.9
286.17145	3.9
293.21158	3.4
309.20642	3.7
331.22537	2.4
349.23743	38.1
350.24112	3.3
437.25653	2.9
439.77188	2.6
447.27274	10.0
461.29129	15.4
463.40311	2.5
465.28311	10.8
479.30103	48.1
480.30627	4.1
501.32379	3.0
519.32928	4.8
541.35260	13.6
559.27911	3.1
559.36267	37.8
560.36450	6.2
577.37262	5.0
612.96124	2.7
623.33362	2.7
752.72131	2.7
774.36768	8.0
775.38483	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	774.463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	11.2
55.05245	1.5
55.05513	29.9
56.96579	1.9
57.03440	15.4
57.07073	4.5
58.03755	1.8
59.05017	3.7
61.02928	5.8
65.03941	4.2
65.98831	1.2
67.05507	62.6
69.03429	12.0
69.07072	18.1
71.01368	1.4
71.04992	7.6
71.08643	10.4
73.02922	6.1
79.05496	59.6
80.05832	3.9
81.03419	33.2
81.03866	2.4
81.07056	72.8
82.07388	3.3
83.01355	6.6
83.04975	22.9
83.08621	25.0
85.02906	16.4
85.06554	5.6
87.04469	1.6
91.03969	3.0
91.05482	48.4
92.05816	1.7
93.07047	58.5
94.07400	2.2
95.04972	19.0
95.08611	30.1
97.02885	9.5
97.06541	12.5
97.10154	7.5
98.97592	5.3
99.04469	5.6
99.08102	11.1
101.02390	2.0
105.04510	3.7
105.07030	33.6
106.07423	2.3
107.04961	12.1
107.08600	33.0
109.02895	3.8
109.06515	10.5
109.10143	14.3
110.97592	1.6
111.04447	4.5
111.08067	6.5
113.05963	2.1
113.09650	1.4
115.05472	2.2
117.07021	16.9
119.08583	20.6
121.06506	4.3
121.10157	19.8
123.04403	2.0
123.08064	10.4
123.11702	2.7
125.09634	4.8
127.03906	6.2
129.05507	2.7
129.07013	7.8
130.07831	1.8
131.00157	1.7
131.04950	1.5
131.08560	16.5
132.08864	1.6
133.06519	1.8
133.10135	19.4
134.10561	1.9
135.08035	9.8
135.11697	15.0
137.09630	5.5
139.11148	1.7
140.71867	1.3
141.07007	2.1
143.08588	4.1
145.04927	2.7
145.06461	2.6
145.10121	20.8
147.08076	3.7
147.11688	10.1
149.09619	3.7
149.13260	10.5
151.11209	13.6
152.40475	1.4
153.09102	2.0
153.12756	4.1
155.08556	2.4
157.10141	4.4
158.99686	1.7
159.11681	7.7
161.09685	2.3
161.13286	4.3
163.07584	2.1
163.11176	27.0
165.12840	1.7
170.99629	2.4
171.11739	4.4
173.04500	1.6
173.09665	3.2
173.13260	2.1
175.11255	2.8
175.14748	1.4
177.00723	2.1
177.12773	3.2
179.14351	3.1
181.12251	4.0
184.07370	5.4
185.13297	2.2
187.14900	1.7
189.00894	1.6
189.11282	3.1
191.10655	3.0
193.12331	4.4
195.13858	5.8
199.14920	1.5
209.11696	6.3
211.13316	5.6
213.14896	2.0
219.01767	2.5
227.12778	10.7
229.14392	3.3
240.58824	1.4
241.19618	2.6
243.08272	1.9
253.14363	5.2
254.14520	1.6
259.20648	7.0
267.15933	2.7
269.17453	26.9
270.17990	2.1
273.18457	1.4
275.20325	2.0
277.21716	10.9
283.15402	68.9
284.15750	3.6
285.17004	4.3
285.43033	1.4
291.19675	1.7
293.05469	2.9
311.06622	1.4
321.04953	5.4
331.18747	1.8
333.24402	4.1
339.18143	2.4
349.23706	1.5
351.25269	17.5
352.25623	1.6
381.22855	2.4
395.20847	1.4
413.21555	3.1
423.99155	1.7
437.09473	2.2
437.25305	7.3
453.24945	2.4
459.27533	2.1
461.28900	2.7
467.18784	5.0
477.28506	100.0
478.28830	9.2
541.35315	3.0
543.36853	1.8
549.26819	3.1
559.36212	22.5
560.36334	2.6
577.36530	3.9
613.40466	1.3
621.32202	2.6
715.31726	2.6
774.39069	13.1
775.38702	80.3
793.62311	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	4.9
55.05517	26.0
57.03437	18.4
57.07079	3.3
59.70995	1.6
61.02917	1.4
65.03945	1.6
65.64359	1.6
67.05507	67.2
69.03423	2.4
69.07067	16.7
71.04989	4.4
72.74016	1.6
74.52662	1.6
79.05493	52.3
80.05878	1.8
81.03419	91.4
81.07056	56.7
83.04996	6.5
83.08618	24.7
85.06557	4.9
91.05014	1.1
91.05488	37.0
93.07050	46.4
95.04971	30.4
95.08612	47.9
97.02905	3.2
97.06538	6.1
97.10193	7.6
98.23389	5.6
99.44341	1.7
105.07044	26.5
107.04980	5.7
107.08600	28.8
109.06535	6.2
109.10155	22.4
111.04445	2.1
111.08102	7.6
117.07038	8.2
119.08585	27.7
121.06521	4.8
121.10146	25.5
123.04479	3.0
123.08067	3.7
123.11714	7.6
125.09640	5.3
129.07011	14.1
131.08565	22.0
133.06491	2.6
133.10133	15.1
135.08046	2.4
135.11702	14.3
137.09608	2.7
137.13263	4.5
142.07802	2.2
143.08614	2.4
145.10094	8.9
147.08102	2.5
147.11676	13.7
149.09651	5.7
149.13263	5.7
157.10129	9.8
159.11684	7.9
161.13289	5.5
163.11252	4.6
163.14844	3.0
165.12830	2.8
171.11742	2.1
173.13338	5.6
175.11180	9.2
175.14781	3.1
184.07376	5.2
187.14862	2.9
189.11243	4.0
193.12239	22.8
201.16396	2.0
211.13353	3.2
227.12849	7.6
243.21127	7.0
249.14804	2.0
261.22134	18.0
267.15930	100.0
268.16382	6.6
301.25336	6.9
317.24634	2.9
335.25809	83.5
336.26178	5.8
337.27460	2.3
435.32526	6.4
453.33615	9.0
454.33420	1.8
471.34695	4.2
527.37329	56.4
528.37469	6.7
545.38361	38.3
546.38507	4.2
569.38483	3.2
577.40552	2.3
774.45459	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	10.7
55.05511	32.7
57.03431	16.5
57.07090	4.1
59.04974	3.4
61.02941	5.4
65.03930	4.2
67.05508	72.7
69.03416	4.1
69.07066	29.5
69.84064	2.4
71.01346	5.0
71.05000	8.2
71.08659	3.1
72.29555	2.4
79.05492	45.1
81.03420	28.8
81.07057	68.0
82.64291	2.4
83.04980	14.6
83.08630	19.2
85.02918	10.0
86.09716	15.9
91.05486	30.7
93.07037	40.1
95.04985	12.4
95.08607	53.1
97.02885	14.0
97.06522	12.8
97.10172	8.3
98.22639	7.1
99.04449	3.2
105.07023	21.4
107.04978	14.3
107.08607	26.2
109.06544	9.8
109.10152	20.6
111.04445	24.7
111.08086	4.4
117.07009	14.5
119.08588	17.4
121.06497	7.7
121.10143	23.7
123.08073	8.7
123.11716	8.4
125.00011	3.1
125.06001	6.6
125.09601	2.7
131.08568	10.0
133.10153	13.0
135.11681	15.8
137.09627	6.4
145.10094	22.3
147.08057	2.9
147.11694	7.4
149.13326	3.3
153.12743	10.9
155.08699	3.1
161.13303	4.3
163.11212	30.7
173.09660	8.1
175.14807	3.7
181.12198	5.8
184.07378	11.6
191.10689	9.4
199.50729	2.5
209.11713	8.8
212.37607	2.6
223.13278	16.8
227.12750	8.3
228.00946	3.0
236.14911	3.3
241.14369	28.5
263.23651	5.3
265.14413	5.6
283.15430	31.6
297.16983	3.6
315.17999	51.2
335.25729	3.5
337.27353	96.6
338.27658	8.5
453.33554	3.3
527.37250	10.7
545.38348	71.3
546.38275	3.9
577.40955	100.0
578.41022	12.5
740.46985	2.9
774.45984	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	774.5934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	5.0
57.03449	1.3
57.07079	32.3
58.06603	1.3
59.05025	1.4
60.50805	1.0
65.36853	0.9
67.05506	5.1
69.03452	1.2
69.07057	8.5
71.08245	1.9
71.08633	30.5
71.09013	2.2
73.06552	9.3
79.05508	3.7
81.07072	7.6
83.08627	6.9
85.10186	17.4
85.95287	1.0
86.09716	5.0
87.04469	10.3
89.06033	100.0
90.06393	1.5
91.05490	4.2
93.07054	4.1
95.08608	4.3
97.02882	1.2
97.10185	6.4
99.11737	1.5
105.07045	3.1
106.54956	1.0
107.07095	2.4
107.08606	2.1
109.10140	1.9
109.12990	1.0
111.11747	2.6
113.13287	2.0
117.07058	1.7
117.09115	7.7
119.08581	3.0
121.10154	2.2
123.11704	1.1
125.00015	1.5
125.13290	1.9
127.14827	2.2
129.07054	1.7
130.08603	1.9
131.07085	3.6
131.08533	1.8
133.08607	47.8
133.10211	3.1
135.11739	1.3
141.16422	1.2
145.10201	1.9
155.17879	1.3
161.11720	1.7
171.86597	1.0
174.06885	1.2
175.09682	1.6
177.11229	19.5
184.07364	14.1
185.13281	1.2
211.24329	1.7
221.13887	3.3
236.14909	2.8
255.26881	1.9
265.16376	1.5
283.17517	1.3
299.29489	3.6
310.19504	1.1
343.32162	2.3
577.41077	1.5
602.44482	1.4
655.07709	1.1
757.57196	2.5
758.92468	1.3
774.58765	2.0
775.46161	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
55.05509	3.9
57.03436	3.0
61.02929	5.5
67.05503	8.4
69.03422	4.4
69.07085	3.0
70.32494	1.3
70.32837	0.7
71.05016	1.0
73.02917	3.5
79.05493	9.1
80.71312	0.6
81.03437	3.1
81.07055	8.5
82.07381	0.8
83.04996	1.8
83.08614	1.5
85.02903	5.3
85.75234	0.8
86.09727	1.1
87.04459	0.9
91.03975	2.9
91.05480	8.8
92.05789	0.8
92.94499	0.8
93.07042	7.8
95.04987	3.4
95.08595	3.8
97.02889	6.1
97.10133	0.8
99.04506	1.1
101.02396	2.0
105.07024	5.7
107.05001	1.4
107.08610	4.7
109.02890	1.2
109.06557	1.5
109.10179	2.8
111.08134	0.9
117.07030	2.3
119.08581	4.2
121.10184	1.8
127.03943	1.8
129.05569	0.8
129.07091	0.7
131.08589	2.3
133.10092	3.6
135.08055	0.9
135.11746	2.2
143.08582	1.1
145.10184	2.2
147.11713	1.5
149.09714	0.9
149.13245	1.4
151.11191	1.3
156.41649	0.8
157.10158	0.8
159.11729	1.5
161.13251	0.9
163.11314	1.2
172.12071	1.0
173.13364	0.8
185.04254	0.9
223.13464	1.0
243.08521	2.8
259.20587	1.2
260.10339	0.9
301.08972	1.2
356.58240	0.9
465.21323	1.3
467.18887	2.1
481.20346	6.8
483.16312	1.4
535.28619	6.6
553.22699	0.9
648.69769	0.8
707.39734	0.8
757.37518	1.1
775.39471	100.0
776.39044	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	775.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.2
55.05509	1.5
57.03433	2.7
57.58416	0.5
61.02930	6.0
67.05507	4.7
69.03434	3.9
69.07057	2.4
69.35029	2.2
69.35433	1.3
69.41303	0.5
71.01360	0.8
71.04997	0.6
73.02927	4.5
79.05495	4.5
81.03423	3.7
81.07053	5.7
83.04981	2.2
83.08614	1.3
85.02898	5.4
91.03958	2.4
91.05474	5.7
93.07061	4.7
95.04978	2.2
95.08596	4.1
97.02891	4.7
97.06535	0.8
99.04444	1.3
101.02370	2.4
103.05398	0.6
103.10827	0.4
105.07035	3.6
107.04970	1.6
107.08611	2.3
109.02869	0.8
109.06528	2.1
109.10162	1.5
111.04422	0.7
112.14452	0.5
117.07017	1.6
117.84859	0.6
119.08600	2.2
121.06512	0.9
121.10148	1.4
121.40269	0.5
123.08115	1.0
127.03939	1.4
129.06985	0.9
131.08592	2.2
133.10089	3.1
135.11723	1.2
143.08574	0.7
145.10126	1.9
147.11708	1.4
151.11206	0.7
161.09650	1.1
163.11205	1.8
175.11154	0.7
185.04149	1.0
193.12459	0.6
221.03801	0.5
243.08376	3.9
247.13087	0.6
249.11009	0.5
262.63034	0.5
313.17853	1.0
315.10425	0.7
331.18820	1.1
370.73511	0.5
373.10791	0.6
451.19373	0.9
453.20621	0.6
465.20920	2.1
467.18936	6.5
482.01303	0.6
531.25696	3.3
539.21002	0.8
549.26715	4.9
551.28284	1.8
677.31500	4.2
710.11731	0.6
757.37665	13.5
758.37665	1.7
775.38922	100.0
776.39258	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	775.387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
55.05513	2.9
57.03430	2.1
59.04988	0.8
60.67182	0.4
61.02929	4.5
63.51254	0.4
67.05512	3.3
69.03428	4.1
69.07066	2.4
71.01379	0.8
71.05004	0.5
73.02905	3.8
79.05492	3.9
81.03415	2.3
81.07053	3.3
83.01366	0.5
83.04992	1.1
83.08637	1.0
85.02907	5.3
86.39298	0.4
91.03963	1.8
91.05486	2.2
93.07059	2.9
95.04955	1.1
95.08627	1.4
97.02890	5.3
97.06556	0.6
97.10181	1.8
98.23392	0.8
99.04482	0.9
99.66565	0.4
101.02384	1.4
104.58018	0.4
105.07050	2.2
107.04995	1.4
107.08607	2.1
109.02904	0.8
109.06529	0.7
109.10181	1.0
115.03963	0.5
117.07012	1.1
119.08605	1.6
121.06551	0.6
121.10165	1.3
123.08098	1.2
125.09632	1.2
127.03944	1.2
131.08577	0.8
133.10231	0.7
135.11710	0.8
145.10155	1.6
147.08076	0.6
155.12201	0.4
163.11201	2.3
181.17371	0.4
185.04242	0.7
223.13333	1.2
243.08409	2.6
249.10970	0.5
283.15323	0.8
291.19559	1.3
331.18875	1.3
410.40698	0.5
410.46439	0.6
467.18933	8.5
468.19321	0.8
539.21808	0.6
549.26794	4.9
604.30432	0.5
775.38715	100.0
776.39032	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	775.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.6
55.05519	5.7
56.96569	2.6
57.03444	3.4
57.07059	0.6
61.02937	5.1
65.03925	0.7
67.05506	9.0
68.05828	0.7
69.03431	4.5
69.07072	3.9
69.16682	1.9
69.17106	2.1
71.01389	0.5
71.04996	1.1
71.08636	0.9
73.02917	3.4
79.05496	8.4
79.48105	0.4
80.05803	0.7
81.03421	5.7
81.07059	10.1
82.07387	0.9
83.01363	1.2
83.05009	3.0
83.08629	3.0
85.02905	5.6
85.06564	0.5
86.09734	0.6
87.04524	0.4
91.03948	2.4
91.05474	7.2
92.05833	1.3
93.07041	9.0
94.07389	1.3
95.04966	2.6
95.08612	4.3
97.02885	5.3
97.06538	1.8
97.10188	1.6
98.97580	7.2
99.04463	1.5
99.08100	0.5
101.02380	1.3
103.05484	0.5
105.07030	6.2
106.07397	0.7
107.04961	2.0
107.08601	5.1
109.02884	1.0
109.06532	2.0
109.10159	2.4
110.97589	1.4
111.04427	0.4
111.08070	0.7
112.99146	2.0
115.05512	0.6
116.98615	3.1
117.07047	2.4
119.08568	4.2
120.08961	0.4
121.10131	2.3
123.08074	1.4
123.11692	0.5
125.09667	1.5
126.03716	0.4
127.03938	1.8
128.98610	2.2
129.05521	0.5
129.07007	1.6
130.07582	0.5
131.00165	2.9
131.08589	2.0
133.10150	2.2
134.99664	0.7
135.08113	1.6
135.11696	2.3
137.09650	1.4
143.00189	0.9
143.08539	0.7
145.10118	3.4
146.99654	1.1
147.08052	0.6
147.11707	2.3
149.01212	2.8
149.13300	0.5
151.11143	1.1
153.09047	0.5
153.12805	0.5
155.08624	0.5
157.10117	1.0
158.99678	2.6
159.11725	1.3
159.68806	0.5
161.01283	1.1
161.09561	0.6
161.13260	1.1
163.11183	3.9
164.11520	0.6
170.99634	3.1
171.11699	0.8
173.01299	0.6
173.09627	0.6
173.13298	0.5
175.11229	0.8
177.00745	3.4
181.12192	0.6
184.07401	1.2
185.01270	0.8
189.00679	3.7
189.11250	0.6
191.02365	0.6
193.12297	0.7
195.13831	0.8
199.02742	0.5
201.00685	0.7
203.02243	1.1
209.11652	1.1
211.13177	0.5
213.00925	0.5
217.03912	0.6
219.01851	1.7
223.13269	0.8
227.12868	1.0
229.14403	0.9
239.34633	0.6
243.08400	3.6
249.11070	0.8
255.12421	0.5
259.08133	0.5
259.20526	0.8
261.02887	1.5
269.17459	0.8
275.04602	0.5
275.20035	0.6
279.03885	2.5
283.15378	4.1
284.13028	0.6
284.15906	1.8
285.17139	0.6
291.19571	1.3
293.05466	3.8
301.08994	0.6
309.04913	0.6
311.06583	1.4
317.17838	2.3
321.04935	8.0
331.18958	1.2
335.19125	0.7
339.06042	0.5
352.25687	0.6
381.07068	1.0
387.21350	0.7
437.10040	1.9
455.10779	3.9
462.28885	0.5
467.18851	9.3
468.19409	0.8
477.28497	2.6
478.29019	4.6
483.18646	0.6
496.07416	0.6
549.26648	4.2
550.27014	0.7
553.27527	0.6
560.36652	1.5
715.32019	2.9
775.38696	100.0
776.39081	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	775.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
55.05510	4.0
57.03440	1.6
61.02924	1.1
67.05507	12.2
69.03431	1.5
69.07088	2.5
71.01363	1.0
79.05506	6.8
81.03429	2.3
81.07055	8.2
83.04976	1.7
83.08617	1.8
83.26018	1.0
85.02936	1.4
85.07779	0.9
86.09718	1.6
91.05489	5.8
93.07041	6.8
95.04996	1.9
95.08599	6.3
97.02911	0.9
97.06528	1.1
97.10173	2.2
105.07050	4.4
107.04955	1.7
107.08607	5.3
109.06554	1.2
109.10174	3.8
117.07040	1.9
119.08625	2.8
121.10181	3.4
125.09672	1.1
129.07095	1.0
131.08589	3.3
133.10147	2.8
145.10150	3.2
147.08061	1.1
147.11726	1.0
149.13351	1.1
159.11668	1.0
173.11761	0.9
184.07309	4.3
193.22729	0.9
195.96092	0.9
205.87086	0.8
209.11702	1.1
229.14413	1.2
229.88206	1.1
261.22171	2.0
262.22388	1.3
299.14999	4.0
300.15317	2.6
335.25787	5.0
336.26254	2.5
351.84537	0.9
439.86160	0.9
475.40295	0.9
551.25775	0.9
560.37042	1.9
775.40320	100.0
776.40808	18.2
807.22119	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.6
55.05516	2.7
57.03432	2.5
61.02925	5.8
65.03941	0.6
67.05502	7.3
67.05829	0.4
69.03429	4.0
69.07066	3.2
71.01365	0.8
71.05013	0.8
71.29971	0.5
73.02257	0.3
73.02916	4.1
74.17939	0.3
79.05490	7.6
79.05914	0.5
81.03418	2.8
81.07057	6.9
82.07416	0.5
83.05009	1.8
83.08643	1.3
85.02902	6.5
86.09718	0.4
91.03967	3.2
91.05475	7.1
91.06001	0.4
93.07037	6.9
95.04974	3.1
95.08598	4.6
97.02891	5.3
97.06591	1.6
97.10217	0.5
99.04491	1.4
101.02393	2.4
105.07025	5.8
107.05014	1.3
107.08598	3.4
109.02917	1.0
109.06496	2.2
109.10216	1.2
111.08128	0.5
117.07076	1.5
119.08593	3.7
121.06509	0.8
121.10191	1.2
123.08124	0.9
123.11733	0.7
125.06081	0.6
127.03902	1.8
129.07066	1.7
131.08577	1.9
133.10106	2.3
135.08174	0.7
135.11673	0.9
137.06149	0.5
137.09683	0.4
143.08635	1.0
145.05020	0.4
145.10124	2.1
146.10504	0.5
147.08099	0.7
147.11691	2.0
149.09676	0.7
149.13341	0.7
151.11224	0.6
157.10260	0.6
159.11761	0.9
161.09724	0.6
161.13271	0.9
163.11240	1.6
168.03233	0.5
171.11806	1.3
184.07399	0.8
185.04286	0.8
203.05524	0.4
227.10670	0.4
243.08397	3.5
247.13249	0.8
275.19992	0.5
331.18918	0.7
333.20587	1.1
389.23547	0.7
439.19553	1.0
453.21082	0.9
465.20963	7.5
465.26950	0.5
466.21509	0.5
467.18893	3.2
473.36130	0.4
531.26031	1.1
549.26648	2.1
551.28241	4.7
552.29138	0.5
677.32159	0.9
757.37677	5.0
758.38513	1.4
775.41730	100.0
776.42004	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	775.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.1
55.05510	3.6
57.03439	2.3
57.07073	0.3
61.02927	5.0
65.03950	0.5
67.05506	7.3
67.05839	0.6
67.34663	0.4
68.05841	0.4
69.03432	3.6
69.07067	3.7
71.01372	0.8
71.05001	1.4
71.60384	0.3
73.02917	4.2
77.03932	0.5
79.05495	7.7
80.05833	0.4
81.03414	3.4
81.07053	7.1
83.04977	1.9
83.08632	1.3
85.02908	5.6
85.06572	0.4
85.86443	0.3
86.09747	0.4
87.04455	0.4
89.85036	0.3
91.03959	3.3
91.05480	7.5
93.07045	6.4
94.07377	0.8
95.04965	2.5
95.08601	3.5
97.02896	4.6
97.06560	0.9
97.10168	0.8
98.22555	0.8
99.04443	0.7
99.08122	0.3
101.02384	1.8
105.07031	5.8
107.04990	1.2
107.08598	3.0
108.08920	0.4
109.02860	0.8
109.06569	0.7
109.10155	1.8
111.08107	0.6
117.07011	2.3
119.08605	3.0
120.08988	0.5
121.06585	0.6
121.10178	1.1
123.08081	0.8
127.03921	1.1
128.06259	0.4
129.07019	1.7
131.08537	1.6
132.08894	0.4
133.06615	0.4
133.10103	1.6
135.08134	0.7
135.11723	1.3
136.11974	0.4
137.09668	0.5
137.50383	0.4
143.08565	0.8
145.10100	1.6
147.11684	2.3
149.09631	0.4
157.10155	0.7
159.11737	0.7
161.09747	0.4
161.13292	0.9
163.11182	0.8
166.68097	0.4
171.11731	1.3
184.07445	1.4
185.04266	0.6
193.12341	0.6
207.13826	0.6
243.08377	3.2
247.13211	1.3
248.92653	0.4
285.17084	0.4
291.19470	0.5
292.19858	0.4
303.15991	0.6
319.25168	0.3
331.18979	0.4
333.20441	1.6
398.23532	0.3
439.19925	0.5
453.20911	0.5
465.20990	9.2
465.27106	0.6
467.19034	1.8
467.63464	0.4
468.19177	0.3
520.33228	0.8
549.27069	0.6
551.28302	3.8
578.37347	0.7
613.39703	0.4
702.26929	0.4
717.35022	0.5
757.37988	1.3
775.42194	100.0
776.42627	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	775.424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.9
55.05512	7.7
57.03437	4.6
59.05001	0.8
61.02928	6.8
67.05508	21.1
69.03426	4.5
69.07069	6.8
71.01368	1.0
71.05003	1.9
71.28422	0.9
73.02927	4.4
79.05493	17.0
80.05846	0.8
81.03418	4.6
81.07060	13.5
82.07394	1.1
83.04991	2.8
83.08631	3.0
85.02905	7.0
91.03977	4.3
91.05482	14.7
92.05843	1.7
93.07050	14.8
94.07399	1.0
95.04981	4.3
95.08611	10.3
97.02888	5.3
97.06526	1.9
97.10178	1.9
99.04442	1.6
101.02405	2.1
103.03968	0.8
105.07026	9.6
106.07366	0.8
107.04986	2.1
107.08605	6.8
109.02870	1.6
109.06572	1.3
109.10159	6.1
111.08122	1.2
113.11119	0.8
117.07050	4.7
117.07746	0.7
119.08585	7.7
121.06525	1.8
121.10124	5.1
123.08072	0.9
125.09650	2.0
127.03945	2.0
129.07011	3.1
131.08586	3.2
133.10147	4.6
135.08093	0.9
135.11714	2.5
143.08569	1.8
145.10120	3.8
147.11678	5.4
149.13295	1.2
157.10225	1.0
159.11751	1.7
161.09653	1.4
161.13298	1.9
163.11211	1.6
171.11713	4.7
184.07372	2.9
203.05202	0.9
229.14372	1.3
236.14937	1.0
243.08369	4.2
247.13174	5.3
259.71429	0.8
261.22226	2.3
262.22412	1.1
275.20294	1.2
281.17462	1.4
289.21646	0.8
299.14944	4.2
300.15332	2.5
303.15884	2.6
307.22906	1.0
335.25778	8.3
336.26117	4.0
349.23761	0.8
465.20956	32.7
466.21387	2.9
467.21609	0.9
527.29840	1.4
533.27649	1.7
537.22644	1.0
551.28595	4.1
559.36542	0.9
560.36719	2.4
561.37299	1.7
602.07111	0.8
613.40509	0.8
659.34430	2.1
677.35333	4.7
687.36993	0.9
689.35010	100.0
690.35522	10.6
729.38721	1.3
757.40997	11.4
758.41809	1.7
775.41858	48.2
776.42096	6.9
796.81866	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	25.4
55.05511	36.5
57.03439	30.5
57.07083	4.1
59.04997	7.0
61.02920	9.1
65.03935	7.1
67.05505	71.2
68.05813	4.0
69.03417	16.9
69.07066	37.5
71.01349	4.8
71.04979	25.4
71.28597	4.1
73.02898	4.7
79.05492	100.0
80.68840	2.6
81.03420	37.4
81.07056	94.0
83.01333	14.0
83.04982	32.0
83.08612	23.1
85.02908	21.2
85.06548	8.3
86.09739	4.1
87.04452	3.9
91.05477	91.7
92.05812	3.2
93.07042	76.9
95.01340	4.7
95.04966	34.0
95.08598	31.5
97.02879	16.1
97.06522	41.3
97.10168	8.0
99.04461	3.1
99.08099	4.9
99.15428	2.7
103.05482	5.1
105.07024	39.8
107.04942	28.0
107.08591	62.5
109.02876	6.3
109.06507	33.4
109.10161	20.8
111.04441	13.4
111.08084	10.6
112.97086	3.0
113.05981	4.5
115.05471	11.9
115.07610	7.9
117.07018	60.2
119.08569	30.8
121.06536	10.3
121.10143	28.4
123.04443	3.5
123.08040	14.5
124.99984	3.6
125.09614	8.8
127.03925	8.0
127.07560	6.1
129.05495	5.5
129.06963	14.1
131.04929	3.1
131.08563	25.9
133.06503	6.9
133.10127	19.2
135.08052	68.9
135.11703	16.1
137.09593	10.4
139.07526	4.3
139.11217	3.3
143.07062	3.4
143.08563	10.4
145.06490	6.7
145.10104	30.1
147.08069	12.5
147.11693	8.5
149.09631	19.1
149.13277	8.7
151.11150	4.7
153.09045	5.0
155.08591	4.0
157.10130	5.4
159.08086	8.6
159.11722	8.9
161.09621	11.5
163.07568	10.4
163.11198	28.3
165.09149	6.3
169.10167	5.2
171.11646	4.5
173.09621	7.0
175.11192	6.9
177.09122	8.3
177.12759	3.9
181.08659	4.5
181.12270	4.8
184.07341	8.7
189.11177	3.2
191.10677	8.1
195.13847	3.3
199.09654	5.8
199.14957	2.9
201.11133	15.4
209.11752	9.6
211.14815	4.1
217.15868	4.7
227.12801	11.1
229.14369	8.6
239.12848	5.4
241.14256	6.2
245.15393	15.8
247.16870	7.0
255.12271	58.8
257.19025	5.0
269.17535	4.5
275.20190	6.1
283.15359	65.5
284.15793	3.7
321.20645	6.6
337.20041	4.8
349.23886	3.8
350.70987	3.4
395.20767	3.6
409.22229	31.7
449.25317	92.4
450.25494	6.2
475.34143	4.6
489.28070	4.5
529.31836	19.0
530.31921	3.7
545.31299	4.5
561.33374	10.6
593.29962	13.3
777.39471	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	776.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	6.5
55.05512	35.6
57.03443	13.1
57.07073	11.2
59.05020	4.6
61.02923	3.9
65.03924	2.5
67.05508	43.9
68.35680	1.7
69.03435	3.2
69.07073	39.9
71.01348	3.9
71.05000	6.1
71.08643	6.6
71.28228	2.7
79.05494	36.4
81.03419	28.8
81.07056	47.5
83.01367	3.5
83.04994	15.1
83.08621	31.1
85.02930	9.7
85.06544	3.8
85.10188	3.6
86.09710	4.9
91.05479	23.1
93.07040	35.7
95.04986	12.4
95.08604	40.6
95.09158	2.6
97.02901	9.9
97.06510	14.4
97.10164	19.7
97.10705	2.5
99.04423	2.9
99.08112	2.7
105.07031	12.0
107.04953	23.3
107.08595	24.6
109.06506	11.2
109.10163	16.7
111.04443	31.4
111.08079	4.2
111.11776	3.2
113.06024	3.1
117.07014	8.3
119.08593	15.6
121.06524	9.4
121.10159	23.1
123.08079	10.2
123.11711	4.9
125.00029	2.5
125.05991	7.9
125.09643	4.2
129.07031	3.8
131.08568	12.3
133.10147	2.6
135.08054	4.5
135.11691	20.3
137.09641	2.8
145.10126	26.0
147.08020	2.7
149.09659	2.9
149.13240	2.9
153.12723	12.7
155.08559	4.0
161.09654	1.9
163.11182	37.7
173.09659	9.6
177.12685	1.8
180.18948	2.0
181.12221	5.1
184.07317	15.5
191.10680	14.2
195.10106	2.2
205.12416	2.7
209.11742	14.5
223.13307	25.3
227.12822	16.0
236.14973	4.9
241.14342	47.6
265.14395	12.1
265.25412	2.1
283.15375	34.8
284.15894	2.4
297.17126	3.7
315.18018	65.4
315.21710	3.8
316.18460	4.8
339.28934	100.0
340.29407	7.7
356.47772	1.8
368.25064	1.9
529.38965	16.5
530.39325	3.5
547.39941	82.5
547.48407	4.3
548.40521	10.5
579.42554	75.5
580.43237	8.3
610.10364	1.9
676.77722	1.9
764.29926	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
55.05511	1.5
57.03430	1.3
61.02916	2.0
64.18744	0.5
67.05511	2.9
69.03427	1.3
69.07057	2.1
70.06575	1.3
71.28153	0.5
71.28576	0.7
73.02905	2.4
79.05499	3.7
81.03393	1.2
81.07047	3.3
83.04965	1.4
83.08601	1.0
85.02897	2.1
91.03953	1.2
91.05478	3.5
92.71049	0.5
93.07031	3.4
94.07358	0.8
95.04985	1.3
95.08592	2.2
97.02885	2.2
98.41600	0.6
99.04436	0.8
101.02404	0.7
105.07056	3.3
107.08600	1.4
112.91152	0.7
119.08553	1.8
121.10132	0.9
121.92879	0.6
123.11741	0.8
131.08545	0.8
133.10095	1.1
135.11725	1.1
145.10072	1.1
147.11652	0.7
167.53786	0.6
243.08272	0.9
439.19324	0.7
465.20660	1.1
466.20935	1.3
467.20609	0.9
533.27026	0.9
541.14087	0.6
551.26624	1.7
552.28424	1.2
553.28839	0.8
581.28925	0.8
594.24915	0.8
654.33929	0.7
681.24902	0.7
691.32660	4.5
712.16968	0.7
731.37061	3.0
759.39429	3.5
777.38849	100.0
778.38745	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	777.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
55.05511	1.5
57.03430	1.3
61.02916	2.0
64.18744	0.5
67.05511	2.9
69.03427	1.3
69.07057	2.1
70.06575	1.3
71.28153	0.5
71.28576	0.7
73.02905	2.4
79.05499	3.7
81.03393	1.2
81.07047	3.3
83.04965	1.4
83.08601	1.0
85.02897	2.1
91.03953	1.2
91.05478	3.5
92.71049	0.5
93.07031	3.4
94.07358	0.8
95.04985	1.3
95.08592	2.2
97.02885	2.2
98.41600	0.6
99.04436	0.8
101.02404	0.7
105.07056	3.3
107.08600	1.4
112.91152	0.7
119.08553	1.8
121.10132	0.9
121.92879	0.6
123.11741	0.8
131.08545	0.8
133.10095	1.1
135.11725	1.1
145.10072	1.1
147.11652	0.7
167.53786	0.6
243.08272	0.9
439.19324	0.7
465.20660	1.1
466.20935	1.3
467.20609	0.9
533.27026	0.9
541.14087	0.6
551.26624	1.7
552.28424	1.2
553.28839	0.8
581.28925	0.8
594.24915	0.8
654.33929	0.7
681.24902	0.7
691.32660	4.5
712.16968	0.7
731.37061	3.0
759.39429	3.5
777.38849	100.0
778.38745	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	777.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.5
55.05519	3.4
57.03428	4.0
57.07097	0.7
58.06591	0.8
58.95036	0.6
59.05005	0.7
61.02925	10.2
67.05499	6.7
69.03431	6.0
69.07069	2.4
69.53033	3.0
69.53437	1.2
71.01356	1.1
71.05016	2.2
73.02921	5.9
79.05497	5.9
81.03410	6.0
81.07049	5.7
83.01353	1.1
83.04996	2.7
83.08614	2.0
85.02905	10.6
87.04495	0.8
91.03944	5.3
91.05480	6.0
93.07041	8.1
94.07422	0.8
95.04998	2.6
95.08607	4.4
97.02888	8.6
97.06542	1.4
97.10170	0.8
98.22656	1.0
99.04468	1.9
101.02391	3.9
105.07032	3.9
107.04971	2.1
107.08574	3.4
109.02901	2.2
109.06544	1.9
109.10187	2.1
115.03925	0.7
117.07063	2.6
119.08564	3.7
121.10180	2.1
123.08080	2.3
125.09662	1.0
127.03947	2.7
127.11240	1.0
129.07018	1.0
131.08626	1.8
133.10152	1.8
135.11714	3.4
143.08612	0.8
145.10115	3.5
147.11679	1.5
159.11752	0.8
163.11179	4.4
183.12434	0.7
185.04218	1.9
203.05327	1.3
209.11665	0.9
236.14699	0.8
243.08443	6.0
247.13101	1.7
249.11075	1.4
263.12460	0.8
272.64389	0.8
281.17609	0.9
283.15485	1.7
287.16080	0.8
293.21085	0.9
305.13834	1.2
333.20334	1.0
360.89542	0.7
385.18253	0.8
465.20923	7.1
466.21472	0.9
467.18884	23.8
468.19254	2.7
469.19525	0.8
529.27686	1.0
533.27124	1.7
551.28119	4.9
651.29828	0.9
661.31848	1.3
679.32782	4.1
689.31915	0.9
691.32959	85.7
692.33307	9.3
707.32813	1.0
719.39508	1.0
731.38629	1.2
759.38910	12.4
760.39117	0.9
777.40021	100.0
778.40283	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	777.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	5.1
57.03434	4.7
61.02711	0.8
61.02934	10.3
65.03948	1.1
67.05515	7.4
68.93240	1.1
69.03412	6.2
69.07067	3.4
70.06590	1.1
71.04985	1.7
73.02910	7.7
79.05496	10.7
80.05856	1.1
81.03432	5.9
81.07055	10.0
83.04967	2.5
83.08613	3.1
85.02906	13.6
87.04468	1.3
91.03967	7.4
91.05491	13.0
93.07036	11.1
95.04954	3.3
95.08632	6.7
97.02895	8.8
97.06547	1.8
99.04469	2.0
101.02389	2.8
105.07037	7.6
107.04964	2.6
107.08592	5.5
109.02897	2.6
109.06538	1.4
109.10152	2.0
117.07053	3.7
119.07851	1.2
119.08562	5.7
121.10133	2.9
123.08103	1.4
127.03938	1.7
129.07005	2.2
131.08583	3.1
133.10133	4.3
135.08084	1.2
135.11716	3.4
143.08545	1.9
145.10155	4.1
147.11626	2.5
163.11198	3.1
169.10072	1.2
173.13203	1.5
184.07327	2.4
185.04253	3.6
201.03764	1.6
221.11432	1.4
225.93275	1.2
243.08424	6.8
283.15836	1.1
301.09097	3.4
315.10547	2.1
333.20154	1.3
369.15121	1.5
371.16711	2.0
373.11011	2.9
385.18332	2.6
439.19366	1.7
465.20844	5.4
467.18719	15.9
468.19101	1.7
469.20331	1.7
483.17792	2.2
505.24030	6.8
506.24072	1.3
533.26801	4.9
538.24097	1.2
539.20996	1.9
551.28406	6.6
621.32654	7.4
622.33026	2.5
632.04858	1.5
649.32001	2.4
663.33362	1.6
679.32916	4.0
689.34180	1.6
691.32953	20.8
692.32916	3.3
703.36829	2.8
707.32074	2.9
708.32532	1.2
711.06763	1.1
719.37830	5.3
731.36127	55.7
732.36414	6.5
759.39075	17.3
760.39697	2.8
777.39899	100.0
778.40442	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	777.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.6
55.05513	2.0
57.03442	1.8
61.02927	4.7
67.05515	3.0
69.03427	3.3
69.07057	2.3
69.31248	2.4
71.01374	0.6
71.04984	0.8
73.02917	2.8
79.05482	2.8
81.03427	2.3
81.07045	3.7
83.04996	1.5
83.08645	0.8
85.02907	5.3
91.03956	2.3
91.05473	3.5
92.12391	0.4
93.07034	3.6
95.04996	1.0
95.08619	1.3
96.34127	0.3
97.02890	4.2
97.06545	0.7
97.10171	0.8
99.04478	0.7
101.02392	1.8
105.07018	2.3
107.04984	0.8
107.08593	1.9
109.02895	0.5
109.06528	0.8
109.10154	0.6
111.08086	0.4
117.07041	1.0
119.08607	1.4
121.10171	1.1
123.08104	1.2
127.03947	1.0
129.07031	0.7
131.08592	0.5
133.10173	1.1
135.11720	1.0
145.10146	0.9
147.38451	0.4
151.25249	0.4
154.78505	0.4
163.11261	1.6
172.81047	0.4
185.04289	0.7
203.05486	0.4
209.11682	0.4
243.08411	2.4
249.11154	0.6
249.74481	0.4
275.90771	0.3
283.15488	0.7
301.09409	0.4
333.20532	1.4
389.22928	0.5
423.93063	0.4
439.19815	0.5
453.20950	0.4
467.18890	7.7
468.19577	0.6
469.20914	1.1
551.28174	5.7
552.28735	0.5
674.43951	0.4
676.19446	0.4
777.40234	100.0
778.40570	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
55.05511	2.8
57.03436	3.0
61.02929	7.0
67.05509	4.5
69.03437	4.8
69.07056	2.0
69.50697	0.8
69.51099	1.2
71.01360	0.6
71.04969	0.7
73.02924	4.6
79.05500	4.9
81.03413	2.7
81.07055	5.3
83.01363	0.5
83.04980	2.0
83.08622	1.2
85.02905	5.7
86.10217	0.5
91.03957	3.2
91.05497	4.0
91.06024	0.5
92.40669	0.4
93.07040	4.0
95.04987	1.8
95.08602	2.6
97.02902	6.1
97.06556	1.1
97.10189	0.5
99.04485	1.2
101.02381	2.2
105.07037	3.1
107.04966	0.9
107.08598	2.4
109.02936	0.5
109.06541	1.0
109.10200	1.1
117.07058	1.7
119.08610	1.8
121.06554	0.7
121.10179	1.6
123.08082	1.2
127.03954	1.5
131.08545	1.0
133.10182	1.3
135.08070	1.0
135.11687	2.1
142.71051	0.5
145.10092	2.0
145.97105	0.5
147.08093	0.6
149.09729	0.5
159.11778	0.5
161.13292	0.5
163.11179	3.4
178.43596	0.5
185.04187	0.7
185.69882	0.4
203.05327	0.6
209.11833	0.6
226.17183	0.4
242.82253	0.4
243.08434	4.0
283.15424	0.8
322.98398	0.5
333.20398	1.5
335.72971	0.4
439.19467	1.3
453.21472	0.9
467.18866	10.1
468.19821	0.7
469.20724	0.7
551.28473	4.3
679.33716	0.5
759.39111	0.6
777.40253	100.0
778.40662	16.2
778.55060	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.44
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39731	0.7
55.01870	1.3
55.05523	3.3
57.03425	3.3
57.07076	0.8
61.02924	5.8
65.03945	0.9
67.05508	12.1
69.03428	3.9
69.07077	3.4
71.01354	0.8
71.05006	1.5
73.02921	3.5
75.45081	0.6
77.26083	0.6
79.05500	8.5
80.52451	0.6
81.03423	2.9
81.07059	10.2
83.04998	1.4
83.08645	1.6
85.02910	7.3
85.06560	1.2
86.09718	1.6
91.03982	2.3
91.05486	5.6
93.07050	8.4
95.04959	3.9
95.08610	6.1
97.02906	4.6
97.06516	1.2
98.22571	2.4
99.04454	1.3
101.02398	2.4
105.07036	4.3
105.51962	0.7
107.04952	1.2
107.08625	3.0
109.06511	4.0
109.10200	2.5
111.04501	1.0
113.05987	1.9
115.04020	0.8
117.07049	1.4
119.08622	3.0
121.10158	3.1
123.08086	0.7
125.00054	1.1
127.03925	1.6
129.07025	1.1
131.08612	2.8
133.10191	2.3
135.08090	2.7
135.11758	1.7
141.07161	0.7
145.10201	2.2
147.11708	1.1
149.13269	0.8
159.11650	1.4
161.09656	0.9
163.11215	1.1
184.07405	4.0
217.16022	0.8
236.15179	1.0
243.08415	1.9
273.18503	1.8
281.13556	5.4
291.19498	4.5
299.14795	1.3
304.91675	0.8
307.22714	4.9
338.27750	0.9
399.26096	0.8
499.21481	4.3
519.29358	8.0
579.40479	0.9
597.41602	2.7
777.43927	100.0
778.44141	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	778.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	15.9
57.03440	9.2
57.07079	13.2
57.62296	3.2
58.06613	18.7
60.08157	8.1
67.05510	40.4
68.35322	3.4
68.97155	19.6
68.97578	17.9
69.07072	17.0
69.14389	4.8
71.07400	4.1
71.08633	7.1
71.27868	3.8
73.02967	3.3
78.75010	3.4
79.05501	48.5
81.03426	19.4
81.07067	39.5
83.04998	7.4
83.08633	5.9
86.09701	30.8
87.04461	7.9
89.06020	6.0
91.05479	37.7
93.07046	38.8
95.04968	9.3
95.08609	38.9
97.06508	6.0
97.10127	5.0
98.98451	5.6
105.07032	23.0
107.04962	10.5
107.08593	25.4
109.10162	13.1
117.07018	16.7
119.08596	21.7
121.10155	20.6
124.99995	25.6
129.07031	5.1
131.07732	5.3
131.08574	27.4
133.10141	18.3
135.08063	5.1
135.11707	13.2
141.09203	4.4
144.10207	5.5
145.10139	21.2
147.11679	6.2
149.09619	23.0
159.11687	12.2
171.11865	4.6
173.13257	7.7
179.61136	4.2
184.07353	100.0
185.13416	4.7
193.12314	11.3
201.16406	32.4
203.17964	6.5
211.14873	4.6
229.15970	9.4
236.14966	40.8
247.16972	7.1
264.19580	3.5
267.15894	8.7
267.70169	4.9
285.16940	13.5
307.22748	10.0
321.20535	8.8
335.25861	26.6
581.41968	50.2
582.34247	4.2
594.20099	3.7
606.48956	3.8
760.53979	6.4
778.54004	32.4
805.52295	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	779.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.2
55.05519	2.5
57.03448	2.5
59.86605	0.4
61.02927	5.8
61.76254	0.4
67.05504	4.6
67.47433	0.4
69.03429	3.6
69.07087	2.3
69.66295	2.2
71.01346	0.6
71.04988	0.8
73.02917	3.9
79.05502	4.4
80.49716	0.4
81.03423	2.7
81.07069	4.0
83.04993	1.8
83.08634	1.1
85.02897	5.2
87.04456	0.5
91.03970	2.7
91.04448	0.5
91.05482	3.4
93.07045	3.8
95.04992	1.5
95.08624	2.1
97.02898	4.7
97.06546	0.9
97.10153	0.4
98.22740	0.5
99.04484	1.4
101.02393	1.6
105.07017	2.8
107.04956	1.0
107.08602	2.3
109.02885	0.8
109.06536	0.7
109.10204	1.3
112.69686	0.4
113.62511	0.5
117.07028	1.1
119.08620	1.9
121.10193	1.3
123.08093	0.9
123.81001	0.4
127.03924	1.4
129.05585	0.5
131.08574	1.2
133.10158	1.4
135.08118	0.7
135.11707	1.6
145.10159	1.5
147.07983	0.5
147.11740	0.5
149.27164	0.4
163.11247	1.7
181.12329	0.5
184.07285	0.4
185.04271	0.7
243.08333	2.5
249.10966	0.4
273.81519	0.4
283.15430	0.8
315.10901	0.5
335.22144	1.6
358.90005	0.4
391.24689	0.7
439.19464	1.0
467.18863	6.5
467.24841	0.6
468.19305	0.8
469.20529	0.8
536.91705	0.4
553.29730	5.2
641.79291	0.6
665.32715	0.7
693.34229	1.3
733.37671	2.0
761.40588	1.9
779.41791	100.0
780.42236	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	779.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45874	0.3
55.01881	1.0
55.05505	2.2
56.30024	0.3
57.03443	2.5
60.28579	0.4
61.02922	4.4
62.66444	0.3
65.03920	0.4
67.05506	4.4
69.03431	2.6
69.07322	2.1
71.01374	0.6
71.05002	1.2
73.02921	3.4
73.15022	0.4
79.05497	4.2
80.05042	1.0
81.03419	4.9
81.07066	4.7
82.73903	0.4
83.04993	1.5
83.08646	0.8
85.02416	0.6
85.02909	5.7
85.06575	0.4
86.09727	0.8
87.04516	0.4
91.03963	2.1
91.05488	4.8
93.07050	3.5
94.07427	0.5
95.04954	2.5
95.08617	2.5
97.02901	3.6
97.06554	1.0
97.10207	0.6
99.04471	0.9
101.02390	1.7
103.03979	0.4
103.05491	0.8
105.07041	3.2
107.04996	0.9
107.08617	1.8
108.08965	0.4
109.02898	0.8
109.06549	1.1
109.10189	1.0
111.08116	0.6
113.06057	0.5
115.03927	0.4
117.07068	0.8
119.08596	2.1
121.10184	1.3
123.08054	0.6
127.03958	1.5
129.07031	1.0
131.04959	0.4
131.08612	1.3
133.10167	1.6
135.08095	0.7
135.11768	0.7
145.10178	0.6
147.11732	1.1
149.09653	0.5
151.11270	0.3
157.10182	0.7
163.11200	0.4
171.11674	0.5
184.07455	1.2
185.04234	0.8
193.12352	1.6
197.13254	0.4
199.09846	0.4
212.46162	0.3
228.10223	4.1
243.08427	2.1
251.12688	0.5
307.15414	0.5
333.20511	1.1
444.53259	0.3
453.21289	0.5
461.40695	0.4
469.20428	6.7
470.20648	0.7
551.28204	3.6
555.27966	0.4
779.41901	100.0
780.42236	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.1
55.05510	2.6
56.13906	0.3
56.96543	0.3
57.03438	2.0
57.07086	0.4
58.06631	0.3
59.05032	0.4
61.02928	5.2
65.03970	0.4
67.05506	4.7
69.03436	2.8
69.07070	1.1
69.28986	1.8
71.01364	0.7
71.05002	1.1
71.08633	0.4
71.43362	0.3
73.02919	3.6
79.05496	4.9
81.03416	2.8
81.07059	4.5
81.07474	0.5
83.01361	0.6
83.04971	1.7
83.08642	1.3
85.02908	4.9
85.06587	0.3
86.09744	0.4
87.04503	0.6
91.03951	2.8
91.05476	3.7
91.05997	0.3
93.07056	4.1
95.04980	2.3
95.08611	2.6
97.02890	4.2
97.06557	1.0
98.97636	0.4
99.04473	0.9
101.02396	1.7
105.07040	2.1
107.04985	1.0
107.08592	2.9
109.02911	0.9
109.06522	0.8
109.10189	1.4
111.04460	0.4
111.08078	0.6
115.24689	0.3
116.46591	0.3
117.07021	1.0
119.08590	1.8
121.06591	0.5
121.10185	1.2
123.08109	0.8
123.11782	0.3
124.98764	0.3
125.06071	0.3
127.03963	1.3
131.08611	1.0
133.10172	1.0
135.08118	0.3
135.11734	1.1
139.11258	0.4
143.08563	0.6
145.10152	1.1
147.11725	0.8
149.02444	0.4
149.13364	0.4
151.11226	0.5
153.12799	0.4
157.10139	0.5
159.11737	0.6
163.11128	1.9
173.09647	0.3
185.04196	0.6
202.18468	0.3
203.05357	0.4
243.08379	3.0
278.11115	0.3
283.15469	0.4
301.09082	0.4
310.14368	0.4
330.60684	0.4
335.22150	1.7
439.19644	1.0
453.21060	0.4
467.18842	5.9
468.19373	0.8
469.20578	1.0
535.28650	0.8
551.29248	0.4
553.29736	5.7
553.37482	0.4
554.30609	0.8
681.33997	0.4
693.35046	0.6
733.37799	2.2
761.39716	1.5
779.41766	100.0
780.42096	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
55.05506	1.6
57.03436	2.2
59.05005	0.4
61.02926	4.3
63.30141	0.3
67.05502	5.5
69.03429	3.1
69.07078	1.4
71.05006	0.9
73.00609	0.4
73.02920	4.0
79.05489	4.0
79.05855	0.4
81.03410	2.7
81.07066	4.5
83.08630	1.0
85.02905	5.0
86.09711	0.6
87.04472	0.6
91.03953	2.1
91.05481	3.9
93.07035	4.5
95.04990	1.4
95.08616	3.4
96.08979	0.4
97.02893	4.1
97.06540	0.6
97.10184	0.4
99.04491	0.6
101.02386	2.1
103.03963	0.5
105.07035	1.8
107.08573	2.2
109.02902	0.7
109.06530	0.6
109.10178	1.7
111.08070	0.4
111.65845	0.4
117.07047	0.7
117.67345	0.4
119.08606	1.6
121.10133	2.3
123.11695	0.6
124.99999	0.5
127.03957	1.2
129.07057	0.5
131.08589	1.5
133.10150	0.9
135.08089	0.5
135.11697	0.9
147.11739	1.4
149.09669	0.9
157.10251	0.5
159.11765	0.5
175.11261	0.7
184.07359	2.0
185.04167	0.7
193.12231	0.6
203.05142	0.4
236.15112	0.7
243.08472	2.0
283.15137	4.6
287.02725	0.4
335.25864	0.9
438.17023	0.4
501.23047	5.8
519.29193	7.8
519.36597	0.6
520.29657	0.8
530.06989	0.4
681.42865	0.4
779.45490	100.0
780.45721	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	780.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	7.5
55.05515	9.8
57.03445	5.1
57.07071	2.8
63.36451	2.6
67.05501	19.8
69.03439	7.2
69.07070	7.9
71.05009	2.9
71.08636	41.0
79.05498	27.4
81.03424	6.8
81.07056	20.6
83.01351	5.2
83.04998	10.9
83.08618	5.0
85.02919	6.0
85.06543	6.4
86.09709	11.2
91.05495	37.5
93.07055	23.8
95.04978	10.8
95.08626	10.2
97.02920	3.1
97.06546	9.0
98.61720	2.6
99.08102	29.2
100.38864	3.1
105.07033	23.7
107.04956	4.2
107.08590	8.4
109.06514	7.7
109.10169	4.0
115.05476	6.5
117.07027	28.7
119.08580	31.3
121.06506	9.9
121.10175	7.5
123.08074	10.8
125.00011	5.4
125.09656	2.3
128.06204	2.6
129.07037	14.1
131.08589	13.8
133.10124	7.9
135.11757	5.7
136.86311	2.3
141.07033	9.4
143.08578	13.4
145.10123	11.9
147.08086	3.5
149.09619	3.8
149.35490	2.6
151.11183	32.6
157.10158	5.8
159.11736	4.3
161.09621	6.5
163.11192	9.4
169.10143	11.8
171.11652	3.3
181.10178	3.4
184.07335	34.7
185.13213	12.4
187.11215	11.5
195.11827	2.4
203.14336	10.2
217.15849	12.6
227.12915	3.0
236.14941	5.2
283.15448	43.9
283.20538	6.9
291.19635	9.1
301.21646	7.9
302.14987	3.1
375.25238	26.3
583.36346	100.0
584.36591	12.3
780.41406	10.0
781.43231	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	782.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.9
57.03432	0.4
57.24990	0.1
59.23767	0.1
61.02917	0.2
65.03925	1.0
69.03429	2.4
71.04991	0.3
73.02923	0.1
76.10552	0.1
81.03423	0.9
83.01321	0.1
83.04979	3.9
85.02906	2.3
85.06525	0.1
86.02335	0.1
87.04479	0.1
91.05480	7.4
92.05798	0.1
95.04986	0.3
97.02883	2.3
98.06010	0.1
98.22553	0.2
99.00819	0.2
99.04462	0.8
101.02380	0.1
107.04958	0.3
109.02876	0.2
111.04434	0.7
113.05981	0.2
119.04943	18.4
120.05259	0.7
123.04408	0.3
127.03923	1.7
145.04951	1.0
147.04407	100.0
148.04735	3.7
157.05003	0.1
159.04332	0.1
163.03918	0.6
165.05486	1.8
165.06844	0.2
172.66165	0.1
177.05574	0.2
185.68373	0.1
206.41533	0.1
211.07553	0.4
213.09081	0.3
227.07018	0.2
229.08658	0.6
243.05009	0.2
247.09663	7.7
248.09947	0.4
265.10760	0.2
275.05371	0.1
291.08609	1.5
293.08054	0.2
309.09677	7.3
310.10065	0.4
321.09650	0.4
322.22171	0.1
339.10779	0.8
388.42239	0.1
393.13388	0.5
405.10205	0.3
455.13318	0.7
467.13287	1.0
656.96997	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.4
55.05511	21.6
57.03433	5.3
61.02936	1.1
65.03940	4.6
67.05503	7.1
69.03429	38.4
71.01334	2.1
71.04995	5.4
71.40044	1.1
73.02917	3.3
73.07453	0.6
79.05482	1.1
81.02996	0.5
81.03418	14.2
83.01342	1.1
83.04980	100.0
84.05338	1.7
85.02905	32.2
86.03247	0.7
87.04474	1.9
87.60443	0.7
87.84634	0.6
91.05483	12.1
93.03402	10.6
95.04975	4.9
96.04492	0.7
97.02892	20.6
98.06079	1.0
99.00814	10.1
99.04459	9.7
101.02373	1.1
101.06007	1.2
107.04960	7.9
109.02884	10.9
111.04443	37.5
112.04784	1.0
113.02367	1.5
113.05990	1.2
115.03927	2.4
115.05486	0.8
117.01842	2.2
119.04095	1.5
119.04946	26.0
121.02876	7.2
123.04460	1.2
124.07639	1.1
127.03915	30.2
129.05482	19.0
135.04410	1.4
139.03900	20.8
145.02937	1.0
145.04950	19.4
145.06184	1.1
145.06606	0.8
147.04407	64.6
147.06392	1.6
148.04723	2.3
152.07123	0.9
157.04965	20.5
163.03925	7.8
165.05519	1.3
167.08606	0.7
175.06027	24.4
176.06381	1.2
178.08748	0.8
180.06606	1.2
193.07042	3.6
198.07643	0.9
199.04141	1.3
199.05992	7.6
212.08264	0.8
213.09087	16.4
219.08076	1.5
223.07529	1.2
225.03947	1.8
225.09319	0.8
237.09090	5.3
241.05116	1.1
243.05002	6.2
247.07491	1.7
247.09770	1.5
259.06015	1.1
261.06061	4.7
265.08698	3.9
273.06036	16.9
275.05493	5.1
283.09781	0.7
291.07010	1.1
291.08856	1.4
293.08298	4.3
309.09683	8.6
310.10352	0.9
311.09100	3.2
325.09360	1.0
335.07758	0.8
351.07013	0.9
355.10339	0.8
369.08032	0.8
373.11295	30.2
374.11673	1.7
387.09021	3.2
388.10132	0.7
405.10297	17.9
406.10565	0.9
411.14026	0.7
437.11386	1.3
455.13287	7.3
475.08322	0.8
485.14325	1.6
513.15210	0.8
585.19653	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	782.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.0
55.05516	21.6
57.03441	4.1
61.02932	0.8
62.41761	0.6
65.03948	3.3
67.05509	4.8
69.03432	24.2
70.06590	0.6
70.60389	1.0
71.01367	1.2
71.04987	4.1
73.02906	1.2
77.49483	0.6
79.05489	0.9
80.05032	0.6
81.03420	8.8
83.04985	100.0
84.05317	1.5
85.02910	23.7
87.04508	0.8
87.97871	0.6
89.03951	0.6
91.05488	10.6
91.81893	0.5
93.03410	5.9
93.07044	0.5
95.04965	6.6
97.02898	13.3
97.06533	0.8
98.03253	0.6
98.06077	0.9
99.00806	8.1
99.04465	5.9
101.02342	0.9
101.06032	1.0
107.04958	6.6
107.37296	0.5
109.02871	6.1
111.04450	25.2
113.02370	1.6
113.05983	0.6
115.03938	1.9
117.01891	1.5
119.04947	21.1
120.05254	0.8
121.02868	4.1
126.26020	0.5
127.03927	15.5
129.05484	10.9
131.04919	0.7
135.04436	1.3
137.02333	0.9
139.03905	14.1
145.02951	0.9
145.04953	12.0
145.06207	0.7
145.06601	0.6
147.04417	53.9
147.06390	1.3
148.04768	2.0
157.04980	13.2
163.03899	6.9
165.05519	1.4
167.08644	0.9
171.04453	0.7
175.06030	12.3
175.07431	1.0
176.06332	0.7
180.06601	0.8
183.07948	0.7
186.67863	0.6
191.08606	0.9
192.02048	0.6
193.07098	2.2
195.08083	0.9
199.03929	1.9
199.05974	1.6
209.04510	0.7
209.09720	0.7
212.08398	0.6
213.05585	0.8
213.09114	10.8
214.09521	0.7
219.08115	0.9
225.04097	1.3
225.09142	0.6
227.05687	0.7
237.09206	3.4
239.88316	0.7
243.05019	3.1
245.04446	0.7
247.07631	0.9
247.09740	6.5
253.07092	0.8
259.06119	1.2
261.06125	2.5
265.08478	2.9
273.06070	13.1
275.05548	8.7
283.09833	0.7
291.07071	4.5
293.08005	2.2
309.09763	1.2
311.09210	2.4
329.73425	0.7
339.10886	0.7
355.10352	1.3
373.11313	49.3
374.11627	2.5
387.09204	2.6
393.13412	1.0
405.10284	10.3
411.14532	0.9
437.11050	2.4
455.13486	3.4
471.87088	0.7
485.13910	1.2
585.19641	1.0
586.20862	0.6
645.51111	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.4348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	8.6
55.05508	15.7
56.05827	0.5
57.03435	14.8
57.07073	30.6
58.06598	7.1
58.07397	0.6
59.04994	2.5
59.07376	2.4
60.06844	0.5
60.08157	3.0
65.03913	0.5
67.05502	16.2
68.05827	0.6
69.03432	2.7
69.07061	8.8
71.01344	1.0
71.05000	3.3
71.08245	1.0
71.08626	19.9
72.12648	0.5
73.02893	1.9
73.69803	0.4
74.40873	0.5
75.04456	1.0
79.05490	14.6
79.13607	0.4
81.03411	9.9
81.07050	21.4
82.07382	0.8
83.01332	6.3
83.04972	8.9
83.08612	14.7
84.08095	0.5
85.02898	4.2
85.06524	0.9
85.09651	0.5
85.10177	10.7
86.09692	4.3
86.10474	0.4
87.04464	0.8
89.06007	1.3
89.46180	0.4
91.05474	9.9
93.07037	19.5
95.04956	5.5
95.08601	18.8
96.08913	0.8
97.02895	2.2
97.06512	3.8
97.10162	4.7
98.98438	0.6
99.04453	3.2
99.08089	0.5
100.96539	0.5
103.03929	0.6
103.07553	1.1
105.07022	7.6
105.77608	0.4
107.04951	6.0
107.08584	8.7
109.02869	4.9
109.06519	5.6
109.10149	8.0
110.03632	2.0
111.04433	4.0
111.08068	1.5
111.11705	0.8
113.05986	0.5
117.07010	5.4
119.08580	5.9
121.06489	2.2
121.10130	5.0
123.08064	5.4
123.11676	2.4
124.99982	3.8
125.05974	1.5
125.09647	1.0
127.03889	1.8
129.06978	1.0
130.07805	0.9
131.08582	2.8
132.99525	1.2
133.10109	1.1
135.08051	1.1
135.11685	7.7
137.09610	1.2
137.13234	0.9
141.14771	0.5
143.08591	0.6
144.10188	2.6
145.06465	0.7
145.10112	9.0
147.08020	1.3
153.12708	2.0
155.08566	1.1
162.11247	1.5
163.11168	16.7
164.11511	0.7
173.09627	2.8
181.12216	2.2
184.07332	15.1
191.00092	2.1
191.10696	2.4
209.01115	0.9
209.11705	6.7
227.12750	5.3
235.22932	0.5
236.14890	14.6
237.15178	0.9
239.23705	3.8
257.24722	2.4
283.15372	100.0
284.15701	4.8
312.55414	0.5
313.27328	76.5
314.27725	4.3
331.28323	1.2
347.32553	0.4
366.54437	0.5
435.12903	0.7
456.36783	0.8
465.25366	0.9
474.37656	1.5
509.16846	5.1
521.38330	46.0
522.38708	6.0
539.28546	4.0
540.29144	0.6
585.43390	0.5
668.50580	0.5
684.50403	0.5
712.12842	0.6
746.55035	1.9
747.56384	0.5
764.56653	4.4
782.57581	7.8
783.45941	1.1
783.58472	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39083	0.5
55.01871	7.8
55.05511	17.7
55.05766	0.8
55.72766	0.5
56.96496	0.5
57.03439	17.6
57.07076	37.6
58.06599	12.2
58.07385	0.6
59.04997	2.8
59.07386	2.7
60.08164	3.6
65.03916	0.6
67.05505	19.0
69.00054	5.5
69.03435	3.6
69.07073	10.7
69.23370	0.5
71.01322	1.6
71.04997	3.6
71.08628	24.6
73.02918	3.2
75.04446	1.5
76.66673	0.6
79.05489	18.5
81.03416	9.8
81.07051	25.7
82.07355	0.6
83.00893	0.8
83.01337	8.2
83.04980	9.9
83.08619	17.8
84.08107	0.6
85.02903	4.2
85.06501	1.6
85.10178	14.8
86.09703	3.7
87.04433	1.0
88.12005	0.5
89.06020	1.3
91.05469	10.8
93.07037	19.3
95.04966	5.1
95.08607	24.3
97.02847	2.5
97.06539	3.4
97.10164	4.6
99.04447	4.3
99.08084	0.9
103.07545	1.6
103.35849	0.7
105.07024	7.1
107.04962	7.1
107.07988	0.6
107.08598	9.7
109.02864	5.7
109.06505	5.2
109.10153	8.7
110.03626	2.4
111.04432	5.0
111.08030	2.1
111.11679	0.9
113.05964	0.7
117.07019	5.4
119.08578	7.2
121.06496	3.4
121.10146	5.4
123.04478	0.8
123.08064	6.8
123.11709	3.0
124.99960	2.2
125.05964	1.2
125.09588	1.2
127.03876	2.0
128.06212	0.7
129.06973	2.1
130.07791	0.6
131.08534	2.2
132.99532	0.9
133.10089	1.9
135.08008	1.5
135.11679	9.6
137.09618	0.9
137.13220	1.5
139.07500	1.0
141.84471	0.6
143.08459	0.7
144.10229	4.0
145.06456	0.7
145.09016	0.8
145.10110	12.7
146.10390	0.6
147.07996	1.1
149.09596	1.0
153.12703	2.4
155.08525	1.2
162.11189	1.6
163.11174	21.5
164.11488	1.0
173.09593	2.2
181.12228	2.6
184.07355	9.0
191.00034	2.7
191.10608	2.5
191.90742	0.5
209.01176	0.7
209.11725	7.4
210.11948	0.6
227.12807	8.7
236.14903	24.7
237.15273	2.5
238.15312	0.8
239.23654	5.4
257.24716	1.8
281.16080	0.7
283.15387	100.0
284.15741	5.1
294.73721	0.5
313.27341	90.2
314.27698	7.1
336.03833	0.6
456.36661	1.5
465.25174	2.0
474.37729	4.1
475.38495	0.9
509.16873	4.7
521.38361	74.9
522.38702	9.4
539.28845	5.8
540.29395	0.8
540.39459	0.7
544.35577	0.6
662.06665	0.6
668.51031	1.7
728.54663	0.9
746.55591	5.0
763.55316	0.7
764.56543	5.1
781.55701	1.4
782.57794	9.1
783.46167	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	782.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	8.2
55.05515	16.0
55.60598	0.6
57.03441	16.3
57.07079	38.8
57.83928	0.6
58.06321	0.7
58.06600	10.6
58.07399	0.7
59.04982	2.4
59.07378	2.6
60.08169	3.6
65.03929	0.9
67.05505	19.6
69.03424	4.1
69.07065	9.7
71.01353	1.3
71.05005	3.2
71.05329	0.6
71.08241	1.2
71.08630	24.0
73.02907	2.4
75.04449	1.8
75.49774	0.7
79.05493	15.5
81.03417	10.7
81.06592	1.2
81.07060	25.6
82.07381	1.2
83.01339	6.8
83.04975	11.2
83.08150	1.4
83.08621	20.2
85.02917	6.5
85.06529	2.0
85.10187	16.1
86.09682	2.2
87.04437	1.1
87.23657	0.7
89.06015	1.2
91.05486	11.6
93.06476	1.1
93.07042	18.9
94.07394	1.1
95.04967	4.9
95.08605	24.7
97.02905	4.0
97.06519	4.5
97.10172	6.5
99.04450	4.5
99.08149	0.9
99.11736	1.0
103.07546	1.1
105.07035	7.2
107.04946	6.5
107.08605	9.4
107.36180	0.7
109.02891	5.2
109.06512	5.5
109.10157	8.7
110.03653	2.0
111.04449	6.7
111.08086	1.9
111.11698	0.9
117.07012	7.1
119.08585	8.1
121.06492	2.2
121.10136	6.8
123.08047	7.6
123.11696	4.1
124.99985	1.5
125.05959	1.8
125.09610	1.4
127.03899	2.4
129.06979	1.1
130.07768	1.3
131.08568	3.0
133.10107	2.2
135.08020	1.4
135.11694	11.3
137.09615	1.5
137.13269	1.1
139.07484	1.0
139.11168	1.0
143.08540	0.9
144.10207	3.8
145.10114	13.4
147.06673	0.6
147.08028	2.1
149.09648	1.1
153.12683	1.4
155.08528	1.5
162.11252	1.9
163.11185	19.2
164.11497	1.1
173.09627	2.8
181.12184	3.4
184.07312	6.8
191.00084	2.6
191.10638	4.3
209.01140	1.1
209.11705	9.3
218.13797	0.7
221.22691	0.8
227.12794	7.9
229.20851	0.9
236.14911	25.7
236.17322	1.3
237.15210	1.5
239.23686	6.0
257.24716	2.7
283.15399	100.0
284.15729	4.9
313.27353	90.9
314.27652	6.9
335.25665	0.7
340.67337	0.8
435.12939	0.9
456.36725	1.9
465.25070	3.0
474.37888	2.7
475.38205	1.0
479.48798	0.8
509.16776	4.1
521.38373	73.3
522.38702	13.6
524.28137	0.8
539.28760	5.0
549.88959	0.7
625.75317	0.8
654.48462	0.8
666.49414	1.0
746.55481	4.6
763.55780	0.7
764.56628	7.4
765.55847	0.8
772.66577	0.8
782.44604	0.9
782.58429	7.6
783.47577	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.5769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.7
55.05517	6.8
56.05038	1.4
57.03437	8.4
57.07075	9.3
58.06599	65.6
58.24262	1.1
59.07378	29.0
59.07668	1.9
60.08160	17.9
67.05511	8.5
69.03439	1.8
69.07059	6.4
69.08385	8.9
71.07375	1.9
71.08637	6.5
73.02919	2.0
75.04476	4.2
79.05497	6.0
81.03419	1.8
81.07050	7.0
83.04976	1.6
83.08633	4.1
83.50352	1.2
84.08150	4.5
84.70404	1.1
85.02923	5.0
85.10167	2.1
86.09711	17.0
87.04487	4.3
90.36657	1.1
91.05486	3.3
93.07059	4.7
95.04952	1.5
95.08607	6.8
97.06548	2.0
97.10175	1.5
102.05534	8.6
104.10743	1.5
105.07023	2.7
107.04986	2.0
107.08611	2.0
109.10168	3.7
109.68350	1.2
113.06017	3.4
117.07066	2.1
117.07893	4.9
119.08604	2.1
121.06518	1.3
121.10098	1.8
123.08041	1.3
125.00042	11.4
129.05464	1.6
130.08665	2.3
131.07088	2.3
135.11641	1.2
144.10197	30.2
160.09721	2.9
162.11267	26.2
163.11194	1.2
184.07343	46.5
190.56564	1.1
200.01857	1.3
200.12823	2.4
202.14391	1.5
205.12245	2.1
218.13896	19.4
228.40625	1.2
233.75935	1.2
236.14920	100.0
237.15285	4.3
260.14871	9.6
272.14999	1.4
278.15933	4.1
283.15399	7.9
290.16022	9.3
304.17648	1.3
313.27380	8.6
318.19000	1.3
332.17239	7.3
344.24359	2.2
351.15201	2.9
372.23831	2.1
374.21616	1.5
388.22931	2.2
390.24814	3.5
410.88217	1.4
416.26208	1.8
429.26086	1.2
456.36813	12.7
457.36594	2.2
458.31448	1.6
472.36417	1.4
474.37921	25.3
475.38458	2.9
521.38391	5.3
528.39124	7.2
542.40204	2.6
547.36890	2.1
556.42853	1.4
591.42444	4.2
598.47028	1.2
628.47742	19.1
659.48022	2.9
668.50299	1.8
678.49243	5.3
681.10480	1.3
696.50055	6.0
746.54944	5.0
748.57184	14.7
764.56677	10.5
765.56854	2.0
782.57758	28.9
783.57935	2.6
813.75024	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.5765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.1
55.05499	4.6
56.05034	1.4
57.03442	6.9
57.07074	7.9
57.07310	1.3
58.06601	61.1
59.04988	1.6
59.07383	21.5
60.08166	14.2
67.05496	8.2
69.03415	1.4
69.07066	3.4
69.09138	10.4
71.07362	2.0
71.08626	6.5
73.02908	1.4
75.04475	3.8
79.05492	2.9
81.03393	1.4
81.07054	5.3
83.08619	2.3
84.08133	4.1
85.02891	2.6
85.10178	4.8
86.09696	14.8
87.04468	5.4
91.05480	3.1
93.07042	4.2
95.08601	5.2
95.58707	1.1
97.06537	3.1
97.10165	1.5
98.23386	3.0
100.11255	1.6
102.05571	7.2
104.10693	1.2
105.07068	1.8
107.04951	5.5
107.08617	2.8
109.10165	3.7
113.05993	1.5
117.07119	2.0
117.07833	6.0
124.99999	8.8
131.06993	1.2
134.48805	1.4
134.79002	1.4
135.11708	1.9
142.16557	1.4
144.10187	28.6
149.09586	1.7
156.13829	1.8
160.09695	1.7
162.11264	26.3
163.11267	2.1
184.07338	44.3
184.08946	2.6
200.12897	3.1
202.14423	2.5
203.47864	1.3
205.12256	3.1
218.13887	18.6
234.13371	1.5
236.14922	100.0
237.15269	4.6
260.14911	8.9
272.15021	3.3
274.16501	2.1
278.15976	3.6
283.15320	6.7
290.15997	10.9
313.27377	9.2
332.16983	9.7
341.30362	1.2
344.24203	1.9
346.18396	1.5
371.78510	1.5
372.23749	2.4
374.21802	1.3
388.23297	1.8
390.24796	4.7
407.50897	1.6
416.26239	2.6
456.36777	17.5
458.30856	1.7
474.37875	28.4
475.38016	1.8
521.38367	4.0
528.38977	7.5
529.39465	1.6
542.40222	2.3
556.41907	2.5
591.42242	4.3
628.47845	24.5
629.48944	3.0
658.49335	1.7
659.49054	2.5
668.50366	2.6
678.48987	5.7
696.50183	4.2
746.55774	5.9
748.56940	14.1
749.57422	2.7
764.56360	10.1
765.55823	1.5
782.57617	25.8
783.57379	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	784.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.4
57.03438	1.5
61.02934	0.2
65.03922	0.9
69.03428	10.6
70.03676	0.3
71.01343	0.8
71.04981	1.9
73.02906	0.8
81.03418	4.7
83.01310	0.3
83.04990	0.9
85.02903	7.1
87.04442	0.2
91.05478	8.3
92.05785	0.4
95.04953	0.4
96.04482	0.2
97.02888	8.1
99.00806	0.6
99.04449	3.4
101.02381	0.5
107.04952	1.0
109.02882	3.4
111.04433	0.4
113.06015	0.2
114.05407	0.2
115.03893	0.8
117.01973	0.2
119.04935	20.1
120.05241	1.4
121.02912	0.2
123.04427	1.0
124.07564	0.5
127.03908	8.4
128.04256	0.3
135.04399	0.4
135.08070	0.2
145.04953	5.8
145.06122	0.3
147.04399	100.0
148.04732	6.7
149.04987	1.3
151.03867	0.2
156.55653	0.2
159.04333	0.2
163.03891	1.2
165.05501	1.5
171.04411	0.2
179.03293	0.2
182.08113	0.3
200.09204	0.5
211.07765	0.3
212.08414	0.2
213.09149	1.7
225.03769	0.2
235.07719	0.2
237.09117	0.8
243.04997	1.7
245.16119	0.2
247.07491	0.2
247.09711	0.8
248.10001	0.3
249.10255	0.2
261.06076	0.7
265.08630	0.8
273.07684	0.3
279.06561	0.3
291.08615	3.1
292.08875	0.2
293.08023	1.0
309.09662	17.5
310.10013	1.5
311.09399	0.3
325.09113	0.2
365.24039	0.2
369.07974	0.2
375.83490	0.2
387.09250	1.0
405.10217	3.7
406.10690	0.3
407.13147	0.3
423.11786	0.3
455.13309	2.9
501.12061	0.2
581.15973	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
55.05509	0.2
57.03437	1.3
61.02934	0.3
65.03934	1.0
67.05502	0.2
69.03429	7.7
70.03741	0.2
70.91199	0.3
71.01356	0.4
71.04998	1.9
73.02908	0.6
73.61739	0.2
80.05036	0.2
81.03416	3.6
83.01351	0.3
83.04996	1.0
83.83427	0.2
85.02902	6.6
87.04478	0.3
91.04901	0.4
91.05477	8.1
91.79883	0.2
92.05801	0.2
94.06586	0.2
95.04954	0.4
96.04477	0.5
97.02888	7.9
99.00805	0.5
99.04449	2.4
100.59019	0.2
101.02372	0.4
102.34251	0.2
107.04942	0.6
109.02888	1.8
111.04459	0.2
114.05486	0.2
115.03930	0.5
119.04942	19.2
120.05267	0.6
121.02871	0.3
123.04399	0.9
124.07652	0.3
127.03909	5.7
131.37659	0.2
135.04396	0.3
135.09167	0.2
139.03850	0.2
145.03882	0.2
145.04968	4.2
145.06180	0.2
147.04404	100.0
148.04726	3.7
163.03912	1.2
165.05489	1.8
171.25055	0.2
182.08061	0.4
182.84772	0.2
185.06044	0.2
200.09142	0.3
213.05635	0.2
213.09067	0.9
237.09090	0.6
237.11301	0.2
243.04871	0.9
249.07411	0.2
259.05951	0.3
259.56580	0.2
261.06046	0.5
265.08633	0.5
267.08862	0.2
273.07379	0.2
277.07178	0.3
279.06503	0.2
291.08624	3.1
292.08942	0.3
293.08105	0.6
309.09671	13.7
310.09894	0.8
311.09146	0.4
364.36523	0.2
369.08224	0.2
387.09290	0.8
405.10513	1.9
421.11313	0.4
423.11194	0.2
439.23856	0.2
455.13382	2.4
456.13214	0.3
483.11249	0.3
784.36499	0.4
802.12787	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	8.3
55.05514	34.9
57.03427	10.9
59.05012	1.9
60.08162	5.0
65.03936	6.0
67.05179	3.9
67.05509	50.4
69.03430	13.4
69.07073	23.9
71.05007	5.3
71.28842	3.2
73.02891	2.2
77.49702	2.1
79.05494	44.4
81.03423	19.7
81.07059	35.2
83.04981	11.8
83.08629	11.7
85.02920	4.1
85.06552	4.9
86.09717	23.0
91.05485	37.8
93.07046	34.9
95.04974	21.1
95.08617	19.3
97.02897	9.8
97.06536	7.6
97.10162	18.5
98.98449	4.6
103.05453	2.7
105.07034	25.7
107.04951	14.2
107.08601	26.0
109.02882	2.1
109.06529	7.0
109.10164	19.8
111.08083	5.6
117.07015	16.0
119.08592	16.4
121.06480	11.2
121.10169	9.1
123.04498	2.2
123.08083	7.5
124.99992	14.8
125.09605	16.2
129.06990	5.7
131.08574	15.5
133.06508	7.9
133.10164	13.8
135.08041	8.1
135.11740	3.5
141.06966	2.7
143.08531	4.2
144.09406	1.9
145.10109	11.6
147.08028	6.1
147.11714	6.5
149.09660	4.1
149.13232	4.5
151.11218	4.4
153.09120	2.5
157.10143	5.6
159.08049	2.6
159.11722	13.0
161.09631	4.5
161.13251	3.4
163.11259	3.6
169.10115	3.3
171.11720	2.9
173.11716	3.0
177.12874	3.3
184.07350	68.7
184.08931	4.5
187.11203	4.6
189.11292	10.6
205.12247	8.3
223.13283	57.8
224.13788	2.9
227.12846	12.0
229.14360	3.3
236.14911	2.3
249.14894	3.8
253.14383	7.1
255.17271	2.6
273.18533	13.8
274.18918	2.7
275.19986	2.8
279.15878	4.2
283.15417	4.0
291.19565	100.0
292.19864	6.9
297.16956	43.2
365.23190	30.9
475.29459	2.3
519.32880	6.8
569.34528	3.9
587.35852	53.3
588.35614	7.6
711.08130	2.3
745.63483	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	784.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	0.6
68.05041	0.2
69.07066	0.8
70.06576	0.2
70.56423	0.2
70.56777	0.2
71.08632	1.5
71.34338	0.1
74.68163	0.1
79.05488	0.2
81.07058	0.5
84.08147	0.2
86.09705	100.0
87.10033	1.7
91.05495	0.6
93.07039	0.4
94.46535	0.1
95.08608	0.3
98.09679	1.6
103.05460	1.1
105.07014	1.5
110.09667	0.2
112.11246	7.0
113.11631	0.2
114.09180	0.1
117.07027	0.2
118.06555	0.2
120.08103	42.7
121.08437	0.9
124.11213	0.2
129.06992	0.2
132.08122	0.3
133.27673	0.2
146.09648	2.0
154.15906	18.6
155.16284	0.7
157.13364	11.3
158.13741	0.3
166.15851	0.2
167.11810	0.2
181.17035	0.4
182.15334	0.2
183.18666	0.2
184.07272	0.2
185.12851	13.2
186.13210	0.5
188.14343	6.7
189.14645	0.4
191.11745	0.8
195.11469	0.2
199.18054	16.1
200.18388	0.4
209.16515	0.8
213.12376	0.1
219.11223	1.0
225.19612	7.1
225.21857	0.3
226.19867	0.2
227.17543	12.1
228.17841	0.5
233.16486	15.3
234.16890	0.8
235.17976	0.3
236.15060	0.2
237.15988	0.2
242.72247	0.2
243.14830	0.3
253.19099	6.9
254.19475	0.4
255.17023	0.2
259.18069	2.2
261.15985	13.7
262.16309	0.8
263.17496	0.2
267.24301	7.5
268.24496	0.5
271.14230	0.2
277.22772	0.5
280.20084	0.4
281.18561	0.2
287.17532	2.7
295.23807	4.1
296.23834	0.2
298.21246	7.9
299.21625	0.4
301.22745	7.2
301.26266	0.2
302.22894	0.6
311.21112	0.4
322.24936	0.4
323.23041	0.2
329.22220	4.4
330.22406	0.5
332.19681	5.0
333.19711	0.3
340.25931	3.0
356.23279	0.6
366.27518	2.3
367.27728	0.2
368.24777	0.1
374.19803	0.3
374.24371	4.4
375.24802	0.2
383.30124	1.6
384.22726	0.3
400.21072	0.3
400.25977	2.7
401.26334	0.2
402.23694	0.3
408.32260	0.9
411.29648	4.3
412.29874	0.4
417.28571	1.4
421.28448	0.2
425.34671	0.3
439.29041	0.2
442.30652	1.9
445.28143	4.2
446.27817	0.2
451.36252	0.3
453.34436	0.8
455.26550	0.3
459.33337	1.1
473.27048	0.2
479.35953	2.1
480.35938	0.2
485.34528	0.3
487.32816	2.3
488.33002	0.3
496.38351	1.2
497.31540	0.2
513.27399	0.2
513.34424	4.0
514.34387	0.4
524.38068	3.7
525.38196	0.3
527.39545	0.4
530.36926	2.6
534.36951	0.2
555.39032	1.8
558.36475	8.4
559.36719	0.9
563.05591	0.2
568.34442	0.4
572.41064	0.5
586.35980	0.3
592.44354	1.1
598.43231	0.4
600.41095	1.0
609.46240	0.6
626.42725	5.7
627.42719	0.8
637.46252	1.7
638.46960	0.3
643.45367	4.0
644.45050	0.5
651.42078	0.2
653.43774	0.8
668.47485	0.7
671.44867	11.2
672.45087	1.3
685.49988	0.3
713.48944	0.5
739.51294	2.1
740.50574	0.5
756.53821	4.7
757.53229	0.6
766.52368	1.4
767.53040	0.2
784.53284	4.5
785.53687	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.5932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01834	1.0
55.05513	3.3
55.28305	0.3
56.05019	0.5
57.03442	6.4
57.07080	7.1
58.06604	36.5
58.07003	1.1
59.07385	9.9
60.08169	9.9
60.08447	0.6
65.03918	0.4
67.05505	6.1
69.03401	0.7
69.07074	2.8
71.04951	0.6
71.08631	4.9
72.57370	0.3
73.02874	1.1
73.32415	0.4
75.04486	2.8
79.05497	4.0
81.03423	3.3
81.07064	5.7
82.07320	0.3
83.04968	1.8
83.08620	2.6
84.08141	1.4
85.02911	4.3
85.10197	2.7
86.09665	0.8
87.04477	4.1
91.05492	3.4
91.66080	0.3
93.07050	2.8
95.04943	1.4
95.08079	0.3
95.08611	4.7
97.02852	0.4
97.06498	0.8
97.10118	1.2
100.11228	0.7
102.05531	0.9
103.03922	0.6
105.05521	0.6
105.07043	2.2
107.04907	0.8
107.08595	1.6
109.02864	0.4
109.06498	0.5
109.10172	2.3
111.04465	0.4
111.08053	0.7
113.06010	1.4
116.10727	0.5
117.06977	1.1
117.07796	0.3
119.08591	1.7
121.10117	0.7
123.11719	0.6
124.99981	0.3
127.03831	0.3
129.06970	0.8
131.07057	1.5
131.08543	0.9
133.10100	0.7
135.11705	0.4
144.10204	17.6
145.10168	0.9
147.11682	0.8
149.09589	0.4
157.10094	0.8
158.15358	0.4
159.06548	0.4
162.09938	0.4
162.11264	6.1
163.11285	0.5
175.11142	0.8
184.07326	1.3
193.12236	1.5
200.12773	0.7
211.13263	2.9
218.13843	1.5
227.34459	0.4
236.14931	100.0
237.15276	4.0
267.15952	1.4
283.15408	1.4
284.15741	0.8
285.16959	2.9
290.16025	0.5
313.27380	6.5
314.27725	1.6
315.28064	0.5
369.30063	0.8
372.23975	1.0
390.25204	1.7
412.38129	1.0
430.28098	0.8
456.36954	6.7
474.37936	15.4
475.38354	1.8
492.33362	1.4
505.38904	1.4
510.34216	2.6
521.38873	0.5
522.39081	0.7
523.39868	5.5
524.40149	1.1
528.35370	0.8
628.47784	14.4
629.47852	2.4
668.50970	9.3
669.52313	1.4
708.53461	1.6
709.54657	0.4
728.80090	0.3
730.56122	7.9
731.56317	1.5
748.57147	32.7
749.57581	5.6
766.58252	19.7
767.58484	4.3
784.59375	10.6
785.60181	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.5924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
55.05510	3.5
57.03436	6.2
57.07074	8.3
58.06600	33.5
58.07010	1.0
59.04966	0.4
59.07381	9.6
60.08163	9.9
65.03896	0.5
67.05504	6.6
68.26083	0.3
69.03389	0.9
69.07071	3.6
70.06575	0.3
71.04954	0.8
71.08633	5.3
72.08939	0.4
73.02875	0.6
75.04472	3.0
79.05489	4.6
81.03004	0.3
81.03416	4.0
81.07055	7.6
83.01295	0.3
83.04982	2.3
83.08618	3.5
84.08154	1.5
85.02443	0.3
85.02898	3.7
85.06532	0.4
85.09730	0.3
85.10174	2.9
86.09662	1.1
87.04008	0.3
87.04460	3.6
91.05481	4.2
92.05788	0.4
93.07043	3.3
94.07335	0.4
95.04958	1.8
95.08607	6.3
97.02869	0.6
97.06490	1.2
97.10194	1.7
99.08083	0.4
100.11238	0.7
101.05951	0.3
102.05504	0.9
103.03901	0.9
105.05486	0.8
105.07024	2.7
107.04896	1.0
107.08585	2.0
109.02863	0.5
109.06478	0.8
109.10169	2.6
111.04401	0.8
111.08049	0.7
113.06006	1.6
116.10749	0.3
117.07051	1.4
117.07791	0.5
119.08633	1.6
121.06432	0.4
121.10102	1.2
123.08017	0.8
123.11665	0.8
124.99971	0.3
125.09628	0.3
129.06963	0.9
129.64754	0.3
130.08603	0.6
131.07059	1.5
131.08514	1.2
133.10143	1.4
135.11641	1.0
136.11897	0.3
137.13187	0.4
144.10194	16.3
145.10143	1.1
147.11694	1.5
149.09631	0.6
157.10072	1.2
159.06491	0.4
162.11243	5.4
163.11221	0.9
175.11148	1.3
180.63821	0.3
184.07387	1.4
185.08514	0.3
191.10522	0.3
193.12233	2.2
200.12840	1.0
209.11861	0.3
211.13301	2.9
218.13898	1.7
222.13435	0.4
227.12805	0.5
228.79015	0.4
236.14915	100.0
237.15254	3.5
239.23669	0.6
267.16006	1.4
283.15445	2.6
284.15659	1.5
285.16809	2.3
290.16025	0.4
302.05826	0.3
313.27353	8.6
314.27679	2.2
315.28003	0.8
369.30017	0.6
380.45261	0.3
390.24982	1.0
412.26865	0.5
412.37988	0.9
430.28116	0.8
448.33759	0.3
452.30154	0.4
456.36835	7.4
457.37057	0.7
470.31210	0.4
474.37894	14.5
475.38177	1.1
492.33182	1.3
505.38773	1.5
510.34204	2.0
517.45306	0.3
521.38434	1.4
522.38910	0.6
523.39722	7.1
524.40186	1.0
528.35590	0.7
628.47772	7.7
629.48340	0.9
668.50970	8.9
669.51453	1.4
683.49774	0.7
708.53925	5.3
709.53888	0.6
730.56128	6.5
731.56512	1.2
748.57111	24.9
749.57593	4.2
765.73962	0.3
766.58179	19.2
767.58392	3.0
784.59296	12.2
785.46686	0.6
785.59595	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.5928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.2
55.05506	2.2
56.05024	0.4
57.03434	5.6
57.07075	6.2
58.06598	31.9
59.07380	9.5
60.08162	9.8
64.80645	0.3
65.44272	0.3
67.05506	4.8
68.99329	2.9
69.03434	0.7
69.07066	3.6
71.04974	0.5
71.07378	0.3
71.08630	3.6
73.02919	0.8
75.04478	2.9
79.05489	3.3
81.03412	1.9
81.06594	0.3
81.07057	5.9
81.08779	0.3
83.04975	1.2
83.08606	2.6
84.08138	1.1
85.02897	2.9
85.10184	2.8
86.09700	0.7
87.04462	3.2
91.05482	3.0
92.05802	0.3
93.05516	0.5
93.07053	2.7
95.04962	1.4
95.08596	3.9
97.02867	0.4
97.06524	1.0
97.10151	1.0
98.22641	0.7
99.08071	0.4
100.11256	1.0
102.05529	0.6
103.03940	0.4
105.05498	0.8
105.07039	1.7
107.04962	0.5
107.08596	1.7
109.02879	0.4
109.06466	0.6
109.10158	1.7
111.04427	0.8
111.08038	0.6
113.05983	1.3
117.07005	1.0
119.08596	1.5
121.10133	0.7
123.11691	1.0
125.00024	0.4
129.05489	0.3
129.06970	0.5
130.08632	0.9
131.07039	1.4
131.08540	1.1
133.10109	1.1
135.08040	0.4
135.11705	0.6
144.10188	16.1
145.10109	0.7
147.11699	0.8
155.08582	0.4
157.10104	0.6
162.11255	5.6
163.11160	0.7
164.11568	0.4
175.11282	0.4
184.07341	2.3
193.12149	1.7
200.12907	0.8
209.11577	0.3
211.13345	1.8
218.13861	1.8
236.14911	100.0
237.15260	3.5
239.23660	0.5
267.15918	1.4
283.15311	1.6
284.15573	0.6
285.17038	1.7
290.15836	0.4
313.27368	4.9
314.27707	1.4
366.72592	0.3
412.26907	1.4
412.37772	1.0
430.28214	1.6
456.36832	7.0
457.36942	0.5
474.37906	13.5
475.38089	1.0
492.33179	1.7
505.39001	0.9
510.16409	0.4
510.34225	2.8
521.38287	0.7
522.38464	0.6
523.39648	3.5
524.39661	0.6
528.35284	0.9
539.28491	0.5
553.25647	0.4
559.36743	0.4
590.92017	0.4
668.50867	18.8
669.51300	2.7
730.56049	7.4
731.55682	1.1
748.57098	25.5
749.57385	4.2
766.58173	19.1
767.58655	3.4
784.45728	0.4
784.59155	6.6
785.59399	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
55.05507	2.1
57.03444	2.0
61.02668	0.7
61.02921	4.2
65.75426	0.6
67.05521	4.2
69.03427	3.6
69.07069	1.5
69.45438	3.0
71.04989	0.6
71.08634	4.6
73.02928	3.5
79.05489	5.0
79.05838	0.5
81.03428	2.1
81.07055	3.7
82.43031	0.5
83.04997	1.8
83.08608	1.1
85.02896	4.1
86.09732	1.5
91.03984	2.1
91.05472	5.7
93.07044	5.5
95.04984	1.6
95.08609	3.2
97.02882	3.5
97.06552	1.2
99.04469	1.0
99.08095	1.7
101.02392	2.1
105.07021	4.4
107.04980	1.2
107.08604	1.9
109.06585	1.0
109.10182	0.8
110.18945	0.6
110.19730	0.7
115.03976	0.7
117.07059	2.8
119.08612	2.3
120.04150	0.7
121.10171	1.8
123.08079	1.0
127.03947	1.0
128.06274	0.8
129.07057	1.3
131.08598	2.3
133.10179	1.7
133.31689	0.6
135.08031	1.0
135.11653	1.7
141.05765	0.6
141.07030	1.3
143.08577	1.3
145.10149	3.6
147.11720	1.4
151.11227	1.5
156.93233	0.7
157.10107	0.8
163.11250	1.9
169.10201	0.8
184.07405	1.1
185.13332	1.0
187.11252	1.6
197.13402	0.7
227.64891	0.6
243.08493	2.6
249.11076	1.1
275.20120	1.5
341.21066	1.8
401.17502	0.7
467.18988	4.7
559.28650	8.4
560.29187	1.1
785.40759	100.0
786.41174	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	785.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06594	7.4
60.08157	5.4
61.26860	3.3
62.07135	3.7
67.05497	4.3
69.68384	12.2
69.68791	7.5
82.48209	3.6
83.08644	3.9
86.09711	6.4
125.00027	5.0
135.06769	3.8
143.71860	4.5
143.73070	3.5
184.07314	24.5
236.14989	18.9
374.11462	5.0
391.68384	4.4
767.57190	4.6
785.45935	100.0
785.59283	6.2
786.46411	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	786.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	21.7
55.05512	56.1
57.03439	30.3
57.07059	3.1
59.05006	4.6
60.05645	4.0
61.02930	3.9
65.03938	7.6
67.05507	60.9
69.03430	11.8
69.07069	27.9
71.01370	3.2
71.05003	13.2
71.28558	4.4
73.02903	3.9
79.05496	71.0
80.05831	3.4
81.03426	34.0
81.07058	57.4
83.01354	10.9
83.04977	25.1
83.08620	33.2
85.02922	14.7
85.06552	4.3
86.09692	3.0
91.05481	53.7
92.05827	2.3
93.07047	56.6
94.92825	2.4
95.01336	7.4
95.04971	30.2
95.08608	24.2
97.02900	8.6
97.06543	28.0
97.10162	25.1
99.04485	4.2
103.05451	3.8
105.07034	38.1
107.04948	40.2
107.08594	43.6
108.08869	2.1
108.28542	2.7
109.02888	9.1
109.06519	30.0
109.10162	14.2
111.04453	13.5
111.08095	8.0
112.48851	2.1
113.06036	5.1
115.05453	6.9
115.07578	8.3
117.07011	26.1
119.08593	33.7
121.02893	17.2
121.06499	33.8
121.10149	17.3
123.04446	7.2
123.08061	20.4
125.06029	6.3
125.09626	22.3
127.03924	4.7
128.06221	2.8
129.07004	12.6
130.07762	2.5
131.08543	21.2
133.06516	6.7
133.10146	9.9
135.08047	28.6
135.11676	20.7
137.06012	2.9
137.09639	9.3
139.07568	3.7
139.11206	3.0
141.07033	4.6
143.08595	7.3
145.06499	8.8
145.10124	28.6
146.10472	2.6
147.08064	10.5
147.11728	9.0
149.09650	8.7
149.13266	2.6
151.07523	2.4
151.11227	3.9
153.09142	5.1
155.08614	6.8
155.10765	2.4
157.10155	6.9
159.08051	53.0
159.11693	7.0
160.08501	3.6
161.09616	3.3
163.07564	18.2
163.11197	37.2
163.12476	2.7
169.10172	6.9
171.11766	3.1
173.08293	2.6
173.09595	14.7
175.11226	5.9
177.09152	5.3
177.12750	3.2
181.12276	5.6
183.11691	3.3
184.07347	6.7
185.09621	6.1
187.11191	3.5
189.09416	2.9
189.11263	13.0
189.12703	2.5
191.10703	6.7
191.14397	3.6
193.12291	9.9
199.11166	2.9
205.62563	2.3
209.11684	14.0
215.17862	2.5
219.11977	2.6
219.13815	14.0
221.11746	10.5
223.13353	2.9
225.12892	2.8
225.16362	3.3
227.12741	31.4
233.15373	13.3
237.14862	4.4
239.12833	3.1
241.14290	5.6
243.17424	4.1
247.13380	10.5
253.15880	8.0
261.18549	4.7
267.16016	4.9
271.16971	27.3
279.16089	4.9
283.15393	100.0
284.15787	5.1
287.16010	2.8
289.17993	82.0
290.18283	5.3
293.17484	6.2
295.15491	3.4
307.19016	27.6
313.16483	7.5
326.89694	2.6
345.20691	5.0
363.21698	26.0
381.22910	16.9
453.24564	5.4
475.26981	3.8
503.26382	4.5
505.28043	2.9
521.27570	10.6
529.28241	2.5
571.32568	39.8
572.33179	4.7
589.33661	49.9
590.34131	5.0
607.34467	5.8
694.98352	2.4
786.41217	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	786.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01636	0.8
55.01875	9.5
55.05512	20.3
56.45351	0.7
57.03159	0.9
57.03437	12.9
57.07076	0.8
59.04999	3.4
61.02917	2.0
64.28349	0.6
65.03934	1.4
67.05505	16.6
69.03419	2.7
69.07069	4.6
71.01345	1.4
71.04989	4.0
73.02954	0.7
79.05494	27.2
79.38068	0.7
81.03418	13.4
81.07058	23.3
83.01344	9.7
83.04980	16.5
83.08618	13.3
84.02136	0.8
85.02902	5.4
85.06561	1.7
91.03973	0.7
91.05479	17.9
92.05771	0.8
93.07041	28.0
95.04980	8.7
95.08611	9.9
96.64235	0.7
97.02888	3.9
97.06529	6.5
97.10171	5.5
98.22613	1.3
99.04463	3.0
105.07033	13.8
107.04945	10.3
107.08592	18.0
108.08883	0.8
109.02872	0.7
109.06516	10.4
109.10161	3.8
111.04456	6.4
111.08112	3.4
114.04524	0.7
115.05468	1.1
117.07018	10.6
119.08570	14.4
121.05773	0.7
121.06495	4.4
121.10143	10.0
123.04423	0.8
123.08068	10.4
125.05990	3.0
125.09630	5.4
127.03909	0.8
129.05368	0.7
129.06984	2.6
130.07745	1.9
131.04939	1.1
131.08549	7.2
133.06450	1.4
133.10156	3.1
135.08066	5.0
135.11688	14.0
137.09610	4.3
139.07550	1.2
143.08588	1.7
145.06459	2.1
145.10114	20.3
146.10457	1.0
147.08038	4.4
147.11682	1.3
149.06133	0.8
149.09613	2.1
153.09105	2.1
153.12735	4.6
155.08551	1.9
157.10071	1.1
159.08020	3.7
159.11766	0.9
161.09593	1.2
163.07520	1.2
163.11180	29.4
169.10161	0.8
173.09637	5.3
177.09167	0.9
181.12245	4.6
182.41225	0.7
184.07498	0.8
185.09729	0.8
189.11232	2.4
189.75290	0.7
191.10674	5.0
209.11705	10.9
210.12193	0.9
227.12735	10.5
233.15439	1.4
243.17496	1.0
253.15919	0.9
261.18478	0.8
265.14359	0.8
266.61954	0.8
271.16864	3.3
283.15393	100.0
284.15778	4.6
289.17966	13.9
307.19040	5.2
345.20865	0.9
363.21692	3.8
381.22714	15.5
453.25211	0.7
491.26389	63.8
492.26755	4.4
571.32629	5.7
589.33673	27.8
590.33704	2.9
786.40338	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	11.4
55.05511	45.7
57.03441	24.2
57.07080	5.7
58.06603	5.7
61.02919	11.1
65.03941	5.6
67.05503	99.3
68.05828	2.9
69.03429	18.5
69.07088	39.1
70.06586	4.2
71.01362	3.7
71.04989	15.1
71.08629	6.6
73.02905	4.3
75.04437	3.7
79.05494	89.3
80.05838	5.5
81.03418	32.7
81.07055	100.0
83.01337	5.4
83.04984	26.0
83.08610	26.6
85.02898	18.1
85.06536	4.0
86.09698	42.3
87.10036	7.6
91.03955	2.8
91.05478	89.1
92.05794	3.2
93.02557	2.5
93.06470	5.9
93.07043	92.8
94.07372	3.6
95.04971	32.2
95.08604	46.7
97.02895	18.6
97.06551	16.4
97.10172	11.2
98.23354	5.2
99.04443	6.4
99.08093	13.0
103.05477	3.2
105.04493	4.1
105.07028	74.3
106.07377	5.3
107.04937	23.9
107.08594	53.4
109.02869	3.7
109.06515	13.2
109.10153	32.3
110.10529	4.0
111.04430	4.7
111.08081	8.8
112.11195	2.9
115.05479	3.7
116.06178	3.1
117.07017	40.3
119.08582	51.2
120.08163	13.0
120.08904	3.2
121.06512	11.1
121.08454	4.2
121.10122	24.8
123.04446	3.1
123.08061	14.5
123.11669	7.2
125.06005	2.9
125.09592	12.9
127.03929	9.1
128.06229	7.0
129.05466	3.1
129.06995	19.4
131.08562	35.4
133.06461	3.5
133.10135	43.4
135.08061	10.1
135.11707	20.1
141.06979	10.0
142.07669	3.3
143.08521	18.0
145.06506	5.5
145.10138	31.3
147.11702	20.8
149.09628	16.9
149.13266	12.6
151.11177	6.4
153.09129	2.9
154.15904	4.9
155.08537	6.3
155.16324	2.9
157.10132	9.5
157.13402	3.5
159.11707	27.8
161.13268	11.0
163.11165	21.2
169.10175	7.8
171.11659	10.6
173.09644	5.7
173.13188	6.0
175.11232	4.2
175.14868	3.6
177.12782	10.3
179.14305	4.5
181.10176	3.2
183.11729	4.4
184.07307	20.8
185.13141	8.3
187.11147	7.9
187.14729	3.4
189.11247	6.1
191.10674	6.2
197.13289	3.8
199.14786	6.3
199.18008	4.1
205.12239	5.0
209.11673	5.0
223.13263	35.9
223.15070	3.7
224.13719	3.2
227.12825	13.3
229.14352	9.6
231.21109	2.9
236.14969	8.1
239.17865	5.0
241.19510	4.6
253.14275	6.0
254.14677	6.1
257.19095	9.4
259.20624	19.0
260.20941	2.7
269.17471	7.8
275.20004	25.3
281.17438	3.3
283.15417	49.3
284.15601	3.2
291.19489	3.5
293.21109	19.2
297.16907	31.4
322.94739	3.1
327.23203	4.0
332.19421	3.1
332.29599	3.2
333.24252	11.9
349.23737	23.1
350.24249	3.9
367.24432	5.5
387.19037	2.8
437.25079	3.9
446.28473	3.9
461.28506	3.6
463.26587	5.2
477.28333	30.1
491.29739	11.8
537.35327	3.8
555.36633	13.4
557.34595	26.6
575.36035	3.5
589.37128	17.7
624.44012	5.6
683.49213	5.3
786.40411	3.3
787.41565	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	786.499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.7
55.05515	18.5
57.03437	16.4
57.07078	6.1
58.61919	1.7
59.05001	2.3
60.08161	2.9
61.02922	4.3
65.03934	3.8
67.05505	100.0
69.01596	16.2
69.03407	4.9
69.07059	17.0
71.04966	2.7
73.02927	2.2
79.05497	47.1
81.03413	14.8
81.07056	52.9
83.04971	6.1
83.08626	9.4
85.02915	7.1
85.06550	2.9
86.09701	12.2
91.03976	1.8
91.05482	25.0
93.07042	40.7
95.04974	7.8
95.08604	34.7
95.09165	3.1
97.02904	4.2
97.06535	7.3
97.10157	4.6
97.11078	2.0
105.07021	19.6
105.07602	2.3
107.04979	9.9
107.08596	24.3
109.06524	8.0
109.10157	57.1
109.83588	1.8
111.04471	2.1
111.08098	5.8
113.61282	2.0
117.06994	14.1
119.08568	18.0
121.06507	7.5
121.10147	15.1
123.08079	3.6
123.11708	3.1
125.00005	8.1
125.09617	2.2
127.11205	2.1
129.07019	2.9
131.08559	13.3
133.10158	11.9
135.08057	3.0
135.11700	10.5
137.09628	5.0
139.11252	2.7
141.06996	2.8
143.08516	3.9
145.10098	10.3
147.11725	5.5
149.09634	3.0
149.13261	5.5
159.08119	2.1
159.11673	8.1
161.13261	4.0
163.07588	2.6
163.14905	1.9
169.10220	2.4
173.11760	15.8
173.13301	5.9
184.07353	35.6
187.14803	3.4
189.11247	2.8
205.12212	3.5
223.13286	9.5
227.12740	3.4
229.14348	62.6
230.14771	2.1
236.14955	6.3
237.15106	2.9
243.21211	4.1
261.22183	18.0
279.16000	2.4
297.16959	20.8
313.27548	2.2
317.24667	3.5
335.25806	76.9
336.26196	7.1
399.10217	2.0
411.48962	1.9
447.32776	2.1
489.35837	33.1
490.35953	2.6
539.37250	4.2
557.38184	10.8
558.38330	2.6
575.39734	3.5
611.27893	5.6
684.95056	2.0
786.51447	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.5272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.3
56.05022	0.7
57.03460	0.3
57.07069	1.0
58.06588	1.8
59.07392	0.4
60.08167	6.1
64.63448	0.2
66.23405	0.2
67.05493	1.8
69.07066	0.4
69.52694	0.8
69.53108	0.6
71.07372	3.1
71.08629	1.0
79.05515	0.4
81.03405	0.3
81.07042	0.7
85.10139	0.3
86.09707	25.5
87.10028	0.4
91.05479	0.3
93.07059	0.5
95.08595	0.7
98.98467	3.1
104.10730	2.8
109.02877	0.3
109.10162	1.4
125.00005	17.2
144.10208	0.8
173.11688	0.4
180.51361	0.3
184.07343	100.0
185.07713	1.4
236.14932	3.7
237.15199	0.3
254.69409	0.3
287.18625	0.4
307.68378	0.2
312.29852	0.2
313.27460	0.8
456.37207	0.4
467.37296	2.3
468.37424	0.5
474.37827	0.4
525.41528	0.7
557.38635	0.3
561.37457	0.4
668.50568	0.6
721.04822	0.3
750.58636	1.1
768.58514	0.9
786.52039	5.7
787.51697	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.6081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.5
56.05016	0.4
57.03431	4.3
57.06840	0.4
57.07078	4.4
58.06601	28.9
59.07386	8.7
60.07890	0.6
60.08165	7.5
61.19088	0.3
66.63722	0.3
67.05504	3.7
69.07050	1.6
71.08625	2.7
73.02920	0.6
75.04501	1.7
77.19810	0.3
79.05495	1.9
81.03442	0.5
81.07056	2.5
83.04986	0.5
83.08610	1.6
84.08125	1.2
85.02921	2.4
85.10175	1.6
85.30469	0.4
86.09698	0.9
87.04469	3.3
91.05470	1.1
93.07041	1.5
95.08586	2.5
96.33585	0.3
97.06512	0.4
97.10174	0.5
98.23372	0.8
99.08046	0.5
100.11253	0.5
102.05534	0.9
103.04009	0.6
105.05484	0.8
105.07011	0.7
107.08580	0.8
109.10148	1.3
113.05989	1.9
119.08591	0.5
121.10147	0.6
123.11674	0.4
129.07063	0.4
130.08644	0.6
131.07043	1.2
133.10139	0.5
144.10194	15.7
149.13333	0.4
151.04552	0.3
162.11261	4.7
172.64893	0.4
184.07333	1.8
192.24974	0.4
200.12851	1.0
218.13869	1.4
231.30104	0.4
236.14923	100.0
237.15253	3.8
268.78204	0.3
277.21341	0.4
313.27280	1.4
319.94543	0.4
351.80490	0.4
369.29782	0.5
372.23669	0.7
390.24969	1.0
412.26852	1.3
412.37946	1.3
430.28183	2.0
456.36816	8.9
457.37125	0.4
474.37875	16.3
475.38531	1.7
494.34726	1.8
495.35156	0.4
512.35962	3.6
530.36493	1.0
561.37622	2.8
594.39648	0.3
628.47858	8.5
629.47913	0.8
656.92804	0.4
668.50916	24.5
669.51343	2.6
732.45563	0.5
732.57599	8.1
733.57410	1.0
750.58722	36.5
751.59033	5.4
768.59778	23.6
768.73010	0.4
769.59961	3.1
786.47888	2.6
786.60284	8.2
787.60559	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.6084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.6
56.05040	0.4
57.03440	4.1
57.07081	4.3
58.06603	30.7
59.07381	7.9
60.08166	9.3
61.02916	0.3
61.68118	0.3
67.05508	4.5
68.97835	2.8
68.98246	0.5
69.07072	1.5
71.07368	0.8
71.08621	2.6
73.02908	0.9
75.04493	1.9
79.05489	1.5
81.03434	0.4
81.07048	3.3
83.04949	0.6
83.08621	0.9
84.08131	1.2
85.02928	1.7
85.10168	1.1
86.09715	5.9
87.04470	2.6
91.05471	1.2
93.07040	1.3
95.04991	0.3
95.08601	2.9
97.06532	0.4
97.10176	0.6
98.23379	0.5
98.98474	0.5
100.11274	0.7
101.06010	0.4
102.05549	0.9
103.03945	0.3
104.10778	0.6
105.05504	0.7
105.07025	1.1
107.08598	1.1
109.10184	2.2
110.02547	0.3
113.05989	1.0
116.10686	0.5
118.12315	0.3
119.08591	0.7
121.10092	0.5
123.11780	0.3
125.00009	3.3
126.44329	0.3
130.08618	0.8
131.07082	1.6
131.08563	0.4
133.10110	0.5
135.11818	0.4
144.10205	15.2
145.10306	0.4
151.93367	0.3
159.06526	0.4
162.11264	5.2
184.07350	20.5
185.07698	0.4
200.12814	1.2
218.13945	1.6
236.14931	100.0
237.15315	4.1
313.27356	0.9
341.06503	0.3
342.13190	0.3
369.30136	0.5
372.23718	0.9
382.58618	0.3
390.25076	2.2
412.26865	0.7
412.37848	1.0
430.27747	1.0
456.36823	6.9
457.37469	0.7
474.37885	16.4
475.38147	1.1
494.34744	2.1
512.35956	3.2
530.36749	0.6
561.37592	1.6
628.47809	21.4
629.48022	2.5
668.50983	16.9
669.50922	2.7
732.57751	9.0
733.57477	1.3
750.58759	37.8
751.59003	6.2
768.59802	20.8
768.74097	0.7
768.80493	0.5
769.60236	3.6
786.48108	4.7
786.60486	7.4
787.47949	0.6
787.60748	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.1
55.05508	2.7
57.03443	1.9
60.08164	0.7
61.02930	6.1
67.05505	8.3
69.03434	3.6
69.07072	2.1
71.01349	1.3
71.05000	1.4
71.08624	1.3
71.28636	0.6
73.02918	3.3
79.05495	8.2
81.03439	3.0
81.07063	7.5
83.04985	1.7
83.08628	1.0
85.02899	5.5
86.09724	2.5
91.03970	2.8
91.05486	8.3
93.07047	6.5
95.04959	1.4
95.08609	3.9
97.02908	4.1
97.06559	0.7
99.04448	1.1
101.02405	2.3
105.07035	5.8
107.04978	1.0
107.08604	3.7
109.02929	0.8
109.06544	1.2
109.10167	1.5
117.06997	3.8
119.08585	4.3
119.83067	0.7
121.10135	1.9
125.00040	1.8
127.03943	1.4
128.06294	0.6
129.05550	0.6
129.07031	2.6
131.08572	4.2
133.10178	2.0
135.08119	0.8
135.11743	1.5
141.06963	1.0
142.32260	0.6
143.08569	1.5
145.10117	3.1
147.11748	1.4
149.09639	0.8
155.08560	1.0
157.10129	1.1
159.11771	1.6
161.09612	0.8
161.13248	0.7
163.11261	1.8
169.10149	1.3
171.11694	1.2
175.14960	0.9
183.11787	0.6
184.07310	6.1
199.14864	0.9
241.19492	0.7
243.08450	1.9
263.06772	0.6
461.73343	0.7
467.18759	4.0
498.83813	0.6
513.35468	1.0
561.30408	7.8
562.30518	1.3
607.43640	1.8
625.44171	2.9
787.42242	100.0
788.42542	17.8
800.38049	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	19.2
55.05515	31.5
55.34628	2.7
57.03434	14.2
60.08164	3.8
64.48564	3.1
65.03946	6.0
67.05506	80.3
68.05854	3.7
69.03426	6.3
69.07070	36.2
71.04975	4.6
71.08598	3.8
76.45568	2.4
79.05495	70.2
80.05808	3.3
81.03414	14.9
81.07058	82.7
83.04969	9.4
83.08617	12.7
85.02885	6.3
85.06536	4.3
86.09689	11.4
91.05479	95.2
92.05835	3.8
93.07044	72.8
95.01329	7.8
95.04974	20.6
95.08607	57.9
97.02893	2.7
97.06538	31.3
97.10170	5.1
99.08084	4.3
105.07032	100.0
106.07336	4.4
107.04944	20.8
107.08589	29.0
109.02820	2.8
109.06510	9.1
109.10152	27.8
110.10511	3.7
111.08080	6.7
115.05437	4.2
117.07010	29.3
119.08585	68.3
120.08909	3.2
121.06497	5.3
121.10126	22.7
122.10461	3.3
123.04433	4.7
123.08041	5.4
123.11734	6.2
125.00001	9.1
125.09631	4.4
129.06992	8.9
131.08572	33.4
131.73001	3.1
133.10127	46.8
135.08064	7.7
135.11691	15.6
141.06949	4.5
142.07683	3.3
143.08548	11.9
144.10187	3.3
145.10124	32.6
146.10555	3.6
147.11687	29.8
149.02327	6.8
149.09587	9.2
149.13264	11.1
152.27644	3.0
157.10118	12.7
159.11725	19.9
161.13222	18.5
162.13602	3.1
163.11198	6.9
164.39568	3.2
169.10115	6.2
171.11720	9.1
173.11879	5.5
173.13292	11.3
175.14816	10.7
177.12762	4.7
179.14278	11.4
183.11743	5.4
184.07353	44.7
185.07722	4.3
185.13245	6.6
187.11124	4.8
193.01004	2.8
193.05060	5.2
197.13234	4.0
199.14813	4.6
201.94365	3.3
205.12204	3.1
209.13145	4.1
211.03818	2.8
213.16504	2.9
217.19524	4.4
223.13135	3.6
229.14346	17.8
230.14636	6.5
236.14998	3.5
239.17950	3.0
241.19562	19.3
257.19028	9.3
259.20551	23.3
261.22128	3.4
273.18475	8.7
275.20108	65.6
276.20508	4.6
279.15668	4.5
297.16879	5.5
298.17474	2.8
315.23114	12.3
333.24231	50.4
335.25900	17.7
336.26132	13.4
347.22272	5.4
349.23776	39.2
350.24030	3.7
351.72681	3.4
354.85922	3.5
369.93677	3.1
490.36450	5.5
580.96759	3.3
607.43542	47.2
608.43774	7.9
625.44434	10.6
675.79486	3.1
787.45667	5.2
788.35529	4.4
792.69794	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	788.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.1
55.05518	8.1
57.03445	4.5
59.21515	0.7
59.26832	0.8
61.02926	3.6
67.05499	2.9
68.99792	0.9
69.03084	1.3
69.03436	17.2
69.07069	4.8
69.10505	6.5
71.01360	27.4
71.05001	10.3
79.05496	3.3
81.03424	8.0
81.07078	0.9
83.01339	2.8
83.04985	55.3
84.05315	1.5
85.02909	100.0
85.06534	5.8
87.04468	2.7
91.05496	1.1
91.27817	0.8
95.01332	7.5
95.04984	5.1
97.02894	8.7
97.06554	5.0
99.04459	7.8
99.99692	0.9
101.06065	1.3
107.04980	1.8
109.02888	4.9
111.00814	3.8
111.04446	45.5
113.02367	7.8
113.06016	5.5
115.03965	1.1
117.01881	3.2
117.05517	1.4
119.04939	1.3
121.02888	1.4
121.06525	0.8
123.00809	2.8
123.04440	1.9
125.02352	2.2
125.06019	5.2
127.03918	29.8
129.01852	1.6
129.05486	16.2
135.04411	6.5
137.02336	1.9
137.06020	1.1
139.03876	2.0
141.01830	65.3
142.02153	1.6
143.07051	2.6
147.04370	1.2
149.05959	1.1
151.03958	1.1
153.05473	31.5
157.01340	8.1
157.04948	7.2
159.02972	1.1
163.03970	3.5
167.03419	2.8
171.06546	17.8
177.05490	1.5
179.03418	1.0
181.04962	7.0
183.02890	5.7
189.07599	10.8
195.06580	1.7
199.06090	1.3
201.02057	1.7
201.03949	21.9
205.05049	1.3
209.04495	2.5
213.07602	4.0
213.69562	1.1
215.05734	1.5
217.07076	2.7
221.42625	0.8
223.05998	5.2
225.03955	2.1
227.05421	2.5
231.08658	17.1
243.05118	1.5
251.05557	5.1
261.06067	43.6
269.06561	8.3
287.07574	1.5
307.22766	0.8
311.07562	4.3
329.08640	4.8
347.09735	2.7
371.10095	1.0
389.10672	1.4
511.35672	1.0
789.22424	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	26.9
55.05512	57.0
56.59298	1.5
57.03438	32.3
59.04992	5.2
60.53228	1.6
60.90540	1.6
61.02932	10.8
61.79853	1.8
65.03930	7.1
67.05506	96.4
68.05820	2.7
69.03427	21.1
69.07068	28.5
71.01350	10.5
71.04986	15.5
73.02914	6.5
77.03947	2.3
79.05493	100.0
80.05820	3.0
81.03420	42.8
81.07056	96.8
82.07372	2.0
83.01352	15.6
83.04980	34.0
83.08621	27.3
85.02908	21.4
85.06527	8.5
86.09708	3.3
91.03944	3.6
91.05482	86.7
92.05788	2.8
93.07044	91.4
94.07362	3.1
95.04966	30.6
95.08609	47.6
97.02887	16.3
97.06535	20.4
97.10171	8.6
99.04438	4.8
99.08080	4.2
103.05480	3.7
105.04537	2.6
105.07025	52.6
107.04965	22.6
107.08598	48.2
109.02892	6.1
109.06512	16.4
109.10159	16.8
111.04446	8.8
111.08088	8.8
115.05468	2.3
115.35844	1.7
117.07019	26.8
119.08581	33.7
121.06502	13.9
121.10145	28.4
123.04413	2.5
123.08060	27.0
123.11697	7.0
125.06087	2.9
125.09626	5.4
127.03928	4.0
127.07565	2.6
128.06227	3.8
129.05452	4.2
129.06998	8.6
130.07834	3.1
131.08571	22.4
133.06479	4.6
133.09215	3.1
133.10129	38.9
135.08038	11.8
135.11690	45.4
137.09612	5.4
139.07574	2.5
139.11089	2.2
143.08545	7.1
145.06467	2.8
145.10124	33.7
147.08061	6.2
147.11694	13.8
149.09627	7.6
149.13310	4.7
151.11172	10.9
153.12744	4.0
155.08517	3.4
157.10149	6.7
159.08057	2.0
159.11682	7.7
161.09625	7.2
161.13269	2.4
163.11185	48.4
165.09096	2.0
165.12706	3.9
169.10199	2.7
169.12198	2.3
171.11595	5.1
173.04453	2.6
173.09659	8.5
173.13219	2.9
175.11183	6.0
177.12727	2.9
179.10707	2.6
181.12196	13.7
182.07944	1.8
184.07335	9.6
185.13199	2.4
185.40445	1.6
187.13257	2.8
189.09070	2.5
189.11147	1.9
191.10654	7.6
193.12247	7.1
195.13828	2.0
209.11755	16.7
211.13332	3.4
223.13176	2.8
225.11147	2.6
227.12686	11.7
233.15247	2.9
243.15881	5.5
253.14403	13.7
255.15834	21.9
257.18942	3.2
267.15875	8.2
269.17490	4.5
273.18518	9.2
275.19998	7.9
283.15390	95.7
284.15887	4.2
285.16904	8.6
291.19550	18.1
293.21063	4.5
297.16943	2.0
299.14883	6.1
345.80112	1.8
349.23605	4.2
365.23175	6.7
451.26956	14.8
463.26968	21.7
464.26648	1.9
475.26810	2.6
477.28778	8.1
479.26068	3.8
493.27957	6.0
557.34583	3.3
573.33887	11.6
788.40051	2.9
789.37732	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	788.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	25.9
55.05513	48.7
57.03440	24.2
57.07083	2.9
59.05006	5.6
61.02923	10.1
65.03944	6.4
67.05507	100.0
68.05832	1.7
69.03431	12.3
69.07068	68.5
70.20194	1.8
71.01342	2.1
71.04989	15.0
73.02912	3.8
78.42704	1.9
79.05495	73.1
80.05834	3.0
81.03423	30.1
81.03869	2.9
81.07059	85.7
82.07399	2.3
83.01353	11.4
83.04977	26.6
83.08618	27.5
85.02894	17.0
85.06554	5.2
87.84224	1.5
91.03965	3.5
91.05484	72.3
91.55641	1.8
92.05825	2.8
93.07044	82.1
94.04181	1.6
95.04976	23.1
95.08611	50.9
97.02870	11.8
97.06525	25.7
97.10165	10.8
98.23476	3.1
99.04459	4.6
99.08092	3.6
105.04536	2.3
105.07037	52.2
106.07375	2.3
107.04949	25.5
107.08595	49.3
107.09290	3.8
109.02876	2.9
109.06532	14.5
109.10154	37.3
111.04459	5.7
111.08071	9.4
113.05969	1.9
115.05488	2.7
117.07016	27.8
118.07338	1.9
119.08581	42.5
121.06526	9.8
121.10149	25.7
123.08067	20.2
123.11730	4.5
125.05934	1.8
125.09637	12.2
127.03925	4.0
128.06223	2.7
129.05466	2.4
129.07002	9.1
130.07823	4.2
131.04958	1.8
131.08571	23.0
133.06520	3.1
133.10139	27.4
135.08084	9.5
135.11691	25.8
136.12038	1.9
137.09622	20.5
139.07524	1.9
141.06976	2.3
143.08589	6.3
145.06528	3.0
145.10132	35.0
147.08031	5.9
147.11685	14.6
149.09604	23.4
149.10689	2.1
149.13292	3.6
151.11174	2.8
153.12775	5.6
155.08591	4.8
155.10681	3.3
157.10133	4.0
159.11742	10.3
161.09618	6.0
161.13274	5.9
163.11194	48.3
165.09119	2.6
169.10138	3.5
171.10269	2.3
171.11676	6.2
172.12067	2.1
173.04492	1.9
173.09579	8.6
173.11769	7.7
173.13252	6.1
175.11171	4.6
175.14853	2.0
177.12796	3.8
179.14305	7.3
181.12248	6.6
183.11697	3.3
184.07336	3.3
187.11137	2.1
189.11197	2.9
191.10654	5.0
195.13860	2.4
196.14032	1.9
199.13141	1.9
209.11719	15.8
214.84325	2.0
223.13393	5.7
227.12781	11.2
229.14450	5.6
229.19533	3.6
229.38120	3.3
239.17999	4.3
243.15950	2.5
247.20598	2.5
257.19009	8.6
267.15973	3.4
273.18439	5.6
275.20035	43.6
275.23001	2.9
276.20645	3.5
283.15402	89.4
284.15906	4.2
291.19604	9.6
293.21088	7.1
349.23767	45.8
350.24121	4.9
365.23282	3.6
379.21149	15.1
418.72241	1.9
437.25351	22.1
438.25339	2.0
451.26749	2.0
461.29062	15.0
463.26797	3.2
477.28162	5.0
506.14441	2.1
521.56116	2.1
557.26379	3.1
557.34766	48.4
558.34833	4.5
573.34888	2.7
575.35675	5.0
729.14178	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	788.541
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05020	0.9
56.07554	0.4
57.03424	0.5
57.07068	0.4
58.06599	1.3
59.05013	0.4
60.07888	0.6
60.08166	7.6
67.05495	0.8
69.55657	1.0
69.56069	1.2
71.07375	4.0
78.07462	0.5
79.05481	0.5
81.07053	0.9
86.09708	34.5
91.05489	0.6
91.10480	0.4
93.07059	0.8
98.22675	0.8
98.98467	4.8
104.10750	2.5
110.37933	0.4
125.00006	24.8
183.54066	0.5
184.07347	100.0
185.07686	2.3
187.82692	0.4
203.64990	0.5
236.14943	1.6
313.27505	0.4
577.87103	0.5
640.14880	0.5
697.96619	0.4
701.49512	2.0
702.47125	0.8
770.53497	0.6
788.54736	4.8
789.52557	1.1
801.59485	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.2
56.05048	0.9
57.07066	0.1
58.06583	1.1
59.07387	0.3
59.53771	0.1
60.08167	6.8
66.71240	0.1
67.05511	0.5
69.07076	0.3
69.09154	1.0
71.07378	4.0
78.93671	0.1
79.05472	0.3
80.97433	0.1
81.07058	0.4
84.08154	0.1
85.02894	0.2
86.09709	35.3
87.10051	0.5
91.05510	0.3
93.07057	0.3
95.08633	0.2
98.98470	4.4
104.10745	3.3
109.10180	0.2
115.69377	0.1
115.97134	0.1
125.00009	25.2
142.24506	0.1
143.01073	0.4
144.10191	0.3
162.11299	0.1
166.02689	0.1
184.07347	100.0
185.07733	1.4
219.78316	0.1
236.14931	1.3
237.15364	0.2
323.14786	0.1
496.34396	0.2
561.37189	0.3
562.37567	0.7
563.38354	0.1
690.46649	0.7
770.53424	0.6
788.54614	2.4
789.54047	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.9
56.05018	0.8
57.03441	0.5
57.07080	0.5
58.06598	2.4
59.07404	0.6
60.08162	8.1
67.05497	1.4
69.07066	0.9
70.79349	0.7
71.07367	5.8
71.08607	0.8
79.05489	1.3
81.07049	1.4
82.79971	0.4
84.66411	0.4
86.09705	36.8
86.81184	0.4
87.10043	0.8
91.05495	0.7
93.07048	1.2
95.08593	1.1
97.10196	0.7
98.98450	4.6
104.10742	3.5
105.07030	0.8
107.08567	0.5
109.10154	0.7
119.08595	0.8
121.10169	0.4
125.00002	26.9
133.10051	0.7
144.10207	0.6
161.86436	0.4
184.07339	100.0
185.07689	1.8
236.14978	2.6
237.15356	0.5
258.52246	0.4
288.36957	0.4
323.14471	0.4
431.69223	0.5
561.37567	2.8
562.37903	8.6
563.38293	1.3
752.59772	0.5
770.53143	1.6
788.55426	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	14.9
55.05514	34.0
57.03444	22.7
57.07053	2.0
57.76502	2.0
59.05004	7.0
60.91555	2.5
61.02932	4.5
65.03953	3.9
67.05508	82.5
69.03429	7.9
69.07072	21.8
70.59159	3.8
71.05004	8.7
79.05495	67.5
80.05766	2.9
81.03426	26.9
81.07059	80.1
81.07531	4.9
83.01340	9.4
83.04979	22.3
83.08617	25.9
85.02914	12.8
85.06564	6.9
86.09695	2.9
91.05484	50.9
93.07048	64.8
95.04984	13.0
95.08604	32.4
97.02878	7.5
97.06522	15.5
97.10151	13.4
98.22655	2.2
99.04470	5.3
99.08089	2.4
103.05553	2.4
105.07035	40.5
107.04949	21.6
107.08592	40.8
107.09278	2.7
107.87289	2.2
109.02888	4.6
109.06522	19.5
109.10152	41.1
111.04459	7.1
111.08100	7.7
115.05520	3.0
117.07008	18.2
119.08579	31.1
121.06480	5.1
121.10172	21.0
123.08064	14.6
123.11720	3.8
125.09653	8.9
127.03966	2.2
129.06990	8.9
130.07802	4.0
131.08589	18.8
131.75398	2.5
133.06580	2.5
133.10136	18.1
135.04439	2.8
135.08060	9.4
135.11700	18.6
137.09593	4.5
141.07024	2.2
143.08565	5.3
145.10121	26.1
147.08046	3.8
147.11717	11.2
149.09637	9.8
149.13264	7.8
155.08568	3.8
157.10136	6.2
159.11644	11.6
163.11200	30.4
169.10222	3.1
171.11716	3.5
173.09657	5.5
173.11737	9.6
173.13173	4.8
175.11194	2.8
184.07330	5.1
191.10674	3.8
209.11766	9.4
211.13232	4.7
221.15192	2.6
227.12755	18.2
229.14366	29.6
233.15294	3.1
255.12183	4.9
257.19052	5.0
261.18698	2.3
265.14310	2.5
267.15851	4.2
269.17456	18.2
273.18494	3.8
275.20029	26.4
276.20819	2.4
283.12259	4.8
283.15405	100.0
284.15793	6.6
293.20944	3.2
306.88040	2.5
349.23715	21.2
367.24704	7.3
437.25360	51.5
438.25674	3.9
453.25449	2.4
459.27728	4.0
477.28473	69.6
478.28568	8.4
517.31732	15.0
539.33673	5.6
557.34796	37.3
558.35016	6.5
575.35919	21.6
791.37976	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	790.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	19.8
55.05514	45.9
57.03435	25.6
57.07062	4.8
59.05012	6.2
61.02933	9.9
61.43550	3.2
65.03938	5.3
66.94773	2.7
67.05506	100.0
69.03431	11.6
69.07066	22.4
71.01357	5.6
71.04996	12.2
71.08630	42.4
71.29948	2.6
71.30373	3.1
71.42727	2.8
73.02917	4.5
73.51622	2.7
79.05489	72.4
79.05911	4.7
80.05805	3.9
81.03420	27.6
81.07058	97.8
81.07534	6.2
83.01335	10.4
83.04986	39.3
83.08616	28.0
85.02916	14.0
85.06550	4.7
86.09709	7.1
91.05477	78.1
91.06016	5.3
92.05810	4.5
93.07047	83.9
94.07391	3.2
95.04974	29.4
95.08601	53.2
97.02384	2.7
97.02883	19.9
97.06550	17.8
97.10154	15.0
99.04484	3.3
99.08083	29.9
103.05474	3.8
105.07027	52.4
107.04979	15.9
107.08596	43.5
109.02865	4.4
109.06523	16.8
109.10142	29.9
111.04425	6.3
111.08108	11.4
117.07005	16.4
119.08591	40.9
120.08953	3.0
121.06528	11.1
121.10155	20.6
123.08028	17.4
123.11718	6.7
125.00029	4.8
125.09649	16.4
127.03938	7.5
129.05507	11.0
129.07021	7.7
131.08560	18.9
133.06496	5.1
133.10109	23.6
135.08081	6.8
135.11710	29.1
137.09651	8.8
139.11162	14.4
143.06992	3.4
143.08586	5.7
145.10130	26.9
147.08025	4.2
147.11700	11.0
149.09607	5.1
149.13303	4.9
151.11169	17.4
153.12708	3.4
155.08556	4.5
157.08614	5.2
157.10130	8.9
159.11699	9.6
161.13263	13.2
163.11171	48.0
163.14760	3.0
163.79362	3.1
171.11656	4.8
173.09692	6.8
173.11748	10.1
173.13220	5.2
177.12738	6.2
179.14348	7.3
179.77628	3.1
181.12285	8.3
184.07327	24.0
189.11259	4.5
191.10695	3.9
193.12294	3.6
195.13785	3.9
209.11748	11.1
227.12875	18.6
229.14308	3.7
241.19571	4.7
243.16113	3.0
253.14375	3.4
259.20578	9.1
267.15823	7.5
269.17438	6.4
275.20096	9.9
277.21613	15.7
283.15387	79.6
285.16733	4.3
293.21152	11.6
301.16461	10.1
333.24158	5.3
346.15335	3.4
349.23907	3.7
351.25238	35.9
352.25751	3.7
381.22736	32.0
408.99292	3.0
432.60272	3.0
437.25253	21.8
451.26895	3.8
461.28906	25.0
477.28400	10.3
541.35168	3.8
559.36121	32.3
560.36859	5.1
575.35822	3.8
744.35767	5.9
790.40668	17.2
791.36511	89.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.4
56.05025	0.6
57.03424	0.2
58.06579	1.9
59.07379	0.4
60.08162	5.9
64.93143	0.2
67.05488	0.9
68.97323	1.0
68.97752	1.1
69.07053	0.3
71.07375	3.0
71.08622	0.3
73.32070	0.2
79.05478	0.6
81.07047	0.9
83.08601	0.3
86.09702	27.0
87.10029	0.6
91.05471	0.3
93.07075	0.2
95.04990	0.2
95.08571	0.3
98.22549	0.4
98.98453	2.6
104.10748	2.3
105.07020	0.4
107.08607	0.2
109.10170	0.2
117.27367	0.2
122.43977	0.2
125.00000	17.1
143.00984	0.3
144.10146	0.6
147.11772	0.2
184.07333	100.0
185.07729	2.1
186.07777	0.3
208.26796	0.3
236.14943	3.1
269.50134	0.2
283.15405	0.5
315.17984	0.3
326.17480	0.2
424.80606	0.2
426.60989	0.2
498.37573	0.3
690.46613	1.1
692.51196	0.3
703.50568	0.4
754.55951	0.4
772.56305	1.8
790.56732	3.2
791.56689	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.5
55.05507	1.3
57.03446	0.5
67.05517	2.2
69.03423	0.8
69.07068	1.3
69.78584	1.0
69.78995	1.6
71.04987	0.5
71.08635	0.7
79.05499	2.4
81.03413	1.6
81.07057	2.1
83.04984	1.0
83.08616	0.7
85.02894	0.8
86.09692	1.0
91.03939	0.6
91.05502	2.1
92.05795	0.4
93.07058	2.2
94.07371	0.5
95.04941	0.7
95.08593	1.2
95.41651	0.4
95.60292	0.4
97.02898	0.9
97.06518	0.6
97.10172	0.6
105.07037	1.7
107.08617	1.5
107.63205	0.5
109.10141	0.7
114.77103	0.4
117.07024	0.7
119.08557	1.2
120.08920	0.4
121.10159	1.0
123.04379	0.6
131.08510	0.6
133.10147	0.6
135.11716	0.7
143.75467	0.5
145.10181	0.9
147.08072	0.5
147.11644	0.5
163.11241	0.7
172.36479	0.4
184.07312	2.4
264.89786	0.4
268.72287	0.4
283.15308	0.7
284.15671	0.5
347.15607	0.5
421.82684	0.4
456.19620	0.4
483.15744	0.9
487.64371	0.5
565.24036	1.2
791.35925	100.0
792.36377	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	791.361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.8
55.05498	2.0
55.09844	0.6
57.03430	1.6
59.04990	1.8
61.02903	2.4
67.05499	3.7
69.03410	1.5
69.07058	1.9
71.04991	1.0
71.28532	1.0
73.02883	2.4
79.05474	3.8
81.03410	2.1
81.07043	4.8
83.04953	1.7
83.08620	0.7
85.02884	2.6
86.09716	0.9
91.03944	1.1
91.05486	3.5
93.07051	4.1
95.04955	1.2
95.08578	1.4
97.02866	1.9
97.06502	1.3
101.02378	0.7
101.82301	0.7
105.07006	2.0
107.08552	2.2
109.02835	0.7
109.06460	0.8
109.10130	2.1
111.04469	0.8
117.06989	1.4
119.08567	1.8
121.10133	1.3
123.08072	1.0
129.06993	0.7
131.08549	1.1
133.10117	1.5
135.11655	1.4
145.10097	1.8
147.11661	0.8
160.33888	0.7
161.13057	0.7
169.62549	0.7
171.11642	0.7
203.31477	0.8
243.08365	1.7
283.15366	1.1
301.08856	2.0
350.84631	0.7
367.62726	0.7
385.18118	0.9
449.68146	0.8
465.20978	3.5
467.18591	0.8
481.20471	0.9
483.15939	1.5
495.21786	1.1
499.21231	1.6
524.22229	1.3
537.22168	0.8
565.23309	2.3
607.29846	0.9
634.57849	0.8
637.31085	1.1
693.28027	0.8
705.34668	7.8
722.28412	1.5
773.35181	6.9
791.35803	100.0
792.35895	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	792.5611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	24.6
56.69247	0.9
57.03164	1.2
57.03440	14.6
57.07071	3.7
59.35078	1.1
61.02927	3.0
65.03937	3.2
67.05505	91.7
68.05832	1.9
69.03426	1.4
69.07071	22.0
70.95684	0.9
70.96009	1.9
71.05003	1.8
72.12964	0.8
73.02925	1.2
79.05494	56.9
80.05813	1.1
81.07057	80.9
82.07400	2.6
83.04986	2.8
83.08611	9.3
85.02905	4.0
85.06538	2.5
91.03976	1.0
91.04898	1.6
91.05482	39.5
93.07043	65.6
94.07375	1.1
95.04961	6.2
95.08607	60.3
96.08927	1.2
97.02882	2.1
97.06530	4.2
97.10191	4.3
99.08057	1.3
105.04529	1.9
105.07030	25.2
106.03321	0.9
106.07348	0.9
107.08595	31.4
109.06547	2.6
109.10157	29.0
109.10909	1.4
111.08067	2.6
115.05503	1.0
117.07024	9.7
119.08571	20.7
120.08873	1.3
121.10145	25.8
123.08080	1.8
123.11723	9.3
125.09602	1.1
129.07036	1.6
131.08565	15.5
133.10136	16.1
135.11699	17.5
137.13275	3.7
143.08530	2.4
145.10130	13.5
147.11678	11.2
149.13260	8.0
151.11220	1.2
153.12640	1.0
157.10095	1.8
159.11703	9.3
161.09575	0.8
161.13277	8.3
163.11200	1.1
163.14793	4.4
169.10152	1.0
171.11717	1.9
173.13249	7.8
175.14761	4.3
177.16481	1.5
183.11638	1.0
185.13272	2.3
187.14833	2.8
189.16515	1.2
199.14882	2.2
201.16376	2.2
203.11745	0.9
213.16391	1.4
238.57748	0.9
241.19496	3.2
243.21017	5.8
259.20529	7.0
261.22125	18.6
263.23672	1.6
279.23352	1.2
317.24841	4.3
333.24219	6.3
335.25790	100.0
336.26129	8.2
337.27289	8.7
339.47360	1.0
352.60648	1.1
368.14886	0.9
521.43506	2.9
546.49054	1.0
595.47205	12.9
596.47284	2.0
613.48352	10.6
614.48370	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.5
55.05503	3.3
57.03443	5.7
57.07063	4.5
58.06314	2.0
58.06598	36.5
59.07383	11.5
60.08166	10.3
67.05492	4.5
67.21864	1.3
69.07062	3.7
71.08620	3.7
75.04477	2.6
75.68998	1.0
79.05473	4.1
81.07053	3.9
83.08598	2.5
84.08158	1.4
85.02894	2.9
85.10186	1.8
85.69664	1.1
86.09691	2.2
87.04436	3.5
90.31918	1.2
91.05482	5.3
93.07018	3.4
95.08603	4.4
97.10197	1.4
105.07034	1.3
105.69416	1.3
107.08614	1.4
109.10144	1.5
113.06032	1.8
117.07018	2.9
119.08524	1.7
124.99988	3.4
129.03670	1.4
129.06982	1.7
131.07007	2.2
131.08517	1.5
144.10194	16.9
145.10127	1.2
162.11224	4.4
164.56509	1.1
173.18120	1.1
184.07358	8.5
185.07700	1.9
196.80934	1.3
218.13744	1.4
236.14920	100.0
237.15282	4.9
238.50136	1.2
333.99960	1.4
351.65530	1.3
357.65140	1.5
454.27756	2.4
456.36813	3.1
474.37909	12.0
482.38205	1.7
500.39011	3.1
518.34637	1.4
692.50879	27.7
693.50879	3.5
756.57727	9.7
757.57990	1.5
774.44501	2.0
774.58563	31.1
775.58783	4.9
792.59888	37.4
793.59546	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	793.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	0.4
57.03437	0.6
61.02922	1.6
65.69836	0.4
67.05498	2.3
69.03423	1.2
69.07071	0.9
69.51730	2.1
71.04995	0.6
72.20815	0.4
73.02914	1.2
79.05502	1.6
81.03413	1.4
81.07066	2.0
83.04974	0.5
83.08618	0.5
85.02911	1.7
91.05484	2.0
93.07043	1.4
95.04971	1.0
95.08598	1.0
97.02905	1.4
105.07039	1.5
107.08607	0.9
119.08594	0.7
123.08049	0.6
127.03934	0.6
129.06924	0.5
133.10147	0.6
135.08011	0.8
135.11696	0.5
145.10141	0.9
149.01262	0.4
155.23312	0.4
163.11209	0.6
184.07437	0.5
203.05206	0.5
209.11728	0.9
243.08426	1.1
296.49240	0.5
301.09174	0.9
357.15848	0.5
373.11057	0.5
385.18677	0.6
429.17667	0.7
467.18979	2.2
481.20651	0.8
483.15872	1.0
485.20346	0.6
501.17160	0.6
521.26733	0.5
549.26892	0.8
567.25452	0.8
569.29938	0.6
581.29327	1.6
583.41956	0.6
627.29858	1.5
691.32977	3.0
705.34320	1.5
707.31708	2.9
708.32983	0.6
723.32684	0.5
775.38727	1.2
793.37860	100.0
794.38165	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	793.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.7
61.02929	2.0
65.90566	0.5
67.05508	3.0
69.03429	1.8
69.07071	1.5
69.31293	1.6
69.31704	2.4
71.04977	0.8
73.02927	1.9
79.05497	2.8
81.03424	2.8
81.07047	2.8
83.04992	1.5
83.08606	0.6
85.02889	2.6
91.03957	1.1
91.05504	2.2
92.81212	0.5
93.07047	2.7
95.04982	0.9
95.08617	1.1
97.02901	2.2
99.04459	1.1
101.02400	0.9
105.07056	1.5
107.05005	0.7
107.08629	2.2
109.02892	0.7
109.10138	1.0
111.04422	0.8
111.08092	0.6
117.07032	1.4
119.08612	1.8
121.10189	0.8
123.08143	0.9
127.03935	0.7
129.06992	0.6
131.08617	0.9
133.10164	1.3
135.11641	0.9
145.05058	0.5
145.10191	1.1
147.07967	0.6
147.11700	0.7
149.09601	0.7
157.10126	0.7
163.11215	0.9
184.07404	0.8
185.04231	0.6
196.04462	0.5
243.08464	1.8
283.15610	0.6
301.09006	1.5
373.11115	0.7
385.18542	1.3
439.19614	1.3
467.18802	3.4
483.17651	1.1
511.20938	0.8
549.26379	0.9
567.26111	1.1
581.29547	3.3
627.29779	1.5
639.29694	1.1
665.31396	2.9
666.31396	0.7
695.32794	0.8
707.32349	4.7
747.39130	0.8
775.38153	2.0
793.38062	100.0
794.38348	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	793.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.4
59.05003	0.9
61.02930	9.3
62.61564	0.7
67.05502	5.9
69.03429	7.2
69.07085	4.4
69.07519	2.3
69.99606	0.7
71.01366	0.7
71.05000	1.0
71.08650	0.9
73.02924	7.0
79.05500	4.5
81.03422	4.3
81.07059	4.3
83.01081	0.8
83.04993	2.5
83.08632	2.0
85.02913	10.5
91.03953	7.0
91.05472	4.3
93.07041	4.8
95.01134	0.8
95.04991	2.0
95.08612	2.2
97.02895	8.1
97.10184	1.0
98.23336	1.4
99.04494	2.0
101.02357	3.2
105.07066	2.8
107.05006	1.1
107.08614	3.1
109.02858	1.3
109.06568	0.8
109.10149	3.7
111.08135	0.8
117.05507	1.0
117.07048	3.2
119.08630	2.1
121.10136	1.3
123.04311	0.7
125.09637	1.3
127.03941	3.9
129.05475	3.5
131.08607	1.7
135.08113	0.8
135.11716	2.7
137.09639	0.9
145.05038	1.2
145.10143	1.5
157.04874	0.9
158.19383	0.8
161.24106	0.7
163.11194	3.6
173.11839	0.9
181.04839	1.3
183.06604	0.8
185.04190	8.3
199.05879	0.7
201.03723	4.4
203.05310	1.0
205.12219	0.7
209.11696	0.7
223.13432	2.3
241.06926	1.0
243.08392	9.2
249.11070	2.4
263.12878	0.9
283.15393	1.6
289.14120	0.9
291.15768	1.0
301.08951	15.0
305.13144	0.7
313.09158	1.2
315.10455	5.0
317.08948	0.7
319.15262	1.9
327.10687	2.8
337.16306	1.2
341.12119	1.3
347.14679	1.8
355.13879	1.1
357.15289	1.2
363.21469	1.3
365.16040	1.5
369.15298	2.1
371.17145	1.3
373.11008	9.1
383.16809	1.9
385.18304	9.2
387.12766	1.3
393.15424	1.0
403.25064	1.2
411.20410	1.7
413.17825	3.7
415.16025	1.4
419.23898	0.9
429.17233	4.7
431.24207	1.9
439.19284	3.5
441.17450	0.8
443.19238	1.0
449.25327	0.7
455.18961	2.6
457.20499	4.1
467.18872	21.9
468.19440	2.1
469.20584	2.2
470.21533	1.8
481.20609	4.7
483.18268	1.4
497.19662	5.4
498.20663	3.5
502.20624	0.7
511.21881	2.7
513.27026	2.0
525.27429	1.0
539.20691	4.8
540.21436	0.9
549.26636	2.0
553.26923	1.1
567.26886	2.9
581.29419	18.2
582.29938	4.2
609.28931	3.3
610.29614	1.7
627.29907	0.8
639.29895	10.4
640.29919	2.3
653.31647	2.0
665.31531	6.0
666.32471	1.0
669.30713	0.9
681.31128	1.4
705.34851	2.5
707.32489	57.0
708.32605	6.3
747.37738	1.4
775.38593	7.5
776.39917	1.5
793.39667	100.0
794.39990	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	793.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.6
57.07063	1.0
61.20112	1.1
67.05505	4.0
69.07078	1.6
71.08648	2.0
79.05499	3.2
79.45279	1.0
81.03413	1.3
81.06581	0.8
81.07047	5.1
83.08649	1.8
91.05481	3.2
93.07070	2.8
95.04959	1.0
95.08630	2.1
99.08109	2.4
105.07034	1.8
119.08608	1.8
121.10120	1.5
125.06040	0.9
130.65227	0.9
145.10193	1.5
184.07393	2.6
237.11037	1.0
300.15118	1.0
313.27533	1.3
362.94547	1.1
534.02777	1.1
793.41187	100.0
794.41138	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	793.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	3.3
61.02927	6.5
67.05502	10.6
69.03425	4.6
69.07069	4.2
71.01345	1.1
71.04992	1.4
71.30816	0.9
73.02910	3.2
79.05503	9.5
81.03411	4.9
81.07044	8.2
83.04968	2.4
83.08624	2.3
85.02905	5.3
91.03950	3.1
91.05477	6.0
93.07027	8.3
94.07371	0.8
95.04958	2.2
95.08588	3.3
97.02897	5.6
97.06526	2.4
97.10152	1.9
99.04478	1.0
101.02380	1.6
105.07030	5.2
107.04971	2.3
107.08594	4.1
109.02863	1.4
109.06480	1.1
109.10147	3.2
117.07005	1.8
119.08569	3.9
121.10144	2.3
123.08088	1.5
125.09572	1.0
127.03932	1.1
129.06976	1.4
131.08606	1.8
133.10133	2.5
135.11688	1.0
137.09639	1.2
145.10129	2.8
147.08025	0.9
147.11662	1.7
163.11205	3.0
167.10777	0.9
171.11646	1.5
180.90738	0.9
181.47041	0.8
184.07346	1.3
203.05110	0.8
215.14342	1.0
218.39813	0.8
235.78020	0.9
241.10992	0.9
243.08403	3.3
243.70552	0.9
247.13113	0.8
351.21326	1.4
381.24197	0.7
465.20950	6.6
466.20966	0.9
467.18808	2.4
551.28162	0.8
569.29413	5.5
747.35559	1.5
775.38654	1.7
793.42694	100.0
794.43121	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	794.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	15.8
57.07082	6.7
58.06594	12.2
63.86026	2.6
67.05505	69.8
68.05827	2.6
69.03425	7.3
69.05263	5.9
69.05657	23.7
69.07074	39.1
71.04993	2.5
71.08631	3.0
73.02934	2.7
79.05492	54.3
81.03426	8.2
81.07061	54.3
83.04976	6.6
83.08617	15.9
85.06546	5.4
86.09697	5.3
87.04472	7.5
91.05486	32.4
93.07045	48.3
95.04975	8.9
95.08615	34.8
97.02895	8.5
97.06555	7.7
97.10165	11.9
98.22652	6.5
99.08111	3.6
105.07051	20.7
107.04939	8.1
107.08603	18.7
109.10159	17.7
111.08074	4.6
115.05482	3.3
117.06991	15.0
119.08566	18.9
121.10133	29.0
121.10775	2.6
123.08051	6.0
123.11681	3.7
125.09612	7.5
129.06989	4.4
131.08601	14.6
133.06490	3.7
133.10135	11.7
135.08063	7.0
135.11713	11.1
137.09702	3.8
144.10242	3.7
145.06465	4.2
145.10133	7.9
147.08032	4.8
147.11699	10.8
149.09621	6.4
149.13269	6.5
157.10135	3.8
159.11697	8.1
163.11197	6.2
173.13307	5.1
175.44862	2.8
184.07347	12.5
190.12904	2.9
201.16380	2.7
211.13287	3.0
215.17955	9.7
218.13800	3.3
223.13315	13.0
233.18994	9.3
236.14928	22.2
237.15250	3.0
273.18558	10.3
286.82056	2.6
291.19547	100.0
292.19901	7.3
307.19208	5.7
307.22665	82.9
308.23129	7.1
335.25674	3.7
339.28723	4.4
365.23178	44.8
366.23468	5.4
535.39459	4.8
579.41077	3.4
597.41492	70.3
598.41626	9.8
679.67908	3.3
750.50946	3.6
794.53180	12.4
795.42578	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	794.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	12.4
57.07069	5.7
58.06602	5.2
58.98526	1.6
60.08164	5.1
61.02920	3.7
63.61064	1.5
65.03950	4.1
65.48278	1.7
67.05508	98.8
69.03426	10.9
69.07075	28.9
70.43291	4.7
71.01347	2.0
71.04990	6.6
71.08618	3.6
79.05496	91.3
80.05807	2.6
81.03432	10.5
81.07062	98.9
82.07390	2.5
83.04989	18.3
83.08614	12.5
85.02898	4.3
85.06536	5.2
86.09720	13.6
87.04469	5.1
91.05486	80.4
93.07047	94.5
94.07362	2.0
95.04963	17.4
95.08608	47.4
97.02882	3.2
97.06528	8.2
97.10188	3.6
99.08082	5.0
103.05471	2.2
105.04548	3.6
105.07036	60.6
105.11597	1.8
107.04942	9.5
107.08598	55.8
109.02895	2.1
109.06517	10.1
109.10157	57.8
110.10535	2.5
111.04433	1.9
111.08081	4.5
113.05994	3.8
115.05450	2.1
117.07025	16.1
118.13037	2.0
119.04924	1.8
119.08582	25.4
121.06490	12.2
121.10148	39.0
122.10447	1.9
123.04427	2.6
123.08070	9.6
123.11716	13.2
125.00050	10.6
125.09629	5.4
127.07549	3.4
129.07028	7.3
131.04941	1.7
131.08580	25.6
133.06476	6.5
133.10132	78.0
134.10448	2.4
135.08087	8.4
135.11708	16.8
137.09598	4.5
143.08533	6.6
145.06487	1.9
145.10136	16.5
147.08051	6.6
147.11690	11.6
149.09602	10.4
149.13274	10.1
151.07527	4.1
151.11176	32.7
155.08572	3.1
157.10123	5.0
159.11723	9.5
161.09625	7.6
161.13275	4.7
163.11183	4.4
169.12250	5.6
171.11719	4.4
173.09584	2.6
173.13353	8.1
175.11246	4.6
175.14932	2.2
179.10626	3.2
184.07349	55.8
187.14793	2.3
189.12770	2.2
193.12358	2.0
199.14786	2.5
205.19424	2.4
215.12836	3.2
215.17897	12.2
225.11223	4.3
231.17450	2.4
233.18964	9.7
236.14952	12.9
245.15398	4.2
245.18958	3.5
253.14362	100.0
254.14635	4.6
255.17531	3.0
263.16425	3.3
263.20062	4.0
271.15399	4.6
273.18518	21.6
274.18729	2.5
291.19531	23.4
307.22678	96.9
308.22925	5.6
335.25873	8.9
337.20132	4.2
347.22122	8.1
365.23270	34.1
485.32660	4.5
491.89038	2.0
501.32019	2.9
503.33691	31.3
504.33780	4.4
579.40210	4.4
597.41534	58.5
598.41455	9.7
794.53723	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	794.504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	11.9
57.07064	10.1
65.03945	4.7
67.05505	67.7
69.07066	49.7
69.50033	4.2
70.12762	4.5
71.04984	6.8
71.29547	6.4
75.18558	4.9
79.05491	73.5
81.03413	12.9
81.07050	64.0
83.04970	9.4
83.08622	16.6
85.06542	6.1
86.09713	10.1
87.04475	36.3
91.05486	100.0
91.06017	8.2
93.07042	65.3
95.01397	5.3
95.04973	13.7
95.08601	46.3
97.06540	16.1
97.10153	8.3
105.07040	94.9
107.04947	15.7
107.08594	26.9
109.06510	5.5
109.10159	11.7
111.08018	4.7
117.07040	26.0
119.08587	72.4
121.10136	25.7
123.08083	10.8
123.11703	8.1
125.00005	7.5
128.06252	5.6
129.05476	9.9
129.07037	16.8
131.08594	33.4
133.10141	63.9
135.08073	7.0
135.11703	12.9
143.08531	11.2
145.10100	23.5
147.11679	49.1
149.09615	17.9
151.11215	7.8
157.10141	19.9
159.11678	14.4
161.13303	5.6
169.10185	6.2
171.11728	17.1
175.51936	5.2
177.09039	5.5
179.14368	7.2
184.07329	34.9
189.16478	14.2
206.40179	4.7
213.16328	37.8
229.15523	5.5
231.17451	42.5
236.14882	10.7
275.20084	36.3
279.15604	5.4
305.21082	41.6
321.20740	9.0
349.23697	52.3
350.24225	6.3
564.93665	5.1
579.40588	46.6
580.41467	7.7
597.40717	7.4
783.88123	5.6
794.44824	10.4
795.42578	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	794.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	13.4
57.07082	6.3
58.06598	6.2
60.08164	3.5
65.03934	1.9
66.79984	1.7
67.05505	57.0
69.03433	4.1
69.07066	15.8
71.05006	2.7
71.08650	2.6
73.02917	1.7
79.05492	63.2
81.03442	5.9
81.07057	100.0
83.04996	5.4
83.08616	6.4
85.02912	5.2
85.56035	2.0
86.09729	4.7
87.04480	6.5
91.05484	32.6
92.02256	2.1
93.07051	47.6
95.04961	9.5
95.08607	98.8
96.08947	3.2
97.02882	2.7
97.06534	6.1
97.10153	1.8
98.22626	3.6
99.08086	5.9
102.55927	1.7
103.05532	3.3
105.07034	32.0
105.07686	3.0
105.93993	2.2
107.04968	10.8
107.08603	20.4
108.33764	1.6
109.06535	5.1
109.10165	13.7
111.08080	4.5
115.05494	3.0
117.07027	10.0
119.08581	16.1
121.06514	11.7
121.09352	2.8
121.10114	13.8
123.08072	59.0
123.08943	3.5
123.11695	2.4
124.08350	2.2
125.00028	4.6
125.09630	3.9
128.06223	2.8
129.05525	2.4
129.06985	2.8
131.08577	13.8
133.06529	6.2
133.10139	11.9
135.08078	6.2
135.11723	8.4
137.09639	2.9
139.07561	2.3
141.09090	8.8
143.08578	5.1
144.10245	2.6
145.10161	6.7
147.08026	4.2
147.11694	6.1
149.06030	3.2
149.09627	4.0
149.13297	4.1
151.07544	24.1
151.11217	2.5
157.10152	6.3
159.11702	6.5
161.09618	6.4
161.13286	3.7
165.09154	2.8
171.11705	2.2
173.13246	2.5
175.11172	3.5
177.09259	2.9
181.08653	2.2
183.10202	2.6
184.07307	16.3
185.13332	3.7
187.14885	3.4
199.14839	5.8
209.11603	2.4
209.13409	2.5
216.48883	1.7
217.15804	4.5
219.17482	1.8
223.09688	5.5
225.11227	74.6
226.11623	2.5
227.14365	3.5
235.16939	4.2
236.14948	11.3
243.21059	3.4
245.15431	13.5
259.09747	2.2
261.22125	9.8
263.16461	7.8
283.15311	3.3
300.80963	2.1
307.22610	3.4
319.19092	7.0
335.25803	50.8
336.26166	3.9
337.20139	19.1
338.20538	2.0
341.31165	2.0
393.27615	2.1
461.31161	1.8
485.32663	3.6
501.32077	2.1
503.33777	9.6
526.69537	1.9
572.79486	2.4
574.38385	2.1
597.41455	32.9
598.41174	4.5
794.54437	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	794.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05834	1.1
57.03441	13.9
57.07080	5.3
58.06610	7.0
59.05013	1.4
59.07385	1.6
61.02922	2.2
65.03938	4.0
65.86904	1.1
66.35883	1.1
67.05507	74.8
69.03072	1.6
69.03426	12.2
69.07072	39.7
69.47072	1.0
71.05003	4.9
71.08620	2.9
79.05495	73.8
80.05813	1.3
81.03423	9.9
81.07059	57.0
83.04970	5.9
83.08620	17.3
85.02899	2.9
85.06562	1.7
86.09697	1.6
87.04462	3.3
91.05482	42.6
93.07046	64.2
94.07355	2.0
95.04971	14.5
95.08611	35.3
97.02884	12.0
97.06536	4.6
97.10169	13.3
98.22545	2.2
99.08083	6.0
100.34188	1.3
101.07166	1.1
105.04507	2.4
105.06401	1.0
105.07026	27.5
107.04951	9.1
107.08591	26.9
108.08935	1.2
109.06534	4.9
109.10166	16.8
111.04453	2.5
111.08096	3.4
115.05460	2.0
116.06200	1.2
117.07021	12.9
119.04955	1.3
119.08582	23.4
121.06490	3.9
121.10139	27.0
123.08077	4.7
123.11710	3.3
124.99985	1.7
125.09625	10.4
128.06252	1.8
129.07024	5.4
130.07780	1.4
131.08577	14.6
133.06482	4.5
133.10147	13.1
134.07257	1.9
135.08058	4.1
135.11678	12.3
137.09624	4.2
143.08591	5.8
144.10110	1.2
145.10144	10.8
147.08054	8.0
147.11674	6.6
149.09618	3.1
149.13272	6.6
151.11165	2.2
157.10120	5.0
159.11714	7.3
161.09615	2.0
161.13242	2.5
163.11195	3.0
165.09137	2.0
167.12814	1.2
169.12135	1.1
171.11678	1.6
173.13257	3.8
175.11172	2.5
175.14874	1.3
177.12747	1.8
183.11826	1.1
184.07353	3.9
187.11157	1.4
187.14769	1.5
189.11205	3.5
205.12210	2.1
211.13327	1.5
213.16499	1.3
215.17946	10.2
223.13292	23.9
227.12807	3.1
228.87360	1.7
233.19038	7.3
236.14928	9.4
245.18982	1.2
249.14894	3.6
263.20184	1.4
273.18484	13.0
291.19540	100.0
292.19949	6.4
307.22659	81.0
307.27866	1.5
308.22934	5.5
335.25815	1.1
347.22275	3.0
365.23227	40.5
366.23584	3.0
517.35248	1.6
535.39703	1.7
597.41510	68.9
598.41724	10.0
697.38251	1.3
794.54443	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	794.577
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03163	1.1
57.03443	18.6
57.07077	6.6
58.06594	2.8
59.07393	0.9
60.08139	0.8
61.02935	4.9
65.03939	4.8
67.05507	96.4
68.05824	1.6
68.96799	8.0
69.03425	1.8
69.07070	36.7
71.04983	2.9
71.08653	4.1
73.02937	1.2
77.03918	1.1
79.05494	48.9
81.07059	100.0
82.07391	2.1
83.04984	2.5
83.08622	19.9
85.02911	3.5
85.06536	2.7
85.10192	1.4
87.04453	2.8
87.89867	1.0
91.03952	1.2
91.05482	30.9
93.07047	58.1
94.07376	1.7
95.04982	3.2
95.08610	77.2
95.44041	0.9
96.08917	1.7
97.02875	2.2
97.06542	4.2
97.10170	8.8
98.23447	1.8
99.08109	3.1
104.49594	0.9
105.04541	1.0
105.07033	21.2
107.07868	1.6
107.08599	31.2
108.08927	1.3
109.06527	1.0
109.10157	34.2
110.10478	1.4
111.08090	2.3
111.11751	1.3
113.09624	0.9
117.07026	5.4
119.08588	18.9
121.10142	26.3
123.08070	1.4
123.11719	12.4
125.09600	1.2
129.06993	1.4
131.08588	9.9
133.10129	15.7
135.11697	17.7
136.12059	1.0
137.09630	1.9
137.13249	4.4
139.11194	1.2
139.27469	0.9
143.08562	1.4
145.10103	9.7
147.11711	8.8
149.13283	8.7
151.11160	1.5
157.10100	1.8
159.11646	7.0
161.13281	7.8
163.11174	0.9
163.14828	6.8
171.11694	2.2
173.13248	4.8
175.14799	5.0
177.16403	3.7
179.14299	1.0
183.11737	0.9
185.13275	1.9
187.14795	2.4
189.16429	1.2
201.16496	1.0
203.17899	1.1
208.58850	0.8
215.17989	1.8
233.22708	0.9
236.14890	5.6
243.21236	5.2
245.22710	2.7
259.20596	3.6
261.22141	15.5
262.22562	1.1
263.23639	4.3
279.23102	0.9
280.83481	0.9
287.63324	0.8
301.08182	0.8
307.23013	1.0
310.26257	0.8
317.24692	2.4
323.26126	0.8
333.24167	2.9
335.25809	59.2
336.26117	3.4
337.27362	62.8
338.27551	4.2
339.28857	5.0
447.82886	0.9
522.12762	0.9
523.44965	3.2
548.49902	0.9
597.48767	19.4
598.48999	4.6
615.40533	1.1
615.49854	13.2
616.49658	2.7
688.08752	1.1
776.59650	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.3
59.05024	0.5
61.02932	4.6
67.03594	0.4
67.05505	6.6
69.03432	3.6
69.07078	3.0
70.32716	0.9
70.33051	0.6
71.04989	0.7
73.02924	3.1
73.06601	0.5
79.05494	5.4
81.03415	3.9
81.07062	5.7
83.01381	0.6
83.04987	1.9
83.08636	1.8
85.02909	6.1
86.09743	0.5
91.03950	2.8
91.05480	4.2
93.07047	5.4
95.05000	1.4
95.08616	2.7
97.02891	5.2
97.06538	3.2
97.10186	1.9
99.04460	1.4
101.02396	1.5
105.07024	1.9
107.04980	1.3
107.08598	2.9
109.02882	0.8
109.06553	1.2
109.10168	2.2
110.68809	0.4
111.04446	0.7
111.08146	0.5
113.06054	0.5
115.05527	0.5
117.07051	1.2
119.08582	2.1
121.06521	0.7
121.10179	1.4
123.08105	0.5
125.06017	0.4
125.09693	1.1
127.03898	1.9
129.06989	0.9
130.07831	0.5
131.08624	1.0
133.10182	1.5
135.08066	0.7
135.11729	1.7
137.09641	0.4
145.10167	1.7
146.15807	0.4
147.08073	0.6
147.11722	0.9
149.09656	0.8
151.11256	0.6
153.01846	0.5
157.10144	0.4
163.11211	2.6
171.11809	0.4
173.09665	0.8
173.11745	0.5
183.50429	0.4
184.07376	0.6
185.04303	0.6
191.10623	0.4
209.11859	0.5
229.14398	0.5
243.08354	3.1
249.11400	0.6
275.20001	0.5
283.15530	1.0
351.21353	1.9
407.23816	0.5
433.20273	0.7
435.27069	0.4
436.27649	0.6
451.21051	0.9
467.18915	7.5
467.24927	0.7
468.19525	0.6
469.21765	0.7
495.16672	1.1
539.20947	0.6
569.29309	6.4
570.30530	0.6
651.33392	0.5
795.41339	100.0
796.41608	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	795.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.9
57.07060	0.7
58.06608	0.8
61.02927	6.0
64.71737	0.6
65.03960	1.5
67.05511	6.0
69.03427	4.4
69.07068	3.0
70.06592	4.9
71.04996	0.8
73.02927	4.3
75.51442	0.7
79.05500	6.3
81.03445	3.5
81.07070	6.3
83.04974	2.2
83.08630	1.6
85.02884	4.5
86.09740	0.7
88.07622	4.3
91.03960	2.7
91.05485	6.0
93.07053	4.9
95.05002	1.5
95.08615	3.3
97.02895	4.8
97.06547	1.6
99.04458	1.7
101.02389	2.1
102.09200	2.5
105.07050	3.4
107.04958	1.2
107.08598	4.0
107.17986	0.8
109.02861	1.1
109.06548	1.8
109.10121	1.8
111.04480	1.6
117.07035	1.7
119.04818	0.6
119.08604	1.9
121.06548	0.7
121.10165	2.1
127.03941	1.1
128.67020	0.7
129.07022	1.1
131.08571	1.3
133.10150	2.6
135.11690	1.7
145.10139	1.6
149.02354	13.3
149.03419	1.0
149.09479	0.9
150.02702	2.5
163.11194	2.8
176.20457	0.6
184.07339	1.4
185.04352	0.8
193.04991	6.7
194.05280	2.1
200.20123	10.0
201.20406	4.6
237.07631	1.1
243.08417	3.1
249.11176	1.0
292.16254	0.6
333.20334	1.6
380.21710	0.7
386.09723	0.9
467.18488	3.1
485.19736	2.6
551.28217	7.0
622.15674	1.4
724.65845	0.8
777.40411	10.7
778.40417	1.4
795.41754	100.0
796.42090	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	795.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.9
61.02926	6.4
67.05518	5.0
69.03442	4.6
69.07063	2.5
70.06614	1.2
71.04983	2.1
71.29441	1.5
73.02917	6.3
79.05493	7.6
81.03414	4.7
81.07060	6.0
83.04978	1.4
83.08620	2.6
85.02894	8.1
91.03960	5.6
91.05491	6.4
93.07042	5.5
95.04993	3.7
95.08643	3.7
97.02892	7.0
97.06581	1.5
97.10198	1.2
99.04485	1.1
101.02413	3.0
105.07049	3.4
107.04997	1.1
107.08623	3.8
109.02938	1.5
109.10173	2.0
117.07066	1.8
117.85736	0.9
119.08614	3.0
121.06367	0.9
121.10206	2.3
127.03931	2.4
129.05519	1.7
130.14645	1.1
131.08586	1.6
133.10176	2.0
135.08078	1.1
135.11819	1.7
143.08594	1.8
145.10176	2.0
147.08095	1.1
147.11684	1.6
149.02364	2.0
163.11259	1.2
168.09627	1.0
181.12337	1.0
184.07437	1.3
185.04318	4.6
200.20152	2.1
201.03651	0.9
203.36574	1.0
243.08391	5.2
243.77254	1.1
251.12546	1.4
301.08954	8.6
315.10455	2.2
333.20602	1.5
360.69363	1.1
373.11069	3.1
383.17166	1.4
385.18393	3.5
395.16910	1.2
413.18115	1.2
429.17505	1.7
433.25961	1.1
439.19577	2.9
443.19104	3.1
450.45914	1.0
467.18930	2.1
469.20657	8.6
481.20703	2.4
485.20151	3.6
528.21954	2.1
541.22375	5.1
551.28497	3.6
584.30505	1.1
611.30719	1.3
612.31036	1.7
641.31433	2.1
646.84576	1.5
655.58698	1.1
667.33368	5.7
693.37512	1.2
709.33911	19.3
710.34900	2.5
733.40594	1.5
749.40753	1.9
777.40710	5.3
778.40338	1.6
795.41260	100.0
796.41412	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	796.52
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	25.2
57.07071	4.5
58.06596	7.2
60.08157	2.1
61.02919	4.3
65.03939	4.9
67.05505	88.0
68.05853	2.0
69.03322	9.5
69.03719	5.2
69.07072	32.9
71.04990	4.2
71.08645	3.5
73.02911	1.7
79.05495	82.1
80.05809	2.2
81.03430	10.6
81.07058	100.0
82.07384	3.1
83.04989	7.8
83.08626	13.8
85.02909	6.7
85.06532	3.8
86.09693	5.3
88.35818	1.6
91.03963	2.7
91.05481	70.5
93.07044	74.3
94.07385	1.8
95.04964	14.9
95.08604	59.2
96.08914	1.9
97.02886	7.1
97.06532	13.7
97.10179	3.3
99.04468	2.0
99.08092	5.7
103.05452	2.1
105.04556	3.0
105.07026	40.3
107.04974	10.6
107.08594	39.5
109.06545	8.9
109.10158	21.4
111.08068	3.6
113.06016	1.8
115.05413	2.8
117.07024	22.8
119.08582	31.9
121.06507	4.6
121.10143	32.2
122.10409	1.8
123.08085	5.7
123.11709	6.0
125.00028	2.1
125.09596	4.2
127.03973	2.6
127.07554	2.5
128.06255	3.6
129.05504	3.1
129.07025	17.4
131.08571	35.8
132.08937	2.5
133.06477	3.6
133.10120	26.8
135.08067	11.7
135.11688	17.5
137.09608	7.3
137.13237	2.4
141.07019	6.4
142.07751	2.4
143.07018	5.1
143.08583	8.4
144.10196	2.8
145.06468	2.1
145.08975	2.7
145.10121	28.5
146.67532	1.6
147.11690	13.3
149.09630	15.0
149.13278	5.1
151.07552	2.1
151.11185	3.4
153.12746	2.7
155.08546	6.2
155.42189	1.6
157.10190	11.0
159.08122	2.0
159.11714	17.9
161.09584	4.1
161.13255	13.2
163.11148	8.7
163.14812	4.5
167.10725	2.7
169.10194	8.3
171.11668	11.6
173.04495	2.0
173.09659	2.7
173.13297	12.8
175.11224	10.5
179.10555	1.8
183.11700	3.9
184.07352	13.5
185.13303	6.5
187.11148	5.1
187.14859	7.3
189.12755	6.5
191.14276	5.0
197.13261	2.3
199.09645	9.1
201.11241	11.9
201.16368	11.4
207.13734	3.3
211.14804	9.9
213.16467	2.3
229.15880	19.2
236.14935	17.3
237.15170	2.6
241.14372	6.1
243.21085	3.9
247.16953	21.7
261.22174	15.0
263.16382	2.8
265.18094	2.0
271.59711	2.2
281.17444	18.6
303.19501	3.2
307.22662	7.5
309.24591	1.8
317.24454	2.2
321.20593	25.2
333.24454	2.4
335.25790	97.7
336.26102	6.6
339.21478	3.3
425.21280	2.0
443.82278	1.8
461.32654	5.3
474.38086	2.0
501.35687	12.8
535.60828	1.9
541.38922	35.8
542.38916	3.9
581.42078	27.8
582.42249	3.5
599.42609	5.5
764.40436	2.1
778.53369	2.5
796.54810	7.5
797.43951	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	796.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	11.7
57.07074	4.9
58.06593	5.6
61.02922	3.3
62.59630	1.9
65.03942	5.1
67.05505	67.6
69.03419	8.8
69.07070	20.0
71.04995	3.2
71.08614	4.9
74.09724	5.7
75.03661	2.2
77.67061	2.4
79.05495	89.0
80.05822	2.7
81.03420	8.6
81.07058	62.8
83.04968	5.9
83.08627	25.0
85.02890	4.0
85.06510	3.8
86.09719	2.5
91.05488	48.7
93.07045	72.7
94.07359	3.6
95.04961	10.3
95.08608	35.4
97.02875	3.3
97.06530	6.7
97.10174	44.0
99.04428	2.7
99.08096	3.6
103.05440	2.7
105.04495	3.0
105.07032	41.0
107.04935	5.9
107.08600	66.2
107.60158	2.1
109.06492	6.4
109.10156	20.8
111.08098	5.0
117.07032	9.8
119.08581	25.9
121.10158	28.3
123.08068	3.3
123.11718	8.0
125.00005	4.0
125.09633	34.9
129.07019	7.1
131.08572	19.8
133.10139	30.4
135.08043	5.6
135.11676	16.4
141.07060	2.7
143.08559	4.2
145.10120	23.0
146.10417	2.4
147.11697	17.9
149.09653	7.3
149.13289	7.9
151.11203	4.5
153.09033	3.1
157.10103	6.7
159.11705	12.8
161.09583	2.6
161.13211	5.1
163.11226	2.5
168.19395	2.3
169.10133	2.9
171.11737	4.3
173.11845	2.8
173.13263	5.5
183.11708	5.2
184.07382	12.6
187.11275	2.8
187.14885	4.8
189.11221	21.3
199.14864	2.8
213.16443	4.8
215.17931	18.7
227.12752	47.6
231.17387	5.4
233.19063	16.4
236.14914	7.2
247.13252	5.0
257.19028	10.6
275.20065	37.1
276.20364	4.3
307.22656	100.0
308.23053	7.6
349.23709	43.7
350.24106	4.9
351.25128	2.4
389.18192	4.1
436.76334	2.3
477.32047	20.4
537.38080	3.3
581.41968	77.4
582.41986	7.4
599.42944	8.2
621.35767	4.6
692.40063	3.1
796.41492	10.1
797.44336	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	796.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79216	2.1
56.08287	2.1
56.13279	1.9
57.03445	22.8
57.07088	4.1
58.06611	6.1
59.04997	2.1
59.07434	2.3
59.62554	2.1
61.02934	3.7
65.03946	5.5
67.05509	100.0
68.98065	15.6
68.98485	7.1
69.03434	9.4
69.07072	26.0
71.04996	6.1
73.02906	2.0
79.05496	92.3
80.13059	1.9
81.03434	12.7
81.07060	86.9
82.07393	2.3
83.04985	9.2
83.08611	13.5
85.02913	4.4
85.06561	4.4
89.30414	2.4
91.05488	64.3
93.07049	84.8
95.04984	15.1
95.08605	52.4
97.02900	5.2
97.06548	9.0
97.10166	4.6
99.05298	2.2
99.08080	4.1
104.42121	2.1
105.04502	3.7
105.07039	44.5
107.04973	6.0
107.08601	42.3
109.02915	2.8
109.06524	8.3
109.10160	27.1
111.08102	5.5
115.05428	2.4
117.07024	20.0
119.08596	34.6
121.06493	3.3
121.10147	38.4
123.08092	4.7
123.11734	3.4
125.09685	5.0
127.03938	3.0
128.06268	3.3
129.07014	10.0
131.08588	33.8
133.10129	27.6
135.08038	7.8
135.11688	25.2
143.08560	5.6
144.10202	3.8
145.06540	2.4
145.10124	22.5
147.11658	13.8
149.09657	10.2
149.13263	12.9
151.11206	4.0
155.08630	2.5
157.10161	10.5
159.11674	15.2
160.12080	2.1
161.09634	2.8
161.13293	5.2
163.11177	7.0
164.45076	2.3
169.10139	4.3
171.11697	6.9
173.04460	2.8
173.11848	3.0
173.13284	8.8
175.11284	2.7
177.12839	2.3
183.11742	2.8
184.07385	6.9
185.13217	4.9
189.11244	2.4
195.60275	2.3
200.27892	2.1
201.16423	5.5
201.89607	2.0
203.14320	2.9
211.34763	2.3
215.17871	13.4
217.15883	3.3
219.17365	2.6
229.14255	12.0
233.19020	6.6
235.17094	3.4
236.14859	15.9
239.18016	4.7
255.15953	3.1
257.19089	6.5
269.17557	9.0
275.20004	19.1
297.21967	2.5
307.22656	88.9
308.23001	7.3
309.20749	7.8
321.20679	3.5
331.22592	2.8
335.25867	9.6
349.23621	16.3
461.32751	6.7
487.34329	5.6
501.35742	29.4
502.36133	3.2
541.38837	20.7
542.38849	2.7
581.42096	19.9
599.43011	5.3
674.20026	2.6
682.48950	2.5
796.55334	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	796.52
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	24.1
57.07070	9.8
58.06608	30.1
58.13986	4.6
59.07379	8.8
60.08162	9.0
61.02938	4.9
65.03949	4.0
67.05511	100.0
68.05850	4.0
69.03428	11.3
69.07075	33.2
71.04975	5.1
71.08617	6.2
79.05499	99.7
81.03412	12.0
81.07061	95.3
82.07396	5.9
83.04971	12.5
83.08624	20.7
83.14381	3.8
85.02917	10.7
85.06551	8.4
86.09715	9.7
87.04501	5.0
91.04967	7.1
91.05487	80.5
92.05810	7.8
93.07051	97.5
94.07375	7.7
95.04969	18.1
95.08609	59.1
96.08927	8.1
97.02915	6.6
97.06524	12.8
97.10180	13.4
98.23359	8.8
99.08097	9.8
105.07035	59.0
106.07359	7.5
107.08605	38.2
109.06529	11.2
109.10161	29.7
111.08112	10.5
113.05965	4.8
116.06226	4.2
117.07021	26.7
119.08603	39.5
120.08969	4.2
120.36337	3.9
121.06541	5.1
121.10142	45.6
122.10480	5.0
123.11722	8.2
125.00005	10.5
125.09629	12.8
129.07027	8.3
131.08592	29.4
133.10135	37.6
134.10489	8.2
135.08092	12.7
135.11716	23.3
137.09703	4.2
143.08565	11.2
144.10204	12.6
145.06488	3.5
145.10136	20.6
147.08031	4.5
147.11684	18.5
149.09654	4.2
149.13290	11.8
151.11258	3.8
157.10126	7.0
159.08060	4.0
159.11691	16.4
161.09677	6.1
161.13272	8.6
163.11176	5.6
169.10088	4.4
171.11710	9.1
173.13255	8.1
176.15186	3.6
184.07343	38.3
185.13274	9.2
187.14908	6.5
211.93188	4.4
215.17952	8.6
222.70909	3.6
227.12740	12.7
230.18256	4.2
236.14958	77.2
241.19638	5.8
253.14374	10.7
254.14734	10.3
259.20609	7.7
269.17606	5.0
271.17056	8.3
275.20093	9.9
289.18112	7.8
291.19604	15.9
307.22720	56.0
308.23077	14.9
309.24078	17.2
311.25848	8.3
333.24295	13.4
335.25806	5.3
349.23666	4.5
363.21631	6.1
365.23294	10.8
365.89941	4.7
429.18658	4.2
474.37405	4.9
481.34872	6.9
501.35541	13.4
535.40631	5.1
536.39935	4.9
581.41443	5.8
583.43390	9.5
599.42963	37.3
760.53070	6.9
761.54346	4.6
778.53864	14.3
796.55737	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	796.543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	20.0
57.07064	7.7
58.06602	21.0
59.05006	1.9
59.07378	5.8
60.08158	4.4
61.02916	6.0
62.02715	1.9
65.03912	4.4
65.84208	1.7
67.05511	28.1
69.03433	56.9
69.07068	48.2
70.77889	3.5
71.04992	5.4
71.08630	3.5
71.10795	1.9
73.02924	3.6
79.05486	21.5
81.03421	20.4
81.07054	36.2
83.04988	42.5
83.08609	16.6
85.02908	13.8
86.09705	2.9
87.04506	4.1
91.05482	22.8
93.03411	10.2
93.07055	20.5
95.04990	10.3
95.08610	22.8
96.11474	1.8
97.02867	3.9
97.06530	14.5
97.10169	88.0
99.04457	9.9
103.03936	4.7
105.03193	1.8
105.07027	11.9
107.04953	3.0
107.08600	19.2
109.06514	2.1
109.10149	12.6
111.04436	100.0
111.08081	2.1
111.11684	5.5
117.07015	6.2
119.08601	10.2
121.10133	8.9
123.11697	4.3
124.99951	2.4
125.09631	42.9
129.05476	27.8
129.07014	3.6
131.08554	5.1
133.10104	8.7
134.16364	1.9
135.08054	4.0
135.11681	11.1
143.08463	2.1
143.10664	31.2
144.10199	7.0
145.10165	4.9
147.06526	22.4
147.11594	2.8
148.06824	1.7
153.05449	2.3
153.12753	21.4
159.08026	3.6
159.11620	2.7
162.11288	3.1
162.49353	1.9
165.07578	11.0
167.07072	10.4
171.06516	3.6
171.11613	2.8
171.13847	9.3
184.07356	15.6
185.08104	10.0
189.07574	7.9
189.11195	4.2
203.09123	23.4
207.08649	2.5
213.16306	2.3
221.10260	5.6
223.13223	4.6
227.12724	7.8
235.13390	2.9
236.14888	30.7
245.10240	7.0
253.14317	5.4
259.11819	5.0
271.15573	6.2
273.18396	2.8
281.17542	2.5
289.16330	13.6
291.19534	10.9
299.18506	8.1
301.12839	4.0
307.17670	4.9
309.24243	16.0
311.25327	2.4
313.16470	2.4
313.27438	3.6
317.19492	8.3
327.17923	6.6
331.17557	11.0
335.25745	4.9
345.19080	17.0
345.24295	2.0
355.21072	5.2
365.23251	11.0
373.22226	12.6
387.20145	2.5
401.21631	2.8
413.25345	3.9
429.24698	8.1
431.26453	4.7
441.28329	7.2
456.37320	2.2
459.29550	5.8
473.27426	5.6
474.37714	4.7
487.28879	3.1
497.31192	4.0
515.32080	14.9
583.38159	2.4
599.43011	15.4
778.54767	5.4
796.55188	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	796.5923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	10.4
57.07074	6.1
58.06590	2.5
58.71761	1.0
60.08171	1.4
61.02922	3.0
64.22902	0.8
65.03926	2.6
67.05503	64.4
68.05820	1.4
69.06684	1.5
69.07065	30.2
69.11884	5.3
71.05003	1.8
71.08622	3.3
79.05491	21.1
81.07053	68.4
82.07383	1.4
83.04994	1.8
83.08611	14.4
85.02887	2.4
85.06553	1.6
85.10197	1.7
86.09715	2.3
91.05483	14.7
93.06470	2.0
93.07040	26.9
95.04955	2.7
95.08602	55.9
97.02877	1.4
97.06517	3.3
97.10161	9.0
99.08077	2.0
105.07019	10.8
107.08584	13.3
109.06544	1.1
109.09450	1.6
109.10151	20.6
111.08054	2.6
111.11711	1.0
117.06994	1.2
119.08572	8.7
120.41609	1.0
121.10132	12.4
123.11703	8.5
124.99987	2.1
125.09628	1.2
131.08551	3.1
133.10149	6.2
135.11684	6.7
137.13228	3.4
144.10242	1.0
145.10103	1.5
147.11664	4.8
149.13277	3.7
151.11087	0.9
151.14815	0.8
159.11702	2.2
161.13197	5.1
163.14807	4.4
165.16425	2.0
173.13156	1.0
175.14873	3.3
177.16394	1.6
182.62639	1.0
184.07347	6.1
189.16322	1.3
214.38599	1.0
219.21042	1.1
236.14989	3.4
241.18132	1.0
243.21190	2.5
245.22678	3.5
249.54272	0.9
261.22128	6.4
263.23618	6.0
289.25195	1.1
317.24652	1.4
335.25946	5.1
337.27335	100.0
338.27655	7.3
339.28989	7.6
507.45419	1.2
525.45935	2.8
543.47858	2.5
543.84430	1.1
597.49951	0.9
599.50244	32.3
600.50684	5.4
617.51410	19.3
618.51361	3.4
625.43176	1.3
778.60468	1.2
796.51141	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.3
57.07072	0.7
58.06601	1.8
59.07382	0.5
60.08164	0.6
61.02928	7.3
61.67321	0.4
67.05502	7.7
69.03429	4.8
69.07068	2.0
71.01343	0.7
71.04987	0.6
73.02918	4.8
75.04490	0.5
79.05493	5.4
80.08704	0.4
81.03419	2.1
81.07056	6.6
82.83176	0.4
83.08631	0.8
85.02907	7.3
86.09732	0.8
87.04479	0.6
91.03955	4.4
91.05495	3.3
93.07034	5.9
95.04950	0.5
95.08604	4.8
97.02894	6.7
97.06516	0.4
99.04469	1.4
101.02383	2.1
105.07008	2.1
107.08588	2.4
109.02888	0.8
109.10187	1.8
115.03917	0.5
116.96331	0.4
117.07014	0.7
119.08591	1.5
121.10139	2.3
123.11727	0.6
124.99998	0.7
125.62898	0.4
127.03925	1.9
131.08624	1.1
133.10223	0.6
135.11699	1.2
144.10257	0.7
145.10187	1.0
147.11787	0.5
184.07375	2.4
185.04279	0.6
196.81778	0.4
203.05403	1.0
205.72069	0.5
236.14957	4.1
237.15379	0.5
243.08472	2.1
335.25754	0.8
366.52615	0.4
414.44244	0.4
420.43527	0.4
502.41068	0.6
519.29321	14.2
520.29755	1.5
696.54431	0.6
733.14246	0.5
779.62372	1.6
785.39532	0.5
797.51636	100.0
798.51978	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.2
57.07071	0.9
58.06602	4.2
58.76321	0.5
59.07378	1.1
60.08175	1.0
61.02932	5.9
64.37997	0.5
67.05508	5.8
69.03439	2.9
69.07066	1.7
69.40784	0.5
71.01373	0.7
71.07360	0.5
73.02907	4.4
79.05497	4.9
81.03426	1.4
81.07059	5.2
83.08640	0.5
85.02908	6.2
86.09718	1.3
87.04481	0.6
91.03959	3.4
91.05479	2.8
93.07046	5.2
95.08608	3.8
97.02903	5.5
98.23349	1.6
99.04450	0.8
101.02391	1.8
105.07047	1.7
107.08595	2.5
109.02897	0.8
109.10170	1.3
117.07032	0.5
119.08595	1.2
121.10170	1.2
123.11678	0.5
125.00042	0.8
127.03922	1.8
131.08574	0.9
133.10207	0.9
135.11697	0.8
144.10194	0.7
145.10172	0.5
147.11690	0.6
184.07326	3.9
185.04228	0.7
203.05257	0.5
236.14912	6.7
237.15398	1.4
243.08507	1.7
335.25555	0.5
502.41187	0.6
519.29309	16.0
520.30176	1.2
650.31451	0.5
696.54663	1.1
697.54663	2.9
761.61646	0.8
779.61810	2.9
797.51672	100.0
798.52087	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	798.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	17.9
57.07060	5.8
59.04990	4.2
61.02929	5.1
65.03935	3.2
67.05499	52.9
69.03434	14.8
69.07069	18.9
71.04985	8.5
71.08633	18.4
71.29863	5.1
71.46774	2.9
79.05491	69.6
81.03414	31.2
81.07056	55.0
83.01339	10.9
83.04983	26.6
83.08624	18.1
85.02888	18.8
85.06554	7.6
86.09691	3.3
91.05481	78.9
92.05814	2.7
93.07037	63.6
93.67641	2.3
95.04968	20.2
95.08614	27.6
97.02901	15.2
97.06500	14.6
97.10160	5.6
99.04468	3.5
99.08096	17.7
103.05459	3.5
105.04431	2.3
105.07028	48.8
105.58218	2.3
107.04976	14.9
107.08569	32.0
108.37520	2.4
109.02882	7.9
109.06514	14.7
109.10158	9.7
111.04414	5.3
111.08092	8.3
115.05449	8.2
117.07019	49.1
118.07389	2.6
119.08577	36.8
121.06523	9.5
121.10130	20.9
123.08053	17.5
125.00035	3.1
125.09670	3.7
127.03933	13.5
128.06232	10.5
129.05498	7.1
129.07002	34.7
131.08574	41.9
133.06483	9.3
133.10138	16.5
135.08046	17.0
135.11668	12.9
137.09598	5.9
141.06989	22.4
141.12746	9.3
142.07788	3.5
143.08574	22.0
145.06506	4.7
145.10109	42.8
147.08049	9.4
147.11670	4.4
149.09651	6.7
151.11211	6.2
154.07745	5.0
155.08574	17.0
157.10190	15.3
159.08081	6.0
159.11702	16.6
161.09573	5.1
161.13316	3.8
163.11195	33.7
163.68507	2.9
166.07826	4.2
167.08511	3.9
169.10107	21.7
171.11674	15.8
173.09607	9.0
173.11934	3.3
173.13318	10.0
175.11183	5.6
175.14935	3.7
176.62016	2.7
177.12877	2.4
181.10109	7.3
181.12250	5.9
183.11700	14.0
184.07375	7.4
185.13261	16.4
187.11197	14.6
187.14832	3.6
189.12645	4.3
191.10741	3.5
195.11736	5.3
199.11186	9.2
199.14850	6.0
201.12738	10.2
203.14355	11.4
209.11716	18.5
209.13422	4.7
213.12756	2.6
217.15855	6.6
219.13962	3.5
223.13257	4.9
227.12721	18.6
239.17996	4.3
241.19519	3.9
255.21033	4.0
265.19516	6.7
269.17575	4.3
273.18475	2.9
279.15811	3.9
283.15402	100.0
283.20200	19.6
284.15787	6.3
291.19540	25.2
293.17435	27.9
301.21558	22.8
309.16895	6.8
311.14978	3.6
353.16003	5.5
365.23129	14.8
375.25278	26.6
376.25604	4.4
393.26031	3.3
501.28488	8.3
503.30014	18.3
573.33948	18.9
583.36359	15.8
601.36633	3.1
798.43170	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	798.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77242	1.4
57.03441	15.7
57.07066	5.0
59.05002	3.7
60.05637	1.9
61.02926	10.4
64.05894	1.3
64.66898	1.4
65.03929	5.3
67.05507	41.1
69.03427	11.3
69.07070	14.1
69.61022	5.7
71.01337	2.2
71.04986	6.5
71.08633	9.4
73.02909	5.5
73.68515	1.9
77.03897	2.3
79.05494	47.5
81.03416	20.1
81.06587	2.2
81.07062	37.8
83.01341	11.2
83.04977	20.5
83.08619	18.5
85.02906	14.9
85.06545	5.0
86.09703	7.2
87.04488	2.1
91.03942	4.4
91.05482	65.8
92.05798	1.6
93.07043	48.0
95.04961	13.8
95.08595	20.4
97.02887	11.1
97.03421	1.6
97.06530	10.0
97.10164	2.0
99.04459	4.5
99.08090	6.4
100.11229	1.8
103.04012	2.1
103.05442	2.1
105.04514	2.5
105.07026	36.7
107.04980	12.5
107.08604	25.7
109.02857	3.7
109.06490	9.5
109.10149	4.5
111.04454	3.8
111.08075	4.8
115.05431	8.7
116.06247	2.4
117.07014	57.3
119.04904	2.8
119.08585	28.2
120.08083	3.3
121.06492	7.6
121.10131	13.8
123.08089	13.0
123.11665	2.1
125.06001	2.8
125.09621	3.8
125.21235	1.7
127.03951	8.5
128.06212	6.1
129.05457	6.9
129.07008	28.6
130.07799	3.3
131.08572	42.9
133.06456	3.6
133.10118	12.2
135.08083	9.4
135.11700	13.8
137.09607	3.5
139.07513	2.0
139.11229	2.2
141.06996	22.6
142.07803	2.2
143.08568	15.6
145.05017	3.4
145.06490	3.8
145.10124	37.5
147.08066	4.4
147.11707	2.9
149.09615	5.5
149.13135	1.9
151.11201	3.6
153.12822	3.4
154.07776	2.3
155.08540	15.9
157.10146	13.0
159.08080	3.1
159.11711	9.1
161.09647	6.1
161.13316	2.8
163.11174	25.4
167.08592	3.8
168.09276	2.8
169.10144	17.1
171.11668	10.6
173.09560	8.5
173.13242	9.1
173.14604	1.6
175.11148	2.7
175.14801	2.9
177.12686	2.7
181.10118	5.0
181.12222	6.0
183.11679	12.9
184.07263	1.9
185.09578	1.9
185.13264	8.1
186.13544	1.9
187.11259	8.2
187.14806	6.3
189.16409	1.6
191.10664	4.9
195.11678	3.4
197.13266	4.6
199.11197	2.0
199.14798	3.3
201.12773	9.9
201.16354	8.5
203.14249	3.4
209.11694	12.6
211.14771	3.8
213.16383	1.8
215.14268	2.7
217.15881	1.9
227.12703	7.3
241.19469	3.7
243.21088	3.3
257.18860	2.5
257.22705	3.0
259.09924	1.8
265.19574	2.7
267.21063	13.7
283.15411	100.0
283.20547	5.2
284.15775	6.1
285.22144	29.6
286.22485	3.5
293.17517	4.1
301.21631	4.3
359.25766	11.2
375.25269	2.3
445.20676	4.2
501.28473	5.6
527.35870	1.6
567.36487	6.3
583.36456	2.3
585.37781	6.1
601.37494	2.7
798.41052	4.7
799.42023	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	798.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03165	1.0
57.03437	16.7
57.07064	2.4
59.04997	2.5
61.02926	5.9
64.03207	0.8
65.03938	3.0
67.05506	33.6
69.03436	7.9
69.07070	10.3
69.35974	4.3
71.01326	0.9
71.04994	8.9
71.08632	18.8
73.00545	0.7
73.02895	2.8
77.03914	0.8
79.05495	47.7
81.02983	1.3
81.03421	18.8
81.07059	30.5
82.08935	0.7
83.01353	7.9
83.04979	19.1
83.08616	11.0
85.02906	9.6
85.06544	3.3
86.09695	1.8
91.03934	1.8
91.05480	56.6
92.05826	1.3
93.07046	43.2
94.07378	0.8
95.04967	14.4
95.08605	16.4
97.02881	9.0
97.06539	9.5
97.10147	2.4
98.23370	1.4
99.04447	3.7
99.08099	13.7
103.05460	3.8
105.03416	1.0
105.04517	1.9
105.07030	32.1
107.04948	11.8
107.08596	20.9
109.02916	1.0
109.06516	7.7
109.10146	5.3
111.04461	3.2
111.08079	4.1
115.05431	7.7
116.06207	1.0
117.07019	44.7
118.07346	1.3
119.07777	1.6
119.08582	21.2
121.06526	7.3
121.10133	15.3
122.73051	0.8
123.08070	11.5
123.11703	1.2
125.05974	2.4
125.09631	2.3
127.03923	2.6
127.92178	0.7
128.06190	6.5
129.05559	4.5
129.07002	26.2
130.07755	2.8
131.04932	1.6
131.08574	26.5
131.23360	0.9
132.08859	0.9
133.06482	5.9
133.10109	8.0
135.08054	13.5
135.11678	11.8
137.09579	2.2
139.07487	2.4
139.11191	4.2
141.06990	17.2
141.12711	3.9
142.07785	1.8
143.08566	17.6
145.06487	2.4
145.10114	26.5
147.08061	6.6
147.11700	1.8
149.09601	5.6
151.11153	4.0
153.06992	2.2
153.12729	3.6
154.07784	2.6
155.08553	12.1
156.09320	1.0
157.06485	1.7
157.10141	13.6
159.08075	3.8
159.11702	10.2
161.08485	1.0
161.09622	4.5
161.13229	1.7
163.11183	27.6
165.07011	1.4
166.07768	1.8
167.08545	4.5
168.09370	0.8
169.10136	16.6
171.08009	1.7
171.11694	7.8
173.04465	1.6
173.09601	6.5
173.11812	1.4
173.13206	6.4
175.11171	3.4
175.14919	3.8
177.09183	1.5
181.10080	6.7
181.12271	4.3
183.11696	9.9
184.07301	2.2
185.09732	3.7
185.13240	10.7
187.11205	13.3
187.14850	1.4
189.12711	1.2
189.16350	1.2
191.10666	2.8
191.14319	1.1
195.11682	3.6
197.13307	1.7
199.11200	3.2
199.14786	4.8
201.12740	11.0
201.16335	0.8
203.14305	6.5
204.14813	0.9
209.11710	10.5
209.13335	2.1
213.12744	1.8
217.15810	3.7
219.13734	3.0
219.27669	0.9
227.12775	8.1
239.17902	2.7
241.19400	2.9
251.12770	4.2
255.21101	2.8
259.20483	1.2
265.19614	5.2
273.22253	1.0
275.16409	2.4
283.15405	100.0
283.20212	17.1
284.15790	4.9
284.20676	1.0
293.17462	8.9
301.21628	14.3
302.22003	1.3
311.14911	0.9
314.29959	0.9
319.22504	0.9
357.24271	1.5
375.25333	9.6
381.22726	1.1
445.20621	2.0
483.26971	1.7
501.28412	24.8
502.28510	2.4
583.36249	12.0
584.36414	2.4
601.37152	1.8
645.32043	1.0
798.42108	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	14.9
57.07072	12.3
57.08547	1.9
58.06602	36.9
59.07382	9.4
60.08166	9.4
67.05508	30.2
67.60025	2.0
69.03437	6.4
69.07076	34.2
71.05009	2.5
71.08643	8.5
75.04494	3.4
75.43092	2.2
79.05499	24.3
81.03432	2.6
81.07060	31.9
83.04993	3.1
83.08615	23.4
84.08120	2.3
85.02933	2.9
86.09725	2.3
87.04459	5.4
91.05477	11.9
93.07037	23.0
95.04966	6.2
95.08621	24.2
97.02906	9.3
97.06538	4.1
97.10168	15.8
98.22572	5.6
105.07042	12.2
107.04970	3.1
107.08623	12.7
109.06499	3.0
109.10155	12.2
111.08112	3.3
116.09502	2.0
117.07031	6.5
119.08591	7.8
121.06543	2.8
121.10134	12.8
123.11652	4.0
125.09637	9.0
130.53316	2.0
131.08580	5.1
133.10138	5.5
135.11705	6.8
137.13278	2.3
143.08470	2.5
144.10187	16.3
145.10175	6.3
147.08083	3.8
147.11826	2.5
159.11699	3.4
162.11287	6.6
169.20970	1.9
184.07347	5.0
189.11215	3.5
223.13223	13.5
227.12808	5.7
229.29158	3.4
236.14923	100.0
237.15361	4.1
273.18521	6.5
291.19531	68.0
292.19781	5.4
311.25809	54.1
312.26068	5.0
313.27344	3.9
337.27377	7.2
339.28882	4.0
365.23166	32.2
366.23511	3.5
405.15948	2.2
456.36981	8.6
456.64090	2.1
474.37772	16.9
512.18011	2.2
601.44446	50.5
601.53217	4.8
602.45020	5.0
628.47485	9.6
680.50659	9.4
682.52686	13.6
683.52380	3.0
730.55920	13.2
748.57104	39.2
762.57910	6.8
766.57629	4.3
780.58917	8.3
798.59485	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	798.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74515	2.8
57.03442	9.4
57.07069	9.3
58.06590	18.8
59.07388	5.7
60.08154	6.5
61.02946	2.6
67.05507	56.9
69.00420	24.9
69.03447	5.2
69.07069	34.2
71.04996	5.0
71.08642	4.1
79.05492	39.4
81.03419	5.4
81.07060	56.3
83.04992	10.2
83.08611	17.1
85.02910	5.0
85.06553	5.3
86.09721	7.5
87.74808	2.6
91.05488	42.8
93.07047	30.1
95.04985	9.3
95.08614	26.0
97.02906	2.5
97.06548	4.9
97.10169	6.5
97.95361	2.4
98.23455	3.9
101.06009	2.5
105.07033	33.6
107.04989	3.8
107.08599	23.2
109.06535	7.3
109.10162	38.5
111.08102	2.8
113.06005	5.3
117.07069	5.2
119.08593	11.6
121.06544	4.3
121.10150	11.5
123.08131	3.2
123.11709	6.9
125.00015	6.0
131.08588	10.7
133.06528	3.4
133.10127	45.5
135.08069	5.1
135.11722	6.3
144.10239	6.5
145.08167	2.6
145.10184	5.9
147.08031	3.5
147.11774	3.3
151.11166	19.8
159.11713	4.2
161.09633	3.4
162.11256	4.9
169.12309	3.5
184.07323	31.4
200.76810	2.9
215.12770	3.3
236.14941	46.7
251.12746	2.8
253.14355	100.0
254.14728	3.6
273.18527	14.8
291.19485	15.8
309.23868	2.2
311.25827	45.5
312.26224	4.7
347.22104	7.3
365.23099	25.8
456.36902	4.5
474.38040	10.9
507.37000	18.7
583.43854	5.4
601.44653	55.0
602.44971	8.6
619.74060	3.2
626.44330	3.1
628.47516	10.2
682.52551	6.6
705.36829	3.2
730.55835	8.4
748.56860	11.9
762.58069	3.3
780.58112	4.8
798.59644	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	798.6085
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.4
57.03440	6.0
57.07080	6.0
58.06601	38.4
59.06929	0.6
59.07057	0.3
59.07384	9.7
60.08169	9.7
65.03932	0.7
67.05511	8.4
68.05810	0.4
69.00616	2.7
69.03421	0.3
69.07069	4.0
71.04978	0.6
71.08631	4.2
73.02907	0.5
75.04475	2.8
79.05500	5.6
81.03400	0.4
81.07059	7.6
82.07397	0.4
83.04965	0.9
83.08625	2.8
84.08143	2.1
85.02911	2.8
85.06561	0.6
85.10167	1.4
86.09700	1.6
87.04465	4.7
91.05482	3.9
93.05501	0.3
93.07051	4.0
94.07372	0.3
95.04948	1.0
95.08609	5.9
97.02863	0.5
97.06532	1.9
97.10147	1.2
98.10552	0.3
98.22651	0.8
99.04478	0.4
99.08073	0.4
100.11258	0.5
102.05512	0.7
103.03924	0.8
105.04540	0.4
105.05498	0.7
105.07018	2.9
107.04964	0.5
107.08602	2.4
109.06493	0.6
109.10165	2.6
113.06006	1.3
115.05427	0.5
116.07080	0.8
116.10719	0.4
117.07023	1.5
119.08556	1.4
121.10146	1.4
123.08104	0.5
123.11689	0.7
124.99978	0.6
125.09620	0.6
129.06949	0.4
130.07742	0.4
130.08646	1.3
131.07039	2.0
131.08540	1.5
132.07437	0.3
133.10118	2.0
135.08089	0.4
135.11728	0.8
143.08537	0.5
144.10202	17.4
145.10156	0.9
147.11685	0.7
149.09596	0.6
149.13260	0.6
157.10196	0.4
159.11697	0.9
161.13225	0.4
162.11256	6.5
163.11493	0.4
184.07333	2.8
196.04437	0.3
200.12837	0.9
218.13780	1.7
236.14923	100.0
237.15240	3.5
254.14630	0.5
272.15060	0.4
275.19995	0.3
290.15933	0.5
291.19434	0.8
293.21063	1.3
309.24243	1.7
310.24390	0.4
311.25894	0.6
313.27332	1.4
314.27725	0.4
335.25812	0.4
337.27362	0.6
339.28918	0.8
365.23114	0.4
369.29941	0.7
390.24963	0.6
412.26935	0.9
412.37808	0.8
426.28433	0.8
444.29462	1.4
456.36804	7.1
457.36990	1.2
474.37894	15.3
475.37982	1.4
492.33188	1.1
503.38132	0.4
510.34357	2.1
511.34341	0.4
601.44214	1.4
628.47858	3.9
629.48053	0.5
643.29956	0.4
668.50610	1.3
682.52509	25.1
683.52673	3.7
722.55499	1.7
730.56122	13.1
731.56366	2.6
748.57166	33.5
749.57605	6.0
762.58746	6.6
763.58698	1.0
766.58392	3.5
767.58173	0.6
780.59625	4.7
781.59741	0.8
798.47101	0.6
798.60828	8.4
799.46155	0.4
799.59705	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.6086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	5.6
57.07075	5.5
58.06602	37.4
59.05017	0.5
59.06934	0.5
59.07382	10.2
60.08166	11.0
60.89573	0.3
67.05505	5.9
69.03440	0.5
69.07072	2.6
69.07581	1.4
69.08006	0.8
71.04995	0.9
71.07381	0.6
71.08637	3.5
73.02912	0.5
73.26702	0.3
75.04482	3.5
77.83109	0.3
78.20086	0.3
79.05492	3.5
80.05837	0.3
80.59731	0.3
81.03439	0.3
81.07058	5.2
83.04975	0.5
83.08611	1.5
84.08153	2.1
85.02896	2.4
85.10184	1.8
86.09711	1.8
87.04469	3.8
91.05489	3.0
93.05515	0.6
93.07045	2.6
95.04980	0.5
95.08612	3.6
97.06529	1.1
97.10157	1.0
98.22624	0.5
99.04507	0.3
100.11253	0.7
101.06028	0.4
102.05559	0.7
103.03964	0.6
105.05530	0.6
105.07018	2.3
107.04973	0.5
107.08587	1.6
109.10158	2.0
113.06018	1.6
116.07074	0.5
116.10688	0.3
117.07021	1.4
118.12254	0.3
119.08590	1.3
121.06525	0.3
121.10177	0.5
123.08018	0.3
123.11731	0.4
125.00013	0.8
129.06987	0.4
130.08664	1.0
131.07031	1.7
131.08571	1.3
133.10138	0.7
135.08090	0.3
135.11626	0.3
143.08565	0.6
144.10201	17.1
145.10269	0.7
147.11769	0.3
149.09613	0.4
149.13298	0.3
155.08569	0.4
159.06668	0.4
159.11731	0.4
162.11267	6.5
171.11732	0.4
184.07358	3.9
200.12827	0.8
218.13831	1.7
225.41785	0.3
231.38512	0.4
236.14922	100.0
237.15291	3.9
239.23808	0.3
290.15958	0.6
308.93405	0.3
309.24347	0.4
313.27347	1.7
335.26083	0.4
337.27264	0.3
369.30176	0.8
372.23822	0.6
390.24854	1.0
412.27106	0.8
412.37885	0.9
444.29608	1.1
446.51935	0.3
448.34033	0.4
456.36792	7.7
457.37277	0.9
474.37906	16.7
475.38434	1.4
492.33670	1.6
510.34174	2.4
542.36829	0.3
593.99847	0.4
596.90619	0.3
601.45056	0.6
628.37451	0.4
628.47778	10.7
629.48181	1.5
668.51129	1.4
682.52502	19.0
683.52686	3.7
722.55792	6.4
723.55939	1.0
730.56165	14.8
731.56824	2.7
748.57159	37.4
749.57452	7.2
762.58716	7.2
763.59613	1.5
766.58203	4.0
767.58215	0.8
780.59808	5.4
781.59540	1.4
798.60889	11.2
799.45245	0.7
799.60443	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.6082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03164	0.5
57.03441	6.7
57.07080	6.2
58.06603	37.6
59.06924	0.6
59.07384	10.0
60.07888	0.7
60.08167	11.1
65.03934	0.8
65.96445	0.4
67.05506	9.7
69.03431	1.0
69.07071	8.0
71.04993	1.1
71.08636	3.9
73.02924	0.9
75.04482	2.3
79.05495	6.4
81.03423	1.0
81.07060	9.9
82.01877	0.4
82.07388	0.7
83.04971	0.8
83.08625	4.0
84.08150	1.4
85.02916	3.3
85.10184	1.7
86.09721	2.2
87.04476	3.4
91.05488	5.4
93.05501	0.7
93.07050	5.3
95.04950	1.5
95.08601	7.1
97.02874	0.6
97.06520	1.7
97.10172	2.8
100.11260	1.1
102.05547	0.9
103.03966	0.8
105.05524	0.6
105.07030	3.2
107.04945	1.4
107.08604	4.1
109.02863	0.5
109.06496	1.1
109.10154	4.5
111.08059	0.7
111.11701	0.5
113.06027	1.2
116.07087	1.3
117.07037	1.5
119.08588	2.2
121.06538	0.6
121.10149	1.9
123.08044	0.9
123.11692	1.4
125.09617	0.7
129.06987	0.9
130.08630	1.1
131.07034	1.6
131.08545	1.5
133.10136	2.0
135.08026	1.1
135.11708	1.7
137.09688	0.5
139.11127	0.7
143.08566	0.6
144.10204	18.9
145.10220	1.4
149.09578	0.5
149.13251	0.7
151.11180	0.7
157.15991	0.4
162.11258	6.1
171.11620	0.5
174.11180	0.4
184.07355	4.9
200.12784	1.0
218.13885	1.8
223.13300	0.9
227.12834	0.6
236.14928	100.0
237.15276	3.6
245.22357	0.6
273.18427	1.5
275.20142	0.9
291.19531	5.9
309.24417	1.0
311.25818	5.6
313.27411	1.6
337.27289	3.1
339.28967	2.4
365.23215	4.4
372.23645	1.1
390.24820	1.9
412.37842	1.3
456.36850	7.5
457.36914	0.7
474.31390	1.0
474.37894	17.5
475.38287	1.7
492.33206	1.7
510.34372	2.4
560.37073	0.5
583.43555	0.8
601.44208	6.1
601.52191	0.7
602.44727	0.6
628.47845	23.7
629.48145	4.2
668.50580	1.5
680.50439	1.5
682.52502	12.4
683.52911	2.2
722.54736	0.8
730.56091	13.3
731.55762	2.1
748.57190	43.2
749.45294	0.7
749.57465	8.0
762.58862	7.8
763.58081	1.4
766.58136	5.0
780.59717	5.9
781.60168	1.2
798.60797	12.7
799.62317	2.5
817.25909	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.5
57.07075	2.5
61.02927	4.7
63.95908	0.8
67.05509	6.2
69.03432	3.5
69.07075	3.4
69.85905	2.7
71.08634	1.5
73.02927	3.5
78.94662	0.7
79.05499	6.4
81.03419	2.6
81.07063	5.1
83.04973	0.7
83.08644	1.7
84.14398	0.7
85.02921	4.5
85.33027	0.7
86.09713	1.2
91.03963	2.0
91.05492	7.5
93.07028	5.4
95.04988	1.3
95.08624	4.2
97.02895	4.1
101.02412	1.2
105.07040	5.6
107.05006	1.2
107.08624	2.6
109.02909	1.3
109.06564	1.1
109.10172	1.6
111.04434	0.8
117.07040	2.1
119.08603	4.3
121.10141	1.9
127.03931	0.9
129.05481	1.0
129.07072	0.9
131.08577	2.6
133.10126	3.5
135.08092	1.2
135.11732	1.7
145.10141	2.2
147.11707	1.7
149.09706	1.2
157.10139	1.4
163.11235	1.2
178.96722	0.7
184.07425	2.1
196.07861	0.8
209.11807	2.4
227.12854	1.2
243.08508	2.8
283.15540	1.3
301.16437	1.4
309.48700	0.7
313.27359	4.1
315.10883	1.0
315.19308	4.3
497.00421	0.9
505.24097	1.2
507.25726	9.0
521.38568	1.0
533.27118	8.2
535.29126	0.9
539.39850	1.3
605.29645	2.6
624.26379	0.9
799.45996	100.0
800.46271	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	799.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	5.2
57.07093	6.0
58.06610	7.4
58.06869	1.3
59.07386	2.7
60.08160	1.8
61.02924	7.6
65.03945	1.2
67.05505	13.8
68.05836	0.9
69.03433	6.1
69.07070	5.0
71.05003	1.5
71.08643	2.5
71.28815	0.6
71.29249	0.9
73.02920	5.9
73.11324	0.7
75.04470	0.9
79.05491	11.0
79.23019	0.7
80.05831	1.1
81.03432	3.7
81.07063	11.1
82.07403	1.3
83.04991	1.4
83.08215	0.8
83.08628	3.9
85.02922	7.1
85.06527	1.0
85.10194	3.2
86.09715	2.4
91.03983	2.5
91.05495	6.5
93.07040	10.4
95.05000	2.3
95.08602	8.5
95.09087	0.8
96.08956	1.0
97.02889	8.4
97.06532	2.0
97.10183	3.3
99.00803	1.1
99.04472	2.1
101.02408	2.4
105.04550	0.9
105.07021	4.4
106.78658	0.9
107.04916	1.8
107.08585	4.7
109.02941	1.8
109.10131	4.9
110.10500	1.2
111.04480	1.3
115.04004	0.9
117.07032	2.9
119.08591	3.6
120.08936	0.7
121.06534	1.2
121.10146	4.7
123.11806	0.7
125.00011	1.1
125.09610	1.2
127.03942	2.6
129.05508	0.9
129.07021	1.9
131.08586	2.7
133.10161	4.4
135.11678	1.8
137.09602	1.1
143.08583	1.5
144.10251	2.6
145.10172	3.0
147.11713	1.7
159.11761	1.0
161.09637	1.1
161.13274	0.8
162.10039	0.9
162.11304	1.2
163.11258	1.2
173.13402	0.8
183.11806	0.8
184.07347	7.0
209.11623	1.2
216.08153	0.9
218.14055	0.9
236.14925	13.0
237.15340	3.0
243.08430	1.4
275.20535	0.9
283.15472	1.5
291.19580	0.9
299.14859	4.5
300.15305	2.8
301.16626	1.1
309.24258	1.1
313.27371	8.6
314.27606	3.8
316.17041	0.7
331.19089	1.8
417.08420	0.9
440.46112	0.9
458.94135	0.8
474.38165	2.1
475.38306	1.3
480.79358	1.0
491.26083	11.6
491.32745	1.0
521.38184	1.6
537.38177	1.3
538.38269	3.0
539.39642	1.9
549.26727	2.4
610.19354	0.9
613.64673	1.0
637.48376	2.5
745.54346	1.0
763.55511	2.3
781.57355	1.9
798.56909	0.9
799.45886	100.0
800.46240	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	800.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.2
61.02940	0.6
65.03942	1.2
69.03430	17.8
70.16380	0.3
70.16715	0.7
71.01350	0.6
71.04988	2.4
72.22807	0.3
73.02903	1.1
77.55276	0.2
81.03419	6.5
83.04999	1.6
85.02905	9.2
85.06555	0.5
86.05367	0.3
87.04448	0.2
91.05479	8.1
94.73819	0.3
95.04975	0.4
97.02893	7.9
99.00818	1.1
99.04451	6.3
101.02397	0.6
107.04968	1.0
108.01168	0.3
109.02879	2.7
111.04449	0.7
113.05992	1.3
115.03905	0.6
119.04945	20.9
120.05254	0.4
121.02913	0.5
123.04432	0.3
127.03916	11.3
128.04196	0.3
145.04958	8.1
145.06133	0.5
147.04405	100.0
148.04730	3.0
159.04437	0.3
165.05481	1.3
177.05466	0.4
193.04938	0.3
207.06557	0.4
212.08298	0.4
213.09102	2.5
219.08122	0.5
225.03925	0.4
227.07057	2.6
237.09103	1.4
243.04964	2.2
245.08064	0.4
247.07536	0.4
261.06024	1.1
265.08557	1.3
267.94382	0.3
291.08588	4.8
293.08105	1.8
309.09686	19.6
310.10062	1.1
311.09073	0.7
369.07837	0.4
371.10825	0.4
387.09177	1.2
389.12305	1.0
405.05319	0.4
405.10257	5.4
407.13254	0.4
455.07382	0.4
455.13361	6.3
456.13824	0.7
473.14340	0.3
485.12711	1.0
519.16309	0.3
581.16461	0.5
590.19922	0.3
617.17975	0.3
638.63776	0.3
647.05774	0.3
680.24451	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	22.2
57.07086	4.4
58.84531	2.4
59.04993	3.7
59.78885	2.8
61.02918	4.7
65.03947	5.1
67.05502	74.7
67.05842	5.5
69.03432	14.5
69.07060	24.8
69.43130	10.1
71.04993	10.3
71.08629	20.3
71.43090	2.6
71.99447	2.2
73.02904	3.7
77.03941	3.1
78.66727	2.6
79.05493	87.6
81.03419	28.8
81.07059	89.7
83.01353	10.0
83.04987	28.6
83.08620	25.9
85.02901	13.2
85.06551	9.3
86.09710	10.0
86.39940	2.6
91.05478	87.0
92.05789	3.0
93.07043	87.5
95.04964	27.4
95.08604	49.9
97.02900	9.4
97.06542	15.6
97.10187	6.2
99.04472	4.2
99.08086	19.9
100.78217	2.8
103.05482	3.6
105.04509	3.5
105.07027	67.1
107.04957	16.3
107.08587	40.4
109.02966	2.7
109.06532	17.1
109.10145	15.8
111.04441	5.1
111.08055	6.5
115.05421	5.6
117.07006	43.3
119.08588	50.2
120.08904	3.7
121.06534	10.3
121.10134	25.4
123.07293	3.1
123.08038	16.7
124.99966	2.8
125.09627	7.7
127.03886	3.9
129.05505	5.4
129.07014	27.8
131.08560	42.9
133.10139	25.0
135.08084	7.7
135.11717	20.0
137.09619	5.1
141.07040	4.0
142.07780	3.4
143.08536	20.4
145.06552	3.1
145.10120	43.3
147.08069	7.7
147.11700	11.4
147.12820	3.0
149.09621	8.4
149.13295	3.7
151.11215	6.7
153.12756	4.2
155.08589	8.8
157.10147	8.3
159.11731	11.2
161.09645	6.2
161.13286	9.7
163.11182	33.7
169.10117	8.6
171.11668	23.4
173.09627	6.6
173.13313	3.9
175.14804	8.8
177.12816	6.0
177.16415	3.4
181.12294	4.0
183.11816	3.4
184.07379	7.4
185.13307	12.9
187.14793	13.9
189.11237	4.2
189.12738	12.2
191.10641	4.6
191.14470	6.2
197.13283	3.5
201.16370	6.8
203.14349	12.8
205.15929	7.3
209.11789	8.6
221.15286	3.6
227.12767	12.7
236.15031	3.1
253.14349	3.8
257.22589	3.3
267.21106	6.9
275.20026	6.0
277.17853	3.9
283.15399	100.0
284.15723	8.3
285.22144	12.1
295.19064	22.6
303.23187	23.6
349.23782	4.5
359.25702	5.0
377.26883	26.3
381.22974	4.7
485.28705	5.6
487.30408	4.3
493.79514	3.2
503.29984	82.6
504.30502	9.1
505.31726	3.9
585.37885	25.4
586.38171	3.1
800.38794	3.5
801.40338	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	800.5278
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	0.8
57.03441	0.8
57.07064	0.8
67.05498	4.3
69.07079	2.2
71.04990	2.6
71.08629	0.8
79.05495	2.9
81.03426	2.2
81.07072	2.6
83.04965	1.0
83.08636	0.9
84.08147	23.6
85.02890	0.8
85.06547	1.0
86.09708	100.0
87.10027	1.2
91.05484	3.5
93.06531	0.7
93.07047	3.7
95.04971	5.2
95.08623	1.6
97.02926	1.1
97.06520	1.1
98.09743	0.8
99.05575	1.6
103.05506	1.3
105.07041	3.1
107.04973	1.1
107.08600	1.7
109.06522	0.8
112.11248	3.8
117.06996	2.0
119.08584	0.9
120.08106	38.9
121.08459	1.3
122.28819	0.7
123.08038	1.1
127.04011	0.8
129.06989	1.5
131.08582	1.5
133.10168	1.1
135.07980	0.9
138.09151	3.0
145.10156	1.0
152.14365	1.2
154.15889	8.8
157.13373	12.2
164.86801	0.7
166.08641	3.4
175.08693	2.9
183.11304	2.7
184.07352	3.9
185.12859	9.6
188.14360	3.4
198.44836	0.7
199.18057	15.1
201.12347	0.8
223.18076	1.4
225.19633	3.1
227.17567	14.3
231.14909	3.6
233.16513	4.9
240.13469	1.6
251.17592	1.7
253.19106	3.2
259.14474	3.1
261.16000	4.9
265.22943	0.8
267.24362	4.5
275.20221	0.9
277.15540	3.0
279.17142	1.0
283.15399	2.1
287.17694	1.1
295.23853	1.9
296.19830	0.9
298.21216	9.8
299.21237	1.8
301.22699	2.1
321.87509	0.7
327.20581	1.6
329.22247	1.2
330.18100	2.4
332.19702	1.7
340.25806	3.9
363.22028	0.9
366.27429	0.8
368.25476	0.8
374.24484	1.7
383.30243	2.9
390.23853	2.6
392.25424	1.0
400.26227	0.8
411.29654	8.3
425.35104	0.8
443.26419	0.9
445.28049	1.4
453.34708	1.0
479.36768	0.7
487.32825	1.9
496.38208	1.7
503.32312	3.5
505.33890	1.9
511.32706	0.9
524.38177	4.4
556.34753	1.7
558.36475	2.5
600.41541	1.3
616.40601	2.9
624.41077	2.0
626.43292	1.0
635.44000	0.9
641.44501	0.9
643.45953	1.7
669.43152	3.1
671.44739	4.0
672.43793	0.8
754.51935	1.9
782.51624	8.6
783.51245	1.9
785.30682	1.0
800.53455	6.3
801.39740	4.2
801.52905	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87218	1.8
57.03440	18.9
57.07070	11.5
58.06602	13.5
59.07381	2.1
60.08173	3.0
61.02932	3.5
62.92693	1.5
65.03947	5.3
67.05504	66.4
69.03429	8.8
69.07070	53.9
69.13028	1.7
69.13333	14.9
71.04995	5.3
71.08630	5.1
73.02905	3.3
75.77755	1.6
79.05492	50.2
81.03410	13.2
81.07057	79.3
82.07426	1.9
83.04987	10.6
83.08620	34.8
83.09058	3.0
85.02910	8.5
85.06557	5.0
85.10181	3.0
85.84058	1.8
86.09715	2.9
91.05479	31.7
92.05796	2.2
92.92266	1.7
93.07043	51.7
95.04967	9.1
95.08603	41.8
96.08958	2.0
97.02885	5.4
97.06516	14.3
97.10167	14.6
98.23373	3.6
99.08118	4.4
105.04478	2.2
105.07031	22.9
105.38206	1.7
107.04954	8.7
107.08598	28.9
109.02892	2.4
109.06527	4.7
109.10149	17.4
111.08073	8.3
111.11725	3.0
117.07030	11.4
119.08569	17.7
121.06519	3.7
121.10148	28.2
123.08040	3.1
123.11723	7.9
125.00043	2.1
125.09620	4.8
127.03935	3.7
129.07011	3.9
131.08595	12.3
133.06465	2.0
133.10132	15.1
135.08160	3.0
135.11696	21.5
137.13322	2.1
139.11182	2.4
143.08592	4.1
144.10213	6.6
145.10069	8.3
147.08032	1.9
147.11694	9.7
149.09633	6.9
149.13264	15.1
157.10207	2.8
159.11725	12.5
161.13264	3.2
162.11218	2.4
163.11227	3.9
163.14845	2.0
168.07091	1.7
171.11699	2.8
173.13315	4.9
177.12759	3.1
177.16530	1.8
179.14218	2.3
181.12111	2.9
184.07236	8.1
185.13251	3.6
185.70444	1.6
195.13791	4.4
199.09555	1.7
203.14465	2.1
213.14879	2.1
219.21025	5.0
227.12798	4.1
229.14285	3.1
236.14917	24.6
237.04137	2.3
237.15236	7.9
237.22179	3.2
238.15482	2.3
239.18047	2.6
247.20505	1.7
255.15854	11.3
257.18997	8.7
267.15936	1.9
269.17471	29.1
275.20099	22.9
276.20465	2.4
291.19647	2.2
293.21143	3.8
309.20663	2.4
311.25784	100.0
312.26120	7.6
331.22784	2.6
337.27225	3.3
349.23718	24.0
367.24741	3.4
465.35562	2.3
475.38141	1.9
476.38626	2.6
491.37253	20.0
492.37488	2.3
505.38794	73.5
506.39276	8.5
545.42017	6.1
585.45044	26.2
586.45502	3.3
603.45996	6.6
649.42224	1.9
683.52100	2.3
684.52545	3.5
732.56079	3.3
750.57605	10.7
764.58997	3.8
782.59442	3.0
800.59943	3.1
801.47046	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	800.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99507	1.1
57.03436	13.2
57.07078	31.7
58.06606	10.8
59.07381	3.5
60.08168	4.8
63.71554	1.2
65.03940	1.5
67.04805	2.1
67.05235	2.8
67.05508	31.1
69.03425	5.9
69.07069	29.5
69.17030	7.0
71.04996	2.1
71.08636	26.9
75.04485	1.5
79.05494	19.2
81.03429	4.9
81.07058	28.0
83.04993	4.5
83.08614	16.2
85.02904	2.9
85.10181	10.8
86.09715	3.4
86.22920	1.1
87.04453	1.6
89.06059	1.5
91.05478	15.7
93.07047	17.6
95.04974	6.8
95.08611	24.9
97.02879	8.7
97.06528	3.0
97.10173	14.5
97.10770	1.7
99.08080	1.3
105.07035	13.6
105.41684	1.4
107.04966	5.4
107.08608	14.7
109.02941	1.2
109.06541	2.3
109.10162	14.4
109.39524	1.2
111.08076	2.0
111.11711	2.6
113.05970	1.2
117.07033	6.4
119.04955	2.1
119.08598	10.5
121.06458	2.7
121.10147	6.7
123.08069	2.5
123.11697	4.4
124.99971	3.0
125.09664	8.3
128.04253	1.1
129.07021	3.3
131.08574	6.7
133.06500	3.2
133.10118	5.7
135.08047	3.2
135.11719	3.6
137.09605	2.2
137.13200	2.0
143.08632	1.7
144.10210	6.7
145.10124	5.3
147.08055	5.5
147.11737	2.7
149.09595	1.6
149.13257	2.4
157.10088	2.1
159.11720	1.2
162.11206	2.1
165.09033	1.4
175.11226	2.9
177.29446	1.1
184.07324	8.9
185.07730	1.8
189.11238	3.6
218.13739	1.3
223.13277	19.1
227.12785	4.5
236.14931	35.8
237.15234	2.2
239.23706	1.5
244.76205	1.3
249.14891	2.2
257.24875	1.4
273.18436	14.5
291.19550	100.0
292.19861	5.2
313.27356	84.8
314.27698	5.0
339.28781	2.5
347.22238	2.0
349.31717	1.1
365.23215	54.5
366.23575	4.8
456.36737	2.7
474.38126	5.9
505.39063	1.5
523.39575	4.3
585.45013	2.7
603.46167	90.0
604.46362	11.9
628.46948	7.7
629.48187	2.0
630.48810	1.7
682.52521	8.3
717.61945	1.3
732.57312	2.1
750.58801	9.9
782.59039	6.3
786.17737	1.3
800.60712	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	800.6239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84317	0.3
57.03197	0.5
57.03442	5.6
57.07076	6.1
58.06602	45.5
59.05017	0.4
59.06928	0.9
59.07384	12.4
60.08167	12.1
61.08511	0.4
67.05510	5.6
69.03410	0.4
69.07070	2.9
71.04985	1.2
71.08638	5.5
72.70871	0.3
73.02911	0.9
75.04482	3.7
79.05489	3.1
81.03433	0.7
81.06597	0.5
81.07057	5.7
83.04986	0.6
83.08628	2.3
84.08142	2.1
85.02901	2.9
85.10209	1.8
86.09709	1.1
87.04475	5.5
91.05471	3.2
93.05489	0.6
93.07052	2.6
95.08617	4.1
97.06532	1.2
97.10166	1.2
99.08110	0.5
100.11245	0.7
102.05528	1.2
103.03938	0.6
105.05523	0.8
105.07042	1.6
107.08591	1.6
109.10178	2.3
113.05988	2.1
116.07088	1.2
117.07018	0.9
119.08572	1.2
121.10159	0.9
123.11742	0.7
130.08643	1.0
131.07034	1.7
131.08563	1.1
133.10124	0.5
135.11693	0.8
143.08531	0.7
144.10201	15.2
145.10272	0.7
147.11650	0.6
162.11247	6.2
184.07355	1.7
200.12833	1.1
218.13922	1.9
236.14931	100.0
237.15248	3.4
249.33366	0.4
267.15732	0.5
275.20010	0.4
311.25726	1.2
313.27295	1.1
339.28879	0.7
369.30063	0.6
371.73196	0.4
390.25034	0.6
412.26819	0.5
412.37680	1.1
426.28418	0.9
444.29492	2.5
456.36835	8.4
457.37128	0.7
474.37912	18.8
475.38116	1.6
476.33740	0.6
494.34760	2.6
503.37692	0.5
512.35852	2.1
526.36493	0.6
605.86694	0.5
628.47888	10.1
629.47876	0.7
682.52509	47.9
683.52759	5.3
732.57672	14.3
732.70575	0.7
733.58258	2.1
750.58734	48.7
751.59119	7.2
764.60339	9.7
765.60303	1.5
768.59851	4.2
769.59686	0.5
782.61285	5.4
783.61078	0.9
800.48523	0.6
800.62378	10.2
801.47375	0.5
801.62158	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.624
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	0.4
57.03438	5.7
57.07078	6.2
58.06602	38.1
58.09541	0.3
59.05001	0.4
59.06929	0.6
59.07383	9.7
60.08166	10.4
67.05509	5.9
69.03419	0.6
69.07063	3.5
69.84547	0.3
71.04970	0.9
71.08636	4.3
73.02912	1.1
75.04486	3.1
76.82767	0.3
79.05496	4.3
81.03411	0.5
81.07056	6.9
82.07382	0.3
83.04984	0.7
83.08627	2.6
84.08158	1.8
85.02906	3.0
85.10188	2.3
86.09709	0.9
87.04465	3.8
91.05482	3.5
93.05542	0.4
93.07049	3.7
95.04961	0.7
95.08602	4.7
97.06520	1.4
97.10150	1.6
99.04444	0.5
99.08087	0.7
100.11259	0.4
101.06042	0.3
102.05531	1.1
103.03931	0.7
105.05518	0.6
105.07021	2.4
107.08591	1.8
109.06544	0.4
109.10166	1.7
111.08085	0.8
113.06003	2.0
116.07098	0.5
116.10754	0.4
117.07059	0.7
119.08564	1.8
121.10116	1.1
123.08036	0.7
124.99985	0.4
130.08655	1.2
131.07043	1.4
131.08557	1.2
133.10124	1.0
135.08058	0.4
135.11703	1.0
144.10196	16.0
145.10213	0.5
147.11696	0.5
148.95621	0.3
149.09636	0.5
149.13264	0.6
151.11189	0.4
159.11652	0.5
161.13263	0.3
162.11264	5.9
165.12804	0.5
184.07364	1.3
200.12811	0.9
218.13908	1.4
236.14926	100.0
237.15288	4.1
269.17502	0.7
275.20129	1.0
290.15967	0.4
291.19461	0.7
307.18716	0.4
311.25720	2.2
313.27289	1.4
314.27664	0.4
349.23941	0.4
369.30020	0.7
412.26685	1.1
412.37674	1.0
426.28415	0.5
444.29510	1.8
456.30905	0.7
456.36844	8.0
457.36948	1.0
474.37894	14.8
475.38617	1.7
475.44757	0.3
476.33328	0.9
494.34869	2.2
503.36835	0.4
505.39212	1.6
506.38275	0.4
512.35962	1.6
585.45111	0.6
603.45538	0.6
662.59473	0.4
682.52502	41.5
683.52869	5.5
711.01007	0.3
732.57690	13.2
733.58093	2.3
750.58716	35.5
751.46558	0.4
751.59039	6.1
764.60315	9.6
765.59894	1.4
768.59979	2.6
769.59863	0.4
782.61340	4.4
783.60925	0.8
791.37213	0.4
800.62305	9.1
801.46021	0.7
801.62201	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.6242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	5.7
57.07077	6.5
57.30495	0.5
58.06603	40.3
59.07385	10.4
60.07888	0.7
60.08165	9.3
67.05507	7.8
69.07057	2.5
69.21017	1.1
69.21427	3.6
71.05006	0.9
71.08633	4.3
71.64934	0.5
73.02896	0.6
75.04475	2.8
79.05501	4.0
81.07060	6.3
83.04978	0.9
83.08620	2.3
84.08147	1.8
85.02885	2.1
85.10187	2.1
86.09721	2.6
87.04474	2.7
91.05468	2.0
93.07057	2.6
95.08610	4.3
97.06525	1.1
97.10155	1.2
102.05515	1.1
105.05474	0.8
105.07059	0.9
107.08581	1.6
109.06525	0.8
109.10122	2.7
113.06007	1.8
117.07032	0.6
117.77405	0.6
119.08585	1.5
121.10139	0.9
125.00008	1.5
130.08669	0.6
131.07054	2.1
131.08574	0.8
133.10182	1.0
133.44371	0.7
135.11729	0.9
144.09105	1.0
144.10197	15.9
162.11211	5.1
162.12173	0.5
184.07358	5.7
200.12830	1.0
218.13855	1.3
236.14931	100.0
237.15282	4.1
293.20920	1.0
311.25781	1.4
313.27411	1.3
316.69272	0.6
339.28973	0.8
369.29449	0.6
372.23810	2.0
390.24911	2.8
404.47324	0.5
412.37985	1.6
456.36829	7.6
474.31311	0.9
474.37909	17.9
475.38092	1.4
494.34589	2.3
512.35803	2.1
603.46033	0.7
628.47821	48.7
629.48547	5.2
682.52539	18.0
683.52307	1.8
732.57654	16.2
733.58136	2.8
750.58759	53.5
751.46570	0.7
751.58990	7.8
764.60443	10.4
765.60345	1.3
768.60071	4.3
782.61157	5.6
783.61444	0.9
800.62909	11.7
801.62433	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.2
57.07085	1.2
58.06593	0.7
58.86583	0.5
61.02929	5.2
64.05081	0.5
67.05517	4.2
69.03431	8.3
69.03777	0.7
69.07085	1.5
69.16271	3.9
71.04972	0.6
73.02903	3.7
79.05494	5.4
80.57168	0.5
81.03414	1.4
81.07054	4.3
81.07404	0.4
83.04983	0.8
83.08646	1.1
85.02908	3.6
87.04466	0.9
91.03945	2.6
91.05485	6.2
93.07043	6.5
95.04989	1.0
95.08597	3.7
97.02904	3.9
97.06548	0.8
101.02409	1.6
105.07026	4.8
107.08596	2.6
109.02901	0.9
109.10209	1.4
111.04479	0.5
111.74967	0.5
117.07045	1.4
119.08569	4.0
121.10189	2.1
125.00027	0.6
127.03957	1.6
129.05504	1.2
129.07040	1.4
130.38725	0.6
131.08612	2.0
133.10110	3.4
133.39087	0.5
135.08096	0.7
135.11734	1.7
143.08517	0.9
145.10172	1.2
146.04555	0.5
147.11745	1.8
149.09735	0.7
155.07072	0.8
157.10152	0.9
159.11719	1.1
161.13304	1.0
171.11685	1.2
184.07394	2.4
185.04301	1.2
213.16476	0.7
236.15050	1.0
243.08453	3.6
289.17868	0.8
301.09055	1.3
313.08936	1.0
313.27512	0.9
315.10651	1.5
369.15042	0.9
437.18066	1.1
465.21243	0.7
497.19955	0.9
507.25714	12.5
508.26062	1.0
535.28821	5.0
540.40204	0.7
579.28424	0.7
599.44836	0.6
607.31006	2.5
633.86096	0.7
706.46613	0.6
713.35016	1.9
752.29877	0.6
801.47522	100.0
802.47949	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.8
57.07064	0.7
58.06608	1.1
59.07401	0.5
59.30149	0.4
60.08156	0.7
61.02928	6.4
62.89083	0.3
65.03966	0.5
67.05506	6.8
69.03425	4.2
69.07061	2.1
69.24055	2.6
71.01363	1.0
71.04996	1.2
71.08636	1.0
73.02908	4.1
79.05486	7.3
79.05909	0.5
81.03422	2.6
81.07055	6.5
83.04977	1.0
83.08640	1.5
85.02903	6.0
85.03365	0.5
85.10189	0.5
86.09699	1.7
86.85587	0.4
87.04494	0.7
89.68615	0.4
91.03954	3.4
91.05479	4.6
93.07052	6.5
95.04982	1.2
95.08609	3.9
97.02892	5.7
97.06548	0.9
97.10202	0.4
99.04487	0.9
101.02376	2.0
103.03946	0.6
105.07037	2.8
107.05073	0.4
107.08585	2.6
109.02883	0.8
109.06521	1.0
109.10133	2.1
111.04430	0.7
112.85343	0.4
117.07044	1.1
119.08618	1.6
121.10139	2.4
123.11761	0.5
125.00063	1.4
127.03961	1.2
131.08597	1.2
132.81444	0.4
133.10175	1.6
135.11739	1.3
145.04947	0.6
145.10179	1.1
147.08022	0.4
159.11752	0.6
163.11206	0.6
184.07346	6.2
185.04280	0.7
192.11034	0.4
203.05295	0.5
209.11766	0.6
236.14957	3.3
237.15422	0.5
243.08400	2.2
259.09894	0.4
283.15356	1.0
283.68323	0.4
284.15887	0.5
307.22675	1.0
313.27554	1.3
314.27841	1.0
333.20325	3.6
352.96658	0.3
388.44080	0.5
491.26166	9.7
491.32755	0.7
492.26849	0.8
522.38507	0.8
534.77631	0.4
540.40039	1.2
551.28375	2.8
765.57123	0.4
783.58435	0.8
801.47522	100.0
802.47736	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	801.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	6.4
57.07073	1.6
58.06588	1.1
61.02927	1.4
67.05510	3.7
69.03429	10.7
69.07067	11.4
70.21410	3.0
71.05013	1.8
73.02905	0.9
77.83961	0.9
79.05501	3.1
79.86809	0.9
81.03436	2.0
81.07066	4.6
83.04984	8.7
83.08627	3.8
85.02926	3.6
86.09724	2.1
87.08122	1.8
91.05477	1.3
93.07057	2.6
95.04965	1.6
95.08614	2.2
97.06556	2.6
97.10173	23.5
99.04464	1.4
105.07040	1.0
107.08569	2.0
107.21092	0.9
108.08935	1.0
109.10162	1.7
110.24426	0.9
111.04448	11.3
111.11788	1.1
115.03968	1.2
121.10175	1.4
125.00008	2.6
125.09634	5.1
129.05453	6.9
135.11760	2.3
143.10666	1.2
147.06529	2.4
149.09668	0.9
153.12776	2.0
170.26080	1.0
183.09944	5.4
184.07355	7.1
185.08150	1.4
193.12152	0.9
203.09250	2.3
207.06348	1.8
209.07968	1.7
227.12807	1.8
236.14961	2.8
237.11203	1.1
267.08551	3.3
281.09991	5.4
293.13843	1.1
311.25995	0.9
312.26578	1.2
323.18213	1.2
349.23633	0.9
353.16040	1.5
367.17435	3.3
377.19385	1.5
395.20587	2.5
413.21265	0.9
441.21014	0.9
453.24612	1.0
460.33398	1.0
481.28479	1.0
483.29453	2.4
513.26770	4.5
527.28015	8.1
555.31384	15.3
586.44812	1.2
613.35297	1.4
641.39111	2.6
801.49530	100.0
802.49683	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04624	1.2
57.03436	12.1
57.07085	1.9
58.35035	1.4
59.05004	3.5
61.02913	4.2
65.03938	3.9
67.05502	59.8
69.03429	11.2
69.07067	39.6
71.01350	3.1
71.04982	8.7
73.02926	3.8
79.05491	57.9
81.03415	33.4
81.07052	52.3
83.01347	4.4
83.04987	19.1
83.08617	15.8
85.02898	10.0
85.06544	4.4
86.09707	5.9
91.05479	47.7
93.07040	44.0
95.04964	22.7
95.08604	26.5
97.02883	19.2
97.06521	13.4
97.10165	14.0
99.04468	3.6
99.08067	2.8
103.05462	3.5
105.04555	1.5
105.07026	29.6
107.04956	26.6
107.08591	30.3
107.42715	1.4
109.02891	3.8
109.06507	11.0
109.10159	19.1
111.04446	21.6
111.08083	6.2
113.02361	1.6
113.05992	2.2
115.05457	2.1
117.07006	20.1
119.04946	2.7
119.08587	22.6
121.06490	13.3
121.10142	15.7
123.04436	1.6
123.08067	11.1
125.00001	1.6
125.05991	5.7
125.09631	10.2
127.03922	4.3
128.06155	1.5
129.05562	2.0
129.06999	9.7
130.07784	3.2
131.08568	18.2
133.06505	4.3
133.10114	12.6
135.08044	8.4
135.11679	16.6
137.09613	6.5
142.07785	1.6
143.08569	5.2
145.06516	3.4
145.10127	24.3
146.10405	1.7
147.08069	9.1
147.11742	7.3
149.09615	6.7
149.13249	2.8
151.11209	4.1
153.12724	10.2
155.08543	3.0
157.10161	3.4
159.08052	2.2
159.11703	6.0
161.09613	4.5
161.13287	2.1
163.11182	31.1
164.11517	1.5
165.09076	2.9
167.14175	1.4
169.10156	3.2
171.11710	4.0
173.09636	6.5
173.11732	2.2
175.11180	2.8
177.12741	4.4
179.10687	1.7
181.12196	4.6
184.07304	9.8
185.13226	3.0
187.11131	1.5
189.11256	4.0
191.10629	9.6
195.11865	1.4
195.13808	4.1
205.12256	3.2
209.11714	11.1
211.13234	1.9
223.13264	38.0
224.13698	1.3
227.12787	14.0
229.14357	2.3
241.14348	25.5
243.08212	1.6
245.19025	1.8
249.14825	3.2
253.14326	4.2
257.18918	1.8
259.20618	2.7
263.20187	1.9
265.14301	10.9
267.15887	3.4
273.18469	13.3
275.20047	5.8
283.15393	22.2
284.15775	3.0
291.19531	100.0
292.19839	8.2
297.17032	8.3
315.18008	31.8
316.18176	2.3
347.22192	2.5
349.23730	5.8
365.23227	51.5
366.23648	3.1
467.18646	1.9
493.20682	1.8
493.27499	3.6
507.29059	2.9
541.34875	2.6
544.65210	1.6
555.33032	18.5
556.33112	2.7
571.35852	2.3
573.34216	49.1
574.34308	5.1
587.35687	4.7
605.36774	42.9
606.36859	5.0
803.41772	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.5669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	16.3
57.07076	40.5
58.06587	4.2
59.54458	1.3
60.08143	1.7
61.02926	3.8
61.52701	1.5
61.69408	1.4
65.03931	1.8
67.05505	55.3
69.03422	7.0
69.07066	27.1
71.04993	5.2
71.08633	31.1
73.02946	2.1
76.91742	1.3
79.05491	39.4
81.03425	10.1
81.07059	63.2
83.04978	11.6
83.08618	18.2
85.02901	7.8
85.06544	3.0
85.10175	16.8
91.04905	1.7
91.05477	33.3
93.07043	37.4
95.04959	9.8
95.08608	42.7
97.02881	5.4
97.06526	10.7
97.10170	8.8
98.22574	3.4
99.08089	3.2
99.47701	1.4
105.06378	2.4
105.07027	22.4
107.04951	6.5
107.08589	22.0
109.06490	2.2
109.10165	20.2
111.08099	4.1
115.05447	1.8
117.06997	13.5
119.08574	22.6
121.06525	4.5
121.10149	12.7
123.08088	3.3
123.11695	6.6
125.09598	4.8
127.03895	3.9
129.05496	2.9
129.06976	3.2
131.08557	13.4
133.10133	16.2
134.28224	1.4
135.08046	3.3
135.11633	10.6
137.09572	1.6
143.08582	3.4
145.05029	1.6
145.10121	11.9
147.11687	5.4
149.09615	8.9
149.13214	8.1
156.22311	1.9
157.10107	4.7
159.11699	7.7
161.13390	1.8
163.11191	4.6
165.12717	2.2
169.09996	1.7
171.11702	2.4
173.13297	4.1
175.17970	1.6
177.12772	3.1
183.11812	1.7
184.07321	4.3
185.13263	3.1
195.13779	4.5
217.15891	1.9
225.11140	1.5
227.12640	1.9
229.14297	3.4
229.19539	1.8
236.14967	6.8
237.15283	1.9
239.17848	1.8
239.23700	5.4
241.14429	3.0
247.20717	3.0
255.15935	12.8
257.18927	8.5
257.24689	1.6
267.16049	1.7
269.17468	28.4
275.19998	24.0
276.20383	2.9
291.19479	2.4
293.21048	2.7
296.73547	1.9
309.20703	2.3
313.27338	100.0
314.27625	5.4
349.23712	24.1
358.27744	1.5
367.24738	2.4
413.21613	2.8
483.36755	1.9
493.38889	15.1
505.38992	4.8
507.40469	75.9
508.40695	5.5
547.43768	7.0
587.46643	27.2
588.46509	2.8
605.47620	6.9
651.44653	1.8
676.27521	1.6
715.44971	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	803.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	4.3
59.05015	0.8
61.02917	4.9
61.41425	0.7
67.05508	9.7
69.03433	3.5
69.07082	4.0
70.95506	0.7
71.01364	0.8
71.05018	1.6
73.02932	2.4
79.05490	9.7
79.05908	0.8
80.05875	0.9
81.00826	0.6
81.03419	5.7
81.07062	9.2
82.07371	0.8
83.01342	1.1
83.05003	2.7
83.08641	2.9
85.02905	4.9
86.09739	0.9
87.04485	1.5
91.03979	2.5
91.05484	11.5
93.07060	9.4
94.07375	0.9
95.04979	3.7
95.08615	3.5
97.02918	4.9
97.06548	2.9
97.10203	1.8
99.04486	1.4
101.02409	2.2
102.41706	0.7
105.07036	6.0
107.04971	2.3
107.08578	4.5
108.08932	0.9
109.02925	1.2
109.06552	1.7
109.10133	3.8
111.04458	1.0
111.08092	1.1
112.63824	0.7
115.07539	0.8
117.07021	3.3
119.08579	5.6
121.06566	1.2
121.10156	2.5
123.08118	1.3
127.03979	1.3
128.06349	0.8
129.07050	2.5
131.08527	3.2
133.10127	3.6
134.10507	0.8
135.08093	1.4
135.11723	1.5
137.09653	1.1
143.08560	1.2
145.10112	3.2
147.08105	1.5
147.11699	2.0
149.09628	1.5
149.13315	0.9
151.11223	1.1
153.12793	1.1
157.10138	1.2
159.11725	1.3
161.09720	1.0
163.11191	3.7
169.10181	0.9
171.11737	1.0
173.11823	0.8
175.11183	0.9
184.07436	1.7
187.14879	0.8
209.11794	0.9
214.53210	0.7
223.13272	0.8
227.12801	1.3
229.14326	0.9
232.62379	0.8
243.08469	2.0
249.67580	0.7
253.14406	1.8
254.14667	0.7
257.19022	0.8
267.16122	0.7
275.20209	2.2
283.15430	3.5
291.19800	1.2
301.09146	0.7
316.18463	0.9
349.23941	0.9
365.23364	0.9
437.25635	1.3
438.25595	1.1
467.18820	4.0
529.01910	0.7
574.34467	1.5
577.29938	4.6
578.29956	0.9
599.64001	0.9
606.37201	1.2
803.41821	100.0
804.27698	0.9
804.42310	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	803.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.4
59.05015	0.4
60.84100	0.3
61.02932	5.1
65.03947	0.6
67.05507	5.2
69.03430	3.4
69.07083	1.0
70.43028	0.7
71.01362	0.9
71.05000	1.5
71.08638	0.9
71.29604	0.3
73.02917	3.6
74.35662	0.3
79.05497	5.1
81.03423	3.2
81.07059	4.4
83.01363	0.5
83.04986	2.0
83.08641	1.3
85.02907	5.6
91.03960	2.2
91.05481	5.5
93.07056	4.8
95.04980	1.4
95.08592	2.0
97.02895	4.5
97.06548	1.2
97.10190	0.6
99.04477	1.0
99.08143	0.4
101.02380	2.5
105.07040	4.4
107.04991	1.1
107.08607	2.4
109.02901	0.5
109.06528	1.3
109.10181	1.4
111.08100	0.4
115.03936	0.4
117.07003	2.9
119.08583	2.1
121.06532	0.9
121.10189	1.2
123.08091	1.3
123.11721	0.4
123.93413	0.3
127.03954	1.4
129.05504	0.4
129.07043	1.6
131.08598	2.2
133.06522	0.4
133.10139	1.3
135.08115	0.6
135.11754	1.0
137.09612	0.4
139.11212	0.4
141.07007	0.4
142.07788	0.4
143.08524	0.7
145.10115	2.2
147.08073	0.6
155.08557	0.5
157.10155	0.6
159.11763	0.6
161.09718	0.4
163.11192	2.2
171.11742	0.4
185.04288	0.4
209.11772	0.6
229.14346	0.4
243.08383	2.7
249.11156	0.6
275.20120	0.6
283.15469	1.4
307.50888	0.3
359.21997	2.1
415.24713	0.6
463.19702	0.7
467.18912	7.0
468.19592	0.6
529.97986	0.4
569.14984	0.3
576.36115	0.4
577.29749	6.8
577.38153	0.4
578.30133	0.5
607.35925	0.4
785.41113	1.3
803.41833	100.0
804.42151	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	804.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	17.6
57.07072	3.1
59.05006	5.0
61.02923	6.8
65.03947	5.5
67.01833	1.1
67.05505	70.4
68.05843	1.7
69.03429	8.1
69.07066	20.0
69.51607	7.6
71.01370	2.5
71.04996	19.3
73.02921	2.7
79.05146	1.1
79.05494	57.8
81.03419	26.5
81.07058	74.5
82.04155	1.4
82.07391	1.8
83.01344	9.7
83.04982	19.1
83.08616	23.2
85.02897	11.6
85.06549	5.1
87.04470	1.3
91.03976	2.6
91.05483	50.4
92.05859	1.4
93.07044	67.4
95.04970	20.7
95.08608	30.2
96.08976	1.3
97.02901	10.4
97.06532	25.4
97.10172	10.6
99.04435	5.9
99.08082	3.5
101.02463	1.4
103.05495	2.4
105.07027	33.1
105.07672	2.3
107.04955	21.4
107.08597	37.7
108.08920	1.3
109.02896	3.4
109.06527	19.3
109.10155	18.2
111.04456	7.4
111.08090	9.9
111.70088	1.4
113.06014	3.0
115.05465	2.4
117.07023	23.5
119.04919	1.8
119.08587	25.0
120.52242	1.2
121.06517	9.5
121.10140	19.9
123.04458	2.8
123.08064	13.0
123.11700	3.2
125.05990	3.0
125.09613	9.1
127.03918	4.3
127.07478	1.9
128.06229	3.5
129.05504	3.6
129.07034	7.2
130.07790	1.8
131.04951	2.0
131.08580	20.0
132.59969	1.1
133.06503	5.7
133.10138	15.1
135.08055	10.5
135.11694	19.3
137.09633	3.9
139.07600	1.9
141.06992	2.3
143.08545	8.4
145.06487	3.8
145.10120	29.6
147.08052	5.9
147.11673	6.7
149.06032	2.1
149.09589	8.1
149.13257	9.4
151.11212	2.1
153.09100	2.2
153.12782	3.9
155.08589	4.7
157.06564	1.7
157.10146	3.9
159.08031	2.8
159.11690	12.4
161.09656	5.1
161.13266	2.8
163.11182	34.7
164.11581	1.3
165.09201	1.8
169.10179	2.9
171.11673	2.5
173.09662	6.0
173.11742	5.1
173.13287	3.5
175.11090	2.2
177.12769	5.2
181.12263	5.7
183.11763	3.0
184.07385	3.6
185.13304	2.7
187.11092	1.9
189.11253	4.4
191.10748	4.6
192.01859	1.4
193.12244	1.6
195.13863	3.0
197.13338	2.0
207.10307	1.3
209.11697	10.7
211.13132	1.6
217.15953	1.9
227.12737	13.8
229.14352	12.3
233.15248	2.0
239.17934	2.6
249.14967	1.8
249.44962	1.4
257.19119	4.6
265.14310	2.3
267.15988	1.9
269.17441	6.4
273.18509	8.9
275.20053	19.4
279.15982	1.8
283.15396	75.3
284.15781	4.1
289.18088	2.1
291.19464	6.0
296.29355	1.2
297.17038	1.3
307.19232	1.6
307.22729	2.3
326.74451	1.4
331.22678	2.0
339.18005	3.5
347.22263	2.8
349.23798	12.4
353.15869	1.7
365.23279	3.4
381.26498	2.8
413.21625	8.6
437.25308	16.7
453.24777	2.2
459.27383	4.0
461.28900	1.7
477.28464	100.0
478.28778	8.3
505.27661	2.2
517.31635	4.7
531.29022	2.0
539.33545	3.9
552.05957	1.5
557.34741	23.4
558.35205	2.9
573.34003	4.0
589.37604	11.2
603.31293	1.8
621.32556	12.5
639.33984	1.6
805.36157	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	804.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	14.9
57.07068	1.4
59.05000	4.3
61.02929	3.5
64.16949	1.4
65.03955	1.6
65.55901	1.3
67.05506	56.4
69.03423	6.5
69.07066	20.5
71.01337	1.6
71.04984	13.0
73.02927	1.7
79.05493	54.2
81.03415	22.3
81.07053	59.8
81.99849	1.3
83.01348	9.8
83.04977	16.9
83.08624	18.0
85.02917	7.8
85.06552	4.1
87.04436	1.7
91.05479	38.3
92.05811	1.7
93.07046	53.9
95.04969	14.9
95.08607	22.4
97.02905	7.9
97.06523	21.4
97.07062	2.2
97.10152	6.2
99.04480	4.9
99.08041	1.6
103.05482	1.7
105.04547	1.4
105.07024	28.7
105.07679	2.2
107.04961	12.3
107.08587	32.0
109.02886	3.6
109.06509	11.3
109.10163	14.2
111.04461	4.0
111.08097	6.1
115.05485	3.0
115.07582	2.5
117.07025	19.2
119.08577	21.7
121.06481	8.1
121.10144	18.5
123.04440	1.6
123.08070	9.5
123.11700	3.0
125.06021	2.6
125.09645	7.2
127.03935	2.7
129.05492	3.5
129.07033	5.9
129.30333	1.5
131.04929	1.6
131.08565	15.0
133.06451	2.3
133.10135	14.2
135.08083	4.9
135.11693	16.4
137.09653	4.1
139.07501	1.7
143.08551	3.2
145.06474	2.7
145.10112	26.5
147.08078	3.8
147.11687	5.5
149.09570	7.1
149.13254	7.5
151.11192	2.4
153.09134	2.1
153.12729	1.9
155.08591	3.7
157.10144	3.5
159.08058	1.8
159.11690	8.5
161.13229	2.4
163.11188	25.5
164.11592	1.5
171.11646	1.4
173.09627	5.5
173.11790	3.3
173.13237	2.1
175.11220	1.6
177.12762	2.6
181.12279	3.3
184.07394	2.8
185.09544	1.6
185.13342	1.4
188.88971	1.7
189.09389	1.3
189.11234	4.1
189.12837	1.6
191.10677	3.9
193.12206	1.9
195.13847	2.4
209.11748	6.0
215.07773	1.4
219.13774	1.3
227.12752	10.7
229.14380	10.7
233.15543	1.7
249.15009	1.7
253.14349	2.7
257.19141	3.5
261.14926	1.6
267.15887	3.0
269.17548	3.6
273.18509	1.5
275.20078	15.6
283.15399	57.3
284.15729	2.6
289.18042	2.1
331.22623	2.6
339.17914	2.7
349.23813	11.6
381.26306	1.8
395.20584	2.2
413.21579	8.5
437.25302	15.4
459.27646	3.2
475.26788	2.4
477.28497	100.0
478.28833	9.2
501.28366	1.7
502.82684	1.5
539.33411	2.0
557.34766	21.6
558.35144	2.5
573.34967	2.0
575.35114	2.8
589.37531	8.7
603.32001	1.5
621.32635	11.7
639.32654	1.5
805.38849	2.8
808.57361	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	14.8
57.07080	5.6
58.06607	12.8
59.07377	3.5
60.08158	6.6
62.84358	2.1
65.03936	3.8
67.05504	52.4
69.03441	2.3
69.07066	23.9
71.04998	2.8
71.07374	2.8
71.29162	2.8
79.05496	42.0
79.64645	2.2
81.03438	4.4
81.07059	66.0
83.04999	3.8
83.08616	8.4
83.38104	2.3
85.02926	2.2
86.09707	26.7
91.05486	44.0
93.07051	41.6
95.04969	5.2
95.08060	2.8
95.08614	37.8
96.08983	2.3
97.06535	9.0
97.10169	3.9
99.08083	2.8
103.46096	2.2
103.98665	2.1
104.10745	4.0
105.07024	41.8
106.07382	2.1
107.04954	6.6
107.08606	24.6
109.06514	11.0
109.10159	15.1
111.08068	2.6
113.35374	2.1
117.07034	13.5
119.08575	30.1
121.06505	2.0
121.10124	12.0
123.95797	1.9
125.00008	18.8
129.06989	2.9
131.08574	19.8
133.10120	23.2
135.08017	3.1
135.11693	9.5
144.10143	2.7
145.10147	11.9
147.11751	10.1
149.09619	3.7
149.13284	4.3
159.11684	11.3
161.13283	3.0
173.13387	3.2
177.12762	2.5
179.14337	5.1
184.07338	84.1
219.17439	47.3
236.05061	2.3
236.14926	15.6
257.19028	2.7
275.20090	35.8
293.21124	2.5
298.98734	2.1
335.25793	77.1
336.26242	4.2
348.58920	2.3
349.23727	18.4
406.60849	2.3
590.39905	2.7
609.45129	100.0
610.45502	10.8
782.20477	2.7
806.52167	7.6
807.51892	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	806.5538
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	0.8
58.06358	0.2
58.06612	0.8
59.07387	0.2
60.08164	7.4
67.05505	0.9
69.07075	0.4
69.47447	0.2
71.07375	4.5
71.08595	0.2
73.85799	0.1
77.83662	0.2
79.05489	0.7
81.07057	0.9
82.07372	0.2
83.08639	0.2
86.09705	36.1
87.10027	0.8
91.05484	0.5
93.07047	0.5
95.08593	0.5
98.23336	0.5
98.98470	4.4
100.74800	0.1
104.10745	2.9
105.07020	0.6
107.08604	0.3
109.06532	0.2
109.10155	0.3
110.56237	0.2
119.08594	0.2
121.10087	0.2
125.00004	24.5
126.00338	0.2
131.08566	0.2
133.10115	0.2
143.01042	0.4
184.07343	100.0
185.07693	1.9
236.14960	0.6
273.18640	0.2
416.77673	0.2
650.43634	0.6
690.46313	0.7
702.26453	0.2
752.52069	0.3
770.53412	1.0
788.54333	1.2
789.53723	0.3
806.55780	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	5.8
65.69268	2.9
67.05505	41.3
69.03432	10.9
69.07069	100.0
71.29776	3.5
74.35361	3.0
79.05496	41.8
81.03416	6.0
81.07056	39.6
83.04967	8.5
83.08619	7.6
85.02868	2.5
86.09701	4.6
90.44533	2.6
91.04969	4.2
91.05484	43.9
93.07038	35.5
94.07384	2.8
95.01317	6.4
95.04957	11.2
95.08604	13.5
97.02891	6.5
97.06527	45.4
97.10189	13.2
99.08096	3.7
105.07024	28.8
107.04945	29.9
107.08598	22.5
109.06510	14.8
109.10172	5.5
117.07046	13.7
119.08588	17.1
121.06507	5.2
121.10165	15.6
123.08086	8.1
125.09608	6.1
129.07028	4.7
131.08578	34.3
133.06496	7.4
133.10124	21.6
135.08093	12.8
137.09573	3.9
143.08571	8.5
145.06563	3.7
145.10117	12.8
147.08029	7.4
147.11652	4.7
149.09613	34.2
150.32768	2.9
151.11179	14.8
159.08076	3.4
159.11690	6.1
161.09610	4.4
167.80043	3.2
171.10155	10.2
171.11534	3.6
173.13316	3.5
175.11180	4.8
177.09113	6.6
183.10193	11.7
183.46404	3.0
184.07344	14.8
189.11205	4.5
191.14279	4.6
201.16374	4.7
213.25546	2.9
222.49127	2.9
223.13274	16.4
227.12703	6.0
229.15813	4.1
247.16895	11.9
249.14854	4.2
265.18085	4.9
267.15961	3.0
273.18512	16.8
275.19974	6.7
290.04367	3.2
291.19510	75.1
292.19907	5.5
306.78232	3.0
321.20560	38.2
324.49289	3.5
347.21918	3.8
365.23251	53.5
366.23505	4.6
461.29044	15.7
473.29077	11.3
497.32535	3.2
513.32300	3.8
555.59601	2.9
591.04333	2.8
593.38489	3.2
611.39380	75.2
612.39703	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	808.5558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	13.0
57.07068	7.5
58.06602	7.4
59.04992	3.2
59.07380	3.3
61.47923	2.4
67.05511	40.2
69.03426	5.1
69.07069	29.2
71.04982	5.2
71.08640	2.8
79.05498	39.0
81.03416	11.5
81.07060	46.1
83.01344	7.8
83.04980	12.0
83.08624	21.1
85.02908	5.1
86.09725	3.9
91.05482	25.9
93.07046	47.7
93.72614	2.5
94.41819	2.6
95.04991	6.5
95.08611	28.7
97.06519	5.8
97.10162	10.4
98.23351	8.0
99.04470	4.1
105.07014	21.3
107.04962	7.7
107.08595	26.1
109.02888	4.0
109.06516	3.9
109.10177	13.1
111.04438	9.9
111.11687	5.7
117.07030	9.6
119.08568	15.2
121.06496	2.7
121.10161	20.3
123.08071	5.3
123.11748	4.5
129.07002	6.7
131.08578	8.4
133.10103	12.8
135.11682	18.9
143.08553	4.1
145.10127	14.1
147.11668	8.5
149.13293	5.9
149.24586	3.1
153.12741	3.3
159.11659	5.3
161.13161	3.9
163.11189	15.9
163.14825	3.0
184.07401	6.4
185.13239	3.6
191.10631	3.4
209.11795	7.9
227.12804	4.2
228.88985	3.2
233.20201	2.9
236.15001	12.3
241.19580	3.6
259.20587	8.5
283.12256	5.2
283.15390	100.0
284.15805	9.3
333.24149	9.7
335.25720	15.6
339.28940	68.3
340.29343	5.7
547.40106	40.5
548.39996	7.0
565.30231	5.9
611.46246	6.8
675.44775	3.0
729.95490	3.4
744.31805	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	808.5668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.2
57.73261	0.1
58.06593	2.5
59.07399	0.3
60.08163	6.8
67.05499	0.5
69.07050	0.3
70.06593	3.7
71.07374	3.7
71.08630	0.2
71.28398	0.2
74.40337	0.1
78.96727	0.1
79.05488	0.3
81.03410	0.2
81.07042	0.5
82.21152	0.1
86.09706	32.7
87.10028	0.6
91.05476	0.3
93.07032	0.2
95.08598	0.2
98.97849	0.3
98.98466	3.8
104.10741	2.5
125.00004	22.5
143.01086	0.3
183.14926	1.5
184.07341	100.0
185.07675	1.8
211.14438	1.3
236.14890	0.8
296.19659	1.4
365.27893	0.3
424.25317	0.6
432.87613	0.2
478.36401	0.3
496.33765	0.3
541.37274	0.7
563.41492	0.4
650.44122	1.6
651.44019	0.2
690.47357	1.4
754.53680	0.3
772.54871	1.4
773.52795	0.3
790.56213	1.7
791.55170	0.3
808.57111	1.6
809.57690	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
65.17326	1.6
67.05499	8.3
69.03418	3.9
69.06999	14.9
70.06557	1.5
73.02887	1.8
78.12839	1.5
79.05489	8.2
80.80375	1.7
81.03400	3.6
81.07029	5.9
83.04988	1.7
85.02877	4.2
85.06526	1.8
86.09686	1.7
91.05479	7.5
93.07034	4.3
95.04940	3.5
95.08580	3.7
97.02847	2.4
98.22511	2.8
105.06998	3.3
107.08609	1.9
109.10136	2.6
117.06939	1.9
119.08578	2.9
121.06525	1.4
121.10054	2.2
127.03828	1.7
133.10117	2.2
135.08047	2.1
175.11218	1.5
184.07338	3.0
243.08281	2.3
245.06923	3.0
317.05917	2.1
349.16946	2.3
387.14056	1.8
389.08398	2.8
401.15433	5.2
445.14047	3.0
471.16214	1.6
473.17880	1.7
483.15991	2.8
499.14648	2.2
513.17267	2.7
514.17780	2.4
529.24164	1.9
597.26959	11.2
598.26984	3.6
639.29645	2.6
651.90271	1.8
655.26563	2.3
681.28571	12.6
682.29303	1.9
723.29797	66.5
724.29932	9.5
777.39972	2.0
791.35016	2.0
809.36829	100.0
810.37006	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	809.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.2
57.51691	0.3
61.02933	5.6
67.05505	5.1
69.03426	2.3
69.03753	2.5
69.07069	2.2
71.04993	2.6
73.02917	3.6
79.05492	4.5
81.03423	2.8
81.07061	4.8
82.98957	0.4
83.01382	0.6
83.05012	1.1
83.08620	0.9
83.42549	0.4
85.02912	5.4
90.07470	0.4
91.03967	3.1
91.04430	0.3
91.05493	3.3
93.07046	4.5
95.04993	1.7
95.08585	2.1
97.02899	5.2
97.06568	1.2
97.10216	1.1
99.04488	0.8
101.02357	2.0
105.07019	2.0
107.04995	1.1
107.08598	2.5
109.02911	1.1
109.06548	0.8
109.10201	1.5
111.04533	0.6
111.08124	0.7
117.07057	1.2
119.08593	1.9
121.06528	0.6
121.10182	1.2
123.08076	0.8
123.43851	0.4
125.09700	1.2
127.03963	1.6
128.11206	0.5
131.08601	0.8
133.10179	1.0
135.08061	0.8
135.11742	1.7
137.09634	0.5
143.70934	0.4
145.10187	1.6
159.11795	0.7
161.13266	0.3
163.11176	2.2
181.12260	0.4
185.04286	1.4
189.05005	0.5
243.08525	2.7
283.15610	0.7
301.09100	1.2
347.22739	0.5
365.22980	2.3
373.11157	0.9
385.18405	0.6
388.32791	0.4
421.25580	1.0
429.17493	0.6
439.20007	0.6
467.18948	9.4
468.19833	0.9
469.20511	0.7
497.19757	0.5
539.20892	0.6
574.31757	0.4
581.29510	1.3
583.30920	6.2
584.32208	0.6
609.28693	0.8
639.29938	0.9
665.32288	0.7
707.32782	3.0
708.33636	0.7
763.35992	0.5
771.12390	0.5
791.37695	0.9
809.42816	100.0
810.43054	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	809.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.3
59.04992	0.5
61.02929	5.8
61.31996	0.3
67.05505	5.1
69.03427	3.8
69.03777	0.4
69.07069	2.6
69.97077	0.3
71.01380	0.6
71.04990	3.2
73.00151	0.3
73.02915	4.7
73.03297	0.3
74.36148	0.3
79.05496	5.3
81.03420	4.0
81.07061	5.0
81.07517	0.4
82.07394	0.4
83.01336	0.5
83.04990	1.6
83.08632	1.7
85.02910	5.3
85.06568	0.4
87.04474	0.6
91.03947	3.7
91.05483	3.4
93.07043	4.9
95.04992	1.5
95.08604	2.4
97.02892	5.4
97.06525	1.6
97.10191	1.4
98.23449	0.6
99.04487	1.1
101.02403	1.9
105.07028	2.7
107.04994	1.1
107.08591	3.1
109.02902	1.2
109.06543	1.1
109.10173	1.2
111.08104	0.6
115.03957	0.7
115.05502	0.6
117.06995	1.6
117.23959	0.3
119.08571	1.8
121.06549	0.7
121.10172	1.1
123.08126	0.9
125.06088	0.4
125.09670	1.0
127.03938	1.6
131.08617	1.5
133.10168	0.9
135.08110	0.5
135.11707	1.6
137.09657	0.4
145.10132	1.9
147.11795	0.4
149.09570	0.4
157.10158	0.6
159.11758	0.8
163.11177	2.1
181.12355	0.5
185.04283	0.8
209.11751	0.5
209.51431	0.4
227.12823	0.5
243.08356	2.9
249.11070	0.5
251.29701	0.4
283.15570	0.7
283.18857	0.3
301.09030	0.7
365.23007	2.0
421.25909	0.5
467.18906	9.6
468.19452	0.7
485.23499	0.5
518.03583	0.4
583.30933	7.2
584.30798	0.5
665.31207	2.6
666.32104	0.6
707.32831	0.4
763.36316	0.8
809.42853	100.0
810.43195	16.1
828.27625	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.0
61.02928	6.5
67.05509	6.5
69.03427	4.7
69.07067	3.1
71.04977	2.3
73.02909	4.0
79.05487	7.0
81.03407	3.9
81.07057	5.3
83.01255	0.6
83.04980	2.5
83.08610	1.8
85.02906	7.0
91.03954	3.8
91.05470	5.4
93.07038	5.2
95.04974	1.9
95.08617	2.8
97.02892	7.2
97.06526	2.3
97.10162	1.0
99.04452	1.2
101.02361	2.0
103.03923	0.9
105.07010	3.2
107.05011	0.6
107.08618	2.7
109.02852	1.6
109.06496	1.2
109.10162	1.3
111.08107	0.8
113.48769	0.6
117.07012	2.2
119.08594	1.6
121.06513	0.8
121.10128	2.1
123.08028	0.7
125.09612	0.8
127.03905	1.9
131.08554	2.0
133.10114	1.3
135.08118	0.6
135.11656	1.5
137.09634	0.7
145.04855	0.7
145.10115	2.2
147.08063	0.6
147.11694	1.0
149.09680	0.7
159.11699	1.1
163.07547	0.6
163.11218	3.7
177.12613	0.6
184.07376	1.1
185.04129	1.4
203.05302	0.7
209.11565	0.6
227.12874	0.9
243.08344	3.8
249.11081	1.3
275.13107	0.6
283.15350	1.0
301.08994	2.1
305.13809	0.9
307.40912	0.7
315.10483	1.1
365.22952	3.0
373.11121	1.4
385.18329	1.1
413.17453	0.7
439.19293	1.3
467.18936	10.7
468.18655	1.1
497.19928	1.2
501.21387	0.7
525.23816	0.8
581.29028	2.4
583.30981	6.1
665.31750	3.3
666.31262	0.9
707.32739	5.0
708.31824	1.1
712.28900	1.0
733.34430	0.7
763.36481	0.7
791.37207	2.6
809.42737	100.0
810.43042	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	15.0
57.07082	7.5
65.03932	8.3
67.05507	74.6
69.03439	15.3
69.07066	42.0
69.79215	3.4
71.04982	8.9
73.84005	2.8
76.20147	3.1
77.03976	3.4
79.05495	83.3
80.99986	3.3
81.03420	15.7
81.07055	60.3
83.04992	9.5
83.08626	20.0
85.02912	5.1
85.06538	7.0
86.09701	12.1
89.41622	3.1
91.05482	92.9
91.06011	6.5
93.07047	70.8
95.04977	14.8
95.08604	51.8
97.02895	9.9
97.06537	12.5
97.10172	15.1
99.08059	4.4
103.05453	7.4
105.07027	100.0
107.04978	15.7
107.08595	40.5
109.06509	8.2
109.10162	18.8
111.04418	3.4
112.17051	3.1
115.05455	4.0
117.07017	32.2
119.08575	66.3
121.06493	6.1
121.10129	27.7
123.08073	4.6
123.11726	6.4
125.00008	5.9
125.09615	19.7
128.06224	5.7
129.07011	32.5
130.07826	4.7
131.08563	36.8
133.06468	6.5
133.10133	61.0
135.08058	9.9
135.11682	13.9
137.09625	5.3
141.07010	7.4
142.07800	6.3
143.08562	21.2
145.10124	38.1
147.08109	6.1
147.11685	56.3
149.09642	9.7
153.09140	3.6
155.08606	6.8
157.10143	25.2
159.11722	15.0
161.09612	6.1
161.13239	7.2
163.11235	5.3
169.10120	10.7
171.11713	22.7
173.13313	9.4
175.11243	4.8
183.11707	8.8
184.07350	23.9
185.13214	9.0
187.11270	5.6
187.14873	6.9
189.11221	11.2
189.16461	5.2
197.13264	4.9
201.16501	7.0
203.17955	10.0
211.14897	5.7
213.16393	43.6
215.12627	6.4
215.17944	4.3
223.13297	17.0
227.12825	13.5
229.15767	3.6
231.17429	66.8
239.17921	3.6
273.18539	9.9
275.20035	5.9
289.18152	6.3
291.19528	66.6
305.21072	35.9
307.22672	10.6
309.32144	3.3
311.25787	8.1
351.26904	4.9
365.23181	33.3
451.33908	6.6
451.83249	5.0
497.32407	7.7
515.33698	12.1
540.47327	3.3
577.38806	7.4
577.47931	4.0
595.39886	35.1
596.39941	6.9
613.40851	6.7
811.42188	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	11.0
57.06802	1.3
57.07076	21.1
58.06602	1.4
61.02917	8.7
65.03934	0.7
65.09337	0.7
67.05502	24.1
67.78879	0.6
69.03411	2.0
69.07068	11.5
71.04990	0.9
71.08243	1.1
71.08627	15.9
71.29327	0.8
73.02909	3.5
76.12699	0.6
77.55414	0.7
79.05490	7.8
81.03412	2.8
81.07056	14.7
82.93164	0.7
83.04991	1.5
83.08617	6.8
85.02908	9.3
85.06511	1.4
85.10182	9.3
86.09695	2.2
89.06031	1.0
91.03942	5.7
91.05474	5.2
93.07036	8.9
94.51939	0.7
95.04957	1.4
95.08602	100.0
96.08954	2.5
97.02888	4.6
97.06522	5.0
97.10162	3.9
99.04474	0.9
103.03983	0.8
105.04546	0.8
105.07041	3.4
107.04919	0.8
107.08595	3.0
109.06532	1.2
109.10149	6.3
111.11663	0.9
117.06971	1.0
119.08601	2.7
121.06498	0.9
121.10150	2.0
123.08064	4.1
123.11686	1.8
125.00024	1.0
125.09657	0.7
126.47493	0.8
127.03918	1.9
129.07036	1.1
131.08578	1.9
132.24164	0.7
133.10112	2.3
135.08038	1.2
135.11688	1.5
137.09628	0.8
138.82555	0.7
141.09102	4.7
144.10220	1.0
145.04967	3.1
145.10139	1.4
147.11665	1.4
149.13129	0.9
159.10173	11.4
160.10576	0.8
161.09575	0.9
163.06068	3.4
169.10280	0.7
184.07361	5.4
199.14851	1.0
215.12782	58.3
216.13162	2.3
236.15015	3.5
239.23769	1.7
257.24689	1.6
307.22586	1.9
309.24484	0.9
312.64725	0.8
313.27335	63.7
314.27771	4.3
333.57104	0.9
335.25784	2.0
453.35721	75.0
454.36230	6.0
489.28000	0.7
517.34357	0.7
597.41064	1.7
651.99329	0.9
813.42029	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	18.5
57.07063	7.6
65.03934	4.8
67.05505	73.6
69.03423	10.3
69.07069	34.0
69.71162	14.0
70.06583	3.0
71.04985	9.7
71.08625	7.9
73.02914	4.8
79.05493	77.3
80.05827	3.3
80.28707	4.2
81.03434	15.7
81.07049	69.4
83.04969	14.3
83.08622	17.2
85.02905	6.5
85.06532	6.3
86.09694	8.7
91.05482	100.0
93.07043	75.0
95.05006	18.0
95.08605	55.1
97.02903	3.2
97.06540	16.0
97.10172	8.9
99.08089	6.9
103.05480	4.6
105.04514	4.7
105.07027	83.8
107.04955	13.8
107.08584	40.1
108.08907	3.5
109.06511	8.4
109.10132	17.0
111.08094	8.3
115.05498	3.4
117.07031	35.0
119.08582	62.4
121.06541	6.8
121.10130	29.3
123.11742	6.2
125.09617	5.6
127.03873	3.7
128.06200	8.5
129.05476	4.9
129.07014	30.4
131.08572	40.3
133.06485	4.6
133.09248	2.3
133.10132	57.1
135.08035	7.4
135.11702	19.9
135.77312	2.7
137.09546	4.2
137.13292	3.3
141.06985	12.2
142.07741	5.4
143.08549	24.7
145.10136	34.2
147.08058	6.4
147.11674	35.8
149.09607	10.4
149.13222	7.9
151.11183	5.3
155.08537	9.7
157.10106	25.7
159.11694	16.5
161.09627	6.6
161.13264	8.4
163.11192	7.3
167.08592	4.0
169.10081	10.4
171.11671	30.3
173.11723	3.7
173.13179	7.1
175.11243	4.2
177.12744	3.8
181.10129	6.8
183.11688	13.5
184.07323	17.4
185.13283	12.1
187.11195	5.3
187.14851	7.6
189.12793	4.0
189.16356	3.0
195.11743	6.1
195.13782	3.9
197.13242	7.3
199.14847	6.8
203.14255	3.7
203.17958	9.9
209.13307	6.8
211.14833	4.6
213.16356	34.9
214.16710	3.1
215.17961	3.8
231.17418	40.0
237.16457	3.7
239.17868	4.7
255.15906	8.6
269.17447	11.0
275.20056	8.2
283.20602	3.2
305.21198	18.1
307.22821	4.5
349.23608	5.7
366.86511	3.4
407.29572	3.6
409.30554	3.2
413.21521	3.4
485.32538	12.6
487.34460	3.4
499.34204	18.3
579.40918	17.1
597.41345	19.9
679.85498	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	813.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	1.5
69.03410	2.0
69.07039	0.6
69.37727	1.6
69.38131	1.3
79.05486	1.6
80.05022	5.0
81.03397	2.0
82.06571	1.1
83.04957	0.9
85.02900	4.6
86.06046	0.6
91.05487	3.5
92.13637	0.6
93.07040	5.6
94.06557	5.9
95.04957	1.1
95.07349	6.5
96.07552	0.9
96.08132	10.9
97.02876	1.1
97.06521	1.7
103.05484	1.2
105.07014	0.6
106.00452	0.6
106.06527	1.5
107.04944	0.7
107.07335	2.8
108.08110	8.4
109.08889	0.6
110.09677	18.7
119.04959	1.4
120.07229	0.9
120.08100	17.3
120.08926	1.1
121.06512	1.1
121.08879	1.2
122.06028	2.4
122.09657	7.3
123.06872	1.3
124.07608	0.8
127.03885	0.8
130.04974	0.8
134.05971	0.6
136.07587	3.8
138.09134	100.0
139.09473	3.3
146.09396	0.6
147.04408	5.2
152.07031	1.0
162.05568	0.6
164.07071	5.6
166.08649	2.2
174.09183	1.3
177.06650	1.0
178.08682	0.5
180.06532	1.5
180.10240	1.3
181.09700	3.7
182.08270	1.0
191.08170	2.8
198.07600	0.7
202.08640	1.8
203.08115	1.4
204.06609	0.7
210.07603	4.3
211.07961	1.5
217.09717	0.7
227.11861	0.6
230.08156	2.5
245.09180	1.4
248.09248	1.5
261.08578	0.8
263.10278	0.7
265.11734	0.6
272.09143	1.4
278.19421	0.5
287.10233	1.2
289.98831	0.5
300.14386	2.3
307.12808	2.5
406.17758	1.1
452.18259	3.0
470.19223	9.5
471.19748	0.9
503.59470	0.6
571.25439	1.3
580.87402	0.6
589.18494	0.9
589.26685	10.2
590.26837	1.5
607.27362	4.5
608.27722	0.9
615.24640	3.3
616.25159	0.7
633.25421	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	1.5
69.03410	2.0
69.07039	0.6
69.37727	1.6
69.38131	1.3
79.05486	1.6
80.05022	5.0
81.03397	2.0
82.06571	1.1
83.04957	0.9
85.02900	4.6
86.06046	0.6
91.05487	3.5
92.13637	0.6
93.07040	5.6
94.06557	5.9
95.04957	1.1
95.07349	6.5
96.07552	0.9
96.08132	10.9
97.02876	1.1
97.06521	1.7
103.05484	1.2
105.07014	0.6
106.00452	0.6
106.06527	1.5
107.04944	0.7
107.07335	2.8
108.08110	8.4
109.08889	0.6
110.09677	18.7
119.04959	1.4
120.07229	0.9
120.08100	17.3
120.08926	1.1
121.06512	1.1
121.08879	1.2
122.06028	2.4
122.09657	7.3
123.06872	1.3
124.07608	0.8
127.03885	0.8
130.04974	0.8
134.05971	0.6
136.07587	3.8
138.09134	100.0
139.09473	3.3
146.09396	0.6
147.04408	5.2
152.07031	1.0
162.05568	0.6
164.07071	5.6
166.08649	2.2
174.09183	1.3
177.06650	1.0
178.08682	0.5
180.06532	1.5
180.10240	1.3
181.09700	3.7
182.08270	1.0
191.08170	2.8
198.07600	0.7
202.08640	1.8
203.08115	1.4
204.06609	0.7
210.07603	4.3
211.07961	1.5
217.09717	0.7
227.11861	0.6
230.08156	2.5
245.09180	1.4
248.09248	1.5
261.08578	0.8
263.10278	0.7
265.11734	0.6
272.09143	1.4
278.19421	0.5
287.10233	1.2
289.98831	0.5
300.14386	2.3
307.12808	2.5
406.17758	1.1
452.18259	3.0
470.19223	9.5
471.19748	0.9
503.59470	0.6
571.25439	1.3
580.87402	0.6
589.18494	0.9
589.26685	10.2
590.26837	1.5
607.27362	4.5
608.27722	0.9
615.24640	3.3
616.25159	0.7
633.25421	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4908
Annotation	Glabrin C
Peak:m/z	Relative Intensity
67.05499	1.7
68.99404	11.6
86.09708	3.8
92.23388	1.3
98.22635	2.5
125.00019	1.8
184.07375	9.4
236.14998	1.4
535.26660	2.4
813.49109	100.0
814.49396	14.7
847.81281	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53660	1.5
64.98412	2.0
69.57325	5.4
69.57733	4.3
73.15218	1.9
94.95454	1.8
97.87830	1.8
141.54330	1.7
184.07387	7.6
186.91643	1.9
189.34886	1.8
197.49400	1.9
283.71799	2.4
390.17523	2.0
647.07349	2.1
813.49048	100.0
814.49237	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	816.5744
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.4
57.07059	0.5
58.06600	1.2
59.07381	0.4
60.07892	0.5
60.08170	7.1
67.05500	0.9
69.07072	0.4
71.07375	5.0
71.08610	0.4
79.05492	0.9
81.03416	0.4
81.07030	0.9
83.04984	0.5
83.08632	0.4
86.09711	34.3
87.10043	0.6
91.05481	0.5
93.07029	0.9
95.08598	1.0
98.23368	0.6
98.98466	5.8
104.10765	3.0
105.07018	0.7
109.10172	0.6
121.10202	0.3
125.00010	23.5
133.10104	0.3
144.10228	0.3
178.89299	0.4
184.07355	100.0
185.07689	3.0
236.14980	1.4
253.14333	0.6
313.27441	1.0
331.42062	0.3
400.00620	0.3
404.96127	0.4
590.41437	0.5
619.45886	0.4
716.48444	0.8
798.56427	0.9
816.57831	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.7
59.04987	1.0
61.02924	3.9
62.47479	0.6
65.03943	0.8
67.05510	17.5
69.02617	3.0
69.03043	2.2
69.03432	2.8
69.07077	4.8
71.04997	1.6
73.02927	0.8
74.45767	0.6
79.05495	17.9
81.03399	2.3
81.07062	15.3
83.04999	3.6
83.08617	10.4
85.02904	3.8
85.06535	1.2
91.03960	2.4
91.05478	14.9
93.07053	8.5
94.12725	0.7
95.04979	2.7
95.08609	5.5
97.02889	2.7
97.06519	1.4
97.09538	1.0
97.10168	20.9
97.22624	0.7
99.04445	1.1
103.05462	6.4
105.03415	0.8
105.07030	13.7
107.04951	3.1
107.08596	10.0
109.06513	2.4
109.10150	3.6
111.08091	2.0
115.05447	3.7
117.07018	26.4
119.04964	1.0
119.08580	9.7
121.06516	2.3
121.10138	3.6
123.08038	1.9
125.09628	19.5
127.03885	1.0
128.06252	2.4
129.07008	11.4
130.07436	0.7
131.05002	1.0
131.08565	17.7
133.06491	4.8
133.10150	2.4
135.08069	4.2
135.11694	1.1
137.05991	0.9
137.09642	0.6
139.40878	0.7
141.07005	4.8
143.08574	7.2
145.04951	1.3
145.06491	6.1
145.10126	6.4
147.08046	2.2
147.11670	2.0
149.09621	2.4
153.01210	0.8
153.09135	2.0
155.08562	6.9
157.06477	2.6
157.10143	3.1
159.08046	2.4
159.11736	2.0
160.40561	0.7
161.05992	1.0
163.06024	1.0
163.11249	1.1
167.08618	2.4
168.09354	1.2
169.06506	0.7
169.10106	5.3
171.08012	1.3
171.10304	1.0
171.11732	3.0
173.09613	1.9
173.13222	1.3
175.11220	0.8
179.08612	1.0
181.10136	1.8
182.10980	0.7
183.08067	0.8
183.11713	1.0
185.09576	1.2
185.13220	1.1
187.11211	0.8
187.14810	5.9
189.11201	9.0
195.11679	1.7
197.13248	7.1
199.03871	0.8
199.11247	1.1
207.11803	0.8
209.13257	0.9
211.14836	0.9
213.12819	1.2
215.14308	25.3
216.14709	1.2
219.13783	0.8
221.13278	1.5
223.11218	1.0
225.12750	0.8
227.12755	15.3
227.14761	1.1
228.13040	1.3
231.13811	1.0
233.15379	0.9
235.14761	0.8
241.12219	1.4
245.13797	1.1
251.14252	0.8
253.15927	1.0
255.13811	0.9
259.13364	1.1
271.16833	2.3
283.15265	3.5
339.23184	2.2
349.21429	4.8
352.85025	0.8
357.24240	0.8
367.22708	8.7
385.23624	6.1
386.24380	0.7
395.16913	0.9
403.24887	2.1
414.08875	0.7
431.27545	0.8
441.26385	45.5
442.26547	3.8
459.27420	100.0
460.27707	10.4
477.28442	11.2
478.29129	0.8
478.70715	0.8
567.30151	0.7
603.30505	1.7
787.30414	1.1
806.30676	0.7
819.34033	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.5773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	12.4
57.07076	6.0
61.02929	2.8
65.03948	6.3
65.31049	1.6
67.05509	65.9
68.05849	2.3
69.03427	2.1
69.07069	18.1
70.94691	2.3
70.95048	2.7
71.04997	2.4
79.05498	53.6
79.67808	1.7
81.07058	58.6
83.05005	2.4
83.08632	9.7
85.02906	2.3
85.06547	6.1
86.09709	6.8
89.74682	1.9
91.05485	58.6
93.07050	48.1
93.32906	1.4
95.04961	5.1
95.08615	46.4
97.02898	3.5
97.06548	4.1
97.10146	4.5
105.04544	2.8
105.06376	3.1
105.07042	37.6
105.07748	2.1
106.48007	1.6
107.08596	24.0
107.88136	1.6
109.06493	2.8
109.10162	19.7
111.08095	2.8
113.60548	1.7
115.05453	3.1
117.07021	15.6
119.08590	31.2
119.09361	3.2
121.10141	25.8
123.08081	1.9
123.11729	7.2
125.00016	2.4
125.09621	2.5
128.06197	2.4
129.05498	3.5
129.07001	10.8
131.08578	23.3
133.10130	23.7
134.72594	1.7
135.08080	2.5
135.11688	11.3
137.13275	2.8
143.08589	7.0
145.10123	14.1
147.11749	10.5
149.09586	3.6
149.13277	4.6
155.08554	2.4
157.10112	8.3
159.11659	8.1
161.09608	2.1
161.13287	7.9
163.14850	5.4
166.96896	1.8
169.10103	1.6
171.11717	12.3
173.13338	8.2
175.11145	2.4
175.14845	4.4
177.16428	2.4
183.11708	3.6
184.07346	18.1
185.13269	6.0
187.14882	5.8
189.12775	2.7
189.16373	7.1
189.61482	2.0
199.14825	5.3
201.16367	5.6
203.17952	20.5
213.16467	4.3
227.18073	2.1
243.21104	3.6
259.20596	2.9
259.24124	2.7
261.22162	7.9
269.22595	19.5
271.24445	2.4
285.22189	3.4
287.23724	18.6
288.24057	2.6
335.25809	100.0
336.26169	7.1
337.27390	2.8
361.27356	17.4
363.29132	2.5
535.59662	1.8
621.48590	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	820.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.9
58.06598	7.0
59.07395	3.5
60.08172	2.9
65.03927	3.5
67.05505	35.1
69.07068	27.2
71.05003	2.0
71.08642	3.1
71.29679	3.9
79.05493	28.6
81.03423	8.8
81.07055	39.2
83.04990	4.5
83.08615	7.2
85.06563	2.9
85.28064	1.7
86.09706	14.6
89.87299	1.9
91.05478	45.8
93.07045	24.2
95.01330	6.9
95.04966	8.7
95.08602	27.1
97.06532	49.7
97.10170	2.7
98.98584	1.7
99.08107	2.0
105.07026	54.1
107.04938	18.2
107.08591	14.0
109.06512	4.6
109.10166	7.0
111.08112	1.8
117.07003	12.5
119.08589	25.6
121.06477	2.0
121.10157	8.4
123.08083	4.0
125.00016	9.8
129.07053	2.7
130.07860	2.5
131.08571	17.7
133.10124	27.9
135.08041	2.7
135.11694	6.9
137.09639	2.1
143.08566	3.6
145.10078	12.7
147.11691	8.2
149.09634	7.9
149.13309	2.0
153.27588	1.7
159.11705	9.3
161.13280	5.8
163.11211	5.4
165.09161	2.2
171.11638	2.8
173.13266	3.2
177.12782	3.7
179.14276	12.0
183.11755	3.2
184.07355	41.4
187.11118	2.6
197.13338	2.7
236.14920	13.2
247.20523	2.3
257.18997	5.2
275.20062	72.7
276.20352	3.2
291.16599	2.0
293.21103	3.9
311.25601	2.7
331.22681	2.4
349.23718	48.3
350.23962	3.7
379.27078	2.1
623.43030	100.0
624.43463	17.4
641.43634	2.7
770.54865	3.8
802.54126	2.3
820.46179	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	820.5715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.0
57.07068	2.5
58.06590	0.7
60.08169	6.8
60.61875	0.5
67.05510	5.5
69.07053	2.1
71.07361	3.9
71.08616	1.8
77.85391	0.4
79.05485	3.5
81.03394	0.5
81.07052	5.2
83.08616	2.1
85.06560	0.5
85.10181	0.6
86.09707	33.3
87.10034	0.7
91.05469	2.9
93.07062	3.3
95.04980	0.6
95.08608	3.4
97.06538	0.5
97.10162	1.5
98.98479	4.3
104.10751	3.0
105.07023	1.5
107.05014	0.5
107.08598	1.9
109.10172	2.6
117.07024	1.0
119.08582	6.8
121.10120	1.3
125.00002	23.7
125.09600	0.7
129.06931	0.6
131.08551	1.1
133.10127	1.1
135.08026	0.9
145.10123	1.1
147.11691	0.7
149.13208	0.8
157.10104	0.7
159.08060	1.8
169.10326	0.6
171.11629	0.5
184.07344	100.0
185.07716	1.5
197.30797	0.5
227.12686	1.0
229.14333	1.8
269.17532	0.7
271.16943	0.7
275.19940	0.8
289.17944	1.0
313.27386	4.2
322.65393	0.5
335.25800	3.0
349.23782	1.0
363.21841	1.0
367.24652	0.8
371.44644	0.5
467.37128	1.3
507.40494	1.6
587.46490	1.1
593.40118	0.7
594.40503	2.4
605.47913	0.8
623.43158	3.6
704.48157	1.6
770.52057	1.3
820.45209	1.2
820.58228	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5931
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	29.0
69.13239	100.0
69.17815	13.0
79.05495	25.1
81.07053	35.1
86.09708	14.8
91.05490	19.0
93.07053	26.4
95.08615	39.7
98.32814	11.7
109.10213	15.6
144.17928	10.7
145.10208	15.1
149.19785	11.7
160.15016	14.9
184.07358	35.5
283.42935	14.6
335.25723	75.4
514.15698	12.8
761.43408	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	822.412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	9.7
57.07067	1.1
59.04995	1.9
61.02924	5.4
61.98330	0.6
65.03918	1.0
67.05508	25.6
69.03424	2.8
69.06734	0.7
69.07074	7.8
71.01358	2.5
71.04994	3.2
73.02924	2.7
79.05497	28.4
81.03417	10.6
81.07057	16.2
83.01356	3.6
83.04985	10.2
83.08621	6.5
85.02916	8.0
85.06553	2.1
91.03968	4.2
91.04913	0.6
91.05488	15.3
93.07046	31.5
94.07374	0.7
95.04969	5.6
95.08602	7.4
97.02881	5.1
97.06538	7.6
97.10172	6.4
98.23495	1.4
99.04465	2.4
99.08086	1.2
105.07036	5.6
107.04974	6.4
107.08597	21.7
109.02895	1.0
109.06526	4.2
109.10175	5.2
111.04482	1.4
111.08088	1.5
114.84893	0.6
117.07001	6.7
119.08577	7.5
121.06507	2.5
121.10131	6.5
123.08046	5.0
125.06000	1.2
125.09631	1.5
127.03913	1.6
129.06987	1.0
130.07774	1.0
131.04865	0.7
131.08583	2.1
133.10127	3.2
135.08051	2.4
135.11697	29.9
137.09631	1.4
139.11461	0.7
145.05002	1.2
145.06458	1.3
145.10118	11.3
146.10435	0.6
147.08093	1.7
153.09032	0.8
153.12741	3.0
155.08607	1.1
163.05965	0.7
163.11192	17.0
164.11513	0.9
173.09601	1.5
174.28938	0.7
181.12234	6.2
184.07518	0.6
191.10727	2.3
195.70689	0.7
199.13283	1.0
202.81886	0.6
209.11705	4.0
227.12804	2.5
255.15926	47.6
256.16263	2.2
265.14337	1.8
275.20511	0.7
283.15411	33.9
284.15787	2.3
289.17944	0.9
305.68823	0.8
340.97968	0.9
445.25851	3.8
463.26913	100.0
464.27347	8.9
655.69226	0.9
691.18347	0.7
823.37860	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4841
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03179	0.5
57.03433	3.3
57.07077	100.0
58.06596	1.2
58.07408	1.5
60.08168	2.2
61.02927	0.8
65.03942	1.3
67.05508	24.0
69.03432	8.4
69.07071	7.0
69.81226	1.2
69.81619	1.4
69.96090	0.6
71.05006	2.2
71.07392	0.9
71.08643	1.2
73.02950	0.8
79.05494	17.3
81.03416	10.5
81.07058	20.8
81.07526	1.1
83.04982	4.9
83.08602	2.6
85.02902	4.2
86.09710	7.7
91.05485	14.3
91.06013	1.0
93.07045	19.0
93.07632	1.1
95.04976	3.9
95.08608	13.2
97.02897	4.0
97.06551	1.8
97.10163	2.7
98.23276	0.8
99.04466	1.9
99.08126	1.5
99.11735	28.0
105.07030	11.4
107.04988	2.3
107.08600	10.2
108.04488	0.7
109.02876	9.6
109.06541	2.4
109.10161	11.6
111.04463	1.0
111.08132	0.9
115.05478	0.8
117.07005	3.2
119.08569	6.6
121.06519	2.6
121.10152	6.0
123.08114	1.6
123.11723	1.8
125.00018	5.9
125.09664	1.8
127.03918	17.3
127.11191	31.3
128.11526	0.9
129.07045	2.3
131.08585	5.9
133.06476	2.6
133.10132	9.4
135.08087	1.8
135.11678	3.3
137.09689	1.7
143.08595	1.7
143.10750	0.9
145.05055	0.9
145.06500	1.0
145.10098	3.8
147.08099	1.4
147.11763	2.5
149.09625	0.6
149.13318	2.1
151.11221	2.2
157.10123	0.8
159.08022	0.9
159.11737	2.0
161.09636	1.5
161.13264	1.3
163.14839	0.8
169.05022	2.7
169.10268	0.6
169.12329	0.6
171.11711	1.2
173.13330	1.8
175.14891	0.6
177.12788	1.0
181.10251	0.5
184.07350	23.2
185.07639	0.7
187.06018	3.1
189.11252	0.7
198.51398	0.6
201.16379	0.6
203.76428	0.5
205.07140	0.7
209.13228	0.8
222.14848	0.6
223.13431	2.2
227.12811	0.9
236.15041	2.0
245.19019	1.2
253.14339	13.4
254.14886	0.7
261.22244	2.2
263.20132	0.7
271.15576	0.9
273.18509	6.7
291.19531	15.7
291.22690	0.8
292.20020	0.9
293.17432	0.7
313.16641	1.6
334.47919	0.5
335.25812	24.8
336.26459	1.7
347.22382	2.0
363.21527	0.6
365.23224	12.6
524.24677	0.6
531.36914	2.3
583.38617	2.2
607.43573	1.8
625.44543	19.9
626.45349	2.2
728.44421	0.6
766.45575	0.7
823.49976	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	7.2
57.07064	3.3
58.06603	2.0
61.25943	1.9
62.82684	2.3
64.05718	2.1
65.03917	2.9
66.32510	2.0
67.05186	1.8
67.05504	40.0
69.02293	22.3
69.03434	4.1
69.07069	33.9
79.05066	3.7
79.05493	45.0
79.05919	4.3
81.03417	6.2
81.07060	56.5
83.04979	6.1
83.08611	8.3
86.09718	5.2
91.05477	67.9
93.07040	49.0
95.01317	8.8
95.04979	7.3
95.08604	42.1
95.09164	3.6
97.02881	2.5
97.06522	17.6
97.10172	3.6
99.08099	2.4
103.05450	5.2
105.07028	91.2
107.04950	17.9
107.08592	21.0
109.06548	4.9
109.10154	9.9
111.08075	3.5
117.07012	16.9
119.08581	55.0
121.10148	16.6
123.08057	6.2
123.11707	3.2
124.99996	3.9
128.06250	2.5
129.06998	9.6
131.07628	1.8
131.08562	33.8
133.10129	52.8
135.08035	2.9
135.11714	13.5
141.06938	2.7
143.08569	5.6
145.10109	26.7
147.08113	2.9
147.11688	26.4
149.09624	8.1
149.13231	7.4
151.11166	3.5
157.10123	5.4
159.08153	2.8
159.11705	16.5
161.13271	17.7
163.11191	4.5
165.09129	2.6
169.10121	2.4
171.11624	11.3
173.13281	6.9
175.14841	6.2
177.12787	4.6
179.14310	11.3
183.11671	3.2
184.07356	14.9
185.13263	4.0
187.11261	2.3
187.14670	2.9
219.17474	6.6
236.14902	3.0
241.19444	18.8
257.18976	6.9
259.20609	25.8
275.20038	66.2
276.20380	3.1
315.23199	9.7
333.24197	58.3
333.27988	3.8
334.24411	4.4
349.23730	48.6
350.24026	3.7
351.25311	3.8
554.42950	2.2
607.43524	100.0
608.44177	14.0
608.52740	3.6
625.44513	10.9
822.46948	4.6
823.51276	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	824.5506
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	3.2
65.03934	4.5
67.05505	95.3
68.05838	2.7
69.03439	9.8
69.07071	30.8
71.04992	4.0
79.05500	64.9
80.05857	2.2
81.03416	10.8
81.07062	100.0
82.64555	1.9
83.04989	11.7
83.08630	14.9
85.02905	7.2
85.06538	3.3
91.05483	61.0
92.05815	2.3
93.07047	79.8
95.04958	10.2
95.08611	65.1
97.02898	3.9
97.06531	12.6
97.10168	7.8
98.23394	2.7
99.04465	2.2
99.08076	2.3
101.95849	2.2
105.04549	2.7
105.06377	4.0
105.07032	43.8
107.04961	6.8
107.08598	44.4
109.06509	7.1
109.10159	25.4
111.04402	3.2
111.08087	6.2
117.07026	22.1
119.08589	34.5
121.06523	3.5
121.10158	30.6
123.08054	5.7
123.11707	7.7
125.09649	5.8
127.03914	2.5
127.54276	2.1
128.06247	2.3
129.05450	3.5
129.06985	6.9
131.08566	28.9
133.06519	3.5
133.10118	22.7
135.08038	4.3
135.11708	18.2
137.06049	2.3
137.09599	4.3
143.08585	6.1
145.10132	14.5
147.11681	16.2
149.09618	8.8
149.13274	10.8
153.12766	2.4
155.08592	2.8
157.10130	4.6
159.11671	14.7
161.13268	7.6
163.11200	2.2
169.10139	2.6
171.11676	3.4
173.04416	3.5
173.13283	8.8
175.14957	2.4
177.12764	4.4
179.14328	2.6
183.11617	3.5
184.07391	4.1
185.13300	5.5
187.14711	2.4
195.13855	3.6
197.17902	1.8
205.15883	2.1
211.14854	2.5
219.17397	2.1
229.14362	7.5
236.14931	3.5
239.17941	2.4
243.21129	2.4
247.20610	2.2
255.15825	3.4
257.19028	5.7
261.22116	10.8
262.91818	2.1
267.16013	3.0
269.17450	17.5
275.20096	19.4
291.19669	2.3
293.20850	2.2
309.20554	4.6
333.24011	3.1
335.25836	79.5
336.26288	4.3
349.23700	18.6
367.24896	3.3
449.34396	1.9
489.35745	4.1
515.37231	6.7
529.38959	40.9
530.39093	5.6
569.41840	15.3
609.45148	14.7
627.45868	6.2
639.50482	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	824.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06606	12.5
58.40181	7.7
58.49642	8.1
62.10288	7.9
67.05509	74.7
69.07066	39.9
75.66241	9.0
79.05496	65.6
81.07063	84.3
83.04998	14.4
83.08625	29.6
85.02912	13.5
86.09705	29.1
89.48727	9.0
91.05492	70.7
93.07043	68.6
95.08607	57.8
97.02917	10.7
97.06533	11.2
97.10193	12.9
98.23369	22.0
105.07031	53.9
107.08610	41.7
109.10178	31.0
113.51158	9.4
115.05509	9.4
117.07053	32.0
119.08589	54.4
121.10168	34.1
125.00024	11.7
128.06174	11.2
129.07027	20.0
131.08539	50.6
133.10143	53.4
135.08102	10.4
135.11713	16.0
142.72412	9.5
143.08559	23.6
145.10132	33.6
147.11664	12.3
155.08453	9.8
157.10172	23.7
159.11708	20.7
161.13237	9.2
171.11723	19.0
183.11713	12.4
184.07341	73.1
185.13293	12.6
188.27196	11.3
211.14749	11.6
229.71211	9.1
231.13504	8.7
236.15004	28.6
244.63370	9.8
329.24991	9.3
517.40375	14.9
535.41162	12.3
609.45001	100.0
610.45544	15.6
722.10687	11.7
824.51636	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5777
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06586	2.9
61.02912	6.7
65.03923	4.1
67.05183	2.8
67.05511	40.9
69.03087	3.3
69.03430	47.8
69.07072	65.3
71.04987	4.3
73.02915	4.0
73.06573	3.0
76.84580	1.7
79.05497	27.1
81.03423	20.1
81.07059	44.4
83.04985	49.5
83.08615	13.8
85.02896	16.1
87.04499	2.5
91.05485	25.3
93.03397	13.9
93.07043	38.7
94.07373	2.1
95.04963	8.6
95.08048	3.5
95.08608	36.5
97.02898	3.8
97.06530	21.9
97.10175	51.1
99.04456	7.1
101.06017	2.0
105.07033	20.6
107.08597	27.3
109.10156	14.3
111.04445	100.0
111.08090	4.0
111.11704	8.7
112.04798	2.8
115.07551	3.3
117.07046	9.1
119.08591	14.9
121.06409	2.9
121.10168	12.6
123.11745	4.0
125.09639	31.6
125.13264	5.3
129.05472	33.8
129.06970	4.3
131.08533	11.9
132.09026	1.9
133.10141	18.8
135.08057	2.9
135.11694	22.8
137.09618	2.2
143.08545	4.1
143.10692	20.6
145.10130	6.3
147.06546	18.7
147.07622	2.7
147.07973	2.2
147.11688	7.4
149.13239	4.9
153.05490	5.1
153.12740	46.2
153.13907	3.2
159.11700	7.8
160.16089	2.0
161.13286	3.8
165.07602	9.5
167.06984	5.5
171.06505	5.2
171.11627	3.4
171.13808	23.0
173.13255	3.7
185.08067	5.7
185.13220	2.6
187.14825	2.7
189.07639	13.2
203.09132	15.7
221.10155	3.2
231.08656	3.9
235.13333	3.2
236.14951	9.9
241.19519	2.3
245.10226	10.2
253.14351	7.0
254.14674	4.1
257.18994	2.7
259.20612	9.5
261.22168	3.3
263.16428	2.9
271.15411	8.3
271.84329	2.1
272.29901	2.2
275.20087	4.1
279.05994	2.1
281.17474	4.6
287.11322	2.9
289.16531	8.2
293.20981	6.1
299.18542	13.7
301.12775	4.6
313.16302	4.1
317.19504	12.2
327.18216	2.8
331.17465	11.0
333.24338	5.4
335.25772	24.0
336.26178	4.8
341.19525	4.0
345.19116	3.9
349.23755	2.1
355.21103	8.2
359.20593	5.1
365.23181	2.2
367.24899	2.7
373.22327	17.8
387.19910	3.2
415.23303	5.0
423.27213	2.9
429.24957	3.4
441.28320	8.2
459.29623	5.2
473.27484	3.8
501.30338	10.8
515.32214	5.5
525.34412	2.5
529.38782	7.1
543.35266	7.4
583.37323	2.4
596.29712	2.1
611.47107	3.3
627.45306	5.6
774.58478	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	826.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08144	2.9
65.03931	8.0
67.05506	84.6
68.99736	2.2
69.03432	13.7
69.06735	3.2
69.07073	43.6
71.04983	8.5
71.08627	3.9
73.02924	2.1
79.05494	81.4
81.03408	17.6
81.07059	100.0
82.07400	2.6
83.04985	18.5
83.08615	11.9
85.02906	5.5
85.06538	6.8
86.09698	11.6
91.05479	86.7
93.07045	67.8
95.04967	19.7
95.08607	63.4
97.02873	4.0
97.06534	16.8
97.10168	5.6
99.08092	5.4
103.05492	3.0
105.04509	3.2
105.07033	63.0
107.04967	17.4
107.08591	48.0
109.02891	2.5
109.06522	16.6
109.10155	34.0
110.30683	1.9
111.04391	3.8
111.08080	7.4
112.07603	2.0
113.06015	3.9
115.05462	3.8
117.07011	22.3
119.04939	2.3
119.08584	28.6
121.06485	11.7
121.10132	23.3
123.04399	3.7
123.08073	29.5
123.11650	5.5
124.07534	2.7
124.99989	7.6
125.09610	4.3
127.03922	5.9
127.07566	2.9
128.06204	4.7
129.05495	3.3
129.07011	10.1
130.07814	2.6
131.08557	33.2
133.06479	9.1
133.10130	59.1
134.10448	3.1
135.08044	26.3
135.11693	12.7
137.09616	6.5
139.07556	3.1
139.11250	2.3
141.06982	3.8
141.09085	3.7
143.06984	3.5
143.08549	13.0
145.06506	2.2
145.10106	23.9
147.08055	5.0
147.11688	9.4
149.09616	28.0
149.13271	5.2
151.07576	13.7
151.11160	23.8
153.09010	2.7
155.08488	3.6
157.10132	9.2
159.08035	4.6
159.11679	12.8
161.09595	12.0
161.13304	5.6
163.07542	3.6
163.11192	9.3
165.09073	2.2
167.08556	2.6
169.10123	6.4
169.12303	3.3
171.11688	4.6
173.09642	4.6
173.13251	4.2
175.11133	4.0
177.09113	3.5
179.10666	2.9
183.11665	4.3
184.07343	27.3
185.13248	5.7
187.11203	4.9
187.14828	6.9
195.13681	2.5
199.09653	6.0
199.14799	3.4
201.12889	2.5
201.16379	7.1
211.14830	4.3
212.12918	2.4
215.12714	3.4
217.16016	2.8
219.17381	2.8
225.11218	45.5
226.11569	2.6
227.12706	3.4
229.15883	9.8
231.17459	2.6
241.14276	12.2
245.15349	8.9
245.18956	4.5
247.16884	13.4
252.15880	8.3
253.14363	69.0
255.15756	2.3
263.16428	4.4
269.17499	8.1
271.15414	5.2
273.18503	14.9
275.20117	6.9
291.19559	17.4
319.12775	2.1
319.19205	2.6
321.20621	15.3
337.20093	9.1
339.21210	3.6
347.22128	5.5
349.23801	5.6
365.23132	14.2
400.91519	2.3
419.24280	7.1
423.23868	3.4
437.25299	9.1
446.70923	2.3
484.36218	2.3
513.31989	5.4
517.31482	16.6
531.33282	28.2
532.33081	3.2
541.61774	2.6
582.43445	9.2
611.39117	7.5
629.40112	5.6
827.41980	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	826.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	5.9
66.22940	1.6
67.05134	2.5
67.05505	76.7
69.03432	20.0
69.07069	82.0
71.01360	2.6
71.04994	7.9
73.02935	2.7
76.55577	1.8
76.95508	1.6
79.05491	100.0
80.05827	2.4
81.03421	20.5
81.07054	75.2
83.04986	17.6
83.08613	12.6
85.02909	6.4
85.06559	3.5
86.09715	2.9
86.72723	1.5
91.05483	75.0
92.05827	1.8
93.07043	83.8
95.04974	20.9
95.08607	49.1
96.08990	1.7
97.02883	15.5
97.05972	2.9
97.06541	23.2
97.10184	12.8
99.04471	2.2
99.08099	5.2
103.05443	2.7
105.04530	2.0
105.07028	46.8
107.04955	23.6
107.08594	43.8
107.09290	2.8
109.02920	1.8
109.06513	12.3
109.10168	16.9
111.04424	3.3
111.08088	5.2
113.09650	1.7
115.05472	5.9
116.06252	2.9
117.07011	31.0
119.04953	3.2
119.08575	49.0
121.06491	13.1
121.10144	47.8
122.10511	2.0
123.08047	18.5
123.11769	2.6
125.00001	2.8
125.05952	3.4
125.09631	14.5
127.03922	3.9
128.06223	5.6
129.05499	3.9
129.06970	16.1
130.07800	3.0
131.08565	43.4
133.06494	8.0
133.10124	27.9
134.10564	2.1
135.08067	22.8
135.11681	9.3
137.09613	7.5
141.07018	5.1
141.09061	2.4
142.07753	2.9
143.07076	6.2
143.08572	12.8
145.06526	3.4
145.10115	27.6
147.08003	15.5
147.11700	11.8
149.09612	35.4
149.13260	5.9
151.07558	5.5
151.11165	5.5
153.09123	4.0
155.08578	4.2
156.09146	2.0
157.10127	13.2
159.08093	2.6
159.11647	14.3
161.08115	2.8
161.09639	8.6
161.13226	4.2
163.07582	1.9
163.11203	8.4
165.09138	6.9
167.08582	1.8
167.10631	4.4
167.90512	1.9
169.10152	6.4
171.10240	3.7
171.11716	6.8
171.31383	1.6
173.09641	3.9
173.11870	1.7
173.13326	6.1
175.07751	2.0
175.11313	2.7
175.14835	2.2
177.09152	4.2
177.12756	3.7
181.10138	2.6
183.10158	2.1
183.11665	3.5
184.07323	13.2
185.13300	4.1
187.11179	3.2
187.14871	3.5
189.09233	1.7
189.11252	5.6
189.16328	3.3
195.13855	3.6
199.09592	6.1
199.11215	2.7
199.14853	7.0
201.16396	8.0
211.14780	4.4
217.15845	9.1
223.13213	16.0
225.11266	7.6
227.12547	12.6
227.14723	3.1
229.15758	10.1
241.14319	14.0
245.15436	11.7
247.16925	11.6
255.15781	2.9
257.19064	3.8
263.16498	7.6
269.17490	13.6
273.18475	13.3
275.20050	14.2
291.19540	87.7
292.19879	6.8
293.21130	2.8
321.20560	14.6
337.20090	25.3
338.20480	2.1
339.21921	2.2
343.06241	2.2
349.23718	13.5
363.21640	2.0
365.23218	43.8
366.23526	2.1
433.25809	2.8
513.31915	4.5
517.31537	14.0
531.33167	60.0
532.33362	6.9
563.71246	2.1
611.39569	21.9
612.39447	5.3
629.40570	3.3
655.27124	2.8
827.41315	11.1
831.50397	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08156	6.3
61.02906	3.7
65.03942	7.2
67.05508	81.1
69.03433	15.7
69.07072	72.3
69.44457	11.3
70.06588	3.1
71.04996	7.9
71.07364	4.7
73.44092	2.2
74.70809	2.0
79.05498	99.7
81.03421	20.2
81.07060	100.0
83.04971	15.6
83.08621	17.0
85.02911	5.9
85.06554	5.0
86.09712	25.9
91.05482	85.4
93.06472	4.8
93.07049	73.5
95.01334	3.0
95.04968	21.8
95.08615	47.1
97.02884	17.4
97.06534	18.4
97.10160	13.0
98.22658	2.5
98.98466	4.7
99.04514	2.5
99.08104	2.6
101.48343	2.1
103.05453	2.3
105.04518	3.7
105.07040	51.5
107.04967	22.5
107.07891	2.7
107.08600	47.5
109.02867	2.4
109.06530	14.5
109.10161	18.1
111.04420	4.8
111.08086	6.1
115.05467	5.4
117.07026	24.2
119.08585	44.3
121.06487	10.6
121.10150	53.3
123.08073	18.0
124.07615	4.4
125.00012	16.9
125.06000	2.6
125.09642	11.2
127.03934	2.5
128.06227	3.9
129.07025	15.4
130.07849	2.5
131.08563	40.4
133.06476	8.7
133.10138	32.2
133.11096	3.3
135.08067	26.7
135.11699	11.6
137.09653	7.1
141.07010	5.7
142.08682	3.6
143.07050	7.0
143.08569	16.8
145.06514	3.1
145.10133	28.0
147.08049	13.5
147.11711	8.0
149.09619	32.3
149.10707	3.3
149.13274	7.1
151.07545	6.8
151.11214	7.5
153.01782	7.2
153.09158	3.1
157.10101	11.8
159.11722	14.6
161.09625	7.6
161.13245	7.1
163.11169	8.3
165.09129	6.3
167.10744	4.1
169.10165	6.5
170.10909	2.2
171.10283	4.1
171.11705	8.6
173.09668	2.8
173.13284	5.6
175.11150	3.3
177.09140	4.9
177.12717	3.5
183.07747	2.3
183.11737	4.4
184.07352	82.2
185.09644	3.0
185.13235	4.2
187.11177	4.3
187.14783	2.4
189.11253	7.5
189.16444	4.4
195.13803	5.5
199.09676	9.9
199.14864	11.0
201.16425	6.6
203.10678	2.7
205.12206	3.3
209.13419	3.0
211.14839	4.6
217.15897	8.3
223.13202	12.9
225.11311	8.3
227.12560	16.0
229.15895	10.6
239.12843	4.4
241.14357	19.1
242.14719	2.2
245.15514	13.7
247.16933	10.7
253.14340	11.0
255.15865	4.4
257.19080	2.8
263.16281	10.0
269.17468	16.4
273.18564	14.8
275.20096	11.4
283.15421	2.5
291.19559	78.5
292.20090	3.4
319.19046	4.1
321.20636	12.4
337.20084	28.1
347.22202	5.8
349.23849	11.5
350.23846	2.6
365.23212	30.0
419.23679	2.5
491.30051	3.2
496.16724	3.6
513.32104	2.7
517.31519	21.5
531.33130	74.3
532.33203	6.7
571.36914	2.8
611.39368	20.6
612.39862	3.0
629.39917	5.1
699.46442	2.5
807.52649	2.3
808.50769	2.6
827.40417	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	826.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	0.6
58.07431	0.5
59.05011	3.1
59.49656	0.4
60.08170	0.6
61.02930	11.5
65.03958	1.2
67.05507	70.7
68.05830	1.0
69.03438	2.8
69.07074	6.0
69.83489	0.4
71.04993	3.4
71.08633	18.6
73.02921	3.8
79.05503	3.0
81.03426	1.2
81.07058	17.9
81.31336	0.4
83.04990	0.7
83.08620	11.4
85.02909	12.3
85.06553	2.7
85.10188	14.0
86.09695	1.0
86.10516	0.5
87.62865	0.5
89.06019	0.9
90.09344	0.4
91.03955	7.2
91.05474	4.3
93.07043	2.2
95.05000	0.6
95.08611	17.3
97.02903	6.2
97.06515	0.4
97.10175	4.1
98.23341	1.2
99.04469	0.8
99.11764	0.7
103.07585	1.4
107.08609	1.8
109.10158	68.8
110.10523	1.3
111.08082	2.2
111.11739	0.9
117.09168	0.6
119.08588	4.4
123.11694	2.5
125.00045	1.1
125.13329	0.7
127.03914	3.0
129.05513	0.6
137.09605	3.2
137.13278	1.2
144.06642	0.5
145.04977	2.7
155.10660	5.1
163.06018	3.6
170.24706	0.5
173.11736	15.2
184.07324	3.3
229.14354	73.9
230.14671	3.4
236.14917	1.3
239.23650	2.4
257.24756	2.0
280.37256	0.5
313.27362	77.0
314.27750	3.9
467.37329	100.0
468.37683	8.8
611.41547	0.6
826.48364	0.7
827.48950	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39403	0.6
61.02926	5.0
67.05507	10.6
68.05840	0.8
69.03426	3.3
69.07069	4.2
71.05011	0.7
71.08640	2.5
71.29210	1.0
73.02918	3.4
79.05495	5.6
80.64916	0.6
81.03431	2.9
81.07050	7.2
82.07368	0.6
83.04995	0.9
83.08630	1.8
85.02912	4.4
86.09713	2.2
91.03960	1.9
91.05484	5.9
93.07032	6.7
95.04972	1.7
95.08607	5.8
97.02894	4.5
97.06564	1.3
97.10210	0.8
98.98485	0.8
99.04483	1.1
101.02380	1.1
105.07015	5.5
107.04966	1.0
107.08591	2.4
109.02874	1.3
109.10162	5.9
113.06007	0.6
117.07053	1.6
119.08559	3.3
121.06590	0.7
121.10184	1.9
124.76679	0.6
125.00018	1.6
127.03938	1.4
128.66837	0.6
129.06990	0.9
131.08611	2.1
133.10156	2.2
135.11729	1.5
145.10124	1.5
147.11693	1.5
149.09657	0.8
157.10190	0.8
159.11734	1.2
163.06065	0.6
173.11783	1.2
179.14493	0.6
184.07327	6.3
215.69241	0.6
227.12978	0.7
229.14322	4.4
230.14769	1.7
236.15028	1.2
243.08516	2.7
249.60435	0.6
259.20520	0.7
301.08936	0.9
313.27408	3.3
314.27628	3.4
315.19363	4.2
335.25943	0.9
371.21848	1.0
410.81662	0.6
465.20853	1.0
467.37189	3.5
468.37619	5.7
533.27234	8.5
535.28986	4.7
605.29187	1.1
827.49023	100.0
828.49237	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	828.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
60.21856	2.4
61.02932	7.0
64.85733	2.7
65.03946	3.5
67.05506	82.6
69.03440	14.3
69.07069	48.9
69.11988	10.0
69.12408	8.1
71.01363	3.8
71.05003	9.3
73.02917	2.4
79.05492	89.3
81.03416	19.8
81.07058	100.0
83.04974	21.8
83.08609	18.2
85.02908	7.0
85.06533	4.2
86.09737	2.7
87.04460	2.9
91.04904	3.6
91.05482	76.8
93.07049	89.3
95.04967	19.2
95.08611	47.1
97.02894	8.5
97.06537	25.5
97.10165	8.4
98.23426	3.7
99.04452	3.8
99.08125	4.6
105.07034	57.0
106.07316	3.7
107.04955	16.4
107.08602	47.7
107.09287	4.0
109.02901	2.8
109.06512	16.3
109.10170	19.8
111.04468	4.0
111.08093	6.8
115.05441	5.3
117.07011	32.7
119.08578	44.7
121.06522	9.8
121.10149	40.4
123.08065	15.5
123.11740	5.3
123.31023	2.8
125.09653	6.2
128.06212	6.7
129.05502	3.8
129.07031	15.6
131.08566	40.5
133.06456	7.4
133.10144	33.1
135.08043	28.8
135.11676	16.9
137.09615	7.3
139.11197	6.3
140.35060	2.8
141.07013	7.1
142.07809	2.8
143.08604	10.4
145.06493	3.6
145.10132	31.7
147.08072	5.4
147.11656	15.1
149.09607	31.8
149.13286	12.5
151.07532	3.3
151.11179	5.6
153.09099	3.0
155.08636	7.1
157.10141	10.3
159.08104	3.2
159.11681	21.4
161.08244	2.4
161.09604	5.9
161.13297	6.5
163.07553	3.1
163.11186	15.6
165.09122	2.9
165.12828	3.5
167.10725	7.0
169.10146	11.6
171.10318	4.1
171.11748	9.6
173.04514	2.8
173.09589	3.9
173.13283	8.2
177.09120	2.9
177.12805	5.2
179.14307	4.0
181.10074	3.5
182.10971	2.7
183.11760	8.2
184.07397	4.9
185.13330	7.9
187.11128	3.3
187.14871	3.1
189.11205	2.9
195.13847	7.7
197.13402	3.9
199.09648	6.4
199.14963	2.7
201.16364	7.3
209.13393	3.7
211.14868	8.6
223.13313	4.2
227.12717	21.4
229.15970	13.9
229.19409	2.9
239.12880	3.5
241.14331	25.9
247.16960	19.9
255.15991	8.6
257.19043	5.6
269.17444	32.1
275.20132	24.9
310.27432	2.9
319.22552	2.5
321.20505	20.1
339.21582	4.7
349.23953	18.1
421.25729	23.2
435.27432	32.4
488.48099	2.7
497.32312	3.5
501.32077	5.9
515.33807	32.1
533.34692	7.2
595.39642	3.8
613.40594	5.2
828.42688	3.2
829.43506	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	828.51
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04971	1.9
61.02930	5.1
65.03942	5.8
67.05504	86.2
69.03426	16.5
69.07065	54.4
71.01355	3.3
71.05013	9.0
71.30218	2.2
73.02926	4.3
77.03913	1.8
79.05492	93.3
80.05846	1.9
81.03425	27.4
81.07056	100.0
83.04986	18.4
83.08616	17.8
85.02907	8.8
85.06551	4.7
86.09713	3.1
91.05481	80.0
91.71333	1.9
93.07043	84.1
94.07369	3.2
95.04968	23.4
95.08601	56.0
97.02892	8.7
97.06525	27.5
97.10173	10.0
99.04433	3.7
99.08087	4.6
103.05501	3.4
105.04514	2.6
105.07026	57.8
107.04940	17.0
107.08596	44.3
107.09288	3.0
108.99048	1.9
109.02901	3.2
109.06506	12.6
109.10160	17.2
111.04430	3.3
111.08081	7.7
115.05478	4.7
117.07007	30.5
119.08586	35.4
121.06519	9.1
121.10147	35.2
123.08072	12.9
123.11713	6.2
125.09608	9.8
127.03915	7.5
128.06212	4.9
129.05472	5.2
129.06999	16.9
130.07816	3.5
131.07591	2.2
131.08569	42.3
133.06529	5.7
133.10129	32.0
135.08066	25.8
135.11705	16.0
137.09595	9.6
139.11189	6.5
141.06987	8.0
142.07784	4.0
143.07033	3.4
143.08563	11.5
145.06522	3.7
145.10121	29.8
147.07939	3.7
147.11673	14.9
149.09621	31.6
149.13246	7.4
150.09940	2.2
151.07483	2.4
151.11186	5.1
153.09085	3.3
155.08557	8.7
157.10103	11.5
158.10487	1.8
159.08067	4.4
159.11673	17.3
161.09590	7.1
161.13239	6.8
163.11157	14.5
165.09119	3.5
167.08566	2.5
167.10696	6.7
169.10101	14.6
171.11703	6.4
173.04443	3.2
173.09625	4.7
173.13258	7.3
175.11223	4.7
177.09122	3.5
177.12761	4.8
179.14311	2.6
181.10188	4.0
183.11681	8.4
184.07378	7.4
185.11713	2.3
185.13234	7.1
187.11223	6.6
187.14859	6.2
189.11180	5.6
189.12770	3.8
195.11642	4.1
195.13686	4.4
199.09631	7.0
199.11275	3.0
201.12863	3.0
201.16333	11.4
205.12256	1.8
205.16075	1.9
211.14799	6.5
212.15356	2.2
217.15944	2.1
219.17386	3.6
227.12724	18.5
227.14406	1.7
229.15996	18.5
229.19521	3.3
239.12675	2.4
239.18056	4.3
241.14346	27.5
247.16937	19.0
255.15968	7.2
257.18982	9.1
265.17984	3.0
269.17404	18.6
275.20059	32.6
291.19623	2.1
293.21371	2.3
303.19614	3.5
307.05972	2.1
313.21371	2.5
321.20667	27.9
321.24197	3.7
331.22849	2.4
339.21780	3.1
349.23743	23.9
367.24823	2.8
405.27472	3.5
407.24527	2.5
411.23477	2.6
421.26038	16.7
423.29114	4.0
435.27545	22.9
497.32663	3.4
501.31943	6.6
515.33630	30.3
533.34650	5.3
595.39758	8.3
613.40601	3.5
829.43317	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	828.5457
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06610	8.4
60.08165	5.2
65.03941	9.5
67.05505	100.0
69.03420	8.7
69.07066	27.0
71.05011	15.8
71.08647	7.0
71.29810	3.1
79.05492	98.0
81.03426	12.2
81.07060	85.9
83.04970	7.8
83.08602	16.0
85.02901	6.9
85.06543	6.5
86.09721	22.4
91.03973	3.5
91.05477	61.8
93.07044	92.3
95.04984	16.0
95.08612	58.5
95.09237	3.8
97.02931	3.9
97.06544	13.2
97.10160	7.8
99.08090	6.0
105.04552	3.9
105.07037	38.9
107.04961	6.5
107.08596	41.4
109.06546	7.2
109.10151	46.1
111.08058	8.2
117.07016	19.4
119.08604	27.7
119.19852	3.0
121.10133	52.7
122.25884	3.3
123.08080	7.2
123.11707	11.2
124.07697	3.1
125.00006	18.6
125.09637	6.7
129.05481	6.5
129.07022	5.5
131.08582	22.0
133.10146	22.7
135.08081	5.6
135.11702	25.7
137.09619	5.0
143.08568	6.4
145.10165	20.5
147.08002	4.5
147.11650	16.6
149.09604	7.6
149.13252	10.7
151.07426	4.0
151.11179	6.0
157.10133	9.3
159.11705	11.8
161.09660	4.2
163.11147	3.7
169.10062	3.3
171.11731	5.2
173.11771	8.0
173.13293	10.4
184.07358	61.7
185.13278	3.9
186.18228	3.5
187.14803	5.9
215.17961	9.7
227.12842	6.3
229.14316	29.8
233.19034	8.8
236.14944	6.5
247.16779	3.2
269.17517	10.0
275.20142	16.5
307.22635	95.5
308.22891	5.6
309.24472	4.5
313.27216	3.9
349.23737	11.1
461.32663	30.2
474.25824	3.8
501.35809	54.9
502.36172	4.3
541.38885	33.9
542.39355	4.6
581.42163	26.5
613.44293	6.1
828.53021	6.2
829.42322	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	828.5826
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06597	7.7
65.03939	6.5
65.66386	3.9
67.05505	100.0
67.05846	8.4
69.01387	42.4
69.03435	10.5
69.07070	66.8
71.05003	7.7
71.08646	11.6
73.02895	4.9
76.72783	4.3
79.05493	60.8
81.03429	18.5
81.07058	99.0
83.04986	12.4
83.08625	47.9
85.02913	10.4
85.06544	9.9
85.10209	5.5
91.05483	50.5
93.07045	69.4
95.04961	10.6
95.08606	63.0
97.06536	15.2
97.10157	24.5
98.23306	8.8
99.08105	6.7
105.07030	34.6
106.07359	5.3
107.04959	6.5
107.08601	36.3
109.06499	5.1
109.10175	32.7
111.08073	8.8
117.07040	16.7
119.08585	18.9
121.06542	7.5
121.10134	31.3
123.11744	10.2
123.67874	4.1
125.09660	6.1
129.07030	5.9
130.07808	4.2
131.08574	22.3
133.10146	19.0
135.08070	5.0
135.11707	27.0
141.23711	3.8
143.08589	7.8
144.10110	3.9
145.10146	14.2
149.09636	11.9
149.13287	12.6
149.14493	4.5
157.10124	5.6
159.11729	17.9
163.11227	8.7
184.07367	14.2
195.13887	7.9
200.93076	4.3
201.16542	4.1
217.15672	5.4
227.12823	8.6
236.14970	7.9
255.15895	19.6
257.19040	8.9
265.25208	6.9
269.17526	46.4
275.20160	21.0
293.21246	4.7
339.28973	98.1
349.23785	21.5
367.24802	5.1
519.40552	20.7
532.27612	4.2
533.42029	98.2
534.42584	10.1
573.44897	7.0
613.48187	22.2
622.29456	5.2
631.49066	6.8
829.46906	6.0
857.23535	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	829.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	0.5
61.02933	5.4
67.05505	6.6
69.03435	3.8
69.07072	2.0
71.01370	0.6
71.05007	0.9
71.29474	0.5
73.02920	4.2
79.05494	4.2
81.03426	2.7
81.07062	6.3
83.08617	0.7
85.02917	5.9
86.09729	1.1
89.04208	0.4
91.03967	3.2
91.05494	3.5
93.07051	4.4
95.04986	0.5
95.08608	4.4
97.02897	4.7
97.06548	0.5
99.04446	0.5
101.02399	1.7
102.59935	0.4
105.07045	1.9
107.08614	2.1
109.10188	1.8
117.07053	0.7
119.08588	1.6
121.06516	0.4
121.10165	2.0
123.11738	0.6
125.00011	0.5
127.03954	1.4
131.08607	1.3
133.10165	1.3
135.11723	1.1
145.05017	0.5
145.10156	0.7
147.11714	0.6
149.13268	0.5
184.07358	3.7
185.04158	0.5
209.82063	0.4
217.47728	0.4
240.63914	0.4
243.08400	2.3
317.81839	0.4
333.20410	2.7
453.21179	0.6
519.29346	6.3
551.28168	4.4
727.73834	0.5
731.43396	0.6
829.50720	100.0
830.51050	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	829.507
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06589	0.3
59.18838	0.3
60.08183	0.3
61.02930	3.7
65.03932	0.4
67.05499	3.8
69.03420	2.1
69.07070	1.9
71.01357	0.3
71.04990	0.3
73.02914	2.5
79.05497	4.4
81.03416	1.3
81.07060	3.9
82.07378	0.4
82.33825	0.3
83.04984	0.3
83.08626	0.7
85.02907	4.7
86.09718	1.1
91.03955	2.2
91.05487	5.3
93.07042	5.6
95.04979	1.0
95.08611	2.8
97.02893	3.6
97.06572	0.4
97.10162	0.5
99.04446	0.5
101.02363	1.5
105.07010	3.8
107.05029	0.4
107.08600	2.3
109.02882	0.8
109.10180	1.1
115.03957	0.5
117.07068	1.1
119.08585	2.3
121.10148	1.8
123.08202	0.3
125.00013	0.7
127.03936	1.1
129.07008	0.7
131.08559	1.5
133.10143	2.2
135.08134	0.4
135.11731	1.1
141.30063	0.3
143.08618	0.6
145.05019	0.3
145.10181	1.2
147.11732	1.4
149.13257	0.5
156.33197	0.3
157.10155	0.3
159.11772	0.9
161.13310	0.9
171.11729	0.5
173.13312	0.5
184.07350	4.2
185.04262	1.1
185.13345	0.4
203.05142	0.4
236.14912	0.3
243.08400	3.3
259.20636	0.5
301.09079	1.8
313.09134	0.4
315.10641	0.9
317.20920	1.1
335.25940	0.4
369.15549	0.4
373.23706	0.5
383.16876	0.4
385.18393	0.5
411.47855	0.4
465.21222	1.2
469.04800	0.4
495.22095	0.4
525.23120	1.4
535.28760	14.2
536.29065	1.6
607.30774	1.9
632.44043	0.4
691.38550	0.5
759.42572	0.4
768.97058	0.4
829.50641	100.0
830.50891	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4498
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	4.6
67.05507	4.4
68.52731	0.3
69.03436	3.0
69.07076	4.6
71.01337	0.6
71.05002	1.0
73.02912	3.3
79.05492	6.6
81.03427	1.9
81.07056	4.5
83.05001	0.8
83.08620	0.8
85.02912	3.6
91.03961	1.7
91.05480	4.9
93.07039	4.8
95.04979	1.5
95.08601	2.8
96.73791	0.3
97.02888	4.2
97.06554	0.7
97.10172	0.8
99.04469	0.7
101.02394	1.5
103.03952	0.4
105.07017	2.3
107.04980	0.9
107.08582	2.3
109.02886	0.7
109.06506	0.4
109.10173	0.5
115.03955	0.3
115.05480	0.3
117.07036	1.1
119.08561	1.9
121.10170	1.5
123.08094	0.8
125.06066	0.4
125.09673	0.7
127.03914	1.0
129.05493	0.4
129.06998	0.7
130.88245	0.3
131.08588	1.3
131.46912	0.3
133.10172	1.5
135.08072	0.8
135.11703	0.4
137.09624	0.6
143.07077	0.5
143.08614	0.3
145.05031	0.4
145.10161	0.8
147.08105	0.4
147.11720	0.9
149.09569	0.7
161.13269	0.3
173.13281	0.4
184.07344	0.4
185.04262	0.6
205.57973	0.4
223.13358	0.6
243.08382	4.0
291.19812	0.6
301.08969	0.5
303.07080	0.9
303.15640	0.8
305.17261	0.4
331.18814	0.6
333.20599	0.5
411.16406	0.7
453.21335	0.4
495.48825	0.4
521.23615	3.8
522.24054	0.4
523.25201	4.2
524.25159	0.5
549.26709	2.2
551.28229	2.4
831.44916	100.0
832.45270	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	3.6
64.56131	0.4
67.05502	6.1
68.05859	0.7
69.03429	3.9
69.07065	4.1
69.79544	1.5
69.79959	0.8
70.83187	0.4
71.05009	0.9
73.02924	2.7
73.56891	0.4
75.77636	0.5
76.20979	0.4
79.05495	5.5
81.03423	3.1
81.07050	5.9
83.04997	1.2
83.08613	0.7
85.02904	4.0
91.03964	2.2
91.05470	5.1
93.07047	4.2
95.04972	1.9
95.08613	1.9
97.02888	3.9
97.06554	2.1
97.10179	0.6
98.23323	0.5
99.04430	0.8
101.02409	1.8
105.07028	3.4
107.04977	1.5
107.08600	2.7
109.02902	0.8
109.06499	0.8
109.10162	1.0
115.05464	0.5
116.06225	0.5
117.07036	1.8
119.08591	2.2
121.06623	0.5
121.10166	1.4
123.08089	1.2
125.09684	0.9
127.03938	1.1
129.07018	0.9
131.08589	2.1
133.10147	1.4
135.08092	1.2
135.11732	1.2
137.09595	0.7
143.07001	0.6
143.08604	0.6
145.10172	0.6
147.08020	0.5
149.09669	0.7
161.09677	0.5
163.11371	0.7
184.07397	0.8
185.04259	0.8
223.13332	0.5
243.08379	3.9
259.07846	0.6
269.15118	0.5
303.15790	0.9
331.18939	1.0
355.13858	0.5
387.21426	0.6
425.18079	1.2
439.19467	0.7
453.21393	0.7
521.23938	2.3
523.25256	3.2
549.26770	1.7
551.28503	2.0
733.37665	0.8
737.60162	0.6
831.44897	100.0
832.45172	16.1
832.61139	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4708
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	1.0
60.08162	0.8
61.02925	8.3
64.79640	0.3
67.05496	6.2
69.03430	5.8
69.07064	2.9
71.01357	0.9
71.04992	0.5
71.08636	2.4
73.02914	5.9
79.05518	1.6
81.03423	2.2
81.07052	3.6
82.07389	0.4
83.05021	0.4
83.08623	1.4
85.02898	8.6
85.03362	0.5
85.10198	1.3
86.09711	2.6
87.04483	0.8
87.08231	0.3
90.91356	0.4
91.03952	5.9
91.05481	1.5
93.07067	1.0
93.68327	0.3
95.04945	0.4
95.08610	3.2
97.02886	8.9
97.06522	0.5
97.10194	0.9
98.22569	1.1
99.04471	1.4
100.76245	0.4
101.02376	1.9
103.03989	0.7
104.40090	0.4
104.40800	0.3
105.07059	0.9
107.08617	0.8
109.02877	1.8
109.10152	5.1
110.10507	0.4
111.04512	0.6
115.03938	0.8
119.08592	0.4
123.11751	0.8
123.27394	0.3
125.00038	1.4
127.03928	2.1
133.10146	0.5
145.04922	0.4
173.11830	1.1
184.07353	6.6
185.04289	0.7
195.09970	1.0
197.07130	0.4
200.22473	0.3
203.05203	0.8
211.82310	0.3
229.14417	1.0
229.49443	0.4
236.14917	1.0
243.08337	2.1
309.24286	0.7
313.27530	1.7
347.09473	2.5
363.08987	0.5
365.10504	1.8
405.13721	5.8
413.17746	6.1
413.22668	0.5
414.17456	0.5
497.30820	7.5
498.31360	0.8
504.37469	0.6
507.41599	0.6
575.23004	4.8
576.23596	0.4
659.36060	9.6
659.46533	0.6
660.36438	1.0
669.42242	2.3
733.46332	0.5
831.47021	100.0
832.47241	15.7
832.63196	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.465
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	4.3
65.03938	1.0
67.05502	5.9
69.03428	4.0
69.07059	3.5
69.08099	1.4
69.08522	3.3
71.04997	1.5
73.02927	3.3
79.05500	6.7
81.03425	2.3
81.07056	7.1
83.04993	1.3
83.08637	1.6
85.02905	5.6
87.04443	0.5
90.74034	0.5
91.03965	3.4
91.05470	5.7
91.25660	0.5
93.07056	5.3
95.04987	1.8
95.08593	4.5
95.09105	0.6
97.02881	5.2
99.04500	0.9
101.02383	1.9
105.06998	2.8
107.04914	0.8
107.08596	2.6
109.02864	0.9
109.06526	0.8
109.10171	1.8
117.07071	1.6
119.08614	2.1
121.06559	0.7
121.10172	1.9
123.08067	1.0
127.03960	1.7
129.06970	0.5
131.04860	0.5
131.08571	1.6
133.10147	1.6
135.08080	0.9
135.11705	0.8
137.09706	0.5
139.26512	0.6
143.08528	0.7
145.10120	1.4
147.11690	0.8
149.09648	1.2
157.10114	0.5
159.11681	0.7
187.75101	0.5
203.05446	0.9
243.08353	3.4
259.07861	0.5
305.17490	1.0
313.27426	1.6
331.28519	0.9
333.20160	1.1
378.21033	0.5
411.16464	1.2
420.95575	0.5
425.17978	1.4
441.17468	1.0
453.20651	0.5
469.20300	0.6
470.11545	0.6
523.25189	8.8
551.28363	4.6
833.46509	100.0
834.46613	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	833.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	4.1
67.05508	4.5
69.03437	3.4
69.07064	2.7
71.01366	0.7
71.04983	1.3
73.02921	3.1
79.02790	0.3
79.05496	5.6
80.05814	0.5
81.03428	2.7
81.07059	5.1
83.04983	1.1
83.08636	1.0
85.02907	3.7
85.06535	0.5
91.03957	1.9
91.05480	4.0
93.07047	4.5
95.04964	1.5
95.08604	2.7
97.02900	3.9
97.06544	0.8
97.10206	0.6
99.04484	0.9
101.02380	1.6
103.21120	0.4
105.07033	2.7
107.04968	0.8
107.08583	2.2
109.02894	0.5
109.06523	0.7
109.10165	1.4
112.78027	0.3
115.05504	0.4
117.07047	1.2
119.08591	1.9
121.10135	1.6
123.08055	0.6
124.99979	0.3
125.09618	0.7
127.03976	1.1
129.05518	0.4
129.07048	0.6
131.08589	1.3
133.10179	1.2
135.08095	0.8
135.11705	0.7
137.09634	0.5
139.11162	0.3
145.04967	0.4
145.10155	0.6
147.08087	0.3
147.11702	0.5
149.09644	0.6
153.09126	0.3
159.11729	0.4
163.11224	0.4
184.07410	0.6
185.04268	0.9
188.35510	0.3
203.05420	0.5
225.11264	0.4
228.82326	0.3
243.08356	3.5
301.09476	0.4
305.17084	1.5
313.08994	0.4
315.10831	0.4
333.20279	1.9
389.23114	0.4
411.16562	0.9
425.17859	0.9
439.19656	0.8
441.17236	0.6
453.21286	0.6
523.25146	8.5
523.32751	0.5
524.25830	0.7
551.28290	4.2
552.28534	0.5
623.30298	0.4
711.68048	0.3
833.46533	100.0
834.46844	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	833.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08194	1.0
61.02930	6.8
67.05502	8.6
69.03439	3.7
69.07059	2.3
71.05000	2.3
71.29401	1.1
73.02923	4.7
79.05492	8.2
81.03405	1.4
81.07067	6.0
85.02903	7.3
86.09714	5.2
91.03973	3.8
91.05506	4.2
93.07042	7.6
93.41613	1.0
95.04975	1.7
95.08630	3.7
97.02885	5.1
99.08157	1.1
101.02403	1.4
105.07069	3.9
107.08630	3.4
109.02890	2.0
109.10151	2.6
117.07014	1.3
119.08568	2.2
121.10190	3.4
125.00056	3.5
127.03931	1.7
131.08578	1.3
133.10165	1.7
184.07346	11.0
185.07765	2.1
203.05351	1.2
233.94348	1.1
243.08569	2.9
323.02390	1.3
365.23038	5.5
491.26254	8.9
583.30823	2.3
717.37573	1.4
747.37567	3.1
833.50189	100.0
834.50708	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05006	1.6
61.02926	3.6
65.03962	1.6
67.05502	25.3
69.03436	3.2
69.07056	7.3
71.05000	3.9
73.02924	1.5
79.05489	37.4
81.03415	18.8
81.07053	28.9
81.07525	1.6
83.01337	3.6
83.04974	20.1
83.08607	7.6
85.02911	9.4
91.03963	2.7
91.05476	47.5
92.05891	1.1
93.07040	35.7
93.07629	1.9
95.04954	13.7
95.08611	10.2
97.02908	5.4
97.06541	6.4
97.10195	1.7
97.18907	1.2
99.08121	2.0
103.05453	1.1
105.07024	25.6
105.07672	1.6
107.04965	12.9
107.08609	9.6
109.02901	2.4
109.06530	8.4
109.10162	3.0
111.04457	1.4
111.08106	2.5
115.05480	2.1
117.07043	4.9
119.08568	15.3
119.09334	1.3
121.06525	2.6
121.10136	7.8
123.08089	4.8
127.03905	2.3
127.07578	1.6
129.07016	10.0
131.08566	13.3
133.06558	1.2
133.10129	22.5
133.51355	1.2
135.08067	2.3
135.11685	7.9
137.09641	1.6
142.07819	2.7
145.10117	12.2
147.08057	3.7
147.11678	11.2
149.09662	4.0
153.12825	1.1
157.10149	9.5
163.11151	15.7
173.09639	3.1
175.11153	9.6
181.12343	2.5
184.07365	1.5
191.10713	3.0
193.12204	11.5
196.01996	1.2
202.87061	1.1
209.11807	3.7
211.13460	1.6
227.12807	3.0
238.41301	1.1
265.14355	3.2
267.15900	100.0
268.16138	5.5
283.15378	43.8
284.15833	2.7
313.27332	2.3
335.25940	1.7
457.25769	10.8
475.26883	84.9
476.27261	9.2
493.27954	2.4
834.40240	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
61.51450	0.7
62.51222	0.8
67.05497	2.6
69.03427	2.1
69.98048	3.0
71.04979	1.7
71.08632	73.2
79.05492	2.4
81.03421	14.4
81.07043	2.2
83.08627	0.8
85.02916	1.9
85.16139	0.8
86.09695	3.2
91.05471	2.2
93.07041	2.7
95.04957	1.2
95.08610	1.9
97.02903	7.9
99.04448	5.9
99.08092	100.0
100.08435	1.7
103.03941	12.5
105.06992	0.9
107.08617	1.1
109.02881	36.7
109.10146	1.1
117.07069	0.9
124.99959	2.1
127.03914	82.8
128.04271	1.5
130.85222	0.8
133.10083	1.2
135.08064	1.1
139.03955	1.1
140.02104	1.0
145.04941	8.4
160.26385	0.9
169.04956	22.6
184.07346	11.2
187.04330	1.9
187.06012	32.2
225.11212	5.2
236.14819	1.0
242.69016	0.9
243.12297	1.8
267.12079	1.1
285.13315	41.8
286.13721	2.3
291.19620	1.1
313.27295	0.9
335.25729	1.6
341.19342	1.8
379.21268	1.6
401.21603	5.9
639.42474	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
63.74317	0.8
65.31837	0.8
66.83093	0.9
69.03431	1.2
71.04998	1.4
71.08631	66.4
71.29578	1.2
77.65778	0.8
78.11810	0.9
81.03428	8.6
81.07063	1.2
85.02892	1.3
86.09706	2.2
97.02901	5.0
99.04447	1.3
99.08093	100.0
100.08425	1.7
103.04002	0.9
109.02878	14.7
125.00020	2.8
127.03912	20.3
184.07343	8.5
225.11232	3.8
243.12282	1.0
285.13315	20.5
341.19495	1.8
401.21600	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.515
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08158	5.1
65.03949	5.4
67.05505	61.0
69.03416	6.6
69.06725	3.3
69.07069	33.8
71.08637	2.4
73.06557	2.3
79.05492	50.5
80.05840	3.5
81.03413	13.5
81.07056	82.1
83.04984	12.0
83.08618	9.8
85.02921	3.0
85.06541	6.9
86.09702	19.8
91.05479	90.6
93.07042	50.3
95.01326	8.7
95.04974	16.3
95.08606	40.4
97.02898	2.4
97.06540	38.7
97.10178	3.5
103.05466	2.4
104.10756	2.3
105.07030	100.0
106.07345	3.6
106.37056	2.2
107.04945	20.0
107.08599	35.9
108.08997	2.0
109.06524	9.3
109.10159	35.2
111.04445	2.9
111.08076	3.9
113.05983	2.4
117.07022	16.8
119.08577	36.5
121.06510	9.7
121.10158	10.8
123.04396	3.0
123.08074	7.8
123.11735	7.7
125.00013	15.8
128.06215	2.8
129.06973	3.9
131.07672	3.4
131.08568	30.2
133.06497	6.2
133.10126	73.2
134.10533	2.3
135.08049	9.2
135.11667	11.3
137.09607	4.0
139.07503	3.5
141.06992	3.2
143.08521	6.8
145.06508	3.3
145.10103	15.5
145.36363	2.0
147.08051	3.5
147.11659	14.4
149.09656	12.7
151.11194	18.0
155.08499	2.9
157.10115	3.9
159.08061	2.7
159.11684	14.7
161.09654	7.3
161.13289	6.1
163.11165	6.2
165.09119	2.7
165.12878	2.9
167.91681	2.1
169.12289	2.9
171.11720	4.7
173.13237	3.9
175.11238	5.5
177.12752	3.2
179.14333	11.5
184.07339	69.3
184.08945	4.1
185.13234	3.1
187.11208	3.7
219.17445	6.5
221.02896	2.0
228.32587	2.2
229.03667	2.6
239.17865	2.9
247.20602	3.3
251.12802	5.0
253.14339	77.1
255.17433	2.8
257.18970	6.4
273.18472	26.3
275.20068	88.5
275.23032	5.0
276.20419	5.2
291.19461	20.6
292.19971	3.2
293.21118	3.6
313.27240	14.8
319.46268	2.5
347.22122	12.1
349.23755	49.2
350.24051	3.1
365.23239	38.4
366.23734	2.7
527.33423	2.7
545.34747	11.6
621.41302	9.6
639.42499	87.4
640.42853	10.2
836.51746	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	836.515
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08160	1.3
65.03944	1.9
65.57347	1.2
67.05508	33.1
69.03422	6.3
69.07070	35.8
70.06587	1.4
78.37846	1.1
79.05494	37.0
81.03435	7.6
81.06582	2.7
81.07057	43.7
82.07384	1.4
83.04995	4.9
83.08627	8.8
85.06552	1.9
85.69289	1.4
86.09717	5.8
90.82931	1.2
91.05482	45.4
93.07049	31.4
95.01331	6.6
95.04985	10.1
95.08606	24.8
97.02905	6.2
97.06535	29.0
97.10185	10.1
103.05444	2.0
105.04549	1.4
105.07032	55.3
107.04951	15.0
107.08598	19.2
109.06525	3.9
109.10146	9.6
111.04458	1.9
111.08087	4.2
113.09622	1.3
115.07480	1.2
117.07017	13.9
119.08588	30.6
121.06532	4.2
121.10141	9.7
123.04453	1.3
123.08062	4.6
123.11710	1.3
124.99999	3.2
125.09619	6.3
126.05571	1.3
126.31792	1.1
129.06999	4.5
131.08583	20.8
133.06525	2.4
133.10138	32.7
135.08060	3.8
135.11688	7.4
137.09612	3.4
139.07555	1.9
141.06995	1.9
143.08571	3.0
144.09248	1.3
145.10117	14.4
147.08020	2.4
147.11687	11.0
148.23059	1.1
149.09618	8.0
149.13257	3.9
157.10207	4.5
159.08112	1.3
159.11656	8.0
161.13258	4.2
163.11163	4.8
165.09116	1.9
169.10149	2.2
171.11707	2.5
173.13220	2.8
175.11177	1.5
177.12769	3.0
179.14273	6.9
183.11591	1.4
184.07330	14.0
185.13281	2.5
187.11201	3.2
189.11238	1.8
197.13242	1.7
205.12248	2.4
215.17896	1.7
219.17412	8.9
223.13300	9.3
227.12775	2.5
229.19479	1.8
233.18756	1.4
239.17940	1.8
247.20660	2.2
249.14983	2.2
257.19031	4.8
267.15927	1.8
273.18463	7.8
275.20062	69.9
276.20486	3.0
291.19540	44.3
292.19974	2.1
293.21082	4.0
335.25769	1.3
347.22293	3.3
349.23724	30.7
350.24106	2.7
365.23209	27.8
529.50073	1.3
541.35394	3.0
621.41119	2.8
639.42523	100.0
640.42834	9.0
657.43555	1.9
771.20648	1.5
836.47717	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
62.09819	2.0
63.93179	2.0
65.03949	6.2
66.82314	2.2
67.05503	80.0
67.57056	2.1
68.11283	2.3
69.03429	8.9
69.07072	48.7
70.07426	2.3
71.04972	3.3
71.08646	5.2
79.05492	68.0
80.05861	2.4
81.03431	17.0
81.07058	94.5
82.07394	2.8
83.04970	12.8
83.08623	16.3
85.02885	3.7
85.06554	6.9
87.04470	7.9
91.05479	85.3
93.07044	71.2
95.01339	8.4
95.04975	19.3
95.08607	50.9
97.02894	5.3
97.06539	32.6
97.10181	10.0
98.22652	7.7
99.08081	4.9
103.05487	5.4
105.07030	100.0
106.07379	3.8
107.04972	25.4
107.08599	42.5
109.06542	14.1
109.10163	22.9
111.08092	4.5
111.33511	2.4
115.05429	2.7
117.07012	25.8
119.07775	5.0
119.08584	59.4
120.08934	3.3
121.06554	5.8
121.10139	20.5
123.04384	2.5
123.08049	7.6
123.11721	5.6
125.09628	7.0
129.07024	10.3
129.80104	2.1
131.04958	2.4
131.08565	38.1
133.06577	3.7
133.10133	51.0
135.08080	7.3
135.11700	13.6
137.09584	5.0
141.37389	2.6
143.08548	10.6
145.06520	2.4
145.10101	28.3
147.08046	3.3
147.11679	23.6
149.09665	10.5
149.13281	11.0
151.11194	5.2
153.09097	2.3
155.08553	2.9
157.10126	8.6
159.08041	3.2
159.11674	22.0
161.09584	3.3
161.13303	12.1
163.11223	9.9
167.08626	2.3
169.10123	3.5
171.11688	10.4
173.13319	5.8
177.12709	12.0
179.14279	16.1
183.11748	3.9
184.07372	10.8
185.13322	4.9
187.11290	3.7
195.11830	2.7
195.13780	3.8
197.13222	5.5
199.14824	2.9
219.17451	10.9
223.13164	4.5
227.12785	4.8
229.19472	4.7
231.21266	2.8
239.17915	4.4
241.19598	6.8
253.14452	4.5
257.19086	7.4
259.20618	10.8
269.17490	20.7
275.20053	88.6
276.20569	6.2
291.19525	31.7
293.21091	6.0
313.27426	4.0
315.29260	2.5
333.24191	10.7
335.25772	8.3
349.23706	52.8
350.24066	2.8
365.23227	12.5
367.25067	3.1
381.22702	2.9
503.33606	4.0
529.35223	18.1
543.28632	5.4
543.36816	99.9
544.36786	9.9
623.43024	37.4
624.43066	6.8
641.43872	13.2
687.40625	3.5
839.45813	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	838.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05012	2.3
65.03941	6.0
67.05508	76.6
68.05825	3.0
69.03426	12.0
69.04064	11.1
69.04494	8.3
69.07068	51.1
69.07426	4.1
71.04996	6.6
71.08632	3.4
73.02902	3.0
79.05493	72.8
80.05836	2.2
81.03416	12.3
81.07059	67.6
82.07385	2.2
83.04989	9.9
83.08617	19.1
85.06551	3.8
86.09711	3.5
87.04465	6.5
91.05479	84.4
92.05824	3.0
93.07043	72.9
95.04979	21.7
95.08605	49.3
96.08958	2.8
97.02885	12.9
97.06536	11.9
97.10173	23.9
98.22620	3.4
99.08109	4.8
103.05457	3.3
105.07030	75.6
106.07361	3.5
107.04953	11.9
107.08585	48.8
109.06524	9.2
109.10150	27.1
111.04465	2.3
111.08099	6.4
115.05513	3.8
117.07011	28.7
117.07755	3.3
119.04963	2.7
119.08585	63.6
119.09444	3.3
120.08913	2.4
121.06496	5.4
121.10137	29.8
123.08080	8.8
123.11721	5.3
125.09624	18.5
128.06224	3.9
129.06973	12.8
130.07764	2.5
131.08572	38.0
133.06522	6.5
133.10127	46.3
134.10503	2.4
135.08075	7.2
135.11688	15.1
136.06186	2.5
137.05994	2.0
137.09587	4.6
139.07588	2.3
140.07732	2.1
141.07022	6.0
142.07785	5.1
143.08557	16.3
144.09343	2.7
145.10115	26.9
147.08063	7.3
147.11688	36.1
149.09636	9.3
149.13269	8.3
151.11157	2.1
151.84325	2.2
153.07001	2.4
154.07758	2.5
155.08568	8.2
157.10106	13.6
159.11658	22.1
161.09644	4.5
161.13274	16.6
163.11206	5.0
165.09271	2.9
167.08597	2.3
168.09436	2.4
169.10173	7.1
171.10403	2.2
171.11661	13.4
173.13266	10.8
175.11270	3.3
175.14792	10.9
177.12741	3.5
181.10258	3.9
183.11690	5.3
184.07349	15.2
185.13254	10.0
187.14838	4.1
189.11253	8.3
193.12389	2.7
195.11772	4.7
195.13622	2.9
199.14864	5.9
213.16425	4.4
223.13272	22.6
223.15121	2.7
227.12675	10.0
231.21173	3.2
241.19476	20.9
249.14920	4.5
257.19040	3.9
259.20566	37.0
273.18564	8.0
275.20013	13.2
276.20313	2.8
285.21777	3.1
289.18192	3.8
289.21875	2.3
291.19547	100.0
292.19937	7.0
313.27518	4.1
315.23187	7.5
315.26794	2.4
333.24197	49.9
333.27951	3.0
334.24661	3.9
335.25961	11.0
349.23785	6.8
365.23181	35.7
366.23642	3.9
379.29919	4.8
381.22748	5.1
494.09082	2.7
525.35529	9.7
529.35461	3.2
541.35095	2.8
543.36621	13.0
577.51758	3.8
605.41980	6.1
623.43024	45.0
624.42957	4.2
641.44092	13.7
838.49219	3.0
839.45319	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	838.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	1.5
61.02917	1.8
65.03937	5.9
67.05506	82.2
69.03429	6.3
69.07068	26.2
71.04984	6.4
77.03973	1.4
77.45464	1.5
79.05497	69.6
80.05823	1.9
81.03439	9.1
81.07058	92.0
82.07380	2.3
83.04987	12.6
83.08626	14.9
85.02910	3.8
85.06523	5.8
86.09704	2.9
87.04473	3.6
91.05482	100.0
92.05811	2.7
93.07043	77.7
94.07361	2.0
95.04959	17.1
95.08609	46.8
97.02882	2.9
97.06560	11.7
97.10159	6.7
99.08081	2.7
101.06048	1.4
103.05469	2.1
105.04514	3.5
105.07034	99.6
106.07362	3.2
107.04928	10.3
107.08595	52.0
108.08901	1.7
109.06506	10.2
109.10154	52.1
110.10458	2.4
111.04445	1.9
111.08081	7.8
113.06007	3.0
115.05459	3.8
116.06238	1.7
117.07021	23.9
119.04928	2.3
119.08580	57.6
120.08913	1.9
121.06526	7.7
121.10143	24.1
123.04438	2.6
123.08076	4.7
123.11704	10.7
124.99947	3.7
125.09632	3.2
127.07518	3.0
128.06190	4.4
129.06996	15.5
130.07793	2.5
131.08568	29.9
132.96002	1.5
133.06482	4.7
133.10127	88.2
134.10457	3.9
135.08064	9.2
135.11708	16.3
137.09618	5.5
141.07016	4.3
142.07793	3.2
143.08549	17.4
145.10123	29.0
147.08055	5.7
147.11702	26.3
149.09602	6.8
149.13246	6.4
151.11177	30.3
153.09019	1.8
153.12717	2.3
155.08568	5.1
157.10147	14.7
159.08072	3.3
159.11685	18.4
161.09589	10.0
161.13263	17.6
163.11128	5.1
163.14861	4.3
165.12781	1.6
167.08539	3.3
169.10152	6.5
169.12271	4.3
171.08049	2.4
171.11646	13.3
173.09598	2.3
173.13220	9.3
175.11180	4.0
175.14809	5.7
177.09239	1.6
177.12708	2.7
179.10661	2.4
179.14333	2.0
181.10086	3.5
181.12222	1.5
183.11696	4.6
184.07344	14.2
185.09654	1.9
185.13271	11.9
187.11205	2.5
187.14813	3.5
189.12721	2.1
189.16339	1.5
195.11659	2.9
197.13322	2.7
199.11147	1.9
199.14833	5.0
201.16302	1.5
203.14351	2.3
209.13281	2.1
211.14850	1.9
213.12915	1.7
213.16394	2.8
215.12791	6.3
215.17940	2.2
223.14996	1.7
227.18063	2.1
229.19322	1.9
231.21056	3.8
239.17892	2.2
241.19490	16.4
245.19014	3.6
253.14355	61.6
254.14661	2.5
257.19009	5.3
259.20566	40.7
260.20959	2.6
261.22232	1.7
263.20004	4.0
271.15512	3.3
273.18436	12.7
275.20193	2.4
289.17871	3.7
291.19550	18.3
313.27307	1.7
315.23264	6.8
333.20218	1.9
333.24237	38.6
334.24570	3.4
335.25937	7.8
347.22302	2.2
351.24963	1.7
353.28461	3.3
363.21494	3.5
365.23215	24.0
366.23474	2.3
409.30997	2.7
419.29645	2.7
437.30435	5.6
455.31232	4.1
479.37012	3.1
480.05307	1.6
483.34375	1.6
501.35370	3.9
511.34125	11.8
513.01654	1.5
513.37128	3.2
529.35278	13.2
530.35052	2.4
531.38092	4.6
543.36615	1.8
549.39429	3.2
595.43060	2.5
605.41724	7.6
623.42999	33.1
624.42694	5.0
641.44019	7.2
642.43878	1.8
699.57794	1.5
773.16254	1.7
814.68646	1.5
839.47791	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	838.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08181	2.5
65.03934	3.6
66.09632	2.1
67.05508	73.1
69.03427	6.6
69.07072	43.5
69.07814	6.0
69.08213	12.8
71.05007	3.1
71.08628	6.2
79.05492	69.0
80.05826	2.7
81.03440	12.4
81.06585	4.9
81.07055	81.4
83.04992	12.6
83.08630	14.2
85.02899	3.4
85.06539	5.1
86.09693	6.3
87.04471	4.2
91.05482	85.0
93.07042	69.2
95.01349	9.1
95.04965	15.8
95.08603	45.7
95.09171	3.8
97.02914	5.4
97.06523	25.5
97.10183	8.0
98.22669	5.5
99.08064	4.1
103.05507	3.9
105.07032	100.0
107.04971	18.5
107.08595	40.1
109.06519	5.9
109.10153	13.7
111.08102	4.6
115.05460	3.1
117.07026	23.8
119.08582	61.7
119.12434	2.0
120.08903	2.5
121.06502	10.2
121.10125	16.8
123.04379	4.2
123.08048	5.6
123.11691	2.8
124.99973	3.8
125.09630	6.4
128.06221	3.0
129.07040	8.1
131.04999	2.4
131.08571	31.1
131.20377	2.5
133.10139	46.4
134.10460	3.0
135.08043	8.5
135.11690	10.9
137.09627	5.1
139.07535	2.7
141.07037	2.3
143.08580	7.7
145.06523	3.8
145.10121	30.5
147.08076	2.4
147.11690	26.8
149.09613	11.9
149.13239	8.4
151.11183	6.5
155.08514	4.7
157.10104	9.0
159.11667	10.7
161.13264	11.1
163.11189	8.2
163.14713	2.2
165.09135	3.1
165.12714	2.4
169.10143	4.9
171.11656	7.3
173.13283	5.9
175.11169	3.0
175.14851	3.4
177.12726	3.7
179.14307	19.0
181.10022	2.5
183.11700	4.3
184.07349	14.4
187.11218	3.3
199.14902	3.9
219.17404	6.0
226.96460	2.5
227.12840	2.9
239.17879	2.6
241.19485	4.9
247.20610	3.8
257.19019	10.9
259.20624	9.5
269.17487	10.0
271.17026	2.6
275.20062	66.1
276.20453	4.8
289.17892	7.9
291.19620	5.1
293.20999	6.3
333.24136	16.3
335.25873	12.5
341.04077	2.4
349.23715	28.2
350.23932	2.7
363.21689	3.7
365.23315	4.2
529.34851	2.9
543.37036	20.0
607.43488	27.3
608.43958	4.8
623.43384	13.0
624.42859	2.5
641.43933	18.8
839.49036	2.8
854.09027	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5455
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	5.4
64.90895	2.8
65.03936	4.2
67.05505	95.0
69.03422	10.6
69.07066	35.9
69.24178	19.7
70.31520	2.9
71.04984	5.3
71.08619	6.5
79.05492	96.5
80.61442	3.3
81.03418	13.2
81.07056	100.0
83.04976	10.6
83.08631	18.9
85.02888	9.3
86.09719	6.5
91.05479	94.5
91.06014	6.2
92.05840	4.0
93.07047	98.6
95.04975	17.7
95.08607	70.2
97.02890	11.0
97.06536	11.0
97.10156	11.4
99.08076	5.8
105.04508	3.6
105.07030	96.8
106.07302	3.8
107.04962	11.8
107.08593	52.7
109.06521	7.6
109.10162	27.6
111.04482	3.4
111.08109	4.6
115.05505	3.4
117.07026	38.5
119.07785	4.8
119.08588	65.4
121.06483	7.2
121.10148	35.4
123.08081	8.5
123.11736	5.0
124.99979	5.2
125.09629	9.3
127.03909	5.9
128.06241	6.9
129.05447	4.3
129.06987	19.7
131.08569	46.6
133.06374	3.5
133.10135	43.8
135.08055	10.7
135.11652	21.3
137.09666	4.0
141.06995	8.7
142.07759	6.0
143.08549	28.4
145.10130	49.2
147.08092	6.0
147.11673	31.9
149.09592	10.2
149.13248	15.8
151.11189	4.0
154.07785	3.2
155.08583	14.5
157.10130	26.6
158.55087	4.0
159.11688	34.5
161.09540	3.3
161.13281	21.3
163.07585	3.4
163.11200	6.1
167.08592	6.1
169.10159	19.7
171.11688	21.6
173.11833	5.2
173.13177	18.1
175.14845	6.5
177.12723	5.0
181.10139	5.5
183.11743	12.4
184.07361	18.3
185.13271	14.8
187.15005	4.0
195.11790	9.3
197.13258	11.7
199.14882	10.9
209.13246	5.5
211.14873	5.8
213.16423	7.2
221.13222	4.3
223.15019	4.7
225.16570	6.4
229.19533	3.9
236.14944	4.5
237.48721	3.0
239.17966	4.5
241.19467	10.4
257.18921	4.2
259.20532	23.6
265.19482	3.2
269.17508	6.4
275.20090	9.6
277.21655	4.9
291.19449	5.6
293.21100	11.4
315.23206	4.4
333.24481	15.1
335.26044	14.6
359.75879	3.3
365.23486	4.6
429.94394	3.4
527.37323	13.8
545.37640	5.9
607.43420	5.2
609.44928	26.3
625.44800	17.9
643.45416	4.8
644.38245	3.2
841.45990	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	840.5458
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	5.5
67.05503	93.3
69.03420	9.0
69.07066	34.6
71.05006	7.8
71.34621	2.4
72.33175	2.3
79.05490	84.6
81.03430	10.9
81.07054	100.0
83.04966	13.8
83.08618	18.1
83.25826	2.6
85.02901	5.5
85.06546	5.8
85.35615	2.6
86.09736	3.5
91.05476	92.5
93.07037	82.6
95.04947	14.8
95.08605	53.0
97.02911	7.9
97.06548	13.9
97.10165	9.6
99.08123	3.0
103.05452	4.6
105.07027	76.9
107.04967	9.8
107.08585	43.3
109.02869	3.0
109.06528	13.9
109.10135	22.7
111.08065	4.3
115.05447	6.5
117.07005	32.2
119.04945	2.6
119.08578	63.5
121.06470	7.7
121.10146	34.1
123.08150	3.6
123.11726	8.2
125.09667	4.3
128.06230	6.8
129.06996	23.4
131.08546	38.4
131.09363	3.6
133.10114	43.8
135.08075	6.3
135.11685	22.2
137.09633	3.3
141.06989	7.7
142.07785	6.3
143.08566	21.7
143.24129	3.0
145.10121	41.1
147.08110	3.0
147.11693	33.6
149.09645	9.3
149.13272	12.8
151.11176	3.5
155.07394	3.6
155.08569	13.0
157.10143	22.6
159.11668	22.2
161.13239	14.6
163.11153	9.3
165.12758	3.7
167.08591	6.2
169.10117	12.0
171.11717	13.4
173.04401	3.3
173.09656	3.1
173.13280	14.9
175.14871	7.9
177.12683	3.7
179.08507	3.4
181.10208	3.7
183.11694	13.7
184.07297	16.5
185.13304	11.3
187.11194	3.7
187.14842	5.0
195.11746	7.5
195.13608	2.9
197.13269	6.3
199.14877	9.5
207.11813	4.7
207.13722	2.7
209.13248	3.4
211.14885	7.7
213.16449	5.4
220.08842	2.8
221.13354	3.6
223.14815	2.9
227.12766	4.0
236.14894	5.6
239.17891	4.0
241.19511	8.9
255.15871	6.9
257.19064	4.6
259.20541	33.9
269.17337	14.9
270.90515	3.2
273.18680	4.2
273.21518	2.9
275.20084	15.9
277.21719	3.3
291.19562	8.3
315.23245	4.2
333.24207	33.4
335.25943	5.6
349.23749	16.4
351.25290	4.1
379.26254	3.8
513.35681	13.5
515.38055	5.8
527.37207	33.0
533.39728	5.8
543.36444	3.0
545.37720	5.2
589.40399	3.9
607.43549	21.5
608.43359	3.4
625.44623	23.3
626.44061	4.6
661.34100	3.5
769.47131	3.1
790.28748	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.546
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	3.3
65.03943	6.5
66.09995	2.7
67.05505	84.6
69.03430	9.3
69.07071	40.7
71.04996	9.2
73.02922	4.1
79.05495	87.9
81.03416	12.0
81.07060	100.0
83.04993	12.9
83.08621	25.6
85.02904	8.3
85.06523	4.8
86.09715	3.7
87.04474	3.5
87.33080	2.7
91.02901	3.2
91.03967	2.9
91.05482	87.9
93.07043	90.2
95.04972	10.2
95.08612	59.2
95.64076	3.2
97.02911	6.4
97.06533	15.4
97.10181	12.8
98.06922	3.2
99.04508	3.5
99.08095	5.2
103.03960	2.9
104.43739	2.6
105.04543	6.1
105.07033	80.2
107.04948	12.4
107.08596	53.8
107.32032	3.2
109.02835	4.0
109.06504	7.3
109.10143	24.0
111.08080	9.2
117.07030	32.7
119.08587	59.1
121.06541	6.6
121.10145	37.6
123.08082	5.0
123.11741	5.9
125.09650	5.2
127.03934	3.9
129.07019	18.8
131.04840	2.6
131.08553	43.7
133.06480	4.4
133.10132	50.2
135.08054	8.1
135.11700	32.3
137.09650	4.7
139.11102	2.9
141.06970	4.1
143.08595	20.3
145.06503	4.1
145.10133	37.9
147.08043	5.8
147.11685	32.4
149.09570	8.9
149.13214	18.3
151.11194	7.0
155.08521	13.7
157.10091	17.1
159.11676	22.5
161.09602	3.9
161.13234	18.4
163.11218	10.6
165.55281	2.9
167.08675	3.1
169.10143	12.8
171.11653	18.3
173.11884	3.8
173.13188	15.0
175.11255	3.6
175.14844	13.4
177.12819	4.2
179.14371	4.0
181.10159	3.1
183.11707	10.1
184.07376	13.9
185.13268	12.8
187.14853	7.2
195.11708	8.0
195.13715	5.0
197.13284	9.5
199.14807	10.4
209.13315	4.5
211.14886	5.5
213.16507	4.5
215.14465	3.5
223.14893	6.3
227.12764	4.2
228.23117	3.4
229.12846	3.0
239.18011	5.2
241.19572	15.0
243.08662	3.3
255.15999	13.4
257.18979	6.9
259.20566	31.0
269.17380	17.0
273.18411	6.3
275.20035	18.0
276.20386	3.8
291.19608	8.8
333.24304	29.9
335.25919	14.6
347.22339	3.7
349.23691	16.7
351.25171	6.1
365.23663	9.7
435.32391	9.5
453.33881	4.6
513.35596	10.8
515.37439	3.7
517.38538	4.2
525.35663	3.2
527.37408	44.1
528.37384	8.2
545.37897	5.8
607.43555	16.9
608.43671	3.7
625.44708	28.3
626.44891	3.6
643.44501	6.6
841.46924	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5459
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08159	7.7
67.05507	81.6
69.03430	13.6
69.07069	37.7
79.05495	83.9
81.03417	15.5
81.07065	100.0
81.32466	5.0
83.04981	13.8
83.08625	23.7
86.09721	27.2
91.05483	91.1
93.07042	80.4
95.04984	15.3
95.08600	47.8
97.06529	14.1
97.10177	20.1
103.05461	6.1
105.07033	75.9
107.04981	12.5
107.08607	40.3
109.06512	8.8
109.10138	28.2
111.08132	8.3
117.06989	30.3
119.08601	61.5
121.10130	36.7
123.08099	8.2
123.11687	12.3
125.00044	14.7
125.09692	9.4
129.07004	16.6
131.08566	37.8
133.10123	52.4
135.08102	15.7
135.11690	27.5
135.16577	5.0
141.06999	8.4
142.07709	8.5
143.08556	20.0
144.10257	5.9
145.06461	6.3
145.10127	40.9
147.11665	34.5
149.09598	12.6
149.13237	14.9
155.08592	8.7
157.10135	21.6
159.11716	22.2
161.13254	16.6
163.11157	7.9
169.10165	16.1
171.11731	14.9
173.13286	10.8
175.14825	9.1
181.10184	6.6
183.11737	12.3
184.07359	80.7
185.13242	13.2
195.11757	6.1
195.13606	6.3
199.14908	10.3
227.12892	7.8
236.14967	11.3
241.19562	9.3
257.18988	6.8
259.20587	27.4
269.17413	9.0
275.20026	23.1
333.24255	24.6
349.23856	14.8
513.35730	17.8
527.37354	6.8
607.43353	17.5
625.44489	27.5
808.26184	5.9
840.43213	7.6
841.46820	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	841.4703
Annotation	Antibiotic L 156602
Peak:m/z	Relative Intensity
61.02932	3.2
67.05505	12.5
68.05815	0.7
69.03429	4.0
69.07067	6.7
71.05005	1.0
71.08640	1.6
73.02893	3.3
75.04474	0.7
79.05495	11.3
81.03420	3.9
81.07059	12.0
82.07382	1.0
83.05004	1.8
83.08620	1.8
85.02908	3.8
86.09709	1.8
91.03963	2.5
91.05481	7.4
93.07044	9.5
94.07399	1.2
95.01344	0.7
95.04991	2.1
95.08604	6.0
96.08964	0.8
97.02902	5.0
97.06554	2.3
97.10200	2.1
99.04462	0.7
99.08102	0.7
101.02390	1.1
101.28571	0.8
105.07020	7.1
106.17735	0.6
107.04953	2.0
107.08585	6.2
108.08964	0.6
109.02895	0.9
109.06534	0.8
109.10174	2.5
111.08096	0.6
113.09670	0.6
117.07045	2.5
119.08549	4.4
121.06514	0.9
121.10190	2.6
123.08079	1.3
125.00030	1.1
125.09659	1.6
127.03934	1.1
129.07048	1.1
131.08598	2.7
133.10129	4.4
135.11717	2.7
142.63420	0.5
143.08604	1.4
145.10149	2.8
147.08032	0.8
147.11723	2.0
149.09608	1.2
149.13286	1.2
151.11200	0.7
157.10153	1.5
159.08255	0.8
159.11716	1.6
161.13258	0.6
163.11168	0.6
169.10126	0.9
177.12976	0.8
179.14323	3.6
180.14677	1.1
184.07298	3.8
189.11255	0.9
201.74724	0.7
223.13345	1.4
243.08418	4.6
262.48627	0.6
269.17584	0.8
270.18057	1.0
275.20087	1.6
276.20450	1.0
277.21527	1.7
278.22366	1.0
291.19635	1.9
315.19427	2.9
316.30988	0.7
331.18860	1.3
331.22583	0.7
335.25897	2.0
351.25238	1.0
371.22067	1.5
393.66428	0.6
476.20615	0.7
529.55493	0.8
532.38135	0.7
533.27283	8.0
534.27429	0.9
545.38000	0.7
546.38617	2.3
547.76801	0.8
549.26569	6.1
560.99872	0.7
569.41766	0.9
626.45032	2.1
660.24078	0.7
841.46979	100.0
842.47235	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	842.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04984	1.2
61.02930	10.9
67.05504	19.4
67.70515	0.5
69.03423	5.8
69.06742	0.8
69.07064	9.8
69.78117	1.0
69.78519	1.4
71.04950	0.7
71.08632	18.5
73.02905	3.5
73.30145	0.6
79.05057	1.0
79.05489	10.4
81.03388	1.3
81.06601	1.2
81.07053	18.5
82.61788	0.6
83.04950	2.6
83.08618	26.5
84.08924	0.8
85.02901	9.7
85.06516	0.8
85.09724	0.9
85.10177	12.8
86.09669	1.8
89.05997	0.8
91.03957	6.3
91.05454	3.4
93.07036	4.6
95.04945	0.7
95.08604	16.9
97.02888	6.6
97.06521	0.9
97.10167	56.2
98.10459	1.0
99.04398	0.7
99.11664	0.8
103.07568	1.3
105.07006	2.4
107.07868	0.9
107.08591	17.0
109.10158	9.1
111.08071	2.4
117.06982	1.6
121.10206	0.8
123.11723	2.9
124.99937	1.1
125.09624	55.1
126.09959	1.2
127.03872	2.5
131.08473	0.9
133.10066	0.6
135.08052	5.8
137.13292	0.6
143.10635	2.7
145.04970	3.6
147.11636	0.9
153.09084	3.3
155.10103	0.6
163.06027	3.7
171.10178	4.3
184.07335	5.5
189.11214	36.8
190.11536	1.7
203.05014	0.9
203.13654	0.7
227.12769	84.6
228.13094	3.5
239.23648	2.5
245.13832	94.4
246.14238	4.2
257.24753	2.3
313.27347	100.0
314.27725	7.2
483.36786	100.0
484.37198	10.8
551.28131	0.7
843.48621	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	842.5618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05006	3.3
60.08170	3.9
61.02922	5.0
65.03942	4.2
67.05503	100.0
68.05819	2.5
69.03419	8.5
69.07063	24.6
69.51239	1.7
69.51531	9.9
71.04979	5.4
71.44144	2.0
73.02914	5.1
79.05490	60.2
81.03424	4.5
81.07053	79.5
83.04985	5.2
83.08621	13.2
85.02905	8.1
85.06567	3.2
86.09695	14.1
91.03947	2.0
91.05477	43.4
93.06473	3.6
93.07043	61.0
93.07633	3.2
94.07369	3.0
95.04971	9.6
95.08603	53.7
96.08923	3.1
97.02892	6.3
97.06544	10.1
97.10170	11.3
97.30238	1.6
98.51479	2.0
99.08056	3.6
105.07030	31.9
107.04937	5.4
107.07884	2.2
107.08592	36.1
109.06523	5.6
109.10155	40.7
111.08083	3.2
117.07006	13.0
119.08571	30.1
121.06517	4.0
121.10148	22.9
123.08073	5.8
123.11703	5.7
125.00001	8.2
125.09622	6.0
128.51483	1.6
129.06995	5.9
131.08578	17.6
133.10126	19.5
134.78389	1.8
135.08054	3.6
135.11693	13.9
136.73068	2.3
137.09590	5.0
137.13313	1.9
141.06992	2.7
143.08549	5.2
144.85605	2.0
145.10146	17.9
147.08076	2.3
147.11668	10.4
149.09596	9.4
149.13217	10.0
157.10129	6.4
159.11687	12.7
161.13266	5.0
163.11249	2.8
163.14790	2.7
165.12788	2.2
169.10204	2.9
171.11630	5.1
173.11726	8.1
173.13274	7.7
175.14911	2.7
177.12770	2.6
184.07343	31.8
185.13313	3.7
187.14925	1.9
189.11235	3.7
213.16350	3.0
223.13232	2.4
227.12657	10.4
229.14323	27.0
236.14775	2.5
243.08435	3.0
243.21051	2.7
245.13820	4.3
257.18903	3.9
259.20599	4.3
261.22089	10.1
269.17590	12.4
275.20041	18.9
291.19595	2.7
293.21173	3.2
296.75797	1.8
307.22546	3.6
313.27191	3.5
335.21759	4.0
335.25766	70.3
336.26236	5.0
349.23593	11.5
367.24884	9.6
386.86569	2.1
483.36746	3.4
489.35809	17.2
529.38867	24.7
535.28418	4.9
549.26556	5.7
569.41711	6.9
609.44940	17.9
610.45313	2.8
627.45551	10.0
842.47278	17.3
843.48584	88.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.218
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	0.8
65.03931	0.2
67.05490	0.2
68.99796	0.8
69.03429	5.4
69.21041	1.0
71.01350	0.3
71.04993	6.0
72.79641	0.1
73.02906	1.0
75.04484	0.2
79.05484	0.2
80.05040	0.2
81.03415	4.7
83.01334	0.1
83.04977	2.8
85.02903	17.5
86.03238	0.1
87.00829	5.1
87.04474	0.3
91.03996	0.2
91.05495	0.4
93.07040	0.1
95.04967	0.5
96.04496	0.1
97.02888	5.9
99.04450	1.9
103.03957	0.4
105.01864	6.2
105.03379	0.3
107.04955	0.5
109.02874	5.2
111.00793	0.6
111.04440	2.3
113.06006	0.2
115.03913	0.2
117.01875	0.3
119.04916	0.4
121.02859	2.4
121.03689	0.2
123.04468	0.3
125.02310	0.2
127.03911	9.3
128.04225	0.1
129.01845	0.5
129.05486	1.6
129.06989	0.2
130.04999	0.3
131.04868	0.2
133.02879	0.4
135.04454	0.3
137.02348	0.8
137.06018	0.1
139.03909	0.3
145.04956	3.1
145.06361	0.3
147.02994	0.3
147.04393	2.7
147.06534	0.4
151.03954	0.2
153.01823	3.2
157.04990	0.3
157.06522	0.3
159.02884	1.3
162.12828	0.1
163.03893	0.2
165.01817	1.5
165.04018	0.1
165.05446	0.3
171.04393	0.3
173.05972	0.2
177.05400	0.2
180.06540	0.1
183.02922	0.9
185.05943	0.6
189.03940	0.5
189.05458	0.2
191.07082	0.1
193.04941	0.2
195.06685	0.2
203.07188	0.2
213.03780	1.0
213.05659	0.9
229.05057	0.2
231.04868	2.5
231.08490	0.2
237.07513	1.0
241.04938	0.9
242.05420	0.1
249.05948	0.8
253.07202	0.2
255.08679	0.4
258.05252	0.9
259.06036	0.5
269.04480	0.2
271.08160	0.2
287.05475	100.0
288.05804	5.4
295.95547	0.1
299.05322	0.2
311.05609	0.2
315.10718	0.2
329.06470	0.8
341.08755	0.4
353.06549	0.2
359.09674	0.2
449.10837	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05008	0.4
61.02930	3.3
65.03925	0.6
67.05503	9.9
67.05840	0.7
68.05841	0.7
69.03440	3.1
69.07066	3.8
71.05002	0.5
73.02918	2.6
79.05492	8.5
81.03413	1.9
81.07057	8.9
82.07400	0.7
83.04980	1.1
83.08627	1.4
85.02896	3.9
86.09720	1.5
89.21624	0.4
90.67990	0.4
91.03973	2.2
91.05487	6.6
91.87733	0.3
92.05786	0.6
93.07042	8.6
94.07381	1.1
94.31763	0.3
95.04977	1.4
95.08611	5.1
96.08963	0.7
97.02890	3.3
97.06541	0.9
97.10185	1.7
99.04480	1.1
101.02388	1.8
103.03960	0.5
105.07026	4.9
106.07359	0.6
107.04964	0.7
107.08605	4.5
108.08957	0.8
109.02862	0.9
109.06504	0.9
109.10145	3.3
110.10565	0.5
111.04424	0.5
111.08081	0.5
115.03918	0.6
117.07045	2.0
119.08610	3.3
120.08881	0.4
121.06555	0.5
121.10122	2.5
123.08015	0.5
123.11729	0.5
125.00046	0.9
125.09676	1.4
127.03941	1.5
129.05481	0.5
129.07010	0.6
131.08589	2.3
133.10095	2.5
134.73796	0.4
135.08090	0.4
135.11710	2.1
136.12085	0.5
137.09711	0.4
143.08627	0.5
145.10168	1.3
147.08124	0.6
147.11740	1.8
149.09685	0.8
149.13309	0.9
150.13629	0.4
156.45775	0.3
157.10172	0.5
159.11757	1.1
161.13307	0.9
173.13293	0.5
174.50470	0.4
184.07355	4.0
185.04227	0.9
189.11269	0.6
203.05344	0.6
223.13322	0.8
227.12866	0.7
228.13289	0.5
229.14377	0.8
233.67094	0.4
243.08379	3.2
259.20438	0.5
269.17584	0.5
275.20178	0.8
276.20459	0.7
291.19656	1.0
301.09018	1.5
313.27512	0.7
317.20831	0.4
317.25137	0.5
331.18732	2.1
335.25793	2.5
336.25992	3.0
341.47427	0.5
349.23883	0.6
350.24121	0.4
367.24869	0.5
368.25818	0.4
369.15320	0.4
437.21466	0.4
465.21097	1.0
483.37085	0.5
490.36243	0.7
509.23856	0.4
529.39209	0.8
530.39001	1.7
535.28772	7.7
536.28992	0.6
549.26648	4.7
570.42285	0.5
610.45691	1.2
621.28723	1.1
628.46234	1.1
681.43848	0.6
843.48553	100.0
844.48938	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	843.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05009	0.4
61.02934	4.3
65.13956	0.3
67.05504	5.4
69.03432	3.2
69.07069	3.5
71.01373	0.6
71.05007	1.0
71.08638	0.4
73.02914	3.4
79.05491	5.1
81.03420	2.6
81.07047	5.8
81.07439	0.4
83.05013	1.1
83.08628	1.2
85.02908	3.8
86.09718	1.6
91.03960	2.3
91.05489	5.0
93.07032	4.3
94.07404	0.5
95.01308	0.5
95.04995	1.1
95.08608	2.7
97.02900	3.2
97.06585	0.5
97.10191	1.3
98.23370	0.8
98.98483	0.4
99.04471	1.0
101.02422	1.5
105.07037	3.9
107.04982	0.8
107.08575	2.3
109.02906	0.6
109.10170	1.7
111.08108	0.4
115.05450	0.6
117.07039	1.0
119.08576	2.1
121.10159	1.2
125.00049	1.5
125.09655	1.5
127.03910	0.8
129.07047	0.4
131.08586	1.1
133.10143	2.3
135.08023	0.7
135.11742	1.4
145.10165	1.4
147.11705	1.1
149.09651	0.9
149.13234	0.7
156.33899	0.4
159.11755	0.9
161.09598	0.4
161.13229	0.7
163.11353	0.6
179.14395	0.9
184.07309	5.9
185.04311	0.6
185.07797	0.7
189.11324	0.9
203.05328	0.6
223.13333	0.5
227.12900	1.0
228.13113	0.6
241.06996	0.5
243.08417	3.4
245.13803	0.9
246.14320	0.6
291.19366	0.5
313.27509	1.2
314.27798	1.1
315.19373	2.1
331.18979	0.6
333.20520	0.5
371.22064	1.3
453.20792	0.4
484.37152	1.5
522.47919	0.4
533.27234	5.9
535.29047	1.4
549.26764	2.4
551.28235	3.8
556.74963	0.5
610.66211	0.4
843.48553	100.0
844.48859	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	843.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	4.7
67.05500	4.7
68.93495	0.4
69.03429	2.8
69.07060	2.5
71.04999	0.8
73.02911	3.4
79.05492	4.5
81.03425	2.0
81.07054	5.1
83.04996	0.9
83.08624	0.8
85.02914	4.2
86.09709	1.3
86.72504	0.4
91.03967	2.0
91.05485	4.6
93.07035	5.9
95.04978	1.0
95.08600	3.7
97.02897	4.1
98.22556	0.9
99.04478	0.6
101.02401	1.5
101.32769	0.5
103.03974	0.7
105.07028	4.0
107.04936	0.7
107.08591	3.2
109.02896	0.8
109.06524	1.0
109.10137	2.2
117.07018	0.8
119.08578	2.9
121.10157	1.4
123.08116	0.6
124.99991	0.7
127.03941	1.4
129.05531	0.6
129.06976	0.6
131.08580	1.9
133.10136	2.8
135.11668	1.0
143.08574	0.6
145.10150	1.4
147.11751	1.5
151.11232	0.6
157.10187	0.6
159.11693	0.5
161.13329	0.5
184.07359	4.0
185.04240	1.3
185.13113	0.5
243.08400	4.1
301.09070	1.4
313.17706	0.9
315.10541	1.0
331.18713	2.6
355.13828	0.7
371.16748	0.4
373.11160	0.9
451.19247	1.0
465.20822	1.0
466.10876	0.6
531.25446	2.6
535.28760	8.3
536.29340	0.8
549.26758	3.7
603.27808	0.5
607.31030	1.1
745.41345	3.1
773.42072	0.6
773.68616	0.5
774.40631	0.8
794.13806	0.5
825.47473	10.9
826.47839	1.3
843.48535	100.0
844.48883	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	845.5021
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	5.0
67.05502	4.3
69.03424	2.7
69.07069	2.1
71.01361	0.6
71.05000	0.7
71.08659	0.4
73.02915	3.9
79.05501	4.9
81.03430	2.0
81.07060	4.8
83.04980	0.7
83.08615	0.7
85.02916	3.5
86.09711	1.9
89.89394	0.4
91.03954	2.1
91.05487	4.8
93.07043	5.1
95.04976	1.3
95.08601	2.8
97.02892	3.7
97.06546	0.6
98.96817	0.3
99.04439	0.5
101.02354	1.8
105.07037	2.8
107.04988	0.3
107.08604	2.0
109.02927	0.5
109.06551	0.8
109.10156	1.0
115.03929	0.6
115.24354	0.4
117.07038	1.1
119.08578	2.4
121.10193	1.3
125.00036	1.6
127.03933	1.3
129.05553	0.5
129.07077	0.3
131.08598	1.6
133.10141	1.7
135.11726	1.6
143.08658	0.4
145.10191	0.7
147.11736	0.8
149.13290	0.5
157.10205	0.4
159.11705	1.1
161.13242	0.6
184.07326	7.3
184.08881	0.4
185.04277	1.1
185.07744	0.4
236.15031	0.5
243.08418	3.4
257.18774	0.4
301.08936	1.2
313.08975	0.6
315.10507	0.7
333.20486	1.3
343.87360	0.4
371.16943	0.6
439.19333	0.7
453.21014	1.2
465.20959	0.4
469.20566	0.5
535.28735	5.9
551.28271	6.9
551.36578	0.4
552.28638	0.9
600.46021	0.4
623.19891	0.4
623.29688	0.7
742.24811	0.4
747.42395	0.5
768.58484	0.4
820.00531	0.5
845.50128	100.0
846.50500	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	845.5015
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	4.5
67.05503	5.5
68.98988	1.3
68.99417	1.7
69.03426	3.5
69.07060	3.0
71.01366	0.8
71.04986	0.4
72.63939	0.3
73.02920	4.6
79.05489	6.7
79.05909	0.6
81.03429	1.6
81.07050	5.1
81.07513	0.3
83.04974	0.8
83.08617	0.7
84.43830	0.3
85.02904	5.0
85.04047	0.3
85.06551	0.4
86.09723	0.6
88.27722	0.3
91.03970	2.5
91.05476	6.2
93.07044	6.3
95.04975	1.7
95.08593	2.9
97.02895	4.2
97.06507	0.5
97.10197	0.5
99.04454	0.9
101.02402	1.5
103.26218	0.3
105.07029	4.0
107.04942	0.5
107.08587	2.8
109.02911	0.6
109.10172	1.4
112.31154	0.3
115.05463	0.4
117.07001	1.7
119.08596	2.4
121.10131	2.1
123.11684	0.5
127.03941	1.1
129.05469	0.7
129.07010	0.5
130.71346	0.3
131.08585	1.5
133.10091	2.1
135.11720	1.5
143.08566	0.7
145.10112	0.9
147.11722	1.0
149.13269	0.5
157.10104	0.5
159.11729	0.7
161.13309	0.5
171.11679	0.5
184.07393	1.3
185.04298	1.0
201.03717	0.5
203.05290	0.7
243.08356	3.7
259.20691	0.4
263.91965	0.3
296.60837	0.3
301.09058	1.3
313.08865	0.5
315.10535	0.9
329.58472	0.3
333.20303	3.6
333.23868	0.4
341.11990	0.4
371.17059	0.5
389.23325	0.4
397.18555	0.6
407.66907	0.3
431.24039	0.4
439.19879	0.9
453.21024	0.6
465.21103	1.0
469.20367	0.5
477.25549	0.4
535.28699	7.6
536.29272	1.1
541.22827	0.5
551.28217	6.0
552.28558	0.7
567.26886	0.4
613.14227	0.4
623.30524	1.4
627.47833	0.4
642.86267	0.4
683.43921	0.4
719.38080	0.4
845.50116	100.0
846.50452	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	845.5022
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92933	0.6
61.02937	3.8
67.05507	6.4
67.21650	0.6
69.03436	3.6
69.07069	3.2
69.37106	4.6
71.07368	0.7
73.02933	2.9
79.05488	6.3
81.03429	2.2
81.07054	5.3
83.08615	1.1
85.02902	4.5
86.09736	3.4
91.03964	2.4
91.05504	5.3
93.07050	5.7
95.04980	1.6
95.08635	2.8
97.02911	2.9
97.06524	0.7
97.10224	0.7
98.98502	0.8
101.02396	1.2
101.90376	0.7
105.07030	5.6
107.08632	2.5
109.02888	1.1
109.10186	1.1
117.07039	1.5
119.08607	2.6
121.10146	1.7
125.00040	2.0
127.03955	1.8
129.05560	0.6
131.08664	1.8
133.10178	2.2
135.11766	2.0
141.36421	0.6
142.99825	0.7
143.08536	0.7
145.10127	0.6
147.11765	1.3
149.09630	0.8
149.13315	0.8
161.13271	1.0
180.11043	0.7
184.07359	11.0
185.04350	1.5
185.07817	1.1
201.03705	0.7
243.08417	3.4
277.19409	0.6
301.09161	1.2
315.10580	0.9
333.20551	1.9
389.23209	0.8
465.21689	0.7
535.28821	7.6
536.28766	0.8
551.28326	4.2
552.28973	0.7
623.30524	0.9
845.50201	100.0
846.50690	17.9
878.58527	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5024
Annotation	Unknow
Peak:m/z	Relative Intensity
60.03954	1.2
61.02921	5.2
67.05517	8.3
69.03432	4.0
69.07059	3.9
69.42239	6.4
73.02917	4.9
79.05492	9.0
81.03428	2.9
81.07057	7.2
83.04975	2.0
83.08623	2.8
85.02917	4.2
86.09737	3.1
90.65978	1.3
91.03962	4.3
91.05488	5.7
93.07063	7.8
93.07561	1.2
95.04984	1.4
95.08611	7.7
97.02907	5.8
101.02395	2.5
105.07043	5.5
107.08588	3.1
109.06549	1.8
109.10162	2.7
117.07015	1.9
119.08589	4.1
121.10187	1.6
124.99998	1.7
127.03933	2.5
129.06985	1.4
133.10138	3.2
135.11635	2.1
145.10175	1.7
147.11688	2.1
171.11729	1.7
184.07332	13.2
243.08505	3.0
247.13092	2.6
253.50114	1.6
301.09064	2.6
313.27405	1.6
317.21155	1.6
354.66971	1.3
465.20844	7.9
533.26917	2.3
535.28674	10.4
536.29553	2.3
537.30133	1.9
551.28162	2.5
554.32892	1.2
707.36346	1.5
729.41217	1.9
747.42493	2.8
759.42767	67.0
760.43011	9.6
827.49255	10.4
845.49664	100.0
846.49738	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08143	0.5
61.02924	5.5
61.37784	0.4
66.43830	0.5
67.05506	2.1
68.14647	0.4
69.03433	3.8
69.07079	1.0
71.01367	0.4
71.08636	1.7
73.02916	4.7
79.05505	0.8
81.03443	2.2
81.07059	2.5
82.07385	0.5
83.08623	1.7
85.02908	7.4
85.10183	0.8
86.09708	2.2
87.04469	0.7
91.03958	3.9
93.07067	0.7
95.08601	2.1
97.02895	6.1
97.10190	1.5
99.04440	0.8
101.02396	1.9
107.08619	0.6
109.02896	1.1
109.10162	1.2
115.03927	0.6
125.00033	0.6
125.09669	1.4
127.03903	2.2
137.13272	0.5
140.44154	0.4
145.04964	0.8
184.07368	4.0
185.04292	1.7
185.07800	0.5
189.11282	0.6
203.05191	1.0
211.09486	1.2
236.15071	1.0
243.08492	1.5
245.14130	0.5
252.73286	0.6
267.12198	0.5
297.92950	0.4
313.27463	1.6
342.21490	0.4
347.09470	3.6
365.10718	1.2
405.13651	4.7
429.17270	6.9
497.30804	7.1
523.35724	0.8
591.22351	3.4
649.93787	0.5
659.36237	8.4
660.36664	0.9
685.41022	3.4
805.18042	0.5
847.46545	100.0
848.46790	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	847.5173
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	5.1
65.03935	0.6
67.05509	5.7
69.03430	3.9
69.07085	2.2
71.01369	0.5
71.04977	0.5
73.02912	4.3
79.05495	4.8
81.03421	2.2
81.07061	7.7
83.05009	0.6
83.08627	0.9
85.02905	5.8
86.09729	0.7
87.04496	0.5
91.03944	3.3
91.05483	3.8
93.07051	6.2
95.05003	0.9
95.08606	4.6
97.02891	4.5
97.06530	0.7
97.10179	0.6
99.04510	0.7
101.02390	1.5
105.07065	1.9
107.08594	3.2
109.02915	0.9
109.06561	0.7
109.09493	0.6
109.10119	2.5
116.67839	0.4
117.07048	1.0
117.82079	0.4
119.08620	1.5
119.95737	0.4
121.10181	1.8
123.11728	0.6
124.46455	0.5
125.00046	0.7
125.09659	1.0
127.03961	1.9
131.08615	1.6
133.10170	1.3
135.11711	0.7
147.11729	0.7
149.13338	0.8
153.33560	0.4
159.11703	0.7
167.16209	0.4
173.13322	1.0
184.07359	2.3
185.04295	0.6
236.15028	0.8
243.08424	2.8
313.27606	0.6
335.25659	0.7
351.21539	2.8
396.82504	0.5
453.21106	0.6
519.29260	5.6
537.30548	1.1
551.28363	0.6
569.29376	5.3
668.49213	0.6
717.38257	0.6
847.51721	100.0
848.52039	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	848.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04993	1.4
60.26210	0.8
61.02919	3.1
65.03967	1.2
67.05505	22.6
69.03422	2.6
69.07062	6.0
69.64386	3.1
71.04994	2.9
73.02882	1.0
77.03925	1.1
79.05495	36.8
79.21782	0.9
81.03429	7.5
81.07059	23.5
82.07394	1.0
83.01340	1.6
83.04981	10.8
83.08619	6.4
85.02906	4.7
85.06577	0.9
91.03953	1.9
91.05478	27.6
91.29861	1.0
91.40245	0.9
92.05804	1.1
93.07043	36.9
95.04962	10.9
95.08611	12.5
96.05317	0.7
97.02913	4.1
97.06523	4.3
97.10143	2.0
98.36604	0.8
99.04430	1.6
105.04517	1.3
105.07032	20.2
106.46933	0.7
107.04954	6.5
107.08599	11.1
109.06504	5.2
109.10193	2.0
111.04425	1.0
111.08067	1.9
117.07039	5.8
119.08591	13.1
121.06487	2.4
121.10134	5.8
123.08083	5.2
125.05972	1.1
125.09659	1.0
127.03957	1.8
129.07014	9.6
131.08524	1.5
133.06546	1.1
133.10150	6.2
135.08087	1.5
135.11708	5.6
139.07518	1.0
143.08580	4.6
145.06509	1.3
145.10117	10.6
147.08034	2.0
147.10608	1.4
147.11688	15.8
153.12767	1.2
156.09285	1.1
161.09660	1.7
161.13269	4.1
163.03850	0.8
163.11186	10.0
171.11719	11.0
173.09653	1.4
181.12227	2.0
189.12766	4.6
191.10712	1.6
204.82674	0.8
207.13809	14.2
209.11760	2.4
227.12706	1.5
246.07487	0.9
265.14380	2.1
281.17471	39.5
282.17664	1.7
283.15390	30.3
284.15839	2.0
471.27405	6.2
489.28479	100.0
490.28796	8.3
507.30145	0.9
668.36810	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04994	3.0
61.02927	10.7
65.03931	2.0
67.05504	100.0
68.05831	2.2
69.03428	4.2
69.07064	8.2
71.04992	3.7
71.08638	1.1
73.02914	4.4
79.05489	25.1
81.03439	2.1
81.07054	42.9
83.08620	9.8
85.02901	15.4
85.06548	3.0
86.09698	2.2
91.03958	7.6
91.05480	18.0
93.07040	28.4
95.04978	2.6
95.08605	28.0
96.04510	1.9
97.02896	7.6
97.06552	1.1
97.10194	3.1
98.22563	2.0
99.04478	1.0
99.08078	1.7
102.53540	1.1
105.07018	9.1
107.08591	16.8
109.10152	79.1
110.10481	2.5
111.08073	3.9
115.03892	1.1
117.07018	4.6
119.08581	14.3
121.10140	13.5
123.08112	1.2
123.11713	4.7
124.99969	1.6
125.09595	1.3
125.29815	0.9
127.03947	2.8
131.08549	7.3
133.10103	6.6
135.11693	8.3
137.09607	4.1
137.13283	1.8
145.04959	4.7
145.10104	6.1
147.11713	4.0
149.13239	5.3
155.10678	3.3
159.11697	4.8
161.13260	3.0
163.03914	1.4
163.06053	4.0
163.14864	3.1
173.11751	20.7
173.13248	3.8
184.07307	6.5
187.14854	1.9
189.11186	1.3
201.16389	1.3
227.12798	4.8
229.14340	94.7
229.68080	1.3
230.14677	2.2
236.14934	1.7
243.21141	6.3
253.76805	1.0
261.22116	22.9
291.50516	1.1
308.42490	1.0
317.24741	4.3
335.25793	81.2
336.26239	5.2
379.29843	1.0
397.31009	1.5
471.34430	2.2
489.35718	74.2
490.35870	6.1
507.36798	6.5
663.29639	1.4
848.50201	5.4
849.44495	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04994	3.0
61.02927	10.7
65.03931	2.0
67.05504	100.0
68.05831	2.2
69.03428	4.2
69.07064	8.2
71.04992	3.7
71.08638	1.1
73.02914	4.4
79.05489	25.1
81.03439	2.1
81.07054	42.9
83.08620	9.8
85.02901	15.4
85.06548	3.0
86.09698	2.2
91.03958	7.6
91.05480	18.0
93.07040	28.4
95.04978	2.6
95.08605	28.0
96.04510	1.9
97.02896	7.6
97.06552	1.1
97.10194	3.1
98.22563	2.0
99.04478	1.0
99.08078	1.7
102.53540	1.1
105.07018	9.1
107.08591	16.8
109.10152	79.1
110.10481	2.5
111.08073	3.9
115.03892	1.1
117.07018	4.6
119.08581	14.3
121.10140	13.5
123.08112	1.2
123.11713	4.7
124.99969	1.6
125.09595	1.3
125.29815	0.9
127.03947	2.8
131.08549	7.3
133.10103	6.6
135.11693	8.3
137.09607	4.1
137.13283	1.8
145.04959	4.7
145.10104	6.1
147.11713	4.0
149.13239	5.3
155.10678	3.3
159.11697	4.8
161.13260	3.0
163.03914	1.4
163.06053	4.0
163.14864	3.1
173.11751	20.7
173.13248	3.8
184.07307	6.5
187.14854	1.9
189.11186	1.3
201.16389	1.3
227.12798	4.8
229.14340	94.7
229.68080	1.3
230.14677	2.2
236.14934	1.7
243.21141	6.3
253.76805	1.0
261.22116	22.9
291.50516	1.1
308.42490	1.0
317.24741	4.3
335.25793	81.2
336.26239	5.2
379.29843	1.0
397.31009	1.5
471.34430	2.2
489.35718	74.2
490.35870	6.1
507.36798	6.5
663.29639	1.4
848.50201	5.4
849.44495	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04992	1.7
61.02924	5.2
65.03917	0.5
67.05505	8.7
68.05789	0.3
68.71517	0.3
69.03437	1.4
69.07072	3.3
71.01318	1.1
71.04996	2.8
73.02917	1.8
79.05492	12.7
81.03418	8.0
81.07059	10.9
83.00834	0.4
83.01334	6.7
83.04982	8.3
83.08618	7.9
84.09005	0.3
85.02905	9.4
85.06549	0.6
86.03254	0.3
91.03955	4.9
91.05477	7.6
93.07043	16.9
94.07373	0.4
95.04970	5.0
95.08047	0.4
95.08606	5.2
96.04495	0.5
97.02885	5.1
97.06532	3.5
97.10124	1.2
98.22628	0.7
99.04443	2.2
101.52142	0.3
103.05441	0.6
105.04520	0.6
105.06387	0.5
105.07025	6.5
107.04200	0.3
107.04946	5.7
107.08595	9.9
109.02847	0.7
109.06518	5.4
109.10154	1.6
111.04404	1.8
111.08104	1.6
111.11621	0.3
117.07013	5.6
119.07798	0.4
119.08579	5.5
121.06500	2.6
121.10140	5.6
123.04420	0.4
123.08068	7.0
125.05950	1.2
125.09598	1.1
127.03927	1.7
129.06982	1.2
129.12756	0.4
130.07747	1.1
131.08571	2.2
133.10100	1.2
135.08115	1.6
135.11690	8.7
136.12032	0.5
137.09558	1.3
139.07526	0.5
139.11145	0.3
143.08513	0.9
145.04942	1.7
145.06454	0.7
145.10121	11.7
146.10454	0.5
147.08029	1.6
149.02327	0.6
149.05913	0.5
149.09595	0.7
153.09175	0.4
153.12776	2.4
155.08521	1.0
163.06007	2.1
163.11180	17.5
164.11496	0.8
165.09056	0.3
173.09621	2.4
181.12263	2.7
191.10666	2.0
209.11737	4.7
210.12053	0.4
227.12804	2.9
265.14554	0.5
283.15393	100.0
284.15765	5.3
427.19742	0.5
473.25458	0.6
491.26379	55.5
492.26691	4.8
635.30750	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	2.2
61.02928	5.0
65.03923	0.5
67.05505	7.9
69.03427	1.8
69.07065	7.6
71.01347	0.8
71.04990	2.7
73.02912	2.4
79.05492	14.4
81.03413	9.5
81.07053	10.2
81.25024	0.4
82.07379	0.3
83.01339	7.2
83.04982	8.9
83.08157	0.6
83.08616	8.2
85.02437	0.6
85.02901	8.1
85.06502	0.8
91.03957	4.3
91.05476	10.6
91.49208	0.4
93.07040	16.5
95.04963	5.9
95.08599	5.3
97.02888	4.6
97.06529	3.0
97.10124	1.5
99.04453	2.9
105.06374	0.6
105.07024	6.4
107.04957	5.9
107.07859	0.5
107.08591	9.1
109.02836	1.2
109.06505	5.0
109.10132	1.4
111.04446	2.2
111.08047	1.5
111.11696	2.5
117.07010	5.3
119.08573	6.2
121.06496	2.6
121.10146	6.2
123.04433	0.5
123.08072	6.4
125.05954	1.5
125.09623	0.7
127.03902	2.2
129.06979	1.0
129.12753	3.8
130.07774	0.6
131.08571	2.5
133.10130	2.1
135.08012	1.3
135.11687	8.5
137.09598	1.4
139.07567	0.6
143.08530	0.7
145.04945	1.5
145.06471	0.9
145.09016	0.6
145.10120	11.3
147.07990	1.6
147.11673	0.7
149.02345	4.2
149.05939	0.4
149.09555	0.7
151.11165	0.4
153.12729	1.8
155.08548	1.4
159.87521	0.4
161.09526	0.7
163.06042	2.0
163.11177	19.6
164.11505	0.7
164.75891	0.4
167.03374	1.4
173.09625	3.1
181.12216	2.4
191.10628	2.5
209.09941	0.5
209.11742	5.6
213.05412	0.4
227.12752	3.8
265.14325	0.5
267.15869	1.2
283.15387	100.0
284.15814	4.9
299.14740	0.6
304.99817	0.4
348.77975	0.3
353.16150	0.6
371.16980	0.5
427.19495	0.4
473.25351	0.7
491.26361	54.7
492.26627	5.3
635.29761	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	2.0
61.02928	5.2
65.03954	0.3
67.05508	7.7
69.03439	1.9
69.07076	2.0
69.82499	0.9
71.01335	0.9
71.04996	2.5
71.21084	0.3
73.02923	1.9
79.05495	13.4
81.02996	0.6
81.03423	8.0
81.07059	11.2
83.01344	7.2
83.04983	6.6
83.08165	0.5
83.08622	6.5
85.02447	0.6
85.02911	9.4
85.06515	0.9
91.03968	4.3
91.05484	8.6
91.49155	0.5
93.07047	17.3
94.07340	0.5
95.04970	4.0
95.08603	4.7
97.02371	0.4
97.02895	4.7
97.06535	3.7
97.10152	0.9
98.23275	0.4
99.04440	2.4
105.04540	0.5
105.07034	6.3
107.04958	5.3
107.07869	0.5
107.08594	8.3
109.06513	5.2
109.10119	1.4
111.04417	1.8
111.08068	1.2
117.07016	4.8
119.07792	0.4
119.08594	6.8
121.06516	2.2
121.10147	4.9
122.10441	0.5
123.04370	0.5
123.08071	5.9
125.05959	1.1
125.09606	0.8
127.03903	1.5
129.06987	1.3
130.07799	1.0
131.08574	2.2
133.10127	1.4
135.08023	1.0
135.11696	8.4
137.09596	0.8
138.10289	0.4
139.07532	0.5
143.08536	0.7
144.06631	0.4
145.04941	1.9
145.06433	0.6
145.10121	10.5
147.08028	1.6
149.09659	0.5
151.11128	0.4
153.12749	2.0
155.08528	0.6
163.06049	2.1
163.11185	21.1
164.11539	0.7
173.09659	2.5
181.12244	2.6
191.10626	1.6
209.11726	5.2
227.12889	2.3
257.60342	0.3
279.50140	0.4
283.15402	100.0
284.15701	4.7
334.69290	0.4
491.26398	54.8
492.26843	4.4
748.34070	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.6006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06932	0.5
67.05498	0.3
68.98650	1.7
69.03442	0.3
69.07053	0.2
70.06592	100.0
71.06937	1.2
71.07300	0.2
79.05492	0.5
81.07069	0.3
81.65101	0.2
83.06100	2.6
83.08622	1.5
84.04509	2.9
85.10188	0.3
86.09704	4.3
86.16161	0.2
90.79676	0.2
93.07013	0.4
99.15594	0.2
100.11264	0.9
101.07149	1.0
103.08707	1.2
110.70765	0.2
114.09189	0.5
118.12295	1.1
121.80965	0.2
124.72139	0.2
125.00008	0.4
128.10722	2.7
129.06577	0.5
130.73318	0.2
153.01880	0.2
156.10283	0.4
160.13321	0.6
166.09679	0.2
171.14952	0.8
180.06546	0.3
181.09731	0.3
183.14932	38.3
184.07338	2.7
184.15227	1.5
197.09196	0.5
198.07471	0.2
199.14487	0.5
204.44713	0.2
207.99641	0.2
210.15990	1.4
211.14417	33.8
212.14758	1.2
214.11868	2.5
228.17128	0.3
229.15465	1.7
240.23280	1.2
268.20117	0.8
268.22751	3.2
270.18118	6.8
271.16418	2.4
288.19141	3.1
288.22083	0.3
296.19681	42.0
297.20084	2.2
313.22244	0.6
356.21756	0.4
365.27991	9.9
366.28311	0.5
373.24487	1.6
379.23349	0.5
396.26038	0.5
406.24542	0.4
407.23129	0.5
410.02933	0.2
424.25531	10.1
425.26193	1.0
450.36993	0.4
478.36401	13.2
479.36642	0.6
486.32602	0.3
523.36072	0.6
563.41626	7.7
564.41901	0.7
565.37366	0.5
566.35895	1.6
583.38129	25.7
584.38409	2.4
800.38892	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
59.63670	0.5
61.02924	6.8
65.03944	1.1
67.05503	14.5
69.03424	3.1
69.07067	4.9
69.10175	4.9
71.01360	1.1
71.04987	3.3
73.02914	1.8
77.03928	0.5
79.05490	19.8
80.05819	1.1
80.23331	0.5
81.03417	38.0
81.07054	18.3
81.07485	0.4
82.03746	0.8
83.01333	4.2
83.04980	12.2
83.08616	16.6
85.02904	20.0
85.06550	1.7
87.04496	0.7
88.21042	0.5
91.03944	4.7
91.05477	20.3
93.07042	20.2
94.07355	0.9
95.04967	14.9
95.08601	7.0
96.05309	0.6
97.02885	6.5
97.06536	4.8
97.10152	2.2
99.04457	2.1
99.08102	0.5
105.07027	12.8
107.04963	7.9
107.08590	11.3
109.02869	0.7
109.06519	5.6
109.10150	2.4
111.04440	2.6
111.08079	6.4
113.06006	1.6
115.03948	0.5
115.05461	0.6
117.07018	4.1
119.08581	12.9
121.06521	2.6
121.10145	7.2
122.10574	0.6
123.08060	5.9
123.11723	1.1
125.05988	1.3
125.09615	1.6
127.03951	2.4
129.06987	6.2
129.07782	0.7
130.07756	0.8
131.08574	7.0
133.06505	1.6
133.10126	5.3
135.08037	0.9
135.11700	6.4
137.09648	1.3
142.07841	0.8
145.04974	2.1
145.06534	1.1
145.10115	9.1
147.08072	2.2
147.11673	7.4
149.09601	3.2
153.12740	1.8
155.08553	1.4
157.10127	7.5
163.06068	1.8
163.11179	12.5
165.12759	2.0
173.09636	2.1
175.11174	8.3
181.12251	1.7
191.10718	2.2
191.21143	0.6
193.12230	21.6
194.12566	1.2
209.11661	2.9
211.13286	29.3
212.13661	1.2
213.05673	0.6
227.12807	2.8
249.15166	0.5
267.15878	7.6
283.15399	49.0
284.15942	3.2
285.16943	24.8
286.17203	1.0
365.21384	0.6
383.22076	2.9
401.23300	1.5
431.24139	0.6
457.25671	4.0
475.26892	16.8
476.27020	1.1
493.27942	100.0
494.28287	11.1
549.40338	0.5
689.13336	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	10.2
65.03913	0.8
67.05502	17.1
69.03424	3.0
69.07071	11.0
70.06599	1.1
71.05004	2.5
71.08630	20.1
71.28414	1.3
73.02924	3.6
79.05487	13.8
81.03413	7.5
81.07054	21.6
81.07528	1.4
83.01366	4.2
83.04988	7.7
83.08621	12.7
85.02903	16.4
85.03378	1.6
85.06550	1.4
85.10175	10.5
85.82231	0.7
86.09713	3.4
89.06033	1.8
91.03950	8.3
91.05486	11.0
93.07039	15.5
94.07414	0.9
95.04940	4.4
95.08608	19.9
97.02885	9.0
97.06540	3.5
97.10162	3.6
98.09699	2.4
99.04456	2.4
103.07611	1.4
105.07029	6.9
107.04948	6.8
107.08595	9.2
109.02863	0.9
109.06531	4.7
109.10152	8.6
110.06030	1.5
111.04433	1.5
111.08099	1.6
111.11723	1.5
113.06090	0.8
115.03938	1.0
115.05452	1.2
117.07013	6.5
119.08579	6.8
121.06525	2.7
121.10110	4.8
123.08080	5.1
123.11697	3.2
123.87690	0.9
124.07468	1.0
124.99975	2.0
125.05956	0.8
125.09623	1.9
127.03919	5.5
128.07039	1.1
129.06999	1.0
131.08589	3.4
133.10135	2.4
135.08037	1.5
135.11705	7.8
143.08545	1.1
145.04961	3.6
145.06514	0.9
145.10114	9.0
147.08087	1.8
147.11655	0.9
153.12759	1.6
159.11716	1.0
163.06024	5.8
163.11191	13.5
173.09624	1.8
181.12270	2.1
184.07349	13.9
191.10698	1.4
209.11693	5.6
211.20612	3.3
227.12805	2.6
229.21564	1.9
247.49661	0.9
275.20062	1.1
283.15396	81.4
284.15805	3.2
285.24222	98.8
286.24561	4.6
289.17996	0.8
291.19525	3.6
296.18378	1.5
310.20230	1.1
333.30389	1.0
365.23096	2.4
493.35229	100.0
494.35623	9.8
608.44940	4.6
626.46283	2.2
655.41425	2.1
715.27039	1.1
852.45825	1.4
853.45740	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	852.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.7
67.05507	20.0
69.03432	7.7
69.07070	22.6
70.07417	0.5
71.04990	1.5
71.08634	0.5
79.05495	20.4
81.03425	4.8
81.07056	17.1
81.07528	1.0
83.04979	3.6
83.08617	6.5
85.02914	0.8
85.06516	1.0
85.10174	0.5
86.09710	1.6
91.05481	16.9
92.72079	0.4
93.06472	0.9
93.07047	15.2
93.07633	0.9
95.01286	0.6
95.04964	6.7
95.08610	8.0
97.02896	7.9
97.06521	3.8
97.10172	10.4
99.04420	0.5
100.11244	0.4
103.05469	0.6
104.43148	0.4
105.03377	0.6
105.04504	0.7
105.07027	11.5
106.43615	0.3
107.04953	6.9
107.08601	9.9
108.05761	0.5
108.08912	0.6
109.02898	0.6
109.06508	2.2
109.10164	6.0
111.04470	1.4
111.08087	1.9
115.05451	1.4
117.07011	6.6
119.04937	1.0
119.07776	0.9
119.08578	10.4
121.06528	3.1
121.10149	3.8
123.04406	1.1
123.08060	3.2
124.99988	1.4
125.09623	7.9
128.06285	0.9
129.05516	0.5
129.07014	3.4
130.07793	0.4
131.08565	7.9
133.06523	3.2
133.10146	4.2
134.07281	1.2
135.08046	3.4
135.11671	2.5
137.09628	1.8
141.06976	0.7
142.07784	0.9
143.08563	3.3
145.06499	1.0
145.10124	4.7
147.08061	5.2
147.11725	2.7
149.05981	0.5
149.09636	1.4
149.13271	1.9
151.07556	0.5
151.11176	0.7
153.09068	0.8
155.08473	0.5
157.10089	2.7
159.08041	1.1
159.11676	2.6
161.09589	2.4
162.10420	0.9
163.11180	1.6
165.09102	1.9
169.10136	0.6
169.12280	0.6
171.10223	0.8
171.11684	1.6
173.11699	0.5
175.11197	2.1
177.12756	1.4
184.07336	4.9
185.13255	0.6
187.11118	0.7
187.13292	0.6
189.11234	3.9
189.12743	0.8
193.12280	0.9
195.13776	1.3
197.09698	0.4
199.11142	0.7
205.12202	2.0
211.13248	0.7
213.14857	0.5
223.13287	16.1
227.12790	5.4
227.17911	1.0
245.19032	1.5
249.14862	3.5
255.17424	0.8
263.20096	0.8
267.15891	1.2
271.16879	0.5
273.18478	14.0
274.18863	0.7
275.20215	0.5
283.15439	1.0
289.18121	0.9
291.19537	100.0
292.19876	5.8
309.20584	0.7
347.22150	3.5
363.21588	0.7
365.23224	42.5
366.23581	3.2
386.79388	0.5
455.82458	0.4
531.68213	0.4
535.32788	0.8
557.34546	1.7
575.35437	1.0
587.35150	0.7
637.40906	2.5
655.41968	37.4
656.32410	0.4
656.42389	5.3
817.47455	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08155	0.8
61.02914	0.8
65.03945	3.6
67.05502	45.9
68.99535	5.9
69.03426	10.4
69.07067	27.1
71.04992	5.3
71.07381	0.8
79.05019	1.2
79.05488	32.8
81.03413	7.6
81.07053	46.8
82.07360	0.7
83.04989	9.4
83.08619	10.1
85.02909	2.1
85.06555	4.0
86.09697	3.1
91.05479	42.8
92.05811	0.8
93.07037	30.6
93.07629	1.5
95.01320	0.9
95.04967	13.3
95.08601	16.4
97.02898	6.8
97.06506	5.1
97.10170	9.5
99.04433	2.3
103.05474	1.6
105.03364	0.9
105.04549	1.9
105.07028	38.0
106.07349	0.9
107.04950	9.9
107.08594	29.1
108.05735	0.8
108.08900	1.1
109.02874	0.8
109.06538	4.8
109.10152	35.9
110.10457	1.0
111.04424	1.4
111.08073	3.9
113.02110	0.6
113.05967	0.8
115.05466	1.7
116.06200	0.9
117.07009	10.4
119.04925	2.5
119.08588	13.2
121.06499	9.3
121.10133	6.9
123.04391	1.4
123.08054	4.8
123.11693	5.6
124.99997	2.9
125.09622	7.6
127.07571	2.0
128.06206	1.3
129.07010	5.9
131.04903	0.9
131.08556	11.4
133.06512	5.4
133.10123	42.3
134.07307	1.1
134.10429	1.5
135.08044	7.9
135.11685	5.1
137.05942	0.8
137.09612	2.9
141.06952	1.2
142.07780	1.9
143.08559	5.4
145.06427	1.5
145.10127	8.3
147.08047	6.3
147.11699	4.8
149.09618	5.3
149.13223	2.0
151.11176	18.8
153.09097	1.1
155.08537	1.6
157.10098	3.0
159.08038	1.9
159.11685	4.4
161.09607	7.5
161.13234	1.9
163.07561	1.2
163.11171	2.8
165.09129	1.4
167.08440	0.8
169.10103	1.2
169.12244	4.8
171.11673	3.0
173.09561	1.5
173.13271	1.3
175.11215	3.8
177.09125	1.2
177.12718	2.0
179.10637	1.8
183.11716	1.2
184.07332	11.4
185.13217	1.0
189.11180	2.9
189.12753	2.0
193.12177	1.2
195.11743	1.5
195.13646	0.6
199.11192	1.7
203.14377	1.0
205.12236	2.3
209.13403	0.8
215.12790	2.4
223.13310	13.3
227.12709	4.3
227.17924	1.6
231.13857	0.9
237.16359	0.9
238.30565	0.7
245.19000	3.9
249.14798	3.2
251.12843	2.6
253.14337	83.8
254.14740	3.6
255.17369	2.2
263.20047	2.1
273.18475	31.5
274.18881	1.7
291.19519	100.0
292.19720	4.9
309.20505	1.6
329.21021	0.9
347.22128	9.9
365.23221	38.9
366.23651	2.0
543.32880	4.4
557.34790	1.2
559.32678	1.6
561.34167	14.5
573.33942	0.8
637.41028	6.8
638.40930	1.0
655.41937	23.9
656.41913	3.1
852.46936	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.51
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	0.9
65.03946	1.5
67.05503	22.6
69.03429	8.9
69.06688	1.4
69.07069	27.9
70.06601	1.8
71.04997	2.2
71.07366	1.3
71.08653	1.5
79.05492	20.4
79.05938	0.7
80.93992	0.7
81.03420	5.2
81.07056	20.8
81.07527	1.3
83.04968	5.9
83.08617	6.8
85.02907	1.7
85.06533	1.3
86.09718	5.6
91.05477	18.5
93.07042	16.8
95.01335	1.2
95.04968	7.2
95.08611	9.7
96.50372	0.8
97.02897	7.8
97.06532	4.7
97.10170	10.3
99.04446	1.4
103.05427	1.2
105.07030	14.2
107.04953	6.5
107.08593	11.9
109.02878	1.8
109.06512	3.3
109.10148	10.8
111.04471	1.4
111.08081	2.1
117.07011	7.3
119.04922	2.5
119.08575	10.3
121.06496	3.0
121.10152	4.4
123.08046	4.6
123.11710	1.6
125.00028	2.8
125.09636	8.5
127.03899	1.5
128.06261	0.9
129.07005	2.7
130.07750	0.9
131.08551	8.4
133.06499	3.5
133.10127	6.9
134.07248	1.0
135.08041	3.5
135.11710	2.5
137.04002	0.9
137.09607	1.9
143.08525	2.2
145.10149	5.6
147.08057	6.1
147.11687	2.8
149.09645	2.4
149.13315	2.2
150.04916	0.8
151.11211	2.3
152.22034	0.9
153.09103	1.2
157.10112	3.0
159.08167	1.1
159.11703	2.8
161.09607	2.6
162.10414	1.5
163.11180	2.8
165.09070	1.5
169.12242	1.1
171.10239	1.2
173.09642	0.9
175.11183	2.0
177.12883	1.2
181.12151	1.2
184.07347	16.6
189.11281	4.4
195.13779	1.2
213.12955	0.9
223.13300	15.0
227.12804	5.1
245.18944	1.7
249.14851	2.5
253.14326	3.0
255.17445	2.0
267.15961	0.9
273.18503	16.4
274.18988	1.0
275.20084	1.4
283.15402	3.1
285.24289	3.7
289.17966	1.0
291.19537	100.0
292.19894	5.4
347.22171	1.5
349.23706	1.2
365.23203	38.7
366.23618	4.4
413.17606	1.1
493.35190	2.6
575.34753	1.3
617.62872	1.0
626.45642	1.5
637.40533	3.2
655.42029	39.8
656.42334	5.8
740.71124	0.9
798.82556	1.0
852.46454	1.9
853.45422	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	852.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	6.5
63.88617	0.3
65.03932	1.0
67.05506	27.0
69.03423	1.6
69.06689	0.4
69.07068	11.2
71.01364	2.3
71.04996	2.1
71.08634	15.6
73.02930	2.1
77.03926	0.4
79.05496	18.1
81.03412	2.9
81.07056	17.0
82.07401	0.5
83.04980	6.0
83.08146	0.6
83.08627	8.4
85.02904	6.1
85.06541	2.1
85.10185	10.8
86.09695	0.8
89.06050	0.6
91.03960	3.6
91.05482	8.1
93.07048	24.1
95.04987	1.8
95.08608	16.3
96.08933	0.8
97.02897	3.3
97.06534	5.8
97.10169	8.1
97.84141	0.3
98.23383	0.9
99.04463	0.7
99.08090	1.5
99.11744	0.6
103.07570	0.6
103.31177	0.4
105.04557	0.5
105.07073	2.1
107.04960	1.0
107.08598	15.3
109.06526	0.7
109.10151	8.8
111.08084	1.5
111.11702	1.0
117.07027	2.2
119.06025	0.4
119.08562	3.0
121.06507	0.7
121.10142	2.8
123.11710	2.8
124.54487	0.4
125.09664	1.0
125.13302	0.4
127.03920	1.0
133.10158	2.9
134.10495	0.7
135.08046	0.4
135.11693	24.9
136.11984	0.6
137.09633	0.7
137.13272	0.7
145.04979	1.3
145.10146	4.6
146.10394	0.4
153.12715	2.1
163.05981	1.7
163.11183	3.7
173.97685	0.4
181.12241	4.2
184.07358	1.6
199.13304	0.7
229.14374	1.3
239.23717	1.4
253.14383	0.5
255.15910	43.0
256.16306	1.7
257.24759	1.0
312.31360	0.4
313.27356	37.2
314.27554	3.1
335.26019	0.6
339.28931	1.1
492.37766	0.9
493.38858	100.0
494.39194	9.6
735.65735	0.4
807.95599	0.4
853.50122	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	4.6
69.03432	27.8
69.07067	5.1
71.04995	1.7
73.56879	1.3
76.28819	1.4
79.05505	1.9
81.03421	11.8
81.07059	2.0
83.04982	3.4
83.08634	1.6
85.02918	8.8
93.07022	2.3
97.02898	100.0
98.03252	1.9
98.22537	2.2
99.04459	6.0
99.11736	67.6
107.08614	2.5
109.02881	11.8
109.10173	10.7
111.04469	1.5
124.99986	2.0
127.03922	65.0
127.11200	70.4
128.04333	1.4
128.11562	2.3
131.08522	1.2
145.04956	5.7
145.12282	3.8
184.07349	5.1
188.10307	1.3
211.13344	2.3
213.11279	5.6
229.36337	2.1
232.10544	1.3
241.10684	3.1
241.18062	5.2
253.14401	2.9
259.11792	1.3
260.32785	1.5
271.15424	45.5
272.15775	1.6
289.16440	7.7
296.80481	1.7
385.22382	2.5
397.25854	13.1
403.23209	7.3
415.26883	16.6
473.71152	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	5.3
62.33922	1.0
67.05507	4.5
69.03448	5.2
69.07081	1.4
71.29620	1.6
73.02931	3.5
79.05507	5.7
81.03436	3.6
81.07080	3.6
85.02916	7.4
91.03980	3.7
91.05489	5.8
93.07049	4.8
95.04975	1.8
95.08618	2.7
97.02892	7.0
99.04493	1.6
101.02365	1.9
105.07059	4.1
107.08621	2.2
109.02891	1.1
109.06526	1.1
109.10155	1.4
117.07016	1.3
119.08620	1.7
123.08002	1.2
127.03931	2.5
129.07053	1.0
133.10190	1.9
145.04974	1.2
145.10130	2.0
147.11705	2.3
163.11201	1.2
223.15762	1.0
243.08438	2.9
281.17780	1.6
345.13104	1.0
347.09641	2.9
365.10834	1.1
368.85190	1.0
370.63980	1.6
405.13678	5.8
437.52682	1.0
465.20883	9.5
467.18900	5.7
627.26343	10.5
629.24292	3.6
691.32892	1.7
853.38190	100.0
854.38593	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	854.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	0.3
65.03951	0.5
67.05475	0.3
69.03439	1.2
71.29903	0.2
72.80695	0.2
81.03419	0.9
83.04986	35.5
84.05319	0.9
85.02918	3.2
85.06548	0.7
91.05484	7.1
94.50638	0.2
95.04996	0.4
97.02897	0.8
97.06541	0.4
99.00854	0.4
101.06039	0.4
107.04942	1.3
109.02872	0.4
119.04949	19.7
120.05303	0.7
122.09679	0.8
127.03898	0.6
138.09135	0.6
143.04910	0.3
145.04977	0.7
147.04414	100.0
148.04767	3.2
157.06564	0.6
159.04446	0.5
163.06065	0.3
165.05502	10.9
165.07002	0.8
166.05890	0.4
167.08566	0.5
171.04381	0.7
177.05476	1.0
183.08076	0.9
185.06032	0.4
185.09679	0.4
195.08029	1.0
199.06061	0.7
201.09155	0.3
211.07561	1.4
213.09105	4.5
214.09404	0.2
229.08640	4.0
231.10185	3.1
247.09668	37.7
248.10062	2.3
265.10724	2.3
283.11728	0.7
287.05530	1.3
313.14331	0.3
330.47769	0.3
386.14404	0.2
393.13208	0.3
411.14474	1.6
523.86505	0.2
538.06891	0.3
720.38110	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08146	3.1
60.86033	1.3
61.02930	1.7
65.03926	5.1
67.05503	87.2
69.03436	11.1
69.07067	36.7
71.05004	9.0
71.08627	1.7
76.54885	1.3
79.05491	68.9
81.03425	15.9
81.07054	100.0
82.07376	2.7
83.04973	18.5
83.08616	13.7
85.02886	6.9
85.06542	7.7
86.09698	10.1
87.04437	1.7
89.06020	3.0
91.05476	89.0
92.05815	1.9
93.07040	68.4
95.04971	19.4
95.08604	40.4
95.09212	1.2
97.02881	5.0
97.06536	17.2
97.10162	5.2
99.04431	3.5
99.08092	3.5
100.11266	1.8
103.05472	2.7
104.84301	1.5
105.04497	4.0
105.07028	74.2
106.07339	2.1
107.04950	19.5
107.08587	49.3
109.02844	2.4
109.06529	11.2
109.10158	52.9
111.08083	8.2
113.05997	3.0
115.05484	3.6
117.07016	18.1
119.04974	1.6
119.08578	32.1
121.06512	15.2
121.10132	15.1
122.10445	1.7
123.08106	7.7
123.11709	10.2
124.99998	6.7
125.09641	4.7
125.69553	1.3
127.03893	4.0
127.07603	1.7
128.06201	2.3
128.35864	1.6
128.63116	1.4
129.05434	2.3
129.07045	8.5
130.07852	1.6
131.08563	25.4
133.06448	5.1
133.08542	3.4
133.10126	78.5
134.10513	2.6
135.08022	9.2
135.11685	15.7
137.09619	5.4
139.07495	1.9
141.06992	3.4
143.08540	6.7
144.09319	1.9
145.06436	2.5
145.10120	18.4
147.08031	6.7
147.11691	12.4
149.09616	19.6
149.13235	8.6
151.11174	30.8
155.08539	3.3
157.10091	6.4
159.07996	3.7
159.11697	11.1
161.09607	8.1
161.13249	5.3
163.11163	10.6
165.09164	1.7
165.12819	2.5
169.10132	3.6
169.12234	6.3
171.11665	6.1
173.09601	2.2
173.13327	4.0
175.11198	4.6
177.09067	2.4
177.12782	3.9
179.10738	2.2
179.14325	4.8
181.12189	3.1
183.11693	2.8
184.07339	29.8
185.13240	2.9
187.14902	1.7
189.12701	2.4
195.11913	1.5
195.13803	5.4
197.13362	2.4
207.13748	1.8
209.11694	2.1
215.12775	4.9
227.12779	4.5
239.17928	2.2
245.19019	4.7
247.20569	2.2
251.12691	1.7
251.16507	1.8
253.14340	99.1
254.14578	2.9
255.15825	6.1
257.18991	7.0
263.20120	2.9
269.17410	15.4
271.15378	3.4
273.18500	25.5
273.21402	2.1
275.20023	29.1
276.20300	1.9
291.19568	25.0
293.20966	3.7
309.20444	3.4
309.89380	1.4
313.21606	1.5
347.22153	9.1
349.23703	22.0
365.23163	25.6
367.24692	4.2
396.23993	1.5
447.27316	3.7
451.27249	2.9
465.28644	8.2
527.33856	3.0
541.34808	4.2
545.34729	18.3
546.34937	2.3
559.36340	33.8
560.36072	3.0
588.34351	1.6
639.41992	10.2
657.42902	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	854.5253
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	2.1
65.03931	3.5
67.05506	52.6
69.03432	13.6
69.07071	40.9
69.66258	2.2
69.66642	2.4
70.01242	0.9
71.05023	4.7
73.02937	1.4
77.03926	1.5
79.05493	52.0
81.03422	11.7
81.07059	54.2
83.04984	10.0
83.08619	15.5
85.02902	3.4
85.06550	3.2
91.05482	40.3
92.05804	1.2
93.07043	42.4
94.07383	1.0
95.01332	1.2
95.04961	14.5
95.08609	24.7
97.02892	10.6
97.06538	13.8
97.10168	19.8
98.22624	1.1
99.08131	1.3
103.05473	1.7
105.07030	30.5
105.23532	1.0
107.04954	11.8
107.08597	31.5
109.06496	4.8
109.10155	14.0
111.04415	1.3
111.08104	3.6
115.05435	2.4
117.07016	18.9
119.05001	2.4
119.08576	19.8
119.09351	1.7
120.08900	1.2
121.06505	6.4
121.10143	13.5
123.04461	1.4
123.08066	5.3
123.11724	3.8
125.09637	11.8
127.03895	2.3
128.06238	1.3
129.06992	7.7
130.07799	1.5
131.08582	16.5
133.06482	5.6
133.10133	16.6
135.08043	8.2
135.11719	9.0
137.09631	4.2
139.07553	1.2
140.75963	1.0
141.07022	1.9
142.07788	1.3
143.08592	5.5
145.06516	1.0
145.10118	12.5
147.08034	7.4
147.11679	9.1
149.09618	8.9
149.13216	7.5
151.11186	3.4
153.09106	2.1
155.08580	1.7
157.10118	4.6
159.08047	1.9
159.11723	9.7
161.09663	2.8
161.13292	2.7
163.11185	7.8
165.09067	1.9
169.10121	2.3
169.12268	1.2
171.08008	1.0
171.11722	3.8
173.13295	3.2
175.11241	2.2
177.12767	3.5
179.14352	2.4
185.13290	2.2
187.14769	1.5
189.11197	5.8
189.12720	1.1
195.13783	4.8
197.13258	1.3
199.14865	1.3
205.12219	1.5
213.14735	1.2
223.13277	19.8
227.12779	8.8
227.81264	1.1
229.19588	1.1
239.18079	1.8
245.19064	2.0
249.14848	3.8
253.14368	4.0
255.15631	4.7
257.19046	5.8
263.20139	1.4
267.15933	1.8
269.17447	13.7
273.18454	15.6
275.20059	18.8
276.20688	1.2
291.19534	100.0
292.19962	5.7
309.20493	1.6
331.22659	1.4
347.22067	2.8
349.23737	17.6
350.24219	1.2
365.23270	42.2
366.23624	2.2
367.24652	1.3
461.29156	1.6
466.57385	1.1
511.58768	1.0
535.33221	1.2
541.35345	1.6
545.34680	13.3
546.34833	1.3
559.36334	40.5
560.36658	4.0
639.42444	16.0
640.42822	2.0
657.43384	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	854.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	2.8
63.03489	1.4
65.03939	3.3
67.05505	59.8
69.03426	10.0
69.07070	41.0
71.04974	4.4
74.74484	1.3
79.05493	54.8
81.03419	14.1
81.07057	63.8
83.04984	9.6
83.08617	15.4
85.02927	3.2
85.06561	4.3
85.35439	1.2
85.95425	1.3
91.05481	51.9
93.07045	51.4
95.04972	18.0
95.08607	23.7
96.81265	1.3
97.02908	10.0
97.03488	1.5
97.06528	13.8
97.10173	17.5
99.04471	1.5
99.08108	2.6
99.54927	1.3
105.04516	2.2
105.07032	40.1
106.07388	1.4
107.04957	14.7
107.08596	37.7
109.02904	2.7
109.06508	8.4
109.10143	19.6
111.04494	1.8
111.08096	5.4
115.05447	3.1
117.07009	14.0
119.06173	1.5
119.08576	24.7
121.06503	7.5
121.10137	15.3
123.08079	6.4
123.11714	4.5
125.09616	10.0
127.03899	1.6
128.06224	1.5
129.05499	2.2
129.06976	7.3
130.07779	1.3
131.08569	16.2
133.06502	5.3
133.10114	25.3
133.11058	1.9
135.08080	6.5
135.11705	10.9
135.31203	1.3
137.09657	4.4
141.07062	3.1
143.08545	7.7
145.10126	14.9
147.08041	8.1
147.11719	9.1
149.09607	11.2
149.13255	9.8
151.11205	8.9
153.09184	1.9
155.08562	2.5
157.10143	6.0
159.08066	2.1
159.11682	11.3
160.12033	1.7
161.09604	4.6
161.13298	3.4
163.11191	7.6
165.09178	1.7
165.12712	1.7
169.10153	3.6
169.12221	3.1
170.17560	1.5
171.11685	3.0
173.13290	3.6
175.11238	3.9
177.12813	4.9
179.14325	2.4
184.07414	2.7
185.13283	3.4
187.11209	2.4
189.11226	5.3
189.12796	2.2
195.13828	5.1
197.13411	1.4
205.12268	2.0
207.79182	1.3
222.05737	1.3
223.13269	17.2
224.13753	1.4
227.12711	8.8
229.02591	1.6
239.17943	3.1
245.18930	2.7
249.14932	3.1
251.16565	2.0
253.14348	16.6
255.15956	5.4
257.19046	5.0
263.20163	2.0
267.15918	2.2
269.17441	26.5
273.18460	21.5
275.20041	18.8
282.75842	1.5
291.19525	100.0
292.19803	7.2
292.31451	1.5
295.75107	1.6
299.74701	1.5
303.89462	1.3
313.27548	1.6
323.57480	1.4
331.22739	1.9
347.22073	4.5
349.23825	13.5
365.23224	42.2
366.23560	3.7
367.24628	3.9
519.33130	1.7
541.35211	4.2
545.34766	15.2
546.34094	2.1
547.25494	1.4
559.36224	60.2
560.37042	7.4
639.42572	15.7
657.43353	3.5
703.40186	1.7
854.45032	5.2
855.45264	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	855.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	6.8
67.05499	1.5
69.03431	4.4
69.07068	0.3
69.08877	1.3
69.09302	1.0
70.03757	0.2
71.01359	0.8
71.05004	1.0
71.27197	0.2
72.34223	0.2
73.02923	5.0
73.03318	0.4
79.05499	2.6
81.03421	3.3
81.07054	2.1
83.01359	0.9
83.04986	1.5
83.08632	0.7
85.02909	7.2
87.04484	0.6
91.03967	4.8
91.05487	1.5
93.07038	2.1
95.08632	1.0
97.02895	7.4
97.06562	0.7
97.10154	0.3
98.22531	0.5
99.04471	1.8
101.02382	2.4
103.03955	0.4
105.07063	1.0
107.04974	1.2
107.08601	1.7
109.02924	1.2
109.06549	0.8
109.10179	0.6
111.04478	0.4
115.03954	0.9
117.07049	0.9
119.08621	1.4
121.06538	0.5
121.10177	1.2
123.08090	0.8
125.06006	0.6
127.03925	2.7
130.07803	0.4
133.10159	0.3
135.11732	1.1
145.04982	0.7
145.10143	1.9
147.08098	0.3
149.09673	0.3
153.12802	0.3
163.11194	3.9
163.58696	0.3
173.09660	0.6
181.12311	0.3
182.32349	0.3
185.04294	1.1
191.10776	0.3
203.05357	0.7
206.06400	0.3
209.11789	0.7
227.12839	0.3
227.96387	0.3
243.08432	2.0
249.11061	0.8
255.52805	0.3
267.10934	0.3
283.15359	1.5
305.13821	0.8
344.70200	0.3
347.09555	2.4
347.26007	0.3
363.09204	0.6
365.10730	0.8
390.13333	0.3
405.13681	5.6
439.18796	0.3
467.18887	13.3
468.19824	0.6
492.21457	0.3
553.88281	0.3
582.76129	0.4
629.24097	12.9
630.24506	0.9
693.31189	1.7
817.36194	0.3
855.36169	100.0
856.36511	13.7
856.53113	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.541
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	4.9
65.03940	7.0
67.05505	100.0
68.05833	4.5
69.03439	13.7
69.07069	49.6
69.77124	6.7
71.05008	7.9
71.08624	6.2
73.02921	2.9
77.62592	1.5
78.04644	1.3
79.05492	85.1
80.05828	3.0
81.03418	22.1
81.07057	96.9
82.07420	3.1
83.04985	13.4
83.08618	19.7
85.02913	8.9
85.06554	4.7
86.09709	1.8
89.05971	2.0
91.05479	84.6
92.05813	6.4
93.07043	74.6
94.07362	3.5
94.35765	1.6
95.04967	20.5
95.08607	55.0
96.08955	2.5
97.02889	8.0
97.06528	17.5
97.10194	9.0
98.22678	2.0
99.08091	6.3
103.05486	5.2
105.04499	2.3
105.07028	73.2
106.07365	3.8
107.04951	15.3
107.08591	48.1
108.08907	2.6
109.02891	2.7
109.06516	10.9
109.10156	29.3
110.10516	4.1
111.04475	3.3
111.08074	9.0
113.09675	2.1
115.05479	4.2
117.07020	30.4
119.04949	2.6
119.08582	52.6
119.09437	3.1
120.08862	2.6
121.06513	8.1
121.10149	25.0
123.08060	6.5
123.11705	7.0
125.09602	8.9
127.03905	4.7
128.06219	5.8
129.05504	3.1
129.06998	16.1
131.08569	37.3
131.09496	2.8
132.08881	2.1
133.06519	6.3
133.10132	52.0
134.10472	5.7
135.08047	8.2
135.11687	17.6
137.09621	6.9
139.11176	1.8
141.07001	6.1
142.07764	3.4
143.08569	16.8
145.06500	2.8
145.10132	26.5
147.08025	3.8
147.11693	27.6
149.09633	15.6
149.13242	16.5
151.11156	8.7
152.11461	2.0
155.08557	6.5
156.09270	1.9
157.10109	15.4
159.08035	4.0
159.11710	23.5
160.11983	2.4
160.88840	1.7
161.09607	5.2
161.13219	11.2
163.11180	11.1
163.14828	2.0
165.12750	3.4
167.08618	3.1
169.10172	7.5
169.12216	1.9
171.11642	12.5
173.04475	2.1
173.09549	2.3
173.11824	2.8
173.13229	12.2
175.11186	2.7
175.14828	5.5
177.12804	6.6
179.14249	3.3
181.10107	4.0
183.11697	7.1
184.07333	6.5
185.13274	9.0
187.11237	2.5
187.14836	4.4
189.11191	4.8
189.12807	2.7
195.11699	2.6
195.13799	2.7
197.13307	6.5
199.14922	4.9
207.11807	2.5
209.13264	2.6
211.14894	2.8
213.16351	2.3
216.94014	1.7
217.15964	1.9
221.13300	2.4
223.14882	2.2
225.16374	2.1
227.12788	6.0
228.13034	2.0
229.14305	3.4
229.19470	2.1
233.15520	2.4
239.18086	3.5
241.19569	4.8
245.19029	1.6
247.20607	2.1
253.14183	9.2
254.14725	6.7
255.15895	4.6
257.18988	8.2
259.20502	12.7
261.22104	2.2
269.17456	17.4
273.18466	5.0
275.20029	25.9
276.20425	3.4
287.23511	1.7
291.19562	9.7
292.19846	2.6
293.21088	27.9
313.21509	2.3
319.00299	1.7
333.24176	10.5
335.25830	6.3
349.23636	12.6
350.23886	2.1
365.23282	6.5
366.23373	2.0
367.24643	8.0
463.30539	2.5
465.45306	1.7
513.35779	9.5
514.36377	2.6
515.37671	2.8
527.37665	9.9
533.39398	1.6
543.36536	5.5
545.37793	2.4
547.35980	2.4
559.36053	3.4
561.37653	8.7
607.43451	8.3
623.42035	2.1
625.44360	7.1
641.43652	4.6
813.43506	2.0
857.45154	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	856.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	6.0
65.03952	4.9
67.05506	92.7
69.03424	20.0
69.07071	46.3
69.08386	30.6
71.04981	5.8
79.05141	2.1
79.05492	99.7
81.03427	16.3
81.07055	100.0
83.04981	10.4
83.08619	25.6
85.02908	5.4
85.06544	6.7
86.09705	8.5
86.25909	3.9
90.20126	3.5
91.05479	72.3
92.05796	3.3
93.07047	73.9
95.04955	21.6
95.08598	39.9
97.02905	8.8
97.06536	16.1
97.10178	33.9
99.08070	4.9
103.05525	4.7
105.07037	78.2
106.07371	3.6
107.04954	11.6
107.07872	6.0
107.08588	84.9
109.02893	4.3
109.06513	8.0
109.10169	28.2
111.08099	10.0
117.07032	29.1
119.08572	49.3
121.06535	7.2
121.10133	24.1
123.08038	5.9
123.11706	4.9
125.09622	32.4
127.03907	4.9
129.07036	13.8
131.08577	31.6
133.06569	3.6
133.10139	40.4
135.08040	10.7
135.11656	17.6
137.09605	5.2
141.07008	8.2
143.08597	13.0
145.10141	39.4
147.08040	6.9
147.11713	26.9
149.09637	15.1
149.13274	14.4
151.11153	6.5
153.09117	4.2
155.08530	4.7
157.10136	9.4
159.11644	20.7
161.09630	6.7
161.13278	5.9
163.11221	10.9
169.10133	8.9
171.10269	4.7
171.11707	14.2
173.11891	3.4
173.13300	11.6
175.11133	4.1
177.12762	4.3
179.14415	3.6
182.92717	3.5
183.11635	5.8
184.07251	16.6
185.13235	4.8
187.14954	3.9
189.11203	22.8
195.13841	4.5
197.13326	7.2
211.14949	4.7
227.12778	64.8
236.14944	7.3
239.17950	7.3
245.13777	5.6
247.20575	5.6
255.15965	12.9
257.19040	17.0
258.55737	3.8
259.20267	3.9
267.15851	4.8
269.17444	27.8
273.18506	4.7
275.20102	80.5
291.19540	5.7
293.21024	4.8
301.21564	4.0
317.17609	4.0
331.22528	6.6
333.24628	3.6
349.23764	64.4
350.23938	4.7
367.24799	7.9
425.44751	4.0
439.26749	5.2
469.33084	4.0
501.70428	4.1
519.32904	8.3
529.35211	10.6
540.18573	3.8
542.25031	4.0
543.36810	59.6
544.37146	7.6
623.42932	16.5
641.43121	8.7
857.46692	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	9.1
65.03957	7.3
67.05505	91.1
68.99339	5.3
68.99737	24.7
69.03417	11.4
69.07076	43.8
71.01364	3.4
71.05001	6.7
71.08617	2.7
73.02908	3.8
79.05495	94.5
81.03416	10.8
81.06586	5.8
81.07057	98.5
81.07533	6.5
82.38006	2.9
83.04983	18.8
83.08623	19.7
85.02921	16.1
85.06541	6.9
86.09723	7.5
87.08142	4.6
91.05479	100.0
93.07042	90.1
95.04973	18.9
95.08608	61.8
97.02873	14.3
97.06525	10.3
97.10178	7.9
98.09688	3.2
99.04434	5.8
99.08086	5.7
103.05448	4.6
105.07028	83.2
107.04971	10.8
107.08586	51.2
109.06517	9.4
109.10159	20.4
111.08068	8.4
115.05423	3.8
117.07018	41.0
119.08582	53.8
121.06493	4.9
121.10144	32.9
123.08102	14.7
123.11735	6.0
125.09584	5.0
127.03892	9.3
128.06244	8.9
129.05519	3.6
129.06996	17.9
131.08565	35.2
133.06502	4.7
133.10132	47.7
135.08044	5.8
135.11728	17.7
137.09602	4.1
141.06982	9.4
143.08557	18.1
145.10152	32.8
147.08023	8.2
147.11676	32.5
149.09601	11.3
149.13229	15.8
151.11180	5.7
155.08557	12.4
157.10117	19.4
159.11652	25.4
161.09547	4.8
161.13281	15.4
163.11188	6.4
168.66805	2.6
169.10103	8.1
171.10439	3.0
171.11676	18.3
173.13205	13.2
175.11089	3.4
177.12712	5.2
179.14342	6.4
181.10124	3.7
183.11606	5.3
184.07338	21.0
185.13252	12.1
187.14708	3.4
189.12817	3.5
195.11630	6.4
197.13309	8.0
199.14885	5.9
207.11789	2.9
207.13791	4.6
209.13286	4.4
235.14777	3.3
241.19608	5.9
257.18994	7.8
259.20538	20.3
269.17526	10.5
271.17145	2.6
275.19922	13.6
277.21680	3.9
293.20987	5.2
294.21036	2.7
333.24265	15.0
335.25797	8.9
349.23856	4.9
387.74725	3.0
421.30484	3.7
489.38510	2.9
517.40015	3.1
527.37238	7.5
607.42096	3.4
609.45074	16.0
610.44849	4.0
625.43732	3.2
641.44232	3.5
814.86505	3.4
857.46649	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	856.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	2.5
65.03927	5.9
67.05504	78.4
68.05863	2.9
69.03432	10.1
69.07069	47.6
69.76241	8.4
69.76614	4.3
71.04987	7.5
71.08610	2.2
77.03934	2.3
77.42315	2.3
79.05489	78.2
81.03423	20.3
81.07054	100.0
81.07531	4.9
82.07401	2.4
83.04980	16.5
83.08616	20.4
85.02873	4.8
85.06526	5.8
85.98826	2.0
86.09676	2.1
88.31636	2.1
91.03966	2.0
91.05482	62.2
93.07043	75.0
95.04971	15.9
95.08607	43.2
95.56381	2.4
97.02885	6.5
97.06539	20.5
97.10167	9.6
98.22759	2.5
99.08086	4.2
103.05447	3.6
105.04475	2.7
105.07028	56.6
107.04973	12.1
107.08588	43.4
109.02883	3.6
109.06538	9.9
109.10150	18.9
111.04435	3.8
111.08077	9.3
115.05402	2.4
117.07013	28.6
119.08585	41.0
121.06507	8.6
121.10142	24.1
123.08067	6.9
123.11664	4.9
125.09621	10.2
127.03913	3.3
128.06224	3.2
129.05457	4.1
129.06987	11.7
131.08562	29.6
132.09004	2.2
133.06497	4.3
133.10120	28.2
134.10484	3.5
135.08083	8.2
135.11688	23.0
137.09578	3.1
141.06972	4.3
142.07791	2.3
143.08566	9.6
145.06418	2.6
145.10117	22.8
147.08023	2.9
147.11667	17.2
149.09599	21.7
149.13226	16.3
151.11192	5.2
155.08583	5.6
156.09216	2.2
157.10132	9.9
159.11681	20.7
161.09612	4.2
161.13239	7.3
163.11218	11.4
165.12793	3.0
169.10135	7.9
171.11690	7.3
173.04471	3.9
173.13237	10.0
175.11041	2.4
177.12766	7.7
179.14326	5.2
181.10104	3.2
181.12340	2.8
183.11673	5.9
184.07364	4.9
185.13275	5.7
187.14761	3.4
189.11226	3.3
189.12773	2.7
195.13852	8.3
197.13263	4.0
199.11401	2.2
199.14848	2.9
201.12756	2.9
227.12769	8.4
229.19409	3.5
235.16864	2.2
239.17891	5.0
247.20805	2.2
255.15851	12.5
257.18985	14.5
267.15909	4.3
269.17480	40.1
270.17841	2.4
275.20047	49.1
276.20374	5.0
291.19250	2.8
293.21146	3.3
303.23007	2.5
321.24457	2.7
331.22659	3.4
349.23703	36.7
350.24167	4.4
367.24677	3.9
377.07281	2.8
391.34659	2.3
413.21494	3.0
435.27203	3.6
445.29459	2.7
449.29028	17.3
463.30453	21.7
464.30966	3.5
525.35413	4.8
529.35107	7.4
543.36829	27.6
544.36908	7.5
561.37335	3.0
623.42938	4.6
857.45959	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	856.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	4.0
65.03931	5.7
67.05504	88.9
68.05849	1.7
69.03436	11.4
69.07069	43.4
70.07368	1.8
71.01343	1.9
71.04988	5.9
73.02924	3.1
75.33403	1.5
79.05492	77.2
81.03414	16.5
81.07056	100.0
82.07380	2.5
83.04973	14.5
83.08626	18.9
85.02917	8.0
85.06541	5.5
91.05480	64.4
92.05823	2.0
92.42855	1.4
92.93872	1.5
93.07045	71.3
94.13712	1.4
95.04969	13.6
95.08605	43.9
96.73891	1.5
97.02899	6.3
97.06535	20.1
97.10163	9.7
99.04474	2.7
99.08093	5.0
103.05480	2.1
105.04531	3.1
105.07027	50.9
107.04964	13.8
107.08588	45.7
108.08935	2.8
109.06505	10.7
109.10154	19.8
111.04434	2.9
111.08067	9.0
113.09637	1.6
115.05438	1.9
117.07008	24.1
119.08575	39.0
120.08988	1.8
121.06503	6.8
121.10142	21.2
123.08050	6.4
123.11720	6.2
125.09658	9.5
127.03919	3.7
128.06255	2.0
129.06996	9.7
131.08571	29.9
133.06502	3.3
133.10126	27.4
135.08054	6.5
135.11685	24.5
137.09607	4.2
139.07501	1.8
139.11206	1.7
141.07013	4.0
143.08559	7.2
145.04968	2.0
145.06514	2.4
145.10109	21.7
146.10435	1.8
147.08017	4.0
147.11656	14.6
149.09608	16.9
149.13255	15.9
151.11162	3.0
155.08563	4.9
157.10117	8.4
159.08040	2.8
159.11668	17.8
161.09596	3.2
161.13210	5.1
163.11186	12.2
165.12787	2.9
169.10091	6.5
171.11719	9.5
173.13252	8.5
175.11151	3.5
177.12762	6.4
179.14290	4.1
181.10167	2.0
183.11626	4.4
184.07256	2.1
185.13129	2.2
187.11162	2.1
187.14783	2.3
189.11234	3.9
195.11995	2.6
195.13750	12.1
197.13301	3.2
201.12802	2.7
213.14841	1.8
227.12747	11.2
228.13242	1.7
233.15376	1.6
239.18008	5.0
247.20586	3.6
253.14352	2.8
255.15921	14.5
257.18948	14.5
267.15869	4.5
269.17480	46.8
275.20068	44.0
276.20483	4.1
291.19440	4.6
292.19888	3.3
293.20990	3.2
331.22617	3.2
349.23712	31.5
350.24176	2.3
365.23273	2.0
367.24744	5.8
368.95264	1.7
410.04404	1.8
413.21793	2.1
433.30991	1.8
435.27438	2.5
445.29462	2.3
449.28903	23.8
450.29254	3.1
463.24576	2.2
463.30594	26.4
464.30701	3.2
469.33588	2.0
489.33023	1.7
503.33838	3.8
515.37372	2.5
525.35254	2.3
529.35187	8.7
543.36810	32.1
544.36987	3.9
547.24805	2.3
547.35187	2.5
561.37756	5.1
623.42688	6.4
641.43280	5.4
705.41693	2.0
733.61670	1.6
856.45331	4.4
857.46423	34.4
872.28186	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5774
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	2.5
65.03927	6.1
67.05507	99.9
68.05813	2.2
69.03420	5.5
69.07066	29.1
71.04996	12.8
71.08621	2.1
73.02917	2.2
79.05495	72.7
80.05851	2.2
81.03415	12.2
81.07057	100.0
82.07407	1.9
83.04986	9.1
83.08609	14.1
85.02912	3.1
85.06544	5.1
86.09707	3.5
91.05482	56.4
93.07045	83.8
93.76310	1.6
94.07362	2.2
95.04963	10.8
95.08609	53.7
97.02906	3.4
97.06539	13.9
97.10168	10.1
99.08083	3.1
103.05463	2.2
105.04521	3.9
105.07030	37.8
107.04952	4.5
107.08598	47.8
109.06534	6.4
109.10157	50.1
111.08086	6.8
115.05544	2.2
117.07030	16.6
119.08587	28.7
121.06525	4.8
121.10134	32.4
123.08034	4.8
123.10889	1.8
123.11671	10.4
125.09636	4.6
129.05486	2.9
129.07010	5.7
131.08565	23.5
133.06488	2.4
133.10114	26.1
135.08084	3.9
135.11697	17.6
141.07043	2.4
143.08594	5.4
145.10138	17.2
147.11676	15.4
149.09601	5.9
149.13274	12.5
151.11148	2.8
155.08525	4.1
155.10701	2.7
157.10114	5.1
159.11710	15.5
161.13266	6.6
163.11172	4.3
169.10056	3.1
171.11703	4.9
173.11711	6.9
173.13255	9.3
175.14812	3.2
177.12790	2.9
183.11664	2.3
184.07336	18.7
185.13254	5.0
187.11075	2.7
187.14850	4.0
195.13817	5.0
197.13249	2.0
211.08560	1.9
213.16356	2.7
227.12756	6.8
229.14343	32.0
230.14784	2.2
239.18060	2.7
239.91385	1.9
243.16011	1.8
243.21234	2.8
247.20549	2.5
257.19016	4.9
259.20520	2.1
261.22141	12.6
267.15964	2.3
269.17542	15.8
275.16882	2.9
275.20029	24.6
289.21490	2.2
293.20996	5.4
309.20526	3.3
317.24835	2.2
331.22882	3.6
333.24252	2.4
335.25797	91.8
336.26196	5.1
349.23804	23.8
367.24765	2.9
381.26584	3.6
413.21594	5.5
447.10287	1.9
451.35907	2.3
453.24991	2.2
468.70944	2.1
489.35693	19.4
507.36697	2.1
529.38916	83.1
530.38965	8.0
569.42047	35.1
570.41992	4.3
609.45142	29.3
610.45294	3.6
627.46045	4.0
641.47656	9.9
673.43060	7.4
793.79315	2.2
856.50623	3.1
857.48627	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	857.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	6.5
67.05504	2.3
69.02145	4.3
69.03432	4.5
69.07105	0.8
71.01337	0.6
71.05008	1.3
73.02930	4.2
79.05511	2.8
81.03424	5.7
81.07070	2.3
83.04993	1.9
83.08633	1.4
85.02910	8.9
87.04459	0.5
91.03962	4.9
91.05482	3.5
93.07035	2.4
95.04995	2.0
95.08636	1.6
97.02900	7.6
97.06548	1.4
99.04464	1.9
101.02362	2.2
105.07059	2.1
107.04987	1.3
107.08615	1.1
107.94722	0.5
109.02920	1.7
109.06538	1.0
109.10181	1.1
111.04477	0.6
111.08101	0.5
115.03963	0.9
117.07082	0.6
119.08620	1.8
121.10171	1.1
127.03957	1.6
129.07074	0.9
131.08617	1.1
133.10165	1.2
135.11743	0.7
137.09627	0.5
142.26303	0.5
145.10181	1.2
147.04427	1.0
147.11694	1.1
149.09653	0.6
157.10133	0.7
161.09840	0.6
163.11241	1.3
173.09731	0.5
173.67526	0.5
175.11290	0.6
185.04303	0.7
193.12357	1.5
203.05322	0.8
209.11972	0.6
211.13335	1.0
236.42520	0.5
243.08328	2.5
249.11160	0.6
251.12650	0.9
267.37149	0.5
283.15268	1.2
306.19995	0.5
307.15613	0.6
347.09702	2.3
347.13696	0.5
363.08899	0.7
365.10666	0.9
405.13629	4.9
467.18973	6.2
467.25085	0.8
468.18915	0.7
469.20352	6.2
549.14246	0.4
629.24176	4.8
631.25775	6.1
632.25934	0.8
695.32611	1.6
857.37689	100.0
858.38226	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	857.4655
Annotation	Aurantimycin A
Peak:m/z	Relative Intensity
61.02921	4.3
67.05499	9.0
69.03432	3.8
69.07062	5.3
69.14223	3.5
69.14651	3.9
71.08642	1.4
73.02923	3.1
79.05500	7.6
81.03425	3.9
81.07053	9.5
83.04994	1.9
83.08648	2.2
83.32655	0.9
85.02905	4.7
86.09709	2.0
91.03983	1.9
91.05481	7.1
93.07060	6.3
94.30105	0.7
95.04972	2.1
95.08590	4.0
97.02882	4.5
97.06556	1.2
97.10148	2.2
98.23317	1.4
99.04460	1.1
99.08089	1.0
101.02341	0.9
101.20297	0.8
105.07022	5.6
107.04974	1.0
107.08605	3.8
109.02846	0.8
109.06498	1.1
109.10178	3.7
117.07063	2.0
119.08612	2.8
121.06546	1.7
121.10130	1.4
123.08073	1.6
125.00047	1.8
125.09637	1.6
127.03964	0.9
131.08566	2.5
133.10147	3.8
135.08099	1.0
135.11748	1.2
137.09578	1.0
145.10118	1.4
147.08220	1.4
149.09651	1.2
151.11212	1.4
159.11722	1.2
161.09692	1.3
184.07364	7.7
185.04248	1.3
193.12361	1.0
223.13309	3.1
243.08412	4.7
250.70793	1.0
253.14478	1.3
273.18661	1.0
275.20041	1.4
291.19510	1.8
292.19995	1.4
293.21210	2.1
301.08853	1.3
317.32065	1.3
331.19031	3.4
335.26013	1.2
366.23685	1.2
367.24612	1.0
451.19650	1.8
531.25739	1.9
549.26624	16.2
550.26868	1.4
621.28711	1.3
702.06897	1.0
759.39355	4.6
839.45245	13.2
840.45538	2.3
857.46387	100.0
858.46692	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	857.4861
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	7.0
67.05508	7.0
69.03420	5.1
69.07065	2.6
71.01382	0.8
71.04993	1.3
71.08626	2.3
73.02920	5.0
79.05488	3.6
80.05857	0.7
81.03429	2.7
81.07057	5.4
82.07397	0.5
83.04982	1.0
83.08632	1.8
85.02903	9.0
85.03372	0.7
85.10178	1.2
86.09721	0.8
91.03960	4.5
91.05470	2.7
93.07038	5.3
94.07378	0.5
95.08611	4.7
97.02892	8.7
97.06543	0.8
97.10191	1.5
98.22658	1.1
99.04468	1.1
101.02369	2.9
103.03947	0.5
105.07059	1.7
107.08595	2.5
109.02909	1.1
109.10158	3.0
115.03925	0.5
117.07045	1.0
119.08620	1.4
121.10181	1.4
123.11708	0.8
125.09628	0.6
125.13243	0.5
127.03919	3.1
129.03491	0.5
131.08595	1.2
133.10144	1.3
135.11697	2.3
145.05005	0.5
145.10164	1.0
147.11670	0.5
159.11780	0.7
161.13054	0.5
182.36809	0.5
184.07425	1.0
185.04231	1.0
201.03812	0.5
203.05356	1.1
204.01187	0.5
221.11533	1.1
229.14458	1.6
230.14825	0.5
243.06094	0.6
243.08270	2.8
264.48947	0.4
275.20279	0.7
276.58255	0.4
277.13693	0.4
287.00055	0.5
305.08505	0.5
313.27429	1.5
335.25864	1.9
336.26202	1.2
347.09433	2.5
365.10532	1.2
405.13580	5.6
405.18137	0.6
439.19327	6.4
490.36279	0.9
497.30890	7.2
498.31241	1.0
529.38995	1.3
530.39404	1.5
601.24591	3.5
610.45618	1.1
642.48254	0.5
659.36035	9.4
660.36432	0.9
695.43536	3.4
857.48572	100.0
858.48901	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	859.4808
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02929	4.0
67.05504	5.4
69.03429	3.3
69.07069	4.3
71.04976	0.4
73.02919	3.1
76.97813	0.3
79.05487	5.5
80.05843	0.4
81.03425	2.0
81.07055	5.3
83.04975	1.1
83.08630	1.3
85.02908	3.6
91.03946	1.8
91.05489	4.1
93.07052	3.7
95.04951	1.7
95.08607	2.5
97.02886	4.3
97.06561	0.5
97.10171	1.3
99.04421	0.6
99.08116	0.4
101.02377	1.7
103.05519	0.4
105.07014	3.0
107.04971	0.8
107.08585	2.3
109.02914	0.4
109.06518	0.7
109.10156	1.5
115.03986	0.4
117.07011	1.7
119.08587	1.9
121.06540	0.4
121.10162	0.8
123.08087	0.6
125.09662	1.1
127.03909	0.9
129.06935	0.4
131.08586	1.0
133.10156	1.1
135.08095	0.5
135.11732	0.8
142.69040	0.3
145.10150	0.7
147.08080	0.4
147.11742	0.4
149.13269	0.6
151.11292	0.3
159.11729	0.4
173.81172	0.3
175.11221	0.4
184.07364	0.4
185.04274	0.9
203.05237	0.7
223.13335	1.4
243.08365	3.3
243.10162	0.3
259.08038	0.4
269.17572	0.5
291.19571	1.1
293.57224	0.4
301.08905	0.7
313.09061	0.5
331.18961	1.0
333.20468	1.3
387.21786	0.5
389.23151	0.6
406.51697	0.3
439.19418	1.0
453.21259	0.7
549.26624	5.8
551.28119	6.8
552.28741	0.5
705.93085	0.4
794.47772	0.4
850.72003	0.3
859.48053	100.0
860.48376	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	859.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	4.0
65.03947	0.6
67.05506	5.2
69.03428	2.4
69.07071	2.6
69.83987	1.6
69.84345	0.6
71.01370	0.5
71.05011	0.5
73.02923	2.5
79.05486	4.5
79.05854	0.4
81.03428	2.1
81.07054	6.0
83.04993	1.0
83.08646	1.2
85.02919	3.0
91.03960	1.4
91.05470	3.3
93.07040	4.3
95.04979	1.4
95.08595	2.9
97.02895	4.1
97.06490	0.5
97.10178	1.3
98.23314	0.5
99.04468	0.8
101.02402	1.2
105.07038	2.7
107.04961	0.5
107.08587	2.8
109.02878	0.7
109.06548	0.8
109.10184	1.7
115.03973	0.7
117.07053	1.0
117.80975	0.4
119.08643	1.6
121.10165	1.5
125.09629	1.3
127.03929	0.8
131.08597	1.1
133.10136	1.5
135.08107	0.6
135.11711	1.0
140.81351	0.6
145.10168	1.1
147.11739	0.9
159.11745	0.5
184.07401	0.9
223.13422	0.5
243.08459	3.5
291.19693	1.0
313.08932	0.5
331.18777	1.3
333.20386	1.2
335.26181	0.5
389.22888	0.5
453.21045	0.9
549.26691	6.5
551.28156	5.0
841.46234	0.5
859.48035	100.0
860.48419	19.0
860.61060	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4821
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02924	4.1
65.03941	1.1
67.05508	7.4
69.03424	3.8
69.07078	3.0
71.01342	0.6
73.02911	3.3
73.14169	0.5
79.05509	4.5
81.03443	1.6
81.07062	6.8
83.04990	1.2
83.08643	0.9
85.02924	4.1
86.09710	0.7
91.03993	1.6
91.05486	4.8
93.07037	3.8
95.04995	2.1
95.08602	3.2
97.02322	0.7
97.02875	3.3
97.06537	1.0
97.10208	0.6
101.02399	1.2
105.07049	4.0
107.04971	1.1
107.08579	2.5
109.02907	0.9
109.06570	0.7
109.10175	2.0
110.77261	0.6
111.08124	0.5
115.01537	0.6
117.07044	1.2
119.08582	3.2
121.08517	0.5
121.10154	1.3
125.00044	0.7
125.78210	0.5
127.03956	1.0
129.05418	0.7
129.07019	0.6
131.08611	1.6
133.10181	1.7
135.11705	1.0
137.09631	0.8
145.10179	1.1
147.11664	1.2
149.09627	0.6
149.13293	0.5
151.11182	0.9
155.08795	0.5
157.10135	0.6
171.11749	0.9
184.07391	2.1
185.04294	0.7
193.12296	0.8
203.05380	0.7
243.08496	2.9
278.10278	0.5
313.17615	1.0
331.18857	1.5
333.20535	1.8
361.24039	0.5
531.25726	1.5
549.26526	3.1
550.26923	0.6
551.28235	8.6
623.30231	1.2
731.37366	0.6
761.40833	3.7
773.40912	1.0
790.42017	0.6
841.47113	10.8
842.47467	1.4
859.47974	100.0
860.48303	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	3.4
65.03942	0.5
67.05501	4.9
67.05840	0.4
69.03427	3.5
69.07068	3.3
69.10081	1.1
69.10503	0.9
71.01344	0.6
71.04996	0.7
73.02913	2.7
79.05492	4.7
81.03422	2.0
81.07051	5.9
83.04988	1.1
83.08626	0.8
85.02903	3.7
85.03364	0.3
86.09760	0.4
91.03955	1.8
91.05479	4.1
91.06018	0.4
93.07043	3.3
95.04979	1.5
95.08599	2.6
97.02889	3.4
97.06549	0.7
97.10186	0.6
99.04490	0.7
101.02389	1.4
103.42877	0.3
105.04508	0.3
105.07031	2.5
107.04951	0.5
107.08604	2.2
109.02900	0.6
109.06529	0.4
109.10182	0.9
111.08124	0.3
113.41643	0.2
117.07036	0.9
119.08603	1.5
120.35585	0.2
121.06499	0.3
121.10185	1.0
125.09675	0.6
127.03960	1.1
129.07031	0.6
131.08620	1.1
133.10143	1.5
135.08078	0.4
135.11685	1.1
136.06227	0.3
137.09641	0.3
140.67677	0.2
145.10161	0.7
147.11725	0.6
149.09660	0.3
149.13295	0.4
156.62370	0.3
157.10165	0.3
159.11780	0.5
163.11163	0.3
173.13307	0.4
184.07428	1.1
185.04277	0.6
203.05287	0.6
243.08434	3.0
301.09180	0.3
333.20303	2.7
389.23132	0.8
401.38892	0.2
439.19327	1.3
453.15405	0.2
453.20596	1.2
469.20609	0.6
551.28247	9.9
552.28796	0.9
586.67944	0.3
763.42395	0.6
779.41400	0.3
821.53198	0.3
861.49579	100.0
862.49951	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	861.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	3.4
65.03934	0.4
67.05505	4.5
69.03434	2.6
69.07068	2.3
70.54602	0.3
70.54923	0.5
71.01360	0.4
71.05017	0.5
73.02913	2.5
75.92116	0.4
79.05496	4.4
81.03401	2.0
81.07053	5.3
83.04990	0.9
83.08649	0.5
85.02904	3.8
86.09714	0.5
91.03954	1.9
91.05492	3.3
93.07057	3.3
94.60584	0.3
95.04976	1.5
95.08604	2.6
97.02889	3.3
97.06577	0.8
97.10226	0.4
99.04475	0.6
101.02380	1.6
105.07027	2.4
107.08619	2.4
109.02876	0.6
109.06545	0.7
109.10172	0.9
111.08125	0.4
117.07070	1.0
119.08575	1.9
121.06526	0.3
121.10183	0.9
123.08056	0.5
125.09684	0.4
127.03944	0.6
129.07008	0.5
131.08571	1.4
133.10176	0.9
135.11729	0.9
137.09624	0.5
145.10179	0.8
146.59628	0.3
147.11713	0.5
149.09712	0.3
149.13280	0.4
157.10139	0.5
159.11755	0.3
184.07436	0.6
185.04253	0.5
203.05338	0.4
243.08339	3.1
315.10678	0.4
333.20410	2.7
389.22983	0.7
439.19336	1.8
453.21069	0.9
465.21899	0.3
469.20297	0.5
493.58774	0.3
551.28259	10.8
552.28540	1.0
763.43115	0.7
861.49615	100.0
862.49994	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	5.2
67.05505	7.1
69.03434	4.0
69.07071	3.2
70.48797	0.5
71.04987	1.1
71.08649	0.8
73.02906	3.7
79.05488	7.0
81.03406	3.2
81.07050	7.7
82.07425	0.6
83.04985	2.0
83.08620	1.5
85.02908	6.0
86.02665	0.6
86.09706	0.9
87.04494	0.6
91.03964	3.9
91.05474	5.6
93.07041	5.7
95.04964	1.4
95.08621	4.2
97.02887	6.1
97.06545	1.3
97.10152	1.0
99.04480	1.3
100.43234	0.5
101.02390	1.8
105.07033	4.3
107.04983	0.7
107.08574	3.5
109.02904	1.2
109.06506	1.1
109.10171	1.8
111.08106	0.8
117.07000	0.8
119.08547	2.5
121.06551	0.7
121.10149	1.5
123.08031	0.8
125.09698	0.7
127.03956	2.2
129.05553	0.7
129.06981	0.8
131.08603	1.7
133.10162	2.5
135.08066	0.7
135.11700	1.1
143.08638	0.6
145.10115	1.2
147.11716	1.5
159.11777	1.5
171.11745	1.1
184.07365	1.6
185.04314	2.2
204.19586	0.6
243.08350	4.2
247.13162	1.6
247.19878	0.7
271.74820	0.5
301.05975	0.5
301.08926	2.8
301.60617	0.5
331.33307	0.5
333.20480	3.6
369.34976	0.7
373.11246	1.0
373.23135	0.6
385.18628	1.2
389.23004	0.7
429.17044	0.6
439.19543	1.2
452.20126	0.6
453.21152	1.1
465.20889	7.4
465.26181	0.7
466.21570	0.8
481.20370	1.2
525.22870	2.8
533.27087	0.8
535.28748	3.1
549.26910	0.6
551.28308	10.8
552.28467	1.3
553.29126	1.0
555.03046	0.6
607.31091	0.7
609.32544	0.9
613.37488	0.9
620.86572	0.6
623.30969	1.2
637.32190	0.9
652.93250	0.6
695.39594	1.0
705.34772	1.5
707.40015	0.7
723.35992	0.7
733.41583	0.9
745.41071	0.9
763.41925	2.1
775.42310	63.4
776.42688	8.9
815.45636	2.0
843.48517	9.7
844.48438	0.9
861.48730	100.0
862.49042	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	861.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	7.4
67.05508	6.8
69.03437	3.8
69.07066	4.0
69.67986	0.8
69.68319	2.7
70.58918	0.6
71.01368	0.6
71.05000	1.4
71.73903	0.6
73.02910	5.1
79.05493	7.0
79.05859	0.8
81.03426	3.5
81.07052	7.2
81.51147	0.6
83.04991	1.2
83.08637	2.1
83.58490	0.6
83.99802	0.6
85.02908	6.5
85.06561	0.8
86.09703	0.9
88.17441	0.6
91.03958	3.1
91.05476	5.6
93.07030	6.0
95.04973	1.8
95.08609	4.6
96.08958	0.6
97.02897	6.2
97.06573	0.7
97.10173	1.0
99.04465	1.0
101.02380	1.7
105.07024	4.7
107.04951	1.1
107.08609	2.8
109.02898	1.3
109.06549	1.3
109.10180	1.7
117.07037	2.1
119.08576	3.3
121.10188	1.8
123.08110	1.0
127.03946	1.6
129.05548	1.1
129.07010	1.6
131.08606	1.6
133.10185	2.5
135.11726	2.1
140.44920	0.8
147.11720	2.0
159.11688	0.7
161.13260	1.3
176.99120	0.7
184.07426	2.4
185.04289	1.7
236.14989	0.8
240.98097	0.6
243.08382	3.8
247.13171	1.1
279.68954	0.9
301.09055	3.1
315.10736	1.4
333.20294	3.3
365.19348	0.7
371.16760	0.8
373.11035	1.4
373.23157	0.8
383.17075	0.9
385.18549	2.5
389.23077	1.3
439.19562	1.6
453.20996	1.8
465.20950	8.2
481.20352	0.7
525.23132	2.8
533.27014	1.0
535.29022	1.3
551.28394	10.5
552.28461	1.0
609.32745	1.1
621.33087	0.9
623.30438	0.8
695.39313	1.5
705.33997	1.3
707.38959	0.9
730.63269	0.9
745.40277	1.1
763.42133	2.7
775.42365	65.4
776.42664	9.7
815.45258	2.3
843.48456	9.1
844.48926	1.6
861.48779	100.0
862.49121	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	861.5329
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08186	0.8
61.02922	5.2
64.14525	0.7
67.05506	7.1
69.03431	4.6
69.07084	2.8
71.01379	0.9
71.05006	1.6
71.07420	0.7
71.08615	0.8
73.02927	4.7
79.05492	4.5
81.03424	1.9
81.07066	5.7
83.08628	0.8
85.02911	5.0
86.09724	4.1
89.10072	0.7
91.03979	2.5
91.05467	3.4
93.07036	5.3
95.04990	1.1
95.08618	4.5
97.02903	5.4
97.10198	1.2
99.04500	0.7
101.02408	2.1
105.07064	2.6
107.08638	3.1
107.81422	0.7
109.02930	1.4
109.10217	2.4
112.85394	0.6
117.07020	1.0
119.08616	2.7
121.10197	1.6
123.11766	1.0
125.00060	2.1
127.03986	1.9
129.96570	0.7
131.08626	2.1
133.10179	1.9
135.11659	0.7
143.31050	0.7
145.10255	0.7
149.13321	0.7
159.11758	1.0
184.07373	9.8
187.19228	0.8
229.08507	0.7
240.13731	0.7
243.08553	2.4
258.99927	0.8
280.76038	0.7
365.22836	3.8
519.29083	6.5
583.30872	6.3
704.44794	0.8
861.53351	100.0
862.53729	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5121
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	4.2
63.95789	0.3
65.03958	0.3
67.05507	5.0
67.05840	0.4
69.03426	2.7
69.07063	3.1
71.01360	0.7
71.04993	0.8
71.29647	0.3
71.30047	0.3
73.02912	2.6
79.05494	5.7
79.05916	0.5
81.03421	2.0
81.07052	5.7
81.07520	0.4
83.04995	1.1
83.08630	1.1
85.02905	4.5
85.03367	0.4
85.06556	0.6
91.03960	2.4
91.04482	0.3
91.05474	5.3
91.06001	0.3
93.07040	4.8
95.04994	0.7
95.08623	2.5
97.02895	4.0
97.06564	0.7
97.10194	1.3
99.04472	0.8
101.02358	1.9
103.03947	0.4
105.07038	3.0
107.04954	0.6
107.08591	3.2
109.02942	0.7
109.06547	0.7
109.10147	1.5
117.07056	1.2
119.08569	2.6
121.06504	0.3
121.10129	1.9
123.08086	0.5
123.11701	0.5
125.00030	0.4
125.09675	1.1
127.03969	1.2
129.05510	0.5
129.07063	0.4
131.08566	1.6
133.10129	1.6
135.08075	0.4
135.11736	1.2
145.05042	0.5
145.10150	1.3
147.11752	1.2
149.13298	0.8
157.10152	0.4
159.11719	0.5
161.13315	0.7
171.11722	0.4
173.13248	0.4
184.07420	1.0
185.04279	0.8
189.11278	0.5
215.14537	0.3
239.97470	0.4
243.08421	3.4
259.20615	0.5
275.20203	0.4
283.15341	0.5
301.09134	1.0
315.10614	0.9
325.62054	0.3
341.12466	0.4
351.21353	2.3
357.15417	0.4
373.11227	0.6
407.24255	0.7
413.18118	0.3
438.66376	0.3
443.19159	0.4
453.26178	0.3
465.20972	0.4
535.28693	5.9
535.35828	0.5
536.29553	0.4
541.22968	0.7
549.27271	0.5
569.29370	7.5
569.37750	0.6
570.29846	0.5
621.29114	0.4
641.31348	1.4
655.33966	0.4
670.70514	0.4
777.35822	0.5
793.44440	0.5
863.51111	100.0
864.51544	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	864.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	2.2
65.03944	3.8
67.05506	42.7
67.05840	3.3
69.03433	12.3
69.07065	13.8
71.04978	3.4
73.02896	2.3
79.05497	45.3
81.03419	16.3
81.07058	32.4
83.01347	4.2
83.04999	9.9
83.08625	25.7
85.02908	7.8
85.06575	1.9
86.09705	5.5
91.05482	43.5
93.07048	30.4
95.04983	6.6
95.08609	14.5
97.02909	6.0
97.06535	6.4
97.10172	35.9
99.04487	4.5
101.09710	1.7
103.05475	15.1
105.07027	28.0
107.04949	10.0
107.08604	23.1
109.02888	8.3
109.06535	8.2
109.10173	10.9
111.04436	2.2
111.08089	3.5
111.49110	1.8
115.05418	9.3
117.07019	53.9
118.07336	1.9
119.08581	15.7
121.06525	4.7
121.10175	6.6
123.08080	6.1
124.99998	3.7
125.09636	40.1
127.03867	10.9
128.06241	6.4
129.06998	23.0
131.08571	32.5
133.06496	8.3
133.10152	7.1
135.08049	13.0
135.11699	5.4
137.09633	2.5
141.07011	13.0
143.04927	3.0
143.08575	13.5
145.05429	2.6
145.06439	14.2
145.10117	18.4
147.07983	3.8
149.09599	5.0
153.07014	3.7
153.09157	4.8
155.08545	19.6
157.06522	8.3
157.10144	6.2
159.08038	6.0
159.11682	5.4
163.03928	2.3
163.11208	13.8
165.06990	2.5
167.08583	7.4
169.10100	12.7
171.08075	6.2
171.10286	2.5
171.11732	6.9
173.09645	3.3
179.08577	2.5
181.10086	3.0
183.08076	2.8
183.11684	3.8
184.07350	14.0
185.13295	4.2
187.14853	8.2
189.11232	19.2
189.12817	2.9
191.10669	2.3
193.10046	2.6
195.08009	2.8
197.09715	2.7
197.13245	12.0
199.11292	3.8
207.11729	2.0
209.09795	2.2
209.11630	3.9
211.11157	1.7
213.12846	3.4
215.14328	55.9
216.14659	3.2
227.12735	31.9
233.15356	2.9
235.14868	2.5
236.15108	1.9
239.14328	2.3
245.13661	2.2
253.15927	2.3
257.15408	3.4
271.16925	5.0
273.75195	1.7
283.15369	13.6
289.17896	1.8
315.14514	3.8
323.16434	4.7
349.21594	9.3
353.15875	4.2
367.22766	18.8
385.23636	14.7
403.24905	4.2
423.25165	3.0
424.53427	1.8
441.26413	62.8
442.26764	6.5
459.27432	100.0
460.27899	14.8
477.28366	11.5
497.28973	2.8
502.62494	2.0
511.26547	2.9
529.27722	3.4
585.30469	2.5
627.41785	2.0
627.52509	2.1
667.38031	5.8
775.40015	2.1
779.41113	7.4
793.41376	3.0
811.41650	6.4
829.42157	6.9
830.43744	2.7
864.50446	21.4
865.46759	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	864.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	2.8
65.03916	1.6
67.05503	13.3
69.07079	5.8
71.04996	1.4
71.08640	11.7
73.02901	1.1
79.05486	12.0
81.03418	5.0
81.07059	15.7
83.05008	5.8
83.08621	5.0
85.02890	3.1
85.10181	5.7
86.09675	1.8
91.03979	1.4
91.05486	22.6
93.07050	10.4
95.04975	5.2
95.08612	11.1
97.02911	1.9
97.06546	2.6
97.10173	2.7
99.08101	1.4
105.07028	10.5
107.04942	4.8
107.08582	2.7
109.06532	1.3
109.10150	4.8
109.10841	1.2
117.07029	2.0
119.08586	8.1
121.10174	1.9
125.00017	1.3
129.06993	5.4
131.08575	6.3
133.06535	1.2
133.10141	9.1
145.10129	1.6
147.07993	1.3
147.11670	4.9
157.10127	5.8
175.11192	3.5
184.07358	7.4
193.12273	3.4
267.15878	18.5
313.27396	16.4
314.27704	1.8
365.23383	1.3
505.38876	100.0
506.39258	9.5
622.08417	1.2
864.50818	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	866.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	9.8
65.03916	1.0
67.05510	16.7
69.03431	5.3
69.07075	4.2
69.56356	1.5
69.56761	2.6
71.01323	2.5
71.04995	3.9
72.74453	0.7
73.02935	3.8
79.05495	20.3
81.03000	1.0
81.03425	14.1
81.07060	27.3
83.01347	6.8
83.04983	13.3
83.08151	1.0
83.08620	17.1
85.02442	0.8
85.02909	14.7
85.06516	2.2
91.03953	7.7
91.05482	27.1
93.07041	25.8
95.04973	8.3
95.08618	8.5
97.02890	12.1
97.06532	6.8
97.10162	1.8
99.00216	1.1
99.00820	18.5
99.04465	3.7
102.58192	0.7
103.05425	2.6
105.07030	20.2
107.04961	10.1
107.08601	17.6
109.02879	10.9
109.06524	8.5
109.10162	5.5
110.68138	0.7
111.04447	4.1
111.08088	4.6
113.05991	1.1
115.03879	2.5
115.05421	1.1
115.92787	0.7
117.07020	8.4
119.04940	1.9
119.07795	0.9
119.08582	13.9
121.06511	10.1
121.10142	7.4
123.04415	2.8
123.08057	8.0
123.11669	2.4
123.28532	0.7
124.63445	0.8
125.05967	2.5
127.03901	4.7
128.06204	1.4
129.06958	2.3
130.07759	1.5
131.04904	1.0
131.08565	3.8
133.06470	1.9
133.10133	34.9
134.10391	0.8
135.08035	2.9
135.11685	10.1
137.05937	2.1
137.09581	2.8
138.09723	0.8
139.07513	5.1
143.08595	4.4
145.04916	2.9
145.06458	2.3
145.10124	12.4
147.04434	6.8
147.08006	3.1
151.11180	10.9
153.12743	1.9
155.08551	1.4
161.09615	19.0
163.06001	2.2
163.11183	20.6
164.11583	0.9
165.09109	1.0
171.08020	4.0
173.09631	2.4
179.10681	10.7
181.12250	2.6
189.09111	10.0
191.10678	2.4
197.11748	2.6
207.10138	2.9
209.11780	4.6
225.11227	10.8
227.12778	2.8
236.14999	0.7
243.12340	1.6
254.96989	0.8
281.13812	6.3
283.15402	95.3
284.15829	5.8
293.04587	0.7
299.14896	90.7
300.15268	4.6
332.77344	0.7
403.71664	0.7
471.24008	1.0
489.24994	0.7
507.25897	100.0
508.26270	10.1
645.05121	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.5289
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03958	2.3
65.97765	2.0
67.05505	60.2
69.01806	11.5
69.02231	9.0
69.03422	7.1
69.07072	27.9
71.04988	3.4
71.08634	27.2
74.14736	1.8
79.05495	30.3
81.03417	8.7
81.07061	56.9
83.04990	8.3
83.08610	23.6
85.02906	3.9
85.06532	2.6
85.10187	14.8
89.06023	3.1
90.18361	2.5
91.05476	35.2
93.07041	32.9
93.16660	2.3
95.04975	6.5
95.08603	46.2
97.02902	1.9
97.06535	6.3
97.10178	14.7
98.23399	3.1
99.04435	2.7
99.08098	2.5
102.63605	2.1
105.07034	30.1
107.04968	7.8
107.08598	25.1
109.02903	5.2
109.06522	4.9
109.10148	16.9
110.03664	2.4
111.04430	4.1
111.08099	3.7
111.11658	1.9
117.06998	15.3
119.08587	18.0
121.06515	2.9
121.10168	10.1
123.08057	4.1
123.11707	6.8
125.09647	7.4
127.03954	2.5
129.07019	5.0
131.08568	17.7
133.06502	3.1
133.10133	18.6
135.08072	4.1
135.11684	5.3
137.09650	3.4
137.13327	2.2
141.07043	2.2
143.08536	6.4
145.09123	1.9
145.10098	13.0
147.11725	11.5
149.09616	9.8
149.13255	8.0
157.10088	4.2
159.11703	7.2
163.11215	4.2
165.09111	2.5
169.10117	2.0
179.14311	3.0
189.11299	5.4
191.00146	4.3
193.59914	2.2
194.22433	2.0
195.13815	6.0
209.01184	2.2
227.12776	10.1
229.14409	3.4
239.17795	3.5
239.23659	7.0
247.20639	3.6
255.15952	5.6
257.19052	7.8
257.24817	3.4
269.17496	26.7
275.20068	30.9
291.19598	7.2
293.21024	6.2
313.27350	100.0
313.30994	5.0
314.27744	9.0
326.51489	2.2
331.22626	4.4
349.23721	26.5
367.24780	2.6
396.20947	2.2
453.13989	4.0
467.36908	3.5
493.38571	5.8
507.40503	43.7
508.40695	5.0
539.28723	9.2
575.24823	3.8
587.46692	36.2
587.55847	4.6
588.46869	6.2
603.46008	2.5
605.47241	10.8
879.26770	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	868.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
60.36924	0.4
61.02929	4.5
65.03922	1.1
65.13323	0.4
67.05507	14.4
69.03434	2.8
69.07069	3.7
71.01343	0.8
71.04999	2.7
73.02895	1.7
77.03896	0.4
79.05494	16.2
81.03418	8.1
81.06586	0.8
81.07053	13.2
83.01337	4.5
83.04987	9.3
83.08619	6.2
85.02448	0.5
85.02907	8.9
85.06533	1.1
87.04425	0.4
91.03969	3.7
91.05484	12.0
93.07044	18.1
95.04966	6.2
95.08607	6.2
97.02386	0.5
97.02900	4.8
97.06536	4.3
97.10179	0.9
98.22657	1.3
99.04454	2.9
99.08053	0.5
103.05449	0.5
105.04545	0.6
105.07034	6.5
107.04960	7.7
107.08597	10.9
109.02859	1.4
109.06528	4.5
109.10149	2.0
111.04452	5.6
111.08079	1.8
113.06025	0.6
113.09653	0.6
115.05448	0.5
117.07031	6.9
119.08589	6.7
121.06487	2.4
121.10147	7.1
123.04406	1.1
123.08076	5.5
123.11688	0.5
125.05994	1.8
125.09594	0.9
127.03928	2.2
127.04707	0.4
128.06203	0.6
129.05472	0.5
129.06979	1.7
130.07745	1.3
131.04955	0.5
131.08571	2.9
133.10115	2.7
135.04355	0.5
135.08052	2.4
135.11697	11.0
137.09546	0.9
143.08525	0.7
145.04959	1.8
145.06523	2.4
145.10123	14.4
146.10490	0.7
147.04391	1.1
147.08083	2.2
149.09628	1.9
153.12718	1.6
155.08578	2.3
163.05983	1.5
163.11183	19.3
173.09622	4.0
181.12271	3.0
191.10672	4.1
202.21729	0.5
209.11734	14.7
210.12160	0.5
227.12804	5.6
236.14909	1.0
249.65833	0.5
255.15892	1.8
263.67780	0.4
265.14346	1.3
267.15872	0.5
283.15405	100.0
284.15753	5.0
301.16492	1.3
371.17020	0.5
427.19897	0.6
473.24948	2.1
477.28119	0.5
491.26395	57.7
492.26825	5.0
509.27371	5.7
510.27817	0.7
635.31293	0.6
649.68585	0.5
653.32062	1.0
813.95923	0.5
846.16919	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05513	24.2
69.03428	12.9
69.07069	7.1
71.01344	2.3
71.04994	7.1
71.28527	2.1
79.05495	49.6
80.05841	1.4
81.03417	31.0
81.07051	24.8
83.01345	20.1
83.04980	17.1
83.08617	17.8
85.02910	15.8
91.05482	55.2
91.53449	1.4
93.06474	2.8
93.07043	48.1
95.04960	11.8
95.08617	12.0
97.02892	10.8
97.06551	8.0
97.10162	2.6
99.04435	6.8
103.07137	1.4
105.07020	18.1
107.04951	17.4
107.08596	28.7
108.04498	2.4
109.02878	7.9
109.06519	11.7
109.10114	2.6
111.04443	4.8
111.08063	2.2
115.05450	3.8
117.07015	41.6
118.07327	1.9
119.08569	14.5
121.06512	5.8
121.10152	10.2
123.04472	1.9
123.08067	11.2
125.05947	2.5
125.09618	3.2
127.03912	12.7
129.07004	2.4
130.07744	3.4
131.04898	1.7
131.08568	5.9
133.10124	3.6
135.08054	38.2
135.11691	16.7
137.09619	2.4
145.04967	4.5
145.06435	2.9
145.10121	20.9
147.08003	2.6
153.09077	2.8
153.12743	2.8
155.08569	1.6
163.07527	7.7
163.11168	40.0
173.09612	4.2
181.08598	3.6
181.12247	4.4
191.10591	7.7
199.09677	3.1
209.11720	28.0
227.12762	21.9
228.13055	1.9
242.16826	1.3
255.12273	75.0
256.12613	4.4
283.15396	100.0
284.15689	5.6
311.14883	1.6
325.12891	2.0
353.15887	22.3
371.16922	4.7
432.53156	1.5
463.23248	59.8
464.23547	4.4
474.99585	1.4
491.26596	7.9
868.46149	2.7
869.42297	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02871	0.6
64.68179	0.6
65.03896	2.4
67.05503	20.6
68.89022	0.6
69.03426	11.7
69.07061	3.9
70.19804	2.2
71.01324	1.5
71.04991	6.6
79.05489	45.8
80.05804	0.8
81.03415	29.5
81.07050	22.2
82.03712	0.9
83.01337	18.2
83.04974	17.9
83.08614	17.0
85.02909	12.4
85.06499	1.4
86.09655	0.7
91.05477	48.9
92.05766	1.4
92.89307	0.7
93.07039	45.1
95.04967	10.5
95.08070	0.7
95.08598	8.9
95.40131	0.6
97.02895	10.7
97.06537	6.5
97.10137	1.5
99.04440	6.8
103.05409	1.7
105.03333	0.9
105.06380	0.9
105.07025	13.6
107.04948	15.4
107.08591	31.2
108.04423	2.0
109.02236	0.8
109.02876	9.8
109.06514	11.3
109.10098	1.9
111.04439	4.4
111.08040	2.4
115.05455	5.2
117.07011	36.2
118.07315	0.9
119.07821	1.0
119.08577	14.9
121.06508	5.2
121.09299	0.8
121.10125	9.6
123.04356	1.1
123.07336	1.0
123.08065	11.2
125.05928	2.9
125.09593	2.6
127.03910	15.0
128.06195	0.7
129.06964	2.2
130.07735	2.7
131.04823	0.8
131.08571	4.0
133.10066	2.0
135.08044	37.2
135.11684	15.0
136.08359	0.8
136.12019	0.8
137.09607	3.3
139.07472	1.6
143.08524	1.1
145.04892	2.9
145.06429	2.6
145.09024	1.2
145.10114	23.1
146.10381	1.1
147.07991	2.9
149.05960	0.9
149.09552	0.8
153.07048	0.9
153.09032	1.9
153.12767	4.0
155.08507	2.1
163.07532	5.9
163.11176	46.0
164.11536	1.2
165.09166	0.7
173.09584	6.4
181.08514	2.2
181.12201	5.9
190.48711	0.7
191.10622	7.6
199.09616	3.0
202.91493	0.7
209.09714	1.4
209.11711	27.6
227.12764	25.9
255.12259	92.3
256.12518	3.2
281.13809	1.7
283.15390	100.0
284.15894	3.7
311.14926	2.1
335.14899	0.9
353.15924	22.3
354.15994	0.9
371.17007	4.1
387.75925	0.8
445.21945	1.6
463.23227	68.2
464.23303	5.8
491.26566	2.0
533.25586	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
63.11615	1.3
65.03927	3.7
67.05502	44.8
69.03429	14.2
69.07066	14.0
71.01346	4.7
71.04992	7.2
71.29809	1.4
71.30238	2.2
79.05492	56.1
80.05836	1.8
81.03417	30.1
81.07056	38.2
83.01336	13.3
83.04986	23.4
83.08616	16.3
85.02898	13.7
85.06533	4.0
86.09683	2.0
91.05479	30.3
93.07042	67.8
95.04953	13.1
95.08603	12.1
97.02889	9.8
97.06525	11.9
97.10152	6.7
99.04449	5.4
99.08092	1.9
99.22174	1.3
105.07023	16.3
107.04951	16.1
107.08588	37.6
109.02869	7.8
109.06518	8.6
109.10162	7.1
111.04454	2.6
111.08088	2.4
113.05984	1.7
117.07018	15.1
119.08584	15.0
121.06506	7.4
121.10154	14.1
123.08074	9.1
125.05940	1.9
125.09624	4.3
127.03904	19.9
129.06982	3.0
131.08554	6.2
133.10159	7.5
134.14603	1.7
135.04532	1.4
135.08034	5.5
135.11699	56.1
136.11992	1.6
137.09630	3.3
139.07564	2.0
143.08557	2.4
145.04958	3.2
145.10107	26.9
147.08044	2.4
147.11714	1.8
153.12758	4.2
155.08577	3.0
163.11179	32.8
173.09647	4.1
181.12221	28.1
184.07288	2.2
189.75058	1.7
191.10675	4.1
199.13274	5.6
209.11728	15.1
211.51701	1.4
217.12410	1.5
227.12810	13.2
241.14230	1.8
253.14299	3.9
255.15918	70.8
265.14212	2.6
283.15393	78.2
284.15744	3.1
289.17993	4.9
291.19400	5.5
325.16446	9.7
343.17603	1.9
353.16031	10.5
365.23221	2.2
445.25940	2.5
463.26883	100.0
464.27151	9.5
491.26404	13.9
653.40881	2.3
690.52203	1.7
723.23853	2.2
868.45929	2.4
869.42780	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	868.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	1.5
67.01884	1.2
67.05505	5.4
69.03436	3.3
69.07068	72.9
70.07406	1.6
70.63249	1.1
71.04992	2.1
71.08625	1.5
73.02914	1.2
73.06557	10.9
79.05500	2.5
81.03416	7.0
81.07061	3.7
83.04978	2.4
83.08620	2.4
85.02901	5.2
85.10178	0.8
86.09707	1.0
87.08105	100.0
88.08433	0.9
91.03912	0.7
91.05478	3.2
93.07034	1.9
95.04948	1.7
95.08595	2.6
97.02883	4.8
97.06538	10.4
97.10144	0.7
99.04450	13.0
101.02340	0.8
105.07022	2.3
105.09147	1.6
107.04933	0.7
107.08590	1.4
109.02880	16.3
109.06533	0.6
109.10143	1.7
109.20771	0.4
111.04429	3.2
115.07548	2.4
117.06944	0.7
119.08551	1.4
121.10121	0.7
123.04433	0.5
125.02319	2.1
125.09574	0.8
127.03915	62.8
128.04282	1.0
128.10719	3.6
131.08540	0.8
133.08568	2.3
133.10089	1.5
145.04959	6.6
145.10083	0.6
149.09598	0.8
151.11148	0.8
155.06972	1.7
159.13809	12.9
161.09554	0.9
163.06015	4.1
169.08603	5.7
173.15370	41.2
174.15714	0.9
179.10698	0.7
181.08627	0.9
184.07280	2.2
187.09528	0.8
195.10167	7.5
197.11778	1.0
201.14827	1.3
205.14241	0.8
209.08110	0.6
211.13194	2.0
215.12794	11.6
219.15858	1.4
223.09621	2.5
227.09145	4.8
229.14348	34.9
230.14569	1.3
231.12137	1.5
233.13655	0.8
241.08275	0.8
241.10701	15.8
247.15248	1.0
253.14214	2.2
259.11691	3.1
269.13705	1.0
271.12698	0.6
271.15359	5.8
277.12808	2.7
283.15253	1.3
313.27344	7.3
329.19687	2.5
337.16159	2.3
338.16833	0.6
341.12137	0.8
341.15906	10.4
342.16113	0.8
343.20798	1.8
355.17554	8.9
356.17795	0.6
359.16995	5.4
373.18613	4.3
377.17996	2.7
391.19543	5.8
401.21298	1.8
413.21591	0.6
415.22873	0.8
437.21655	0.8
455.22791	12.1
456.22055	0.6
469.24356	4.5
473.23398	1.2
487.24609	0.7
491.24854	2.8
505.25555	1.5
509.38351	6.8
510.38351	0.8
539.85901	0.6
869.45807	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5269
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02939	5.4
65.03934	1.2
67.05508	20.2
69.03426	4.2
69.07069	10.8
71.05002	2.3
71.08630	10.2
71.28570	1.2
73.02923	1.9
79.05495	11.3
81.03438	2.3
81.07058	22.6
83.04992	4.2
83.08617	5.8
85.02903	5.2
85.06549	2.5
85.10179	5.2
86.09720	3.9
91.03958	3.4
91.05485	17.9
93.07050	8.1
95.04980	3.4
95.08607	10.6
97.02900	4.2
97.06534	1.9
97.10173	2.9
105.07035	15.1
107.08607	11.6
109.06546	2.6
109.10159	27.0
113.05972	1.3
117.07039	2.9
119.08608	3.4
121.10197	1.6
123.08091	1.2
123.11714	4.4
124.99980	2.3
125.09651	1.2
127.03908	2.0
127.07549	2.1
131.08600	1.8
133.10143	32.1
134.10460	1.6
135.08084	1.4
140.92635	1.1
143.08606	1.6
145.10100	1.7
151.11195	18.5
152.11537	1.3
161.09644	2.3
161.72391	1.0
169.12273	2.1
179.10786	1.1
184.07317	7.2
215.12767	1.7
253.14357	100.0
254.14734	4.1
266.96106	1.1
269.17480	1.2
271.15396	23.9
313.27353	51.2
314.27692	3.6
453.25204	1.2
509.38403	57.6
510.39035	6.7
868.48254	1.8
869.50458	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	870.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	0.4
69.03419	1.4
71.05006	0.3
79.05475	0.9
81.03405	0.9
83.04980	100.0
84.05309	1.6
85.02901	2.3
91.05484	5.8
95.04969	0.8
97.02895	0.9
99.00818	3.5
99.04464	0.3
101.06013	1.1
107.04949	5.3
108.05288	0.3
109.02855	0.3
117.01846	0.6
119.04086	0.6
119.04945	11.9
119.07037	0.4
121.06480	0.3
123.04461	0.3
127.03873	0.5
135.04428	0.5
145.05026	0.4
145.06544	0.6
147.04408	34.6
148.04752	0.9
156.06601	0.4
159.04391	0.4
159.08066	0.3
161.05894	0.3
165.05478	2.0
165.06902	0.5
172.11597	0.3
181.04947	0.6
183.08070	0.6
185.06119	0.3
195.08154	0.6
199.06010	7.0
211.07529	0.7
212.08315	0.4
213.07173	0.4
213.09105	5.5
223.07669	0.4
225.09073	0.5
229.08607	1.5
229.14107	0.3
237.09099	0.9
247.07803	0.6
247.09659	15.6
248.10022	0.5
265.08542	0.6
277.12311	0.5
281.07294	0.5
281.10199	6.3
282.10675	0.4
283.09656	0.4
293.08011	0.4
299.11249	36.6
300.11591	1.7
311.09119	1.5
343.24908	0.3
393.13217	1.0
411.14471	1.5
461.16440	0.4
488.18658	0.3
493.18390	1.3
511.12735	0.4
511.19604	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	870.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03950	0.8
69.03439	0.5
81.03416	0.5
82.20509	0.2
83.04987	23.7
83.14887	0.2
84.05322	0.4
85.02912	1.0
91.05495	5.8
95.41164	0.2
98.23470	0.5
99.04470	0.2
101.06037	0.3
107.04960	1.0
108.68233	0.2
119.04950	16.3
120.05219	0.5
141.07007	0.3
147.04416	100.0
148.04749	2.8
153.07080	0.4
159.04424	0.4
165.05504	7.6
165.06831	0.3
169.06436	0.2
171.04398	0.2
177.05521	0.5
183.08089	1.0
183.96690	0.2
185.06032	0.2
198.43758	0.2
199.07596	0.3
201.09177	0.4
207.59302	0.2
211.07553	1.5
217.52769	0.2
229.08641	4.4
230.09023	0.2
247.09674	45.7
248.10020	2.2
265.10739	2.8
294.96680	0.2
329.13852	0.5
332.07925	0.2
361.10931	0.2
393.13312	1.5
409.15015	0.4
411.14447	0.4
486.43814	0.2
777.04291	0.2
825.44055	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02936	4.1
65.03922	3.2
67.05506	66.9
69.03423	15.8
69.07070	61.5
69.88483	2.3
71.04996	9.0
71.07430	2.1
71.08629	2.7
71.29725	4.6
73.02919	3.2
79.05488	54.2
81.03408	14.7
81.07054	59.1
83.04987	9.3
83.08628	14.5
85.02878	4.1
85.06544	4.8
86.09710	7.0
91.05475	52.9
93.07043	52.3
95.01334	2.4
95.04965	20.2
95.08607	31.9
97.02889	13.3
97.06536	23.8
97.10167	18.9
99.04421	2.9
103.05444	3.5
105.04549	3.1
105.07027	40.5
106.07352	2.2
107.04939	18.2
107.08599	26.8
109.06529	9.0
109.10160	27.4
111.08097	5.2
115.05428	4.6
117.07012	19.2
119.08559	31.1
121.06532	7.9
121.10146	15.4
123.08054	5.5
123.11749	3.1
124.99998	5.5
125.09628	12.2
127.03918	4.5
128.06207	4.3
129.07018	9.5
131.08568	20.4
132.37146	2.2
133.06517	5.4
133.10132	23.4
135.08060	7.9
135.11653	12.1
137.09631	11.0
139.11194	3.0
143.08537	6.4
145.10127	17.5
147.08060	7.0
147.11670	12.4
149.09618	18.2
149.13280	4.1
151.11232	3.6
157.10147	7.3
159.11700	10.3
161.09615	4.9
161.13275	5.3
163.11179	9.2
165.09084	3.6
169.10168	3.6
171.11697	5.6
173.09596	3.6
173.11737	5.2
175.11223	2.4
177.12790	4.3
179.14276	3.6
183.11684	2.9
184.07339	27.6
189.11238	5.7
194.48973	2.4
195.13736	3.1
223.13260	17.2
227.12744	8.1
229.14386	5.4
249.14906	3.2
253.14462	3.0
257.19040	5.5
269.17648	4.2
273.13257	3.9
273.18423	18.9
275.20065	20.0
278.93167	2.2
291.19550	100.0
292.19952	6.5
293.21164	3.6
313.27435	7.5
349.23734	23.9
365.23264	24.3
461.29016	5.2
511.36905	4.3
519.33258	5.0
543.36774	6.1
619.73486	2.4
639.42236	21.2
673.42578	3.4
870.42291	15.2
871.43597	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	872.5356
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	3.9
65.03947	5.5
67.05505	100.0
68.05835	1.9
68.27568	1.1
69.03430	11.1
69.07069	60.8
70.27943	1.1
71.01371	1.6
71.04993	7.5
71.92290	1.4
73.02924	3.4
73.72285	1.1
79.05495	72.0
80.05820	1.9
81.03416	17.6
81.07055	86.5
82.03684	1.3
82.07414	2.4
83.04984	15.4
83.08620	16.5
85.02906	9.1
85.06557	5.5
86.09723	3.7
91.03957	2.0
91.05480	72.0
92.05814	1.4
93.07045	65.8
94.07382	2.1
95.04967	18.9
95.08608	47.0
96.08951	1.7
97.02887	8.4
97.06532	23.1
97.10162	15.2
98.22622	2.2
99.04462	2.4
99.08099	3.2
103.05498	3.1
105.04530	3.2
105.07036	52.3
107.04961	15.0
107.08595	40.9
107.09290	2.7
108.08945	1.6
109.02892	2.8
109.06542	8.3
109.10155	32.9
111.04485	2.4
111.08069	5.9
113.05946	1.5
113.09682	2.2
115.05474	5.7
115.07559	1.2
117.07011	19.6
119.05004	1.8
119.08582	38.8
121.06498	6.4
121.10143	21.1
123.04456	1.5
123.08073	8.6
123.11703	6.0
125.00050	1.8
125.09621	12.8
127.03941	5.6
127.07588	1.7
128.06256	3.3
129.05518	2.6
129.06995	10.1
131.08563	29.7
133.06453	3.7
133.10127	31.0
134.10452	1.5
135.08054	6.7
135.11682	16.6
137.09612	12.6
139.11182	2.0
141.06996	4.3
142.07748	2.2
143.08571	8.7
145.06531	3.7
145.10126	21.3
147.08073	2.9
147.11685	17.1
149.09619	24.1
149.13228	9.1
150.10007	1.4
151.11211	5.3
152.48924	1.2
153.09056	1.6
155.08577	5.4
157.08961	1.2
157.10135	9.2
159.08067	1.9
159.11691	19.2
161.09665	3.3
161.13243	9.3
163.11186	12.1
165.12744	2.2
167.10808	1.8
169.10165	6.3
171.10231	3.2
171.11737	6.8
173.04549	1.3
173.11757	8.4
173.13298	8.3
175.11244	3.0
175.14755	1.7
177.12724	8.1
179.10626	1.2
179.14339	5.0
181.12225	1.7
183.11732	4.8
184.07315	5.3
185.13283	3.9
187.11185	2.3
187.14819	2.6
189.11290	6.1
189.12794	2.1
191.14386	1.3
193.12305	3.3
195.11934	1.7
195.13823	3.9
197.13309	3.8
199.11313	1.4
201.12776	1.6
205.12329	1.6
211.13177	1.5
211.14932	2.5
213.16562	1.5
215.14249	1.5
219.13957	1.5
223.13242	2.5
227.12737	8.4
229.14279	11.1
229.19507	2.9
239.17940	3.1
243.15991	1.4
245.13899	1.6
247.20663	3.3
253.14284	1.6
255.15981	4.6
257.18994	9.8
267.16019	1.9
269.17407	11.5
270.18021	1.4
273.18604	2.6
275.20062	36.3
276.20297	2.6
277.21570	1.4
291.19424	7.1
293.21207	1.6
331.22806	2.9
333.24341	2.3
333.59985	1.5
347.21930	1.5
349.23752	31.0
350.24088	2.3
365.23450	2.9
367.24786	2.8
409.25806	3.1
423.27365	3.7
437.30026	1.7
503.33606	3.1
513.35809	1.9
527.37256	3.9
528.36877	1.5
529.35132	3.0
543.36694	9.5
549.30121	1.4
602.72974	1.6
605.43445	1.3
623.43005	4.0
641.43628	1.7
872.43903	4.5
873.44171	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	873.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	0.4
67.05505	4.1
69.02672	3.3
69.03445	1.5
69.07070	1.1
71.01329	0.4
71.04998	0.8
79.05495	6.4
79.21601	0.4
80.06857	0.3
81.03417	2.5
81.07059	4.6
83.01349	1.2
83.04983	2.4
83.08619	1.6
85.02917	1.8
91.05481	6.3
93.07052	6.2
95.04985	1.9
95.08613	1.9
99.04456	1.1
101.02357	0.4
105.07039	2.6
107.04973	1.6
107.08608	4.3
109.02888	0.9
109.06542	1.7
109.10154	0.7
115.05469	0.6
117.07021	3.9
117.72163	0.3
119.08553	2.0
121.06545	0.9
121.10175	1.3
123.08108	1.6
125.09667	0.5
127.03957	0.7
131.08583	0.9
133.10175	0.8
135.08037	3.3
135.11714	2.2
137.09634	0.4
145.05028	0.4
145.10110	3.4
155.08572	0.5
163.11160	4.5
173.09718	0.5
184.07425	0.9
191.10707	0.8
209.11766	0.8
227.12843	0.7
241.48993	0.4
255.12329	0.6
258.77179	0.4
349.24057	0.6
451.19647	1.1
578.64136	0.4
647.26624	8.0
647.36584	0.6
675.30017	3.1
676.29919	0.5
792.95587	0.4
873.38715	100.0
874.38971	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.479
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	18.6
65.03951	3.2
67.05143	2.2
67.05504	44.5
69.03424	5.0
69.06679	11.1
69.07073	11.4
71.01360	1.9
71.05000	6.0
73.02920	5.8
77.03893	1.2
79.05491	59.6
80.05824	2.1
81.03417	10.9
81.07056	47.1
82.07372	1.3
83.01347	6.8
83.04983	10.1
83.08615	14.8
85.02898	25.1
85.06539	3.8
86.09711	3.8
91.03956	12.8
91.05483	31.2
93.07043	58.8
93.07632	3.0
95.04968	12.6
95.08048	2.5
95.08606	32.1
97.02882	14.6
97.06517	6.1
97.10169	5.1
99.04440	3.3
99.08089	4.6
104.25151	1.2
105.04510	2.2
105.07024	21.8
107.04932	7.8
107.08594	26.8
109.06512	7.1
109.10151	14.4
111.04465	1.8
111.08084	4.0
113.05981	1.5
113.09640	1.3
115.03941	1.4
117.07008	13.8
119.08569	17.0
121.06483	3.9
121.10134	28.1
123.08052	7.5
123.11718	6.0
124.99999	2.7
125.06004	1.4
125.09638	5.1
127.03911	4.9
129.07018	5.8
130.07755	2.4
131.08575	17.1
133.10112	13.7
135.08072	4.9
135.11687	29.3
137.09624	2.9
143.08534	2.7
145.04955	4.7
145.10109	23.9
147.08006	1.4
147.11687	9.6
149.09618	2.1
149.13254	10.4
151.11215	2.6
153.12772	2.9
155.08629	1.5
157.10133	3.0
159.11699	11.4
161.13278	3.1
163.06073	8.0
163.07294	1.5
163.11186	21.7
171.11667	1.8
173.09592	2.9
173.13252	6.5
176.76480	1.2
181.12263	3.0
184.07352	10.8
187.14793	2.9
189.11229	2.0
191.10689	2.8
191.14497	1.3
201.82774	1.3
205.19527	2.0
209.11720	4.7
215.17944	25.6
217.19386	1.8
227.12772	11.2
233.18985	21.7
234.19556	1.8
245.19173	1.4
267.15918	2.1
271.20566	2.8
273.18631	1.5
283.15396	100.0
284.15775	4.8
289.21512	2.9
305.21036	1.8
307.22665	86.9
308.22922	4.2
405.27890	2.6
423.28839	2.9
441.30179	2.0
470.42587	1.2
487.33972	1.9
497.32565	3.6
515.33661	72.1
516.34076	6.1
533.34680	4.4
594.97552	1.3
874.45734	10.8
875.47485	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	874.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	100.0
69.03433	8.9
69.07072	27.5
70.99327	3.7
71.04993	8.5
71.30357	5.0
77.08657	3.6
79.05063	7.3
79.05490	68.8
81.03410	14.8
81.07052	76.0
83.04980	14.2
83.08608	23.8
85.02912	8.7
85.06522	5.8
86.09705	6.5
86.76669	4.3
91.05476	59.1
93.07036	60.8
95.04978	15.8
95.08601	36.4
95.82782	3.7
95.83648	3.5
97.02899	5.1
97.06517	15.2
97.10176	14.6
105.07012	42.2
107.04959	10.5
107.08602	44.8
109.06510	12.6
109.10159	46.7
111.08081	4.5
113.36486	3.5
117.07008	17.9
119.08569	32.5
121.06529	4.4
121.10159	22.3
123.08062	12.2
125.09647	16.3
129.07018	9.5
131.08571	25.7
133.10132	24.2
135.08041	7.9
135.11703	16.1
137.09595	5.1
143.08493	10.3
145.10130	23.7
147.11693	16.7
149.09599	14.7
149.13237	10.6
151.11179	5.0
157.10123	7.8
159.11671	20.8
163.11194	14.2
164.46167	4.2
171.11623	6.9
173.11823	8.0
173.13210	7.5
175.11160	6.2
184.07303	20.7
195.13872	5.6
197.13164	3.9
227.12790	14.4
229.14290	24.4
238.18686	3.6
257.18994	11.0
269.17450	23.3
275.20068	47.4
291.19443	5.9
293.21085	7.8
349.23770	32.9
367.24609	9.5
409.26239	6.9
423.27344	22.5
463.30325	14.5
503.33673	19.0
529.36017	5.7
543.36774	36.3
544.36841	4.7
550.75873	4.0
561.37750	8.6
567.50916	4.7
598.29095	4.3
623.42853	12.0
641.43817	9.1
672.11627	4.6
874.38904	58.5
875.46747	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	875.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	0.8
67.05501	4.1
67.86553	0.4
69.01016	1.0
69.01409	3.5
69.03431	0.7
69.07076	1.8
73.02934	0.7
74.95855	0.4
79.05494	2.8
81.03428	1.3
81.07067	3.5
83.04965	0.6
83.08616	0.8
85.02916	1.2
86.09689	0.6
91.03952	0.8
91.05473	2.7
91.75571	0.4
93.07030	2.5
95.04997	1.2
95.08617	1.7
97.02919	0.8
97.06522	1.1
97.10184	0.8
105.07034	2.3
107.04977	0.6
107.08605	1.6
109.10175	1.5
110.88470	0.5
117.07023	0.9
119.08578	1.1
121.10149	0.9
127.03938	0.7
133.10172	0.8
145.10141	0.7
147.11687	0.7
149.02406	1.1
151.11150	0.5
163.11172	0.8
184.07317	0.9
193.05011	0.8
243.08598	0.7
260.64722	0.5
283.15530	1.8
309.24362	1.1
413.17352	0.6
517.35071	0.6
565.24091	0.9
567.25793	0.9
611.30365	1.9
698.13806	0.5
707.32599	1.1
771.27710	0.6
771.41693	0.7
777.39996	0.7
789.39923	1.3
875.45496	100.0
876.45740	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	876.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	10.3
65.03924	1.5
67.05505	29.1
68.05828	0.6
69.03432	2.8
69.07068	10.9
70.44176	0.9
70.44526	0.5
71.01334	1.0
71.04988	2.9
71.08624	1.2
73.02911	3.3
77.03915	0.4
79.05492	17.2
81.03416	7.2
81.07054	33.2
82.07391	0.6
83.01334	5.3
83.04980	7.7
83.08616	9.5
85.02905	14.6
85.06564	0.6
85.10164	0.5
86.09678	0.4
87.04404	0.6
91.03956	7.4
91.05478	13.3
93.07041	22.0
95.04971	4.4
95.08604	18.6
96.08921	0.5
97.02892	8.1
97.06532	3.9
97.10155	3.1
99.04451	2.6
99.08075	1.9
105.07028	9.8
106.07320	0.5
107.04956	4.6
107.08595	10.7
109.02861	1.2
109.06516	4.6
109.09444	0.7
109.10155	7.7
111.04433	2.0
111.08071	2.4
111.11694	0.5
112.05090	0.5
113.09625	0.8
115.03963	0.4
117.07024	4.8
119.08575	8.4
120.08875	0.6
121.06529	1.9
121.10141	9.1
123.08085	5.8
123.11713	3.0
125.05979	1.1
125.09638	2.2
127.03900	2.8
127.11224	0.5
129.05478	0.7
129.06953	1.0
130.07747	0.8
131.08577	2.8
133.10136	4.6
135.08055	1.7
135.11690	9.7
137.09604	1.8
137.13251	1.7
143.08560	0.5
145.04961	3.5
145.06427	0.7
145.10112	10.0
147.08020	1.6
147.11679	3.4
149.09576	0.9
149.13263	1.0
150.06502	0.6
151.11180	0.7
151.14790	0.9
153.12704	2.8
155.08516	0.7
159.11707	0.5
161.13268	1.9
163.05994	3.5
163.07274	0.6
163.11177	15.9
164.11552	0.4
173.09622	2.2
175.14778	1.1
180.08630	0.5
181.12231	2.4
184.07378	1.0
189.11237	0.8
191.10670	1.4
209.11717	4.5
217.19513	4.9
227.12785	3.6
235.20535	6.6
273.22067	0.9
283.15393	100.0
284.15747	4.7
302.14966	0.7
309.24222	46.1
310.24564	2.6
329.18997	0.4
360.53476	0.5
375.62790	0.4
393.10394	0.5
403.24594	0.6
425.30551	1.2
443.31302	0.5
461.32355	0.7
499.33914	2.4
517.35223	32.7
518.35730	3.0
535.35999	1.4
691.66437	0.4
749.40448	0.5
763.62286	0.5
774.40155	0.5
790.39795	0.7
791.41174	0.5
858.46082	0.5
876.48120	6.7
877.48132	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	876.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	12.8
65.03941	1.9
67.05505	36.0
69.03423	3.9
69.07069	13.6
71.04990	4.0
71.08620	1.6
73.02917	5.2
79.05487	19.5
81.03421	8.1
81.07053	45.1
82.07394	1.2
83.01340	6.5
83.04980	9.0
83.08614	10.5
85.02904	17.7
85.06543	1.3
85.10148	1.0
86.09696	1.1
87.04457	1.6
91.03957	9.4
91.05477	17.4
93.07043	21.6
95.04969	5.3
95.08604	29.2
96.08955	0.8
97.02888	9.1
97.06528	6.7
97.10178	3.3
99.04447	1.7
99.08090	2.9
103.05456	0.8
105.04552	0.8
105.07027	12.7
107.04933	4.8
107.08587	12.0
109.00261	0.8
109.06522	4.3
109.10147	8.8
111.04431	1.8
111.08070	2.2
113.09651	1.4
117.07018	5.9
119.08558	10.2
121.06489	1.5
121.10137	9.1
123.08054	6.2
123.11718	5.3
125.05937	1.2
125.09666	2.0
127.03911	2.5
129.06978	1.4
131.08569	2.8
133.10141	7.3
135.08070	2.1
135.11702	11.5
137.09624	2.4
137.13225	2.4
139.11134	1.1
143.08563	1.3
145.04907	4.3
145.10117	10.0
147.08029	1.3
147.11703	3.9
148.04977	0.9
149.09631	1.0
149.13240	1.4
150.06618	0.8
151.11151	1.5
151.14845	2.1
153.12743	2.6
159.11627	0.8
161.13264	2.4
163.06009	3.8
163.11191	14.1
173.09613	1.5
175.14882	1.2
181.12254	1.7
184.07306	3.9
191.10683	2.5
192.06355	0.7
209.11714	5.0
217.19511	6.5
227.12816	4.7
235.20566	12.2
273.22250	1.2
283.15393	100.0
284.12994	0.9
284.15610	3.9
309.24222	76.2
310.24524	4.4
376.68945	0.9
427.19391	0.8
439.19357	1.0
499.33972	2.7
502.80823	0.9
517.35217	68.2
518.35382	6.9
535.36346	1.8
551.27094	0.9
749.40356	3.5
791.41388	2.0
825.23627	0.9
876.47266	20.5
877.48181	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	877.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	2.6
67.05508	5.9
69.03442	2.7
69.07069	3.7
71.05042	0.5
73.02911	2.6
79.05502	3.7
81.03423	2.7
81.07046	4.2
83.08633	1.4
85.02908	3.4
85.06563	0.6
86.09729	1.5
91.03967	1.4
91.05479	3.7
93.07039	3.4
95.04994	1.7
95.08629	2.3
97.02898	2.9
97.06555	1.4
97.10214	1.3
99.04438	0.6
101.02414	1.3
104.64434	0.5
105.07056	2.1
107.04958	0.9
107.08627	2.2
109.10199	1.5
111.08109	0.5
117.07008	1.1
119.08611	1.7
121.10162	1.0
122.49855	0.5
125.00043	0.7
125.09625	1.2
127.03922	0.8
131.08595	1.7
133.10164	0.7
135.11726	0.6
143.08607	0.6
145.10185	0.8
149.09714	0.7
149.13293	0.6
184.07349	4.0
185.07751	0.8
223.13332	0.7
237.15131	0.4
243.08264	2.4
291.19559	1.1
301.09167	0.6
331.18869	0.9
351.21625	0.9
363.56589	0.6
388.56610	0.5
394.36722	0.5
527.47125	0.6
549.26434	4.5
551.28107	1.0
567.28290	0.7
569.29443	4.7
877.49072	100.0
878.49536	12.6
885.67212	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.5273
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	6.2
65.03938	0.6
67.05508	7.3
69.03436	3.3
69.07068	2.9
71.01348	0.6
71.04985	1.7
71.29291	0.6
71.50176	0.5
73.02934	2.7
79.05498	7.0
81.03415	2.5
81.07062	5.7
83.04987	1.1
83.08614	2.0
85.02898	5.0
86.09692	0.7
86.86440	0.5
87.04472	0.7
91.03970	2.6
91.05475	5.1
93.07039	5.9
95.04967	1.7
95.08610	3.5
97.02890	4.0
97.06554	1.3
97.10168	0.8
99.04483	1.2
101.02384	2.1
105.07028	3.7
106.12318	0.5
107.08607	4.1
109.02902	1.1
109.06531	0.5
109.10161	2.3
112.96452	0.4
117.07012	1.4
119.08585	2.7
121.10145	2.0
123.11747	0.6
125.09630	0.6
127.03910	1.5
129.06973	0.7
131.08603	1.5
133.10153	2.2
135.08115	0.7
135.11688	1.6
137.09560	0.6
145.10143	1.2
147.11667	1.0
149.13280	0.8
159.11674	1.1
161.13293	0.6
163.11203	0.6
171.11661	0.6
184.07379	1.9
185.04166	1.2
201.03764	1.0
243.08408	2.9
251.12845	0.6
283.15857	0.9
301.08957	2.8
315.10519	1.1
333.20175	0.6
365.23080	3.0
366.23413	0.6
371.16672	0.7
373.10977	1.2
385.18243	1.4
413.17398	0.8
465.20578	0.8
469.20477	1.0
481.20740	0.6
513.22833	0.7
519.36938	0.6
535.28900	5.9
541.22369	1.1
551.28284	1.8
567.26233	1.0
583.30902	5.2
611.29932	1.3
655.32281	1.0
667.32349	0.7
749.40216	0.9
775.41815	1.0
791.41907	4.9
859.48132	1.0
875.46381	0.7
877.51807	100.0
878.51221	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	878.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	9.8
67.05503	10.7
69.03392	2.2
69.07070	21.8
69.07427	0.7
69.60880	1.2
69.61288	1.5
71.04990	2.4
71.08633	5.7
73.02901	3.9
79.05493	12.8
81.03415	7.9
81.07059	13.9
81.23014	0.5
83.01340	5.5
83.04988	8.1
83.08619	23.3
85.02908	13.5
85.06499	0.7
85.10151	2.4
86.09666	0.7
91.03960	7.7
91.05484	9.1
93.07047	17.8
95.04960	4.2
95.08607	7.4
96.04379	0.7
97.02893	7.5
97.06541	3.9
97.10169	13.1
99.04419	2.3
104.18228	0.5
105.07018	6.2
107.04401	0.5
107.04946	5.5
107.08602	8.5
109.02871	1.0
109.06519	3.8
109.10125	2.1
110.82960	0.6
111.04399	2.1
111.08047	1.8
111.11731	2.9
112.53622	0.5
117.07024	6.3
119.08578	6.1
121.06491	2.4
121.09438	0.6
121.10145	6.6
123.08073	6.0
123.11697	0.5
125.05962	0.7
125.09650	0.8
127.03947	2.7
129.07018	1.0
130.07759	1.2
131.08537	2.2
133.10098	1.5
135.08078	1.3
135.11697	8.5
137.09569	0.8
139.11208	0.7
143.08528	0.5
145.04985	3.3
145.10126	9.1
147.08022	1.2
147.11629	0.5
149.02284	0.6
153.12724	1.5
155.08504	1.5
156.64818	0.6
163.06001	4.0
163.11186	15.1
164.11490	0.6
173.09579	2.3
181.12300	2.7
184.07294	3.2
191.10675	1.4
193.07396	0.5
199.06383	0.6
209.11690	5.2
217.37868	0.6
219.21078	0.5
227.12701	2.7
236.91626	0.5
237.21965	0.8
283.15402	100.0
284.15744	4.1
311.25787	69.3
312.26093	4.0
313.27133	0.7
519.36816	89.8
520.37103	9.3
859.73535	0.5
878.50006	1.8
879.42383	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.5464
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	2.0
65.03936	1.1
67.05505	13.3
69.07071	5.5
70.14324	0.3
71.05003	0.6
71.08631	11.5
71.29494	0.4
73.02923	0.9
73.06555	0.4
79.05493	16.8
81.03419	2.2
81.07053	14.6
82.07387	0.4
83.04981	3.3
83.08614	5.5
85.02914	2.4
85.06546	1.0
85.10186	6.9
87.04452	0.4
91.03975	0.9
91.04904	0.5
91.05482	13.8
93.07040	18.0
95.04971	4.7
95.08605	14.5
97.02905	1.5
97.06541	1.2
97.10172	3.5
99.08127	0.6
99.11768	0.6
105.04541	0.6
105.07030	9.6
107.04976	1.7
107.08590	4.2
109.06494	2.1
109.10157	4.9
109.27061	0.4
111.11737	0.4
117.07014	2.4
119.08582	6.3
121.06544	0.9
121.10154	1.0
123.08109	1.4
123.11727	1.3
127.03945	1.1
127.07549	0.7
128.06215	0.6
129.07008	5.2
131.08588	0.8
133.10138	2.6
137.13272	0.7
143.08545	2.4
145.04979	0.6
145.10101	2.2
147.11679	10.9
159.11639	0.5
161.09650	1.3
161.13286	2.7
163.06113	0.5
171.11700	7.7
184.07344	0.5
189.12733	3.1
207.13812	6.8
208.14125	0.4
239.23801	1.1
257.24863	1.2
271.07489	0.4
278.14676	0.3
281.17474	18.2
282.17795	0.9
313.27347	36.8
314.27560	2.1
333.99121	0.4
442.14188	0.4
519.40448	100.0
520.40765	10.8
586.03467	0.4
798.01508	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	7.1
65.03943	0.5
65.23559	0.3
67.05503	2.6
69.03433	4.5
69.07075	0.9
70.43186	0.8
70.43522	0.4
71.01348	0.7
71.04990	0.9
73.02922	4.6
79.05496	3.3
81.03414	3.0
81.07047	4.0
83.04977	0.6
83.08627	0.9
85.02904	7.3
85.03375	0.6
87.04486	0.5
91.03952	4.0
91.05464	2.0
93.07053	3.7
95.04984	0.6
95.08620	2.2
97.02892	7.7
97.10148	0.4
99.04486	1.1
101.02387	2.2
105.07059	1.5
107.08601	1.4
109.02905	0.9
109.06535	0.7
109.10161	0.6
115.03937	0.7
117.07022	0.6
119.08614	1.5
121.10177	1.5
123.08086	0.5
127.03944	1.5
129.05518	0.4
131.08582	1.2
133.10197	0.8
135.11699	0.8
145.04956	0.6
145.10187	1.0
147.11720	0.4
149.13315	0.3
155.07112	0.3
163.11255	0.8
184.07329	0.6
185.04291	0.9
189.72722	0.4
193.12253	0.4
203.05363	0.7
211.13184	0.4
218.32834	0.3
243.08456	1.2
254.77097	0.4
283.15417	0.6
284.81906	0.3
285.16946	0.7
307.22714	0.6
347.09491	2.5
365.10712	0.8
405.13608	5.2
441.73782	0.3
467.18936	2.9
491.26190	3.5
519.37030	0.4
520.37042	1.0
617.10681	0.4
629.24249	3.3
653.31427	8.7
654.31683	0.7
717.38062	0.8
879.43323	100.0
880.43628	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	879.5076
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	3.5
67.05505	6.8
69.03437	2.3
69.07063	3.7
69.60942	0.7
69.61333	2.0
71.01370	0.5
71.05016	0.9
73.02922	2.4
79.05499	3.8
81.03421	2.3
81.07054	6.3
81.07518	0.4
82.07359	0.4
82.20914	0.4
83.04994	1.1
83.08646	1.4
85.02917	3.7
86.09714	0.5
87.04489	0.8
91.03953	2.1
91.05477	3.7
93.07047	4.2
95.05001	1.5
95.08607	2.1
97.02896	3.8
97.06545	0.7
97.10186	1.0
99.04503	0.9
101.02402	1.3
105.07036	2.8
107.08585	2.4
109.06561	0.8
109.10176	2.3
111.08089	0.4
112.23778	0.3
115.03916	0.4
117.07053	1.4
119.08572	1.8
121.06513	0.4
121.10182	1.0
123.08109	0.9
125.09644	0.8
127.03974	1.1
129.07002	0.7
131.08624	0.9
133.10156	1.0
135.08145	0.6
135.11732	1.1
137.09621	0.5
145.10184	0.6
147.08093	0.4
147.11685	0.9
149.09738	0.4
149.13310	0.4
159.11737	0.5
169.96283	0.4
173.11852	0.5
183.46690	0.4
184.07469	1.5
187.08165	0.4
189.11221	0.4
203.05223	0.4
223.13327	0.4
229.14464	1.0
230.14809	0.7
243.08435	3.0
291.19611	0.6
296.89877	0.4
301.09271	0.5
333.20575	1.2
351.21573	1.4
389.23242	0.7
439.19446	0.8
453.21191	0.6
469.21112	0.5
499.21661	0.6
506.14169	0.4
519.33185	0.8
520.33514	1.0
551.28247	5.5
552.28247	0.8
569.29218	6.5
795.26172	0.5
822.39819	0.4
879.50763	100.0
880.51154	16.1
880.68463	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5249
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	14.6
67.05502	19.7
68.61387	0.6
69.03421	3.1
69.07070	10.7
69.13554	5.1
69.86537	0.6
71.01315	1.0
71.04990	3.5
71.08630	29.0
73.02914	4.6
73.06525	0.8
78.74630	0.7
79.05492	17.1
81.03415	10.7
81.07052	27.7
82.07361	0.7
83.01342	7.1
83.04977	9.4
83.08618	21.4
85.02901	19.3
85.06500	1.6
85.10181	17.7
86.03217	0.8
89.05977	2.9
91.03956	10.8
91.05473	9.9
91.58827	0.6
93.07038	23.6
95.04963	4.7
95.08606	25.0
97.02893	10.3
97.06536	4.6
97.10165	7.1
98.23414	1.3
99.04424	3.2
99.07990	0.7
99.11707	1.4
103.07497	0.9
105.07042	6.2
106.50990	0.7
107.04946	6.8
107.08592	12.1
109.02801	1.0
109.06524	5.7
109.10156	12.4
111.04369	2.1
111.08030	1.3
111.11679	1.4
114.34878	0.6
115.03851	1.1
117.07020	5.7
119.08582	7.1
121.06509	3.4
121.09320	0.8
121.10142	7.8
123.08065	8.0
123.11688	3.7
125.05966	1.6
125.09597	1.5
127.03876	2.9
128.06129	0.7
129.06953	0.8
130.07779	0.9
131.08580	3.1
133.10115	1.7
135.08009	2.3
135.11681	10.9
137.09563	1.3
137.13228	1.5
144.06630	0.8
145.04982	3.2
145.06226	0.6
145.10112	14.6
147.07990	2.2
149.09605	1.4
153.12666	2.5
155.08539	0.9
163.06017	5.5
163.11174	23.5
164.11549	1.2
173.09583	2.6
181.12183	3.7
187.85110	0.7
191.10603	2.3
209.11732	4.1
209.28920	0.7
227.12730	2.9
239.23662	2.9
249.12164	0.6
257.24765	3.2
275.25784	0.7
283.15390	78.8
284.15707	4.7
313.27344	100.0
314.27686	7.8
339.30441	0.7
521.38354	86.2
522.38751	10.5
821.98840	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	2.5
69.00970	6.1
69.03425	6.1
69.07074	0.9
70.06580	0.7
71.04977	0.8
79.05482	4.2
80.05016	1.7
81.03414	5.8
81.07047	1.3
82.06565	1.8
83.04967	4.4
85.02895	3.7
87.00828	0.7
91.05480	6.4
93.05781	0.8
93.07032	5.0
94.06570	10.5
95.04970	1.5
95.07359	6.0
96.08134	10.5
97.02888	4.2
97.06546	8.5
98.06884	0.7
98.22589	1.1
99.00753	0.6
99.04446	2.1
103.05476	1.3
104.04987	0.8
106.06560	3.8
107.04969	1.0
107.07323	5.1
108.08118	18.7
109.02879	2.6
109.08913	1.3
110.09687	22.3
111.04458	0.9
119.04951	4.6
119.58326	0.6
120.08109	19.2
121.06512	0.9
121.08887	4.3
122.06044	6.6
122.09670	30.1
123.06828	1.0
123.10040	0.6
124.07593	1.7
127.03887	3.0
134.05981	1.5
134.09660	1.3
135.04419	1.0
136.07588	9.6
137.08293	0.6
138.09140	100.0
139.09506	2.4
145.02850	0.7
145.05034	1.2
147.04416	28.1
148.04753	3.9
148.07536	0.9
150.09103	0.9
152.07094	3.5
152.10747	0.9
159.04385	0.7
161.02336	0.8
163.03889	6.6
164.04202	0.7
164.07069	22.9
165.07841	2.2
166.08647	13.5
173.02338	1.7
174.09171	0.7
178.08701	1.1
180.10207	3.4
182.08165	1.2
215.06950	3.1
216.07295	0.8
228.10159	1.2
229.09737	1.0
241.08789	0.8
244.06007	0.7
245.09245	0.7
252.49281	0.8
253.09627	0.8
257.09201	6.9
259.09656	9.8
260.09985	1.8
261.08545	1.1
277.10724	1.1
278.11078	0.9
295.10660	0.8
297.12442	1.1
298.09204	0.8
299.10281	4.6
301.11868	0.9
302.12637	1.3
303.13284	1.4
309.09729	2.5
310.10056	0.9
311.10159	0.7
313.08463	1.0
313.11755	4.5
317.11334	8.8
318.11865	0.8
329.11343	5.0
330.12106	1.7
331.12860	1.9
342.15738	0.9
350.12390	1.0
362.14877	0.7
368.13278	1.2
369.13977	0.6
374.14795	0.7
386.14471	12.6
388.16516	0.8
398.17035	0.7
406.17535	1.0
416.16025	1.1
421.14713	2.1
422.15192	1.0
434.17166	6.4
439.16086	1.2
450.16296	0.8
452.18149	20.0
453.18396	2.0
466.19656	1.2
480.17905	1.0
494.18936	1.1
510.18463	0.7
571.25476	12.5
572.25818	1.2
587.24945	1.0
589.26599	14.8
590.26685	1.3
597.23346	1.7
615.24536	19.4
616.24854	2.9
633.25458	2.4
881.39856	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4499
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	7.3
63.48484	0.4
67.05508	5.3
69.03426	3.9
69.07074	2.8
69.53083	1.8
71.01363	1.1
71.05003	0.8
73.02919	4.9
79.05504	3.4
81.03414	4.2
81.07054	6.4
82.07397	0.6
83.04964	0.9
83.08599	2.2
85.02911	9.1
86.09740	0.6
87.04479	0.6
87.94961	0.5
91.03955	4.7
91.05492	3.4
93.07047	3.4
93.69331	0.5
95.04999	1.3
95.08609	2.8
97.02896	7.4
97.06526	0.4
97.10175	0.6
98.22678	0.6
99.04484	1.5
99.08112	0.6
101.02368	2.4
103.03937	0.5
105.07056	1.9
107.04981	0.9
107.08593	1.4
109.02920	1.1
109.10197	1.6
115.03948	0.8
117.07014	1.0
119.08602	1.9
119.16458	0.5
119.96474	0.5
121.10134	2.2
123.11724	0.7
127.03889	2.5
129.06972	0.6
131.08565	0.9
133.10158	0.9
135.11732	1.1
145.05035	0.7
145.10184	1.3
147.11702	0.6
163.11147	1.1
184.07428	0.8
185.04288	0.7
193.12355	0.7
203.05293	0.7
209.11914	0.4
211.13345	0.6
243.08525	2.2
283.15628	0.8
309.24261	1.0
311.25858	1.3
312.26099	0.5
346.39276	0.5
347.09671	1.8
365.10672	0.8
405.13687	5.5
467.18900	4.3
493.27759	5.8
504.37561	0.7
521.38818	1.1
522.38708	2.7
629.24420	4.0
655.32941	7.0
656.33313	1.1
699.90723	0.5
715.49139	0.5
719.39709	1.6
881.44940	100.0
882.45129	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	881.4499
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	7.3
63.48484	0.4
67.05508	5.3
69.03426	3.9
69.07074	2.8
69.53083	1.8
71.01363	1.1
71.05003	0.8
73.02919	4.9
79.05504	3.4
81.03414	4.2
81.07054	6.4
82.07397	0.6
83.04964	0.9
83.08599	2.2
85.02911	9.1
86.09740	0.6
87.04479	0.6
87.94961	0.5
91.03955	4.7
91.05492	3.4
93.07047	3.4
93.69331	0.5
95.04999	1.3
95.08609	2.8
97.02896	7.4
97.06526	0.4
97.10175	0.6
98.22678	0.6
99.04484	1.5
99.08112	0.6
101.02368	2.4
103.03937	0.5
105.07056	1.9
107.04981	0.9
107.08593	1.4
109.02920	1.1
109.10197	1.6
115.03948	0.8
117.07014	1.0
119.08602	1.9
119.16458	0.5
119.96474	0.5
121.10134	2.2
123.11724	0.7
127.03889	2.5
129.06972	0.6
131.08565	0.9
133.10158	0.9
135.11732	1.1
145.05035	0.7
145.10184	1.3
147.11702	0.6
163.11147	1.1
184.07428	0.8
185.04288	0.7
193.12355	0.7
203.05293	0.7
209.11914	0.4
211.13345	0.6
243.08525	2.2
283.15628	0.8
309.24261	1.0
311.25858	1.3
312.26099	0.5
346.39276	0.5
347.09671	1.8
365.10672	0.8
405.13687	5.5
467.18900	4.3
493.27759	5.8
504.37561	0.7
521.38818	1.1
522.38708	2.7
629.24420	4.0
655.32941	7.0
656.33313	1.1
699.90723	0.5
715.49139	0.5
719.39709	1.6
881.44940	100.0
882.45129	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	882.5032
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01865	0.6
67.05499	2.0
69.00921	2.0
69.01320	0.8
69.03442	2.2
69.07068	100.0
70.07413	1.0
71.04986	1.4
71.08632	1.6
73.02929	0.8
73.06531	0.4
79.05499	1.0
81.03419	5.2
81.03859	0.4
81.07059	1.4
83.05006	0.7
83.08630	0.9
85.02910	4.3
85.06563	0.4
85.10210	0.5
86.09737	0.3
87.04473	0.5
87.08105	16.6
91.03947	0.5
91.05477	0.8
93.07061	1.3
94.07405	0.4
95.04986	0.5
95.08601	1.2
97.02887	3.1
97.06533	4.3
98.23357	0.7
99.04460	7.9
100.04825	0.4
101.02400	0.5
105.09148	1.4
105.84017	0.3
107.08607	0.5
109.02132	0.6
109.02876	11.4
109.06555	0.4
109.10146	0.9
110.09711	0.4
111.04452	4.2
115.03947	0.5
115.07590	1.4
117.07017	0.4
119.08648	0.3
121.10108	0.5
125.02418	0.8
127.03915	33.2
128.10706	1.7
133.08623	1.6
135.11679	0.6
145.04965	4.5
145.10132	0.4
163.06020	2.6
163.11288	0.7
169.08652	0.9
173.15375	29.5
174.15767	0.5
184.07385	0.9
187.09680	1.3
195.10158	2.5
201.14902	0.5
211.13239	0.6
219.15906	0.8
223.09721	0.6
225.80710	0.3
229.14345	25.2
230.14769	0.6
231.12231	1.1
241.10703	10.2
247.15463	0.9
259.11737	2.9
277.12869	2.3
283.15408	3.8
284.15680	1.9
285.16330	1.0
301.16464	0.9
313.27405	3.0
314.27823	2.5
315.27887	0.6
337.16617	0.6
343.21115	4.4
352.23212	0.3
355.17493	11.4
356.17731	0.4
373.18546	4.6
391.19601	6.2
415.23413	1.2
467.72217	0.4
469.24261	7.4
487.25183	1.6
505.26328	3.0
521.38519	1.2
522.38611	2.0
523.39185	2.8
606.28174	0.8
619.33380	0.5
715.38947	0.7
718.82843	0.3
882.49646	0.4
883.41510	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01126	0.5
67.01491	0.5
67.01863	1.8
67.05508	1.2
69.03432	3.2
69.07068	77.0
70.07397	1.7
70.54163	1.1
70.74255	0.5
71.04988	1.8
71.08624	0.6
73.02904	1.0
79.05482	0.9
81.03423	6.6
83.08643	0.6
85.02906	4.8
85.06532	1.6
87.04425	0.6
87.08105	100.0
88.08443	1.2
91.05475	0.7
97.02888	4.5
97.06532	10.7
99.03837	0.8
99.04456	12.3
101.02374	1.1
102.76263	0.5
105.09134	1.8
107.04919	0.6
107.08610	1.0
109.02877	16.3
111.04430	4.3
115.03913	0.8
115.07585	2.7
125.02366	1.3
125.09618	0.8
127.03913	62.3
128.04227	1.1
128.10703	1.8
131.09888	0.7
133.08595	2.4
135.20731	0.5
145.04958	7.7
163.06018	4.9
169.08574	7.3
173.15372	60.3
174.15660	1.7
183.13789	1.2
187.09560	1.9
194.41814	0.5
195.10152	7.0
197.91301	0.5
201.14784	1.4
211.13260	3.4
219.15924	2.7
223.09621	3.3
229.14348	44.4
230.14648	1.7
231.12224	1.2
241.10695	25.7
242.10942	0.7
247.15317	1.9
259.11774	4.8
277.12741	3.2
283.15244	2.3
301.16507	1.0
309.16760	0.6
313.27170	1.6
314.27533	1.0
337.16241	2.8
343.21133	4.4
345.18704	0.7
354.17950	0.6
355.17502	19.4
356.17566	1.2
357.02036	0.5
373.18552	9.8
391.19623	8.6
392.19916	0.6
415.22833	1.8
469.24350	13.3
470.24509	0.8
487.25421	2.7
505.26303	3.9
523.38727	0.9
601.31372	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5407
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.3
67.05504	24.5
68.05843	0.9
69.03429	6.2
69.07072	9.2
71.04994	4.4
71.08631	22.2
72.08979	1.0
73.02914	3.4
79.05492	18.1
81.03416	37.9
81.07055	29.7
82.03716	0.9
82.07370	1.1
83.01346	1.6
83.04971	10.4
83.08617	22.5
85.02903	24.5
85.06559	1.9
85.10181	12.5
86.09727	1.4
86.57652	0.6
87.04440	1.5
89.06007	1.1
91.03960	7.9
91.05477	23.1
92.34250	0.6
92.97705	0.7
93.07046	14.0
95.04966	16.8
95.05560	1.0
95.08605	21.3
96.05291	0.8
96.08932	1.5
97.02888	8.2
97.06528	3.8
97.10178	6.3
98.23457	1.5
99.04456	1.8
99.08124	1.4
99.11735	1.0
103.07558	1.1
105.07028	16.6
106.07402	0.7
107.04951	5.8
107.08587	7.3
109.02903	1.3
109.06530	3.9
109.10154	10.8
110.10490	0.9
111.04434	1.7
111.08076	6.0
111.11781	0.7
113.06024	1.2
115.05466	0.9
117.07029	3.2
119.04985	0.9
119.08582	14.3
121.06503	1.6
121.10132	6.2
123.08057	2.4
123.11715	3.2
125.00024	0.9
125.09673	1.2
127.03929	4.5
128.06265	0.7
128.79726	0.6
129.07002	8.2
131.08585	7.3
133.06519	1.3
133.10127	8.8
135.08066	1.5
135.11726	3.3
137.09619	1.5
141.06952	0.9
142.07791	1.7
143.08559	1.1
145.04958	3.5
145.10126	4.1
147.08046	2.2
147.11653	8.2
149.09631	4.1
153.12764	0.8
157.10115	9.4
163.06049	3.1
163.11171	3.4
164.11523	1.7
165.12810	1.7
171.11761	0.7
175.11197	8.0
184.07320	4.2
193.12234	25.3
194.12550	1.1
209.11748	1.0
210.12134	0.7
211.13298	36.0
212.13692	1.3
227.12779	3.4
228.13148	1.7
239.23714	1.7
257.24838	2.4
267.15909	17.3
283.15442	5.1
284.15625	3.6
285.16956	50.5
286.17334	2.7
291.19632	1.7
313.27353	73.2
314.27695	8.8
315.27997	2.7
331.28412	0.8
353.15979	1.7
354.16260	1.9
355.16556	0.8
465.35947	1.2
505.38852	16.9
506.39233	2.1
521.38336	1.4
522.38629	3.5
523.39899	100.0
524.40173	9.5
667.44348	0.7
704.16315	0.7
880.44653	0.6
882.47382	1.4
883.46185	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	882.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03913	0.9
67.05503	18.7
67.05834	0.7
69.03429	3.9
69.07067	10.7
71.04992	2.5
71.08630	22.5
73.02914	3.4
77.03908	0.4
78.39091	0.3
79.05492	13.9
81.03416	35.7
81.07053	25.5
82.03716	0.8
82.07359	0.6
83.01304	0.4
83.04977	8.1
83.08618	19.0
85.02904	22.6
85.06537	1.7
85.10181	13.2
85.10661	0.4
87.04410	1.3
89.05982	1.1
91.03419	0.4
91.03952	6.6
91.05477	18.5
92.05753	0.7
93.07039	9.6
94.07346	0.4
95.04965	14.1
95.08604	22.1
96.08900	0.7
97.02888	7.9
97.06521	1.8
97.10172	6.4
99.04415	0.7
99.08047	1.4
99.11687	0.9
100.11263	2.2
103.07536	0.8
105.07027	11.7
106.07310	0.5
107.04941	4.8
107.08591	4.8
109.02824	0.5
109.06510	2.8
109.10149	9.3
110.10483	0.4
111.04394	1.6
111.08061	4.8
111.11672	0.8
113.05972	1.0
115.05431	0.7
117.06984	1.4
119.08573	11.3
121.06426	1.2
121.09294	0.4
121.10131	5.8
123.08020	1.6
123.11700	5.0
123.29726	0.4
125.09598	0.7
127.03907	2.3
127.07478	0.4
128.06201	0.4
129.07008	6.3
131.07718	0.4
131.08569	6.9
133.06430	1.4
133.09219	0.5
133.10135	6.3
135.08078	0.4
135.11641	1.2
137.09567	1.0
137.13197	1.3
139.11211	0.4
142.07715	1.6
145.04947	2.4
145.10072	1.5
147.08081	2.3
147.11681	9.2
148.11992	0.4
149.09612	4.5
149.13269	0.5
151.14879	0.4
157.10118	8.3
163.06024	2.3
163.11122	1.5
165.12694	1.7
175.09694	0.6
175.11172	8.7
180.49092	0.3
184.07318	1.3
193.12244	23.5
194.12540	1.2
211.13286	29.7
212.13594	1.6
221.22438	0.5
228.77652	0.4
237.51927	0.3
239.23701	2.3
249.14819	0.4
257.24786	1.8
267.15912	15.3
268.16306	0.9
283.15378	1.1
284.15726	1.1
285.16943	34.0
286.17285	1.7
291.19543	0.9
303.23340	0.3
313.27338	76.9
314.27701	5.4
315.28220	0.4
319.22571	0.4
322.60886	0.4
405.13559	0.4
448.53555	0.4
458.36530	0.3
505.38846	18.4
506.39310	2.3
522.38696	1.2
523.39911	100.0
524.40240	10.4
883.30682	0.6
883.46649	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	882.5579
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03593	3.7
65.03940	7.1
67.05506	91.1
69.03433	18.2
69.07076	44.0
71.04983	10.4
71.08638	28.2
73.02920	9.0
79.05495	96.7
81.03416	25.1
81.07058	99.8
83.04971	22.6
83.08616	23.1
85.02900	19.8
85.06559	5.0
85.10201	6.8
86.09710	7.2
87.04483	6.2
91.03952	6.3
91.05484	100.0
93.07047	77.8
95.04974	26.8
95.08611	48.9
97.02894	23.7
97.06538	26.3
97.10178	10.0
98.22530	6.6
99.04472	8.6
99.08095	15.1
101.93845	3.6
103.05477	4.4
105.04500	5.8
105.07038	73.3
107.04956	16.0
107.08590	35.3
109.02890	6.7
109.06531	11.6
109.10164	15.9
111.08085	7.0
115.05462	13.9
115.98782	4.3
117.07022	69.6
119.08569	45.1
121.06517	9.2
121.10165	23.4
123.08068	11.7
123.11666	7.3
125.09647	7.0
127.03929	12.5
128.06253	11.9
129.05502	7.1
129.07013	41.4
130.39178	3.7
131.08589	56.3
133.06532	7.0
133.10114	28.9
135.08049	18.1
135.11716	18.2
137.09592	4.8
141.07021	23.1
141.12784	4.5
141.33447	3.9
142.07790	5.5
143.08568	27.1
145.06512	4.4
145.10146	30.3
147.08058	6.8
147.11710	16.2
149.09627	16.8
149.13268	12.0
151.11104	5.1
155.08553	18.4
157.06416	4.3
157.10176	20.0
159.08125	8.6
159.11739	25.0
161.09581	7.3
161.13232	5.9
163.11221	14.3
167.08591	11.7
169.10156	20.8
171.11716	15.0
173.09575	5.3
173.11908	4.0
173.13312	15.2
175.11256	7.4
175.14824	4.1
177.12703	4.8
179.08549	6.2
181.10197	12.2
183.11717	19.5
184.07388	14.3
185.09612	4.4
185.13252	14.3
187.11186	16.4
187.14801	4.8
193.10088	5.9
195.11765	8.9
195.13747	6.1
197.13298	4.5
199.14830	7.9
201.12787	11.6
203.14311	7.1
217.15919	5.7
219.13870	4.4
239.17999	5.8
255.15976	11.4
265.19565	6.9
267.15967	17.9
269.17554	35.7
275.19998	21.7
283.15433	7.3
283.20621	15.7
284.15933	4.0
285.16974	9.5
293.17560	16.7
301.21579	12.9
313.27319	30.4
314.27673	6.7
346.00330	4.0
349.23785	22.5
367.25058	6.2
375.25262	9.0
473.28815	9.9
487.30447	14.1
505.38724	4.5
522.38586	4.1
523.39905	23.5
564.54230	3.9
567.36475	5.8
569.38116	8.6
881.92847	4.1
882.48975	47.8
883.46722	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	883.324
Annotation	Unknow
Peak:m/z	Relative Intensity
64.04498	0.3
65.03959	0.4
67.05497	0.9
69.03434	2.1
70.06589	0.3
79.05517	1.2
80.05014	0.7
81.03414	0.9
81.05785	0.3
81.07059	0.7
83.04981	3.6
84.05318	0.4
85.02913	0.5
85.06535	0.6
91.05482	1.2
92.04983	0.3
93.07045	0.8
94.06569	1.5
95.04957	0.5
95.08609	0.4
96.08143	0.3
97.02884	0.9
97.06529	0.8
99.04460	0.5
105.07037	1.0
106.06546	2.8
107.07345	12.4
108.08126	0.5
109.02893	0.5
119.04925	1.0
119.08634	0.3
120.08122	1.6
121.08838	0.3
122.06097	2.1
122.09672	100.0
123.09997	2.2
124.11138	0.6
127.03929	0.4
131.04950	0.3
134.09659	0.4
136.07599	2.9
136.11203	0.5
140.07040	0.3
146.09645	0.4
147.04413	4.1
148.04739	0.8
148.07610	0.5
148.11212	1.5
149.08385	0.4
150.09122	2.3
154.08612	0.3
156.71774	0.2
161.02353	0.3
162.05544	0.5
162.09183	0.4
163.03867	0.5
163.11125	0.3
164.07048	2.7
164.10744	0.9
166.08652	4.6
174.09134	0.7
176.10718	4.4
177.06583	0.7
181.09789	1.6
185.07144	0.3
188.07141	0.3
191.08224	1.8
200.07068	0.3
201.06616	0.4
202.07298	0.8
202.08871	2.0
203.08148	0.7
217.09686	2.6
220.09708	6.3
230.08151	1.8
231.07764	0.3
233.09276	0.7
236.14989	0.9
243.07628	0.5
243.11340	0.5
245.09258	1.2
248.09244	0.7
257.09253	0.6
259.10098	0.8
260.09787	0.3
261.08716	18.1
262.09058	0.6
263.10284	0.5
269.09311	0.4
272.09247	0.8
285.08923	0.4
287.10300	2.7
289.11810	0.8
301.12085	0.2
302.12881	0.5
305.07785	1.7
307.12900	0.8
309.09708	0.6
310.10120	0.4
312.31311	0.3
312.95163	0.3
313.08154	0.7
315.09772	0.3
329.11560	0.3
338.15140	0.4
344.17737	0.4
347.17612	0.3
360.13309	0.3
361.14301	0.6
370.14975	0.3
372.16946	0.4
380.16107	0.5
388.16583	0.5
390.18054	2.5
392.19788	0.4
398.17236	2.6
406.17160	0.3
408.19186	0.7
409.15128	0.3
410.20807	0.4
416.16364	0.4
418.17545	0.9
421.34140	0.3
424.18903	0.3
434.17355	0.7
436.18723	6.4
437.18750	0.5
450.16910	0.3
452.18311	1.6
454.19907	0.6
462.16666	0.7
470.19269	6.9
480.17953	0.4
507.25900	0.4
527.26630	0.4
555.25818	1.2
559.72095	0.3
573.27057	14.1
574.27374	1.2
581.23840	0.7
591.28192	10.4
592.28003	1.1
599.25085	5.9
600.25024	0.7
617.26154	4.1
618.25836	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	0.3
67.05501	0.7
69.03433	0.7
71.04989	0.2
71.29232	0.2
79.05495	1.4
80.05022	0.8
81.03436	0.7
81.05820	0.4
81.07048	1.0
82.06582	0.3
83.04995	0.9
85.02900	0.5
86.43256	0.2
91.05479	1.0
92.05002	0.3
93.07034	0.8
94.06597	1.4
95.04987	0.5
95.08586	0.5
96.04509	0.3
97.02898	0.7
97.06540	0.6
97.10175	0.4
105.07045	1.0
106.06554	3.5
107.07340	13.3
107.08519	0.3
108.08167	0.4
109.64181	0.2
119.04938	0.6
119.08605	0.4
120.08124	1.0
121.06485	0.3
121.08875	0.4
122.06127	1.3
122.09669	100.0
123.10023	2.6
131.08502	0.2
133.10136	0.4
136.07576	2.5
136.11179	0.3
140.07047	0.2
147.04433	2.0
148.11250	0.3
149.08401	0.4
150.09149	3.1
160.07681	0.2
162.05566	0.3
162.09106	0.5
163.03946	0.3
164.07082	2.0
164.10741	0.7
166.08658	2.2
173.30862	0.2
175.11090	0.2
176.10721	0.9
177.06612	0.7
180.15901	0.2
181.09721	1.8
188.07169	0.4
191.08179	1.4
197.92976	0.2
202.08739	1.3
203.08131	0.4
204.06609	0.3
215.73875	0.2
217.09703	0.5
219.11357	0.3
220.09749	1.4
229.06140	0.3
229.12213	0.2
230.08093	1.7
236.15056	0.5
237.15240	0.2
244.09956	0.3
245.09096	1.0
247.10780	0.2
248.09186	0.7
261.08743	0.8
261.12570	0.3
263.10312	0.4
272.09259	0.6
283.15347	0.3
287.10239	0.8
289.12042	0.5
305.11389	0.2
307.13028	0.9
324.13281	0.2
333.10840	0.5
340.12775	0.2
370.14960	0.8
398.17163	0.5
406.17560	0.3
408.19339	0.5
410.20560	0.5
427.57739	0.2
436.18710	1.4
437.18439	0.2
452.18225	1.7
453.18665	0.3
454.19565	0.5
470.19214	7.0
471.19489	0.5
473.25864	0.2
474.25754	0.3
480.17981	0.3
491.26483	1.3
492.26453	1.2
506.28363	0.3
509.27429	0.3
527.26959	0.2
555.26031	0.4
573.27148	3.0
574.26648	0.3
575.24969	0.3
591.28168	6.0
592.28186	0.6
599.25000	2.7
600.25543	0.4
617.26001	3.1
618.25897	0.5
635.30426	0.3
636.30890	0.5
670.60693	0.3
680.50287	0.2
883.26770	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03909	0.2
65.30646	0.2
66.82989	0.2
67.05505	0.5
69.03430	0.7
71.00393	0.2
71.29570	0.3
79.05496	0.8
79.59192	0.2
80.05006	0.3
81.03417	0.4
81.07040	0.3
82.06588	0.2
83.04984	0.3
85.02866	0.5
91.05462	0.9
93.07041	0.8
94.06583	1.1
95.04966	0.4
97.02836	0.3
97.06512	0.2
105.07003	0.9
106.06540	2.4
107.07335	12.4
119.04899	0.4
120.08110	1.1
121.08885	0.3
122.06131	1.3
122.09663	100.0
123.10011	2.4
124.11218	0.2
131.08594	0.3
136.07571	2.6
136.11195	0.4
140.07106	0.2
145.09937	0.2
147.04424	1.3
148.07515	0.3
148.11237	0.3
149.08372	0.3
150.09148	2.3
162.05548	0.4
162.09161	0.4
163.03804	0.3
163.11136	0.2
164.07057	2.2
164.10710	0.4
166.08650	2.2
172.55383	0.2
174.09137	0.3
176.10719	0.4
177.06577	0.6
181.09721	1.9
188.07133	0.5
191.08154	1.9
202.08676	1.4
203.08159	0.5
205.09752	0.2
217.09735	0.2
217.75623	0.2
220.09715	0.9
230.08110	1.6
245.09271	0.8
248.09161	0.8
251.07814	0.2
259.10934	0.3
261.08786	0.6
263.10397	0.3
265.11942	0.3
272.09192	0.8
283.15195	0.3
287.10352	1.0
289.11890	0.7
307.13034	1.0
333.10901	0.2
370.14978	0.9
388.97888	0.3
398.17422	0.3
434.17218	0.3
436.18558	1.1
452.18164	1.6
454.19666	0.2
470.19220	7.3
470.25946	0.4
471.19476	0.5
491.26407	0.3
492.26843	0.4
527.26349	0.2
555.26111	0.3
573.27112	3.3
574.26898	0.4
575.24701	0.4
591.28094	4.7
592.28571	0.4
599.24951	2.6
600.25226	0.3
617.26007	2.9
618.26160	0.3
743.45355	0.2
919.05414	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	2.9
67.79929	0.3
69.00514	2.6
69.03423	5.1
69.07079	2.4
71.01357	0.8
71.05003	0.9
71.08643	0.7
73.02916	5.3
79.05495	2.1
81.03416	2.2
81.07056	3.9
83.04993	0.8
83.08611	3.6
85.02905	7.8
87.04491	0.9
91.03946	5.5
91.05500	1.1
93.07037	2.3
95.04971	0.7
95.08608	2.2
97.02890	8.2
97.06534	0.5
97.10202	1.1
98.23466	0.5
99.04468	1.2
101.02390	2.7
107.05011	0.6
107.08623	1.1
109.02907	1.3
109.06544	0.4
109.10198	1.0
115.04005	0.5
117.07060	0.4
121.10123	2.2
127.03909	2.4
131.08517	0.3
135.08038	0.4
135.11717	1.7
137.13202	0.3
139.11269	0.3
145.05029	0.5
145.10158	0.7
149.13249	0.7
160.55617	0.3
163.11211	0.7
185.04289	1.3
201.03661	0.4
203.05331	0.6
219.21170	0.4
237.22258	0.5
243.08357	1.9
245.85852	0.3
249.11009	0.6
283.15433	0.5
311.25854	0.9
313.27600	0.4
314.27631	0.5
325.93518	0.4
347.09570	2.1
363.09143	0.5
365.10547	1.2
405.13666	5.7
436.90121	0.3
467.18896	5.0
468.19424	0.6
495.29294	6.6
496.29501	0.4
506.24051	0.4
524.39856	0.4
629.24097	3.9
630.24329	0.4
657.34479	7.9
657.44891	0.6
658.35138	1.1
681.82867	0.5
693.75000	0.4
721.41211	2.2
722.40961	0.5
758.87555	0.4
883.46503	100.0
884.46753	15.4
884.64240	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	2.6
67.05772	0.3
69.03430	4.5
69.07082	1.4
71.01382	0.6
71.04997	0.8
71.08639	2.0
71.29508	0.5
73.02917	4.4
76.76225	0.4
77.98511	0.3
79.05479	2.0
81.03429	2.2
81.07070	2.5
83.04967	0.8
83.08628	1.5
85.02914	7.0
85.10198	1.3
87.02997	0.3
87.04478	0.5
87.14001	0.3
91.03955	3.5
91.05502	1.6
93.07059	1.5
95.04974	0.6
95.08594	2.7
97.02892	6.1
97.10152	0.6
99.04498	1.5
101.02375	2.1
105.07036	1.2
107.08617	0.6
109.02915	1.4
109.10179	1.2
115.03982	0.6
117.05554	0.5
119.08601	0.8
123.11733	0.5
127.03942	1.8
133.10167	0.7
145.04956	0.6
147.11713	0.7
161.13318	0.5
185.04276	1.0
194.83473	0.4
203.05304	0.7
239.23666	0.5
243.08510	1.7
247.13205	1.4
313.27487	1.4
314.28101	0.4
347.09412	2.4
357.95038	0.4
363.08994	0.4
365.10626	0.9
405.13599	5.3
465.20981	4.8
497.30795	6.0
627.26263	3.4
628.25958	0.5
636.49268	0.5
659.36176	6.8
660.36530	0.6
721.45160	1.9
722.45642	0.5
883.50214	100.0
884.50537	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	884.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	1.1
67.05506	10.9
69.03429	3.0
69.07067	3.2
71.01365	0.8
71.04977	2.4
73.02908	1.2
79.05065	1.1
79.05495	13.6
81.03416	30.9
81.07057	12.8
83.01345	2.9
83.04983	7.2
83.08613	10.2
85.02896	4.8
85.06551	0.8
91.03954	2.1
91.05485	11.9
93.07048	12.1
95.04969	12.8
95.08603	5.4
97.02901	2.8
97.06517	3.1
97.10167	4.8
99.04447	1.3
103.05458	0.6
105.07031	9.4
107.04950	6.9
107.08582	6.9
109.02888	1.8
109.06532	4.0
109.10136	3.0
111.04463	2.3
111.08078	2.5
115.05438	0.6
117.07006	4.4
119.04917	0.6
119.08583	7.2
121.06498	2.8
121.10138	3.7
123.04443	1.7
123.08111	3.6
125.09641	3.4
127.03926	1.3
129.06978	4.7
131.08575	4.8
133.06512	1.8
133.10143	3.1
135.08060	2.4
135.11670	4.8
137.09598	1.3
142.07793	0.9
143.08549	1.4
145.04947	0.6
145.06491	1.6
145.10129	7.0
147.04405	1.6
147.08075	2.1
147.11716	2.4
149.09645	2.5
153.09109	1.0
153.12770	1.7
155.08553	1.7
157.10141	3.6
159.08104	1.2
159.11760	0.6
161.05984	3.9
161.09653	0.7
163.06009	1.5
163.11195	9.9
165.12743	0.9
171.08009	1.1
171.11630	0.6
173.05978	1.5
173.09642	2.3
175.11166	3.3
181.10252	0.7
181.12218	1.1
183.07999	0.6
183.11612	0.7
185.09630	0.7
187.07576	0.7
187.11180	0.9
189.09157	1.9
189.11180	1.2
191.10670	1.9
193.12218	6.1
194.12500	0.6
195.11693	0.7
199.11243	0.6
201.12715	0.8
205.12288	0.8
209.11746	2.4
211.11256	1.4
211.13327	1.7
213.12671	0.7
225.12833	0.6
227.12823	2.5
231.13808	1.7
235.11130	1.0
243.13739	1.0
249.14903	1.1
259.09735	0.7
265.14453	0.9
267.15912	16.7
269.15417	0.7
271.13315	1.3
273.14911	2.9
283.15393	16.5
289.14352	1.9
301.14426	1.0
336.12714	0.7
337.21484	0.9
355.22620	1.6
365.21170	3.0
376.65109	0.8
383.22150	13.7
384.22565	1.2
401.23358	5.9
407.24329	0.9
419.24167	2.2
431.24289	1.5
439.24799	1.7
457.25833	26.2
458.26328	1.3
475.26892	100.0
476.27249	8.9
493.27957	10.3
496.07452	0.6
499.27451	0.8
517.27838	2.2
541.27850	0.8
571.28558	1.1
583.28400	1.0
601.30212	1.5
696.08063	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03955	1.2
67.05504	13.5
69.03433	13.0
69.07072	80.9
70.07411	3.7
71.04996	3.3
71.08637	5.4
73.02905	2.2
76.43787	1.1
79.05495	4.6
81.03426	6.9
81.07061	5.2
81.22924	1.1
83.04987	8.1
83.08627	4.1
85.02911	6.3
85.06536	1.7
85.10199	2.9
86.09724	1.1
87.08109	100.0
88.08454	3.1
91.03973	3.0
91.05470	3.4
93.03486	1.3
93.07047	3.7
95.04967	2.1
95.08626	7.1
97.02911	3.8
97.06537	7.2
97.10184	1.8
97.83780	1.2
99.04462	2.5
105.07063	2.8
105.09135	2.1
107.08624	1.9
109.02895	3.9
109.10139	9.7
111.04443	22.6
115.07619	1.7
117.07021	1.1
119.08622	1.5
121.10133	1.3
127.03926	6.2
128.10733	3.2
129.05501	8.8
130.74681	1.1
145.05040	1.2
147.06529	9.1
165.07631	8.9
173.15382	53.7
174.15756	1.9
175.09731	1.4
184.07437	3.2
201.14900	2.5
211.13420	1.6
219.15846	1.6
225.11258	3.7
229.14351	41.0
230.14690	3.0
231.42162	1.1
241.10728	1.9
243.12402	1.5
255.15886	1.5
261.13358	3.6
275.20117	1.2
279.14465	3.3
313.27554	5.5
343.21207	5.0
356.17978	1.6
357.18994	1.9
363.89291	1.4
375.20117	4.4
393.21121	4.9
405.13702	1.7
447.35995	1.4
467.18918	2.3
467.37302	12.8
471.25912	3.0
489.27148	8.1
492.38892	1.4
497.30875	2.6
507.27872	3.4
525.41534	14.4
526.41248	1.6
603.33130	4.7
607.27399	1.3
659.35889	2.3
717.39722	1.5
885.48083	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5574
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03872	1.4
65.04193	0.5
66.45168	0.5
67.05424	53.4
67.06010	1.7
68.05783	0.8
69.00898	4.9
69.03347	2.7
69.06989	11.4
71.04912	14.7
71.05330	1.1
71.08551	20.1
71.08981	1.7
73.02838	2.8
79.05406	7.9
81.03326	2.4
81.06971	20.5
81.07504	1.6
83.04976	2.6
83.08617	11.6
83.09052	0.8
84.49612	0.5
85.02903	9.7
85.06446	2.6
85.10091	11.7
87.04407	1.0
87.08020	1.6
89.05939	0.5
91.03949	6.2
91.05479	8.9
93.07043	8.9
93.07574	0.6
95.04903	1.0
95.08605	21.3
95.09161	1.1
96.04402	0.5
96.08881	0.8
97.02892	6.3
97.06438	2.2
97.10181	4.6
99.04411	1.1
99.08017	0.9
99.11651	0.9
103.07520	0.6
104.81685	0.6
105.06976	1.1
107.08577	4.9
109.02800	1.5
109.06440	1.0
109.10154	56.0
109.10869	2.0
109.11184	1.5
110.10397	1.7
111.04365	1.0
111.08005	1.0
111.11626	0.9
117.06925	1.7
119.08574	6.4
121.10048	2.1
123.11713	3.4
127.03914	3.1
133.10033	1.1
135.11694	6.2
137.09634	6.8
137.13141	1.0
144.06529	0.8
145.04855	2.0
145.10107	2.6
151.11041	0.6
155.10574	2.1
161.56744	0.5
163.05888	2.3
163.11212	3.4
165.12575	0.6
169.12099	1.3
173.11740	8.0
173.15291	1.5
181.12170	1.1
184.07225	0.7
187.13229	0.6
229.14262	2.0
232.69525	0.6
239.23576	2.5
243.15887	0.9
255.15924	4.6
257.24759	0.8
287.18506	10.9
313.27365	26.3
314.27521	2.0
325.50577	0.6
328.48001	0.7
372.98346	0.6
399.42465	0.6
405.13330	0.6
431.22549	0.8
467.37305	85.5
468.37643	8.3
481.39056	2.4
493.38879	8.8
494.39359	1.1
497.30832	1.1
525.41498	100.0
526.41882	8.5
536.88477	0.6
550.77130	0.6
611.41107	0.8
659.36200	1.8
669.45624	1.8
759.33826	0.6
884.47791	0.6
885.48077	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	885.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	0.8
68.71745	0.2
69.03424	2.9
69.03764	0.2
69.07066	3.1
70.07418	0.4
71.01361	0.5
71.04992	0.6
71.08624	1.6
73.02917	3.7
79.05511	0.4
81.03410	1.8
81.07042	1.2
83.01372	0.3
83.05015	0.6
83.08624	1.0
85.02898	5.6
85.10181	1.4
87.04472	0.4
87.08103	0.4
91.03950	3.8
93.07047	0.5
95.04977	0.3
95.08590	1.7
97.02885	5.5
97.06558	0.2
97.10200	0.3
99.04475	0.9
101.02388	1.9
103.03963	0.3
105.07081	0.2
109.02872	0.9
109.10183	0.7
111.04459	0.6
115.03984	0.4
119.08602	0.2
123.08185	0.2
123.11712	0.4
125.06045	0.2
127.03896	1.6
129.05489	0.4
135.11668	0.3
145.05011	0.4
145.10143	0.2
163.11212	0.5
173.15431	0.8
174.15738	0.3
185.04147	0.9
203.05353	0.8
209.11789	0.2
229.14421	0.9
239.23827	0.4
243.08344	1.8
249.11200	0.3
283.15613	0.4
301.31299	0.2
313.27240	1.5
314.27762	0.2
344.21143	0.2
347.09543	2.0
352.42743	0.2
363.09372	0.4
365.10779	0.8
393.21457	0.2
405.13724	4.8
405.18982	0.4
462.95953	0.2
467.18903	3.1
468.19397	0.3
489.26718	0.2
490.27570	0.3
497.30823	5.2
498.31363	0.6
604.34625	0.3
629.23987	3.2
630.24835	0.4
659.36011	7.8
660.36707	0.8
723.42468	1.3
885.48047	100.0
886.48358	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	885.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05517	1.7
69.03423	3.8
69.03713	0.3
69.07068	19.5
70.07394	2.6
71.01356	0.4
71.04999	0.5
71.08630	1.6
73.02924	3.7
74.07152	0.3
79.05498	0.8
81.03432	2.2
81.07074	1.4
83.04985	1.7
83.08639	1.1
85.02909	6.4
85.10199	0.9
87.08099	3.0
88.08430	0.3
91.03954	3.3
91.05493	0.7
93.07071	0.9
95.04994	0.6
95.08634	1.5
97.02893	5.9
97.06554	0.7
98.22643	0.9
99.04475	1.3
101.02384	2.3
103.03952	0.7
107.04994	0.4
107.08611	1.0
109.02863	0.7
109.10167	0.6
111.04436	3.0
112.04853	0.6
117.07056	0.6
127.03921	1.9
129.05504	1.1
137.27069	0.3
145.05028	0.4
145.10167	0.4
147.06570	1.1
163.11267	1.0
163.35686	0.3
165.07579	0.4
173.15375	4.8
174.15683	1.6
184.07411	0.5
185.04362	0.5
203.05489	0.6
228.97630	0.3
229.14384	4.2
230.14650	1.7
243.08435	1.7
261.13327	0.7
313.27585	1.0
343.21271	0.6
344.21609	0.6
347.09616	1.9
363.08820	0.4
365.10757	0.8
375.20291	0.8
376.20642	0.5
393.21466	0.5
394.21729	0.5
405.13675	3.8
467.18869	4.9
468.37454	0.4
471.25922	0.4
489.26840	0.8
490.27521	0.6
497.30652	3.3
604.34137	1.1
629.24280	5.0
630.24200	0.5
659.36041	4.7
660.35730	0.4
718.41608	0.6
723.43158	1.0
885.48108	100.0
886.48389	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	886.333
Annotation	Unknow
Peak:m/z	Relative Intensity
62.45808	0.4
63.02343	0.5
65.03938	0.7
69.03432	0.7
69.10658	1.2
69.11072	2.3
73.02908	0.4
74.23823	0.4
79.05515	0.6
81.03416	0.8
83.04979	41.7
84.05302	1.2
85.02898	1.6
89.03889	3.4
91.05477	5.9
96.98319	0.5
97.02895	0.6
98.22629	0.8
107.04939	1.5
117.03381	3.5
119.04939	16.3
120.05282	0.8
121.02898	0.5
123.04425	0.5
128.06215	0.6
131.04924	0.5
134.43590	0.5
135.04413	8.8
145.02841	7.4
147.04402	100.0
148.04732	2.9
153.07097	0.5
157.06503	0.6
159.04395	0.7
163.03902	70.9
164.04214	2.4
165.05476	6.9
175.07492	0.5
178.47202	0.5
181.05000	4.3
181.06462	0.7
183.08025	0.7
185.05933	0.7
199.07561	1.1
201.05577	0.6
201.09058	0.6
211.07565	1.7
217.08536	0.5
227.06993	2.7
229.08578	2.5
235.07549	0.6
245.08136	3.6
247.09647	42.2
248.10049	1.6
263.09155	34.7
264.09543	1.1
265.10669	3.8
279.06494	1.1
281.10150	1.9
296.66229	0.4
297.07791	0.5
298.08041	0.4
320.57059	0.4
395.82001	0.4
406.13806	0.5
409.12753	2.4
427.13861	0.7
509.17987	0.7
511.23837	0.5
527.18976	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.459
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07069	0.9
69.36105	0.3
69.68639	0.8
69.68995	0.6
73.02927	0.7
81.07058	0.6
85.02901	0.6
88.08042	0.4
91.03940	0.4
91.05470	0.3
93.07030	0.4
97.02915	0.6
97.06533	0.3
98.23263	0.5
107.08566	0.5
109.02856	0.3
115.99840	0.4
155.06900	0.4
182.35884	0.3
184.07324	0.6
251.12761	0.5
269.13608	3.7
323.14417	0.5
341.15939	0.6
383.20355	8.9
383.25183	0.5
384.21112	0.4
390.89996	0.3
425.21503	0.5
455.22495	6.6
467.19424	0.4
509.23822	1.0
527.24756	1.6
641.31879	1.8
713.33984	0.5
755.37189	0.6
773.39246	1.2
887.46191	100.0
888.46405	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	887.46
Annotation	Unknow
Peak:m/z	Relative Intensity
68.26604	0.3
69.07082	0.5
74.23447	0.3
77.87398	0.3
81.03439	0.3
81.07065	0.4
98.23301	0.7
103.22877	0.3
109.10162	0.3
146.87251	0.3
155.06837	1.3
173.15460	0.5
174.72293	0.3
210.73195	0.3
269.13596	9.1
270.14053	0.5
273.75183	0.3
341.15939	1.3
383.20404	9.9
383.25198	0.5
384.20755	0.7
395.16949	0.4
425.21268	0.7
455.22488	8.1
456.23056	0.8
485.23895	0.5
509.23788	1.2
527.24591	2.2
641.31512	1.2
659.32831	0.6
708.16229	0.4
755.39490	0.6
773.39093	1.5
805.18091	0.3
869.45459	0.4
887.46075	100.0
888.46442	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	887.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	1.5
69.03429	3.4
69.07063	0.9
69.76226	0.6
71.01360	0.5
71.04997	0.4
71.08632	1.7
73.02914	3.7
74.13647	0.1
79.05508	0.6
81.03410	2.0
81.03792	0.2
81.07050	1.7
83.04991	0.5
83.08618	1.2
85.02900	6.6
85.06548	0.2
85.10187	1.1
87.04473	0.3
90.58312	0.2
91.03957	3.6
91.04525	0.2
91.05479	1.2
93.07053	0.8
95.04984	0.3
95.08610	2.0
97.02887	5.7
97.06541	0.2
97.10191	0.6
99.04459	1.1
101.02376	1.8
103.03938	0.4
105.07059	0.4
105.43608	0.2
107.04969	0.3
107.08600	0.3
109.02877	0.8
109.10152	0.9
111.04414	0.2
111.11739	0.2
115.03986	0.6
119.08581	0.2
121.10130	0.3
123.11739	0.3
127.03909	2.3
129.06996	0.2
131.08592	0.4
133.10156	0.3
137.13280	0.2
145.04980	0.3
145.10150	0.2
147.11720	0.4
149.09677	0.3
157.10208	0.4
175.11241	0.2
177.16565	0.1
184.07350	0.2
185.04222	1.0
193.12308	0.3
203.05347	0.6
239.23778	0.3
243.08406	2.0
251.12660	0.7
285.17102	0.2
307.15155	0.4
313.27411	1.3
347.09543	1.9
363.09201	0.4
365.10480	1.0
405.13641	4.7
405.18866	0.3
406.13828	0.2
469.20419	3.9
470.20972	0.2
497.30832	4.7
498.31396	0.4
563.39270	0.2
631.25671	3.1
632.25830	0.3
659.36078	7.1
660.36816	0.7
688.34180	0.2
712.32867	0.2
725.44629	1.5
887.49609	100.0
888.49939	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	888.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	2.0
70.06583	0.5
71.29827	0.9
79.05526	0.7
81.03416	2.5
83.04986	100.0
84.05321	1.4
85.02916	1.8
86.09711	0.8
91.05471	1.4
95.04982	1.5
97.02921	1.3
97.06564	1.0
99.04478	0.9
101.06041	1.1
107.04958	7.1
115.05479	2.1
117.07015	3.5
119.04975	2.0
119.07026	0.6
121.02924	1.5
122.84668	0.6
123.04410	0.9
129.07025	0.7
131.04956	0.9
133.06474	0.7
143.04961	1.5
144.05750	0.8
145.06483	4.6
147.04422	6.1
155.85588	0.6
159.08060	0.7
161.05949	0.7
165.05521	1.0
165.06956	1.0
166.07768	0.8
167.08524	3.2
171.04417	2.0
175.03941	0.8
178.07785	1.2
179.08641	1.2
181.06558	2.7
181.10188	2.2
183.08072	7.3
184.07327	1.2
185.09615	5.6
189.05518	4.1
191.08595	2.9
194.07271	3.9
195.08076	5.5
197.09610	8.2
199.07385	1.0
203.08481	1.2
209.06009	5.6
209.09612	13.9
211.07533	1.6
211.11235	1.3
213.09119	9.5
218.07376	0.8
219.08075	5.4
221.09613	3.2
223.07550	9.6
225.09117	15.0
227.07095	1.0
236.15036	0.8
237.09100	28.6
238.09569	1.7
239.10693	7.3
241.08609	7.0
241.12309	0.9
247.07697	1.8
247.11386	1.0
248.90486	0.7
249.09145	0.7
251.07072	2.0
255.10172	21.1
256.10696	0.7
265.08582	8.5
267.10370	0.8
269.08109	6.9
279.10049	1.0
283.09659	20.5
284.10052	1.4
285.11234	1.0
293.07990	0.9
301.10590	9.6
311.09149	22.2
312.09375	1.6
319.13458	1.2
329.10165	19.8
330.10645	1.1
337.14316	1.1
347.12860	1.4
365.13828	3.4
383.14978	3.3
393.13651	3.4
411.14395	19.8
412.14767	1.9
429.15448	14.3
430.16083	1.2
493.18265	1.1
496.64920	0.7
504.85333	0.7
511.19635	14.6
512.20197	1.7
529.20673	14.1
530.21204	1.7
889.28784	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5679
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	6.2
65.54217	3.0
66.43645	2.9
67.05508	100.0
67.32057	3.0
69.03448	6.9
69.07071	48.5
69.33643	2.9
71.04991	16.9
73.02903	5.9
77.03912	3.5
77.57777	3.0
79.05067	5.2
79.05499	72.0
79.05962	3.5
81.03432	23.6
81.07060	93.5
82.31481	3.0
83.04979	17.6
83.08646	17.4
84.07039	3.1
85.02901	11.1
85.06544	8.7
86.09719	4.3
91.05489	75.9
92.05813	3.6
93.07051	76.0
95.04976	16.7
95.08606	48.0
97.02897	11.0
97.06533	34.1
97.10168	11.4
99.08090	5.9
103.05438	3.5
105.07031	57.2
106.05503	3.0
107.04955	14.6
107.08598	52.9
109.02915	5.4
109.06499	16.8
109.10146	37.6
111.08087	8.6
115.07590	9.0
117.07024	30.0
119.08579	37.8
121.06513	8.9
121.10152	22.3
123.08080	7.5
123.11721	6.2
125.09644	13.1
127.03876	4.7
128.06197	3.9
129.07004	13.5
131.08591	32.8
133.06454	3.5
133.10127	32.6
135.08055	10.0
135.11679	19.2
137.09615	7.8
141.06943	5.5
141.77336	3.0
142.07773	3.6
143.08575	11.9
145.10141	23.8
147.08025	4.1
147.11667	18.9
149.09625	15.5
149.13277	10.1
151.11140	5.7
155.08545	9.6
157.10106	7.2
159.08099	4.8
159.11710	19.2
161.09590	5.0
161.13248	5.9
163.11165	11.9
169.10069	3.9
171.11737	7.8
173.04477	3.8
173.11774	7.2
173.13286	7.9
175.11162	3.9
177.12709	8.6
183.11862	4.0
184.07367	13.2
185.13269	6.5
187.14861	3.9
189.11243	3.5
191.14226	3.4
195.11713	4.8
195.13828	6.3
197.13251	3.8
215.14209	4.0
224.13922	3.2
227.12813	9.4
229.14326	15.1
255.15837	4.7
257.19107	7.4
269.17499	21.4
273.18701	3.6
275.20013	34.5
281.17285	4.0
291.19366	3.9
349.23779	30.8
409.25760	4.9
423.27426	24.8
445.29556	4.6
449.28860	9.3
463.30646	13.5
485.32193	3.7
503.33463	8.1
525.35376	8.4
529.35199	16.6
543.36798	40.9
544.36963	6.8
561.37512	8.9
607.34387	8.2
623.42902	4.7
837.49658	3.8
888.38000	5.2
889.46948	20.4
917.69440	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	888.5677
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	4.8
67.05505	100.0
69.03424	10.0
69.07066	37.3
69.21875	2.1
69.49377	5.7
69.49762	5.8
71.04991	19.5
73.02921	6.1
79.05492	77.3
81.03410	20.3
81.07059	94.3
82.07419	3.7
83.04981	19.4
83.08626	26.6
85.02923	9.2
85.06554	9.4
86.09696	3.7
87.04468	2.6
91.05485	62.1
93.07044	70.4
95.04955	21.5
95.08603	45.0
97.02882	7.8
97.06537	24.9
97.10165	15.4
99.04417	3.3
99.08080	3.7
103.05502	3.2
105.04542	2.8
105.07036	58.7
107.04950	13.6
107.08598	53.8
109.06540	16.3
109.10160	40.1
111.08076	7.6
113.06001	4.0
113.09608	2.7
115.05463	3.9
117.07021	27.6
119.07269	2.9
119.08590	39.6
120.71675	2.8
121.06536	7.5
121.10132	21.2
123.08091	5.7
123.11723	5.2
125.09627	13.5
127.03915	4.8
128.06198	4.5
129.07002	13.8
131.08574	32.0
131.10268	2.5
133.10133	30.0
133.88625	2.8
135.08034	12.6
135.11676	18.9
137.09641	5.4
142.07785	2.5
143.08586	14.4
144.09410	2.7
145.10114	24.6
147.08073	3.9
147.11716	15.6
149.09612	14.9
149.13304	11.5
151.11165	4.7
152.11559	2.6
153.09074	2.5
155.08612	5.8
155.10605	2.7
157.10136	9.6
159.11670	20.9
161.09662	5.3
161.13280	6.5
163.11140	11.6
169.10124	7.6
171.11697	7.2
173.04506	3.1
173.11766	6.3
173.13295	8.0
175.11188	4.4
177.12761	4.0
179.14281	4.0
183.11661	3.5
184.07347	5.8
185.13326	4.7
187.11134	3.1
189.11227	4.5
195.11813	3.7
195.13803	3.4
197.13234	5.1
199.11324	3.2
199.14879	5.0
201.12790	5.3
227.12764	13.7
229.14415	21.4
239.17920	4.7
245.19188	2.8
247.20590	4.6
255.15959	7.5
257.19022	9.8
269.17529	18.8
273.18521	4.7
275.20071	39.3
276.20328	3.1
291.19565	9.2
309.20468	3.1
339.23123	3.6
349.23795	29.0
365.23471	4.1
367.25385	2.7
409.25635	3.7
413.21777	3.2
423.27417	17.1
445.29721	5.1
449.29034	9.7
463.30484	16.1
503.33694	14.8
525.35828	4.6
529.35614	15.1
543.36713	30.4
544.37115	4.8
607.34869	4.7
623.42914	6.6
687.40717	3.7
888.42194	5.1
889.43909	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4756
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	0.8
69.07075	2.3
71.29530	0.9
85.02908	1.0
103.08321	0.6
109.10088	0.7
110.72258	0.6
146.92842	0.6
184.07364	0.9
269.13800	1.8
283.11667	0.7
383.20517	3.6
397.18445	0.8
405.14410	0.6
415.19666	1.4
439.02228	0.6
455.22522	2.2
496.50327	0.6
511.25555	0.7
529.26306	6.0
643.33075	1.8
775.41534	0.8
889.47650	100.0
890.47815	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	889.512
Annotation	Unknow
Peak:m/z	Relative Intensity
64.80578	0.5
67.05515	1.9
69.03421	2.6
71.05012	1.0
71.08629	1.5
73.02923	2.4
76.53233	0.5
77.91325	0.4
79.05489	1.3
81.03440	1.9
81.07082	1.5
83.08647	0.8
85.02887	5.2
85.10184	0.9
91.03949	3.0
91.05482	0.6
93.07081	0.6
95.08649	1.6
96.78133	0.5
97.02877	4.3
99.04442	0.7
101.02398	1.1
109.02867	1.0
109.10164	1.4
127.03955	1.6
184.07399	0.6
185.04256	0.9
198.57263	0.5
218.64662	0.5
243.08507	2.0
253.14255	1.8
313.27545	0.7
347.09616	1.5
365.10794	1.0
405.13577	4.1
471.22064	3.7
497.30832	4.9
498.31238	0.6
499.49713	0.6
563.85083	0.6
610.04175	0.6
633.27527	3.4
659.36249	6.3
660.36676	1.1
727.46234	1.2
889.51190	100.0
890.51660	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	892.5253
Annotation	Unknow
Peak:m/z	Relative Intensity
67.02409	0.9
67.49423	0.8
71.04604	1.2
71.04998	25.9
71.08633	54.6
81.03423	10.6
81.07051	0.9
81.08300	0.9
82.89439	0.9
97.02894	5.4
99.04459	2.8
99.08096	100.0
100.08434	1.6
100.88506	0.8
109.02885	21.0
109.03592	1.6
127.03919	34.5
131.07056	1.5
163.33327	0.9
197.08105	3.7
215.09206	2.6
224.13341	0.8
225.11183	7.3
241.09140	0.9
241.97882	0.8
243.12308	1.5
313.16473	36.4
314.16962	2.1
341.19562	4.6
429.24777	2.2
608.96246	0.9
742.12903	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.5239
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	5.3
68.56004	0.4
68.89613	0.4
69.03437	2.8
69.07073	3.7
71.05002	2.7
71.08630	0.5
71.28629	0.4
71.29049	1.0
73.02929	2.9
79.05505	5.1
81.03430	2.7
81.07072	4.9
83.04990	0.7
83.08627	1.2
85.02916	4.6
91.03988	2.1
91.05484	3.9
93.07045	4.4
95.05029	1.8
95.08611	2.6
97.02889	4.0
97.03412	0.4
97.06557	0.6
97.10194	1.3
99.04505	0.6
101.02431	1.6
105.07030	2.6
107.05086	0.5
107.08605	2.7
109.02925	0.8
109.06517	0.5
109.10181	1.4
113.24588	0.5
117.07079	1.3
119.08619	1.8
121.10206	1.3
125.09650	1.2
127.03981	1.4
129.05476	0.5
131.08617	1.5
133.10153	1.1
135.11719	0.8
137.09650	0.5
145.10152	1.0
147.11740	0.6
149.13361	0.7
155.92667	0.5
159.11699	0.5
184.07469	1.3
185.04309	0.7
203.71669	0.4
243.08434	4.0
301.09192	0.7
315.10495	0.5
333.20715	1.6
365.23343	2.1
439.19754	1.1
453.21158	0.7
469.20596	0.7
505.31290	0.5
551.28204	4.8
583.30774	6.2
584.31763	0.6
807.41791	2.4
847.44189	0.6
893.52313	100.0
894.52777	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	893.5225
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	5.4
69.03432	3.3
69.07069	3.5
71.01334	0.5
71.05005	2.0
71.29866	0.6
73.02924	3.1
79.05491	5.1
81.03414	2.4
81.07053	5.1
83.04970	0.8
83.08619	1.1
85.02911	3.9
91.03955	1.8
91.05470	3.5
93.07038	3.6
95.04983	0.9
95.08602	2.0
97.02901	3.7
97.06524	1.0
97.10151	1.0
99.04426	0.7
99.08180	0.5
101.02393	1.5
103.03937	0.6
105.07005	2.4
107.08604	1.9
109.02897	0.7
109.10153	1.8
111.08063	0.6
117.07043	1.6
119.08603	1.4
121.06535	0.5
121.10168	0.9
125.09612	0.8
127.03909	0.9
131.08577	0.9
133.10112	0.9
135.11696	1.0
143.08478	0.4
145.10106	1.2
149.09619	0.4
159.11697	0.5
170.62137	0.4
184.07332	0.9
185.04216	0.9
189.11156	0.6
192.58032	0.4
201.03725	0.5
203.05257	0.7
243.08415	3.6
283.15204	0.5
291.81888	0.4
301.08847	0.8
308.84241	0.4
333.20343	1.3
365.23114	1.9
365.60776	0.4
389.22726	0.4
429.16870	0.5
439.19397	1.3
468.95844	0.4
469.20383	0.6
481.20538	0.6
485.23596	0.5
513.22955	0.7
539.20978	0.5
551.28088	5.2
552.28351	0.6
583.30792	5.8
584.31067	0.7
623.29950	0.9
644.32990	0.4
749.40704	0.9
765.40948	0.6
791.41492	1.1
807.40601	1.0
824.70129	0.5
875.46851	0.9
893.52301	100.0
894.52612	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	894.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03953	3.4
67.05507	47.4
68.05824	1.5
69.03436	8.6
69.07066	13.3
70.06594	1.5
71.01341	1.7
71.04983	6.4
71.29712	1.1
71.30122	1.7
73.02906	1.4
73.06551	2.0
77.03935	1.5
79.05493	83.8
80.05859	2.2
81.02935	1.5
81.03419	28.0
81.07055	46.4
81.07529	2.6
83.01331	6.3
83.04979	16.8
83.08621	14.3
84.71349	1.1
85.02915	15.8
85.06555	3.9
91.05482	66.3
92.05795	2.4
93.07044	91.8
94.07400	2.8
94.71683	1.1
95.04972	23.1
95.08607	25.9
96.09048	1.1
97.02890	8.0
97.06551	7.1
97.10183	4.0
99.04473	6.1
103.05456	1.9
105.04531	3.7
105.07032	45.3
107.04966	11.2
107.08591	22.7
108.08943	1.4
109.02861	15.7
109.06527	11.9
109.10152	4.9
111.04437	4.0
111.08109	2.8
112.07635	1.2
113.05996	1.9
115.05437	1.5
117.07014	14.4
119.08578	30.7
121.06519	6.6
121.10144	11.9
123.08066	11.1
125.09635	1.2
127.03918	43.3
127.07547	1.8
128.06221	2.9
129.07004	16.7
130.07727	1.4
131.08560	5.2
133.10121	10.0
135.08034	2.8
135.11687	11.4
143.08553	10.0
145.04987	2.7
145.06502	1.1
145.10121	21.7
147.08061	3.9
147.11681	52.6
148.11980	2.4
149.02335	4.0
153.12746	1.6
155.08586	2.3
159.11748	1.7
161.09599	5.8
161.13242	12.9
161.93788	1.2
163.11183	23.4
163.81525	1.1
165.09117	1.4
171.11688	35.5
172.12128	1.7
173.09618	2.3
181.12190	3.3
184.07381	1.5
189.12759	14.0
191.10657	3.5
193.05009	3.7
207.13808	98.6
208.14140	3.8
209.11728	8.5
225.14813	9.8
227.12746	7.1
256.26398	1.6
265.14374	1.8
267.15964	1.7
281.17468	42.8
282.17822	2.5
283.15387	43.4
284.15796	1.3
300.28824	2.0
309.24176	1.5
333.17010	4.4
351.17944	22.9
352.18182	1.3
353.15900	6.2
369.19095	9.0
471.27432	5.2
489.28467	100.0
490.28943	10.5
491.26300	3.3
517.35297	2.2
808.39307	1.3
894.40753	5.7
895.43768	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	894.5051
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	22.5
69.03419	3.2
69.07069	19.2
71.01355	1.4
71.04999	1.9
71.05715	2.3
71.08598	1.1
73.02904	3.5
79.05492	12.7
81.03407	3.3
81.07059	27.6
83.04983	2.7
83.08147	1.6
83.08620	25.2
85.02908	13.3
85.06537	2.0
85.10177	1.5
85.57990	1.0
86.09714	4.4
91.03963	7.2
91.05477	16.7
92.41103	1.1
93.07047	21.2
95.04967	4.3
95.08619	14.7
97.02899	9.5
97.06519	4.3
97.10193	8.0
99.00820	12.5
99.08084	3.0
105.07034	12.3
106.36128	1.1
107.04958	3.9
107.08598	11.9
109.02908	7.4
109.06514	2.9
109.10157	8.0
111.04414	1.4
111.08076	5.3
111.11761	1.4
115.03929	3.1
117.07015	3.5
119.08566	5.6
119.87270	1.1
120.08125	3.1
121.06514	4.2
121.08433	1.3
121.10126	9.5
123.04400	1.5
123.08039	2.0
123.11675	5.7
125.09570	2.5
127.03906	4.7
133.10132	26.5
135.11685	10.6
137.05998	1.0
137.13339	1.3
139.07550	2.1
139.11211	2.6
143.08568	4.0
145.04980	3.3
145.10135	1.6
149.02325	3.3
149.13242	3.3
151.11191	8.7
161.09637	16.1
163.06076	3.0
163.14848	1.6
171.08038	5.0
179.10631	7.8
184.07381	2.7
189.09109	5.8
193.05026	1.6
197.11723	1.7
207.10126	2.5
216.94539	1.1
219.21109	2.6
225.11279	6.4
243.12325	1.9
281.13821	3.6
283.15445	2.3
299.14902	88.5
300.15277	4.7
309.24271	2.1
311.25806	100.0
312.26236	5.3
412.26370	1.2
448.92935	1.1
479.37555	1.1
489.26859	1.3
517.35657	1.6
527.20050	1.2
535.36298	86.0
536.36792	8.8
766.37903	1.4
808.43646	5.6
876.51324	1.5
894.47101	11.0
895.45325	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	894.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
64.94710	0.9
67.05511	13.8
69.03429	2.5
69.07069	5.1
71.04995	2.0
71.08634	19.6
73.02920	3.4
79.05490	13.3
81.03416	6.7
81.07063	19.0
83.01345	4.4
83.04978	6.3
83.08618	10.8
83.66414	1.1
85.02908	13.3
85.06573	2.1
85.10187	9.2
91.03959	6.5
91.05476	7.4
93.07043	15.4
95.04967	3.1
95.08614	16.4
97.02903	6.9
97.06522	2.1
97.09253	1.1
97.10181	5.7
99.04455	1.2
105.07026	6.4
107.04954	5.8
107.08582	6.0
109.06535	5.0
109.10162	7.3
111.04490	2.2
117.07049	3.1
119.08591	3.9
121.06536	1.8
121.10165	3.8
123.08075	4.5
123.11671	1.6
127.03923	2.7
131.08571	2.3
133.10165	1.3
135.11685	7.3
137.09590	1.6
137.13167	1.2
145.04996	2.8
145.10132	9.1
151.11241	1.4
153.12735	1.1
163.06047	3.3
163.11186	13.2
168.77296	1.4
181.12250	2.3
184.07402	1.4
209.11790	3.4
223.13376	1.2
227.12828	2.0
234.33694	1.0
253.25188	1.3
274.79767	1.0
283.15408	84.0
284.15710	4.0
297.16959	2.7
313.27423	4.3
327.28934	86.2
328.29355	5.5
339.29288	1.0
346.17969	1.0
375.96512	1.2
535.39929	100.0
536.40326	9.5
632.78394	1.1
764.01874	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	894.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03909	1.3
67.05506	24.3
67.05850	0.8
69.03436	3.2
69.07069	7.0
69.60271	3.1
71.04973	1.5
71.08635	15.6
73.02927	3.0
79.05087	0.9
79.05492	12.5
81.03428	5.8
81.07060	20.3
83.04987	2.8
83.08622	9.4
85.02905	9.6
85.06508	0.6
85.10188	9.2
91.03954	6.0
91.05482	7.4
93.07046	9.9
93.52927	0.5
95.04973	8.3
95.08612	16.0
96.52624	0.6
97.02884	6.0
97.06510	1.4
97.10172	8.9
99.04392	0.7
99.08044	1.1
103.05429	0.8
103.07574	0.8
105.04478	0.7
105.07023	4.4
107.04941	3.8
107.07869	0.7
107.08585	7.5
109.02847	1.0
109.06484	1.8
109.10160	9.9
111.08053	0.9
111.11679	0.6
112.66634	0.5
115.05386	0.5
117.07024	5.3
119.08524	2.1
121.06493	2.8
121.10119	2.4
123.08060	0.8
123.11678	2.5
125.09634	4.8
127.03873	2.4
131.08562	4.2
133.10071	1.9
135.08017	1.7
135.11693	0.9
137.13210	0.7
141.06969	1.0
145.04929	2.5
145.10110	1.5
149.13191	1.6
150.19791	0.5
151.14650	0.7
154.07787	0.7
155.10732	0.9
159.11687	3.3
163.05991	3.0
169.10118	1.0
169.69814	0.6
177.12703	2.4
182.94876	0.5
184.07144	0.5
185.12509	0.5
187.11177	2.2
189.11275	4.1
205.12292	4.1
223.13293	29.8
224.13696	1.3
227.12817	5.2
229.14394	2.6
239.23743	2.2
252.84341	0.6
257.24701	0.8
279.15903	2.3
283.15515	0.9
297.16965	60.3
298.17276	2.4
313.27365	74.5
314.27618	3.7
337.94504	0.5
467.37338	8.3
483.36792	1.3
507.40573	1.4
517.38947	2.5
535.39954	100.0
536.40411	9.4
553.40851	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.4637
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	0.9
67.05504	11.4
69.03426	5.2
69.07068	3.1
71.01345	1.2
71.04997	4.0
71.28709	0.6
72.47929	0.4
73.02896	0.8
77.03945	0.4
79.05492	18.7
80.05833	0.7
81.03416	15.5
81.06586	0.8
81.07054	15.4
82.07398	0.6
83.00893	0.7
83.01342	8.4
83.04979	10.5
83.08145	0.7
83.08617	10.1
84.33171	0.4
85.02427	0.6
85.02905	7.9
85.06541	0.7
91.05477	12.0
92.05776	0.5
93.07041	23.3
94.07367	0.5
95.04966	6.8
95.08049	0.6
95.08607	7.5
96.46065	0.4
97.02883	5.9
97.06114	0.3
97.06533	3.2
97.10208	0.7
99.04449	3.4
103.05492	0.6
105.04535	0.4
105.07031	8.7
107.04279	0.7
107.04960	8.6
107.08595	11.4
108.04492	0.8
108.08902	0.6
109.02887	4.6
109.06510	6.6
109.10149	1.6
111.04433	3.4
111.08056	1.3
115.05453	0.6
117.06209	0.5
117.07025	7.7
119.08585	8.4
121.06497	2.8
121.10138	7.5
123.04491	0.6
123.08070	8.3
125.05976	1.8
125.09605	1.6
127.03929	6.9
129.05571	0.4
129.06970	1.6
130.07767	1.5
131.08586	4.1
133.10155	2.0
135.04373	0.4
135.08038	1.9
135.11693	10.2
137.09616	1.6
143.08545	1.2
145.04933	0.8
145.06485	0.7
145.10117	16.1
145.11263	0.8
146.10478	0.7
147.08073	1.9
147.11742	0.6
148.12000	0.4
149.09665	0.8
153.12738	3.1
155.08560	1.6
163.11182	28.3
164.11475	0.7
165.09045	0.4
168.26808	0.4
169.24487	0.4
173.09601	3.0
179.36520	0.4
181.12213	3.9
191.10675	4.3
209.11720	16.9
210.12035	0.9
227.12769	12.6
228.13017	0.4
242.15254	0.4
281.13751	0.8
283.15393	100.0
284.15680	5.0
303.34073	0.4
311.14816	0.7
348.38983	0.3
351.13739	0.5
353.15918	10.9
354.16144	0.9
371.16873	1.5
473.25140	0.5
491.26364	41.7
492.26831	2.7
493.26773	0.4
588.82916	0.6
896.46936	7.2
897.44623	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.463
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	0.8
67.05506	9.8
68.05836	0.5
69.03431	5.6
69.07073	2.8
69.61157	0.3
71.01345	0.9
71.04990	3.0
75.09914	0.3
77.03942	0.5
77.67629	0.3
79.05495	16.5
80.05817	0.4
81.03419	15.7
81.07059	13.1
82.07382	0.4
83.01344	7.7
83.04982	9.8
83.08619	9.7
85.02905	7.4
85.06551	0.5
91.05479	11.3
93.07042	21.7
95.04971	5.7
95.08605	6.5
97.02350	0.5
97.02901	4.8
97.06528	3.8
97.10164	1.2
98.23462	0.6
99.04459	3.4
103.05457	0.7
105.04507	0.6
105.07035	8.4
107.04953	7.3
107.08597	11.4
108.04498	0.7
109.02879	4.3
109.06522	6.1
109.10158	1.6
111.04453	2.7
111.08077	1.3
115.05481	0.7
117.07021	7.2
119.08579	8.0
121.06498	3.2
121.10147	6.5
123.04431	0.7
123.08066	6.2
125.06012	2.3
125.09648	0.8
127.03925	6.7
129.06984	1.3
130.07846	1.7
131.08578	2.8
133.10129	1.4
135.08066	2.1
135.11697	10.5
136.12009	0.4
137.09627	1.6
139.07564	0.7
143.08542	0.8
145.04967	1.2
145.06445	0.9
145.10126	13.7
147.08051	2.3
149.09601	0.7
153.12746	2.6
155.08557	1.8
163.11185	26.0
164.11505	0.7
165.09171	0.5
173.09627	3.9
181.12212	3.5
191.10712	3.7
209.11726	16.1
227.12770	12.5
227.15039	0.4
281.13770	0.7
283.15399	100.0
284.15747	5.0
311.14908	1.1
346.74289	0.3
353.15961	11.7
371.17062	2.1
372.17078	0.4
491.26404	40.5
492.26575	3.1
564.07245	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	1.1
67.05500	13.9
69.03418	2.6
69.07072	6.7
71.01345	2.2
71.04989	1.7
71.08631	16.2
73.02911	2.8
79.05489	8.4
81.03403	3.1
81.07049	17.4
82.07440	0.6
83.04959	3.2
83.08618	13.6
85.02415	1.1
85.02895	9.9
85.06532	1.3
85.10183	10.9
86.09705	0.8
87.08067	0.8
89.06010	1.0
90.38268	0.6
91.03951	7.1
91.05479	12.7
93.07037	10.2
95.04957	2.3
95.08606	16.7
97.02888	7.9
97.06519	2.9
97.10184	4.8
99.00811	12.5
101.06039	0.7
103.05418	0.9
103.07574	1.2
105.07032	10.7
107.04917	4.1
107.08595	5.9
109.02873	6.6
109.06504	1.7
109.09451	0.9
109.10152	10.9
109.97632	0.7
111.04453	1.2
111.08080	3.3
111.11679	0.7
112.92139	0.8
115.03926	2.2
117.07008	2.2
119.08574	4.4
121.06505	4.7
121.10160	0.9
123.04467	1.1
123.11711	3.1
127.03910	3.0
128.06210	1.2
131.08559	1.3
133.06464	1.6
133.10127	19.7
135.08063	1.5
137.05946	0.9
137.09636	1.1
139.07538	2.1
143.08554	3.1
145.04965	2.1
145.06448	1.3
151.11176	6.9
161.09616	11.1
162.09836	1.1
163.06026	3.2
163.11185	1.0
171.08055	2.5
179.10649	5.8
184.07327	1.9
189.09093	5.9
197.11739	1.7
207.10188	1.8
225.11166	6.7
226.11623	0.7
239.23692	2.3
243.12308	2.0
257.24805	1.5
281.13797	4.2
283.15408	1.2
299.14883	78.9
300.15317	3.3
313.27341	100.0
314.27747	6.0
424.43594	0.7
493.08716	0.9
493.19077	0.8
495.55151	0.7
519.36707	0.9
537.37848	87.5
538.38098	9.2
622.27472	1.1
896.45459	3.0
901.10297	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03917	0.6
67.05505	13.0
69.03439	2.7
69.07072	8.0
69.11831	1.3
69.12241	2.8
71.01313	1.3
71.04981	0.9
71.08633	22.7
72.08945	0.6
73.02922	2.7
79.05497	5.4
81.03431	2.4
81.07058	22.9
82.07383	0.5
83.04948	2.0
83.08617	16.1
85.02436	0.6
85.02905	9.5
85.06503	1.4
85.10181	14.7
87.04427	0.6
89.05995	1.3
91.03951	5.7
91.05476	12.8
93.07050	9.7
95.04975	3.1
95.08607	19.2
96.08897	0.6
97.02892	9.5
97.06532	2.2
97.10162	4.4
98.23368	0.9
99.00819	11.6
99.04440	0.9
99.08090	0.7
99.11699	1.2
103.05446	0.9
103.07539	0.9
105.06389	0.7
105.07029	9.4
107.04955	4.6
107.08585	4.7
109.02237	0.6
109.02882	7.7
109.06482	1.8
109.09487	0.8
109.10155	9.8
111.04395	1.3
111.08092	2.4
111.11693	0.7
115.03921	2.6
117.07009	2.2
119.08582	6.8
121.06506	5.7
121.10124	0.9
123.04424	1.1
123.08055	0.9
123.11710	4.8
127.03898	4.2
128.06209	0.6
131.08508	1.2
133.06451	1.4
133.10127	28.0
134.10452	1.3
135.08009	0.7
137.05949	1.2
137.09552	0.9
137.13206	1.6
139.07536	2.9
143.08537	3.4
145.04926	2.8
145.06430	0.6
145.10081	0.6
147.04156	0.5
147.08034	0.7
151.10100	0.8
151.11180	9.3
161.09627	16.9
162.09944	0.6
163.06024	2.8
165.09079	0.5
171.08032	2.6
179.09067	0.5
179.10666	9.3
189.09119	7.0
197.11780	3.0
207.10126	2.5
210.36072	0.4
222.65111	0.5
225.11209	9.6
239.23663	2.0
243.12360	2.4
257.24792	3.1
281.13849	3.4
299.14893	75.7
300.15256	3.9
313.27356	100.0
314.27652	5.6
338.63611	0.5
350.99344	0.5
532.06726	0.5
537.37866	86.9
538.38226	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	898.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	1.6
67.05505	25.1
69.03430	9.6
69.07069	7.1
69.24943	1.3
69.25351	3.6
71.01340	1.0
71.04990	6.9
73.02905	0.9
79.05491	38.5
80.05824	1.0
81.03415	58.1
81.07053	33.7
82.03758	0.8
83.01338	12.7
83.04484	1.2
83.04980	24.8
83.08617	24.9
84.63741	0.6
85.02899	18.5
85.06526	1.8
91.05478	38.6
93.07040	39.5
94.07371	0.8
95.04964	22.8
95.08607	12.8
97.02892	10.5
97.06523	7.9
97.10158	3.2
98.23354	0.7
99.04462	5.1
99.08101	0.7
103.05453	0.7
105.04494	1.2
105.07032	23.9
107.04951	16.9
107.05494	0.4
107.08591	17.7
108.04481	1.0
109.02871	8.2
109.06510	10.7
109.10138	3.0
111.04459	4.8
111.08074	7.6
113.06016	1.3
115.05420	1.5
117.07013	10.7
119.08575	21.4
121.06523	5.0
121.10142	11.4
123.04476	1.0
123.08072	9.7
123.11707	1.1
125.05979	2.1
125.09599	2.8
127.03909	14.2
128.06149	0.8
129.06996	10.7
130.07765	1.9
131.04842	0.9
131.08563	11.6
133.06445	1.6
133.10124	10.4
135.04372	0.7
135.08031	2.6
135.11684	13.4
135.51959	0.6
137.09592	2.4
139.07570	0.9
142.07780	2.4
143.08537	0.7
145.04941	1.5
145.06467	1.9
145.10121	18.9
145.11256	1.2
147.08020	4.4
147.11682	10.8
149.09639	5.3
153.12720	2.4
155.08546	2.3
157.10135	8.7
161.09613	0.7
163.11179	32.9
164.11504	1.0
165.12772	2.4
173.06003	0.6
173.09621	4.4
175.11174	9.7
181.12204	3.8
191.10638	5.1
193.12236	38.2
194.12613	1.5
209.11723	17.8
211.13284	70.7
212.13640	2.0
227.12782	17.2
228.13255	1.0
253.14505	1.0
267.15900	11.7
267.18692	0.5
283.15387	100.0
284.15704	4.0
285.16965	33.4
286.17310	2.1
299.14844	0.8
301.14420	1.0
306.74130	0.8
319.15298	0.9
337.16470	2.1
353.15936	12.8
354.16470	1.0
355.17633	3.5
371.16989	3.1
383.22147	1.5
457.25659	3.1
475.26843	13.4
475.33005	1.2
491.26401	20.1
492.26486	1.8
493.27951	68.3
494.28256	5.7
700.63690	0.8
898.46478	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.536
Annotation	Unknow
Peak:m/z	Relative Intensity
64.25706	1.2
67.05508	29.8
69.03424	3.7
69.07070	13.1
71.01363	3.2
71.04991	3.1
71.08635	29.5
73.02921	3.5
77.04414	0.8
77.89430	1.0
79.05495	20.9
81.03420	19.4
81.07062	30.2
83.01356	3.2
83.04984	14.0
83.08620	17.0
85.02907	19.3
85.06547	2.4
85.10185	18.2
86.26115	0.9
89.06019	2.3
91.03960	8.8
91.05480	10.0
93.07043	22.3
95.04962	6.2
95.08607	29.4
97.02886	13.7
97.06538	6.3
97.10169	6.1
99.04453	2.4
99.11741	1.2
103.07553	1.0
105.07024	5.1
107.04968	14.3
107.08600	12.5
109.02883	1.7
109.06519	4.3
109.10159	16.9
111.04432	10.7
111.08084	3.3
111.11710	1.4
113.06060	1.2
117.07005	7.4
119.08566	10.2
121.06535	2.5
121.10165	10.5
123.08068	4.9
123.11682	6.0
125.06022	1.4
125.09628	1.4
127.03910	2.2
129.07021	2.0
130.07764	1.1
131.04927	1.5
131.08553	4.9
133.10179	2.1
135.08038	2.3
135.11699	17.9
137.09641	1.8
145.04964	2.5
145.10129	16.6
147.08069	2.7
149.09612	1.7
153.12747	13.9
163.06076	1.6
163.11185	29.7
173.09587	6.1
181.12244	11.0
191.10651	11.5
209.11720	18.2
223.54034	0.9
227.12761	13.5
227.14786	1.3
239.23730	3.7
254.54120	1.1
257.24915	2.2
265.14362	13.6
283.15405	42.2
284.15723	2.0
301.16446	42.2
302.16809	2.1
313.27362	100.0
314.27713	4.7
445.20380	1.4
479.37036	1.2
503.37286	11.5
504.37369	1.8
521.38385	59.2
522.38678	6.4
539.39459	95.0
540.39722	7.4
683.43182	2.0
899.44031	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	898.5366
Annotation	Unknow
Peak:m/z	Relative Intensity
62.86019	0.7
65.03928	1.1
65.51839	0.6
67.05509	18.2
69.03398	2.1
69.07072	8.8
69.74280	2.4
71.04967	1.8
71.08633	20.0
73.02917	2.7
73.81573	0.5
79.05083	0.8
79.05494	12.6
81.03416	4.2
81.07058	20.4
83.01321	0.9
83.04985	8.6
83.08625	10.8
85.02913	10.5
85.06511	1.4
85.10191	12.0
89.05982	1.5
91.03954	6.1
91.05486	9.2
93.07045	15.3
95.04967	6.2
95.08608	19.6
96.08942	0.7
97.02892	8.9
97.06535	3.3
97.10171	5.1
99.04449	3.1
99.08097	0.7
99.11682	0.9
103.07578	1.0
105.07034	4.4
107.04967	6.3
107.08594	7.8
109.02882	1.6
109.06479	1.6
109.10158	9.2
111.04443	9.5
111.08076	1.7
111.11719	1.0
113.05975	0.8
117.06314	0.6
117.07018	6.6
119.07931	0.6
119.08601	5.7
121.06534	2.7
121.10155	7.7
123.04409	1.7
123.08066	1.4
123.11730	3.1
125.05948	1.3
125.09611	0.6
125.13276	0.6
127.03922	2.8
129.06972	1.3
130.07765	1.1
131.08574	4.1
133.10109	2.0
135.08041	1.3
135.11710	9.2
137.09587	1.3
137.13245	1.4
145.05020	2.6
145.06482	1.1
145.10136	9.6
146.10510	0.7
147.08116	2.7
149.06058	0.5
149.09578	2.5
153.12653	0.7
155.08525	1.6
163.06023	4.8
163.11195	12.6
173.09648	5.1
181.12196	1.5
184.07359	1.2
191.10687	6.1
209.11737	22.3
210.12189	0.9
227.12825	4.9
239.23767	2.2
245.13910	0.6
255.15903	2.2
257.24802	1.9
265.14346	2.2
283.15405	83.5
284.15784	3.9
299.14639	0.7
299.25894	0.9
300.15454	0.9
301.16409	5.4
313.27365	87.9
314.27774	5.9
328.28720	0.6
341.27341	0.6
521.38391	100.0
522.38733	8.1
537.37695	0.6
539.39386	12.8
540.40131	0.8
814.30725	0.6
898.48145	0.6
899.44391	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
64.95546	0.5
65.03934	0.5
67.05498	1.9
68.57226	0.4
69.03433	6.9
70.03724	0.4
71.04993	1.1
71.28722	0.6
73.02902	0.7
79.05490	2.8
80.05008	1.3
81.03414	3.7
81.05784	0.9
82.06594	1.1
83.04987	5.0
84.05277	0.5
85.02900	3.8
85.06554	1.0
86.03233	0.5
91.05478	4.6
93.05781	0.5
93.07043	7.0
94.06569	7.4
95.04977	1.2
95.06822	0.6
95.07359	6.4
96.07555	0.8
96.08132	11.0
97.02892	4.0
97.06512	2.9
99.04466	2.4
100.04834	0.5
103.05462	1.2
105.04510	0.4
105.05753	0.5
105.07030	0.6
106.06556	1.8
107.04958	0.7
107.07342	3.6
108.08127	11.4
109.02883	1.9
109.08923	0.9
110.06013	0.8
110.09681	21.7
111.04464	0.7
111.10048	0.5
118.06541	0.7
119.04976	2.7
120.08109	21.9
121.06522	1.0
121.08957	2.1
122.06038	4.8
122.09671	25.6
122.24493	0.5
123.06773	0.6
123.10004	0.7
124.07568	0.6
127.03909	4.3
128.04259	0.8
129.06985	0.6
130.06596	0.8
131.07301	1.9
134.09650	2.2
134.12874	0.4
136.07570	5.1
138.09140	100.0
139.09494	2.6
140.10777	0.6
144.08145	0.8
145.04977	2.0
146.06113	0.5
146.09633	3.0
147.04408	10.6
148.04732	2.3
148.07521	0.8
150.09212	0.9
152.07018	1.2
152.10800	0.6
162.05547	0.8
163.03918	1.5
164.07062	9.1
164.10786	0.6
165.07506	0.5
165.64299	0.5
166.08653	9.4
170.36523	0.4
174.09143	9.4
177.06613	1.7
178.08682	0.6
180.10155	2.5
181.09702	3.3
182.08154	2.3
184.23488	0.5
187.08659	0.7
188.07147	0.8
190.08612	1.0
191.08209	4.0
192.10197	3.4
200.07065	0.7
201.06615	0.6
202.07228	1.5
202.08679	2.0
203.08209	1.8
204.06557	0.6
206.08200	0.5
213.09050	0.7
216.10335	0.6
217.09755	4.9
218.08141	1.4
219.11279	0.6
220.09654	0.8
227.11824	0.5
229.06052	0.7
230.08192	3.4
231.07870	0.6
231.11275	0.7
233.09290	1.1
236.09172	9.4
237.09232	0.6
241.09737	0.6
243.05099	0.7
243.07593	1.0
243.11191	1.2
244.09720	0.7
245.09192	2.9
246.07591	0.9
248.09149	1.0
257.09177	2.1
259.07025	0.8
259.10306	1.0
261.08698	28.4
261.40430	0.4
262.08936	1.0
263.10315	2.0
265.08704	0.7
265.11707	0.5
266.12000	0.4
269.09225	1.7
271.07162	0.6
272.09167	1.7
273.08774	0.5
285.08698	1.5
286.95593	0.5
287.10269	5.4
289.08527	0.7
289.11768	1.3
299.10190	0.6
305.07709	3.5
305.11334	1.3
307.12839	1.4
309.09671	1.1
313.08194	3.4
315.09537	0.8
329.11340	1.1
329.15018	1.0
331.09375	1.0
333.10977	0.8
340.12973	0.7
346.11942	0.5
350.12164	0.6
360.13153	0.6
360.17136	0.7
361.14301	0.5
362.18356	0.9
363.16953	0.8
365.14621	0.6
373.14771	0.5
375.15909	0.5
386.14542	3.8
388.16528	1.7
398.17026	3.7
404.15738	1.5
405.10367	1.1
406.10843	0.7
406.17563	4.6
407.17593	0.5
416.17776	0.7
422.15314	0.7
424.18829	0.9
432.15424	1.0
434.17484	2.2
450.16470	1.8
452.18192	12.1
453.18262	1.2
455.13260	1.0
456.13055	0.5
468.17566	2.4
470.12854	0.8
470.19223	13.2
471.19424	0.9
478.15845	1.3
496.17154	3.7
571.25397	4.3
589.26581	33.2
590.26807	4.0
597.23242	1.7
607.27570	12.7
608.28040	1.2
615.24457	14.6
616.24664	1.8
633.25525	11.8
634.25763	1.3
899.29944	0.6
906.52203	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	0.8
69.03417	1.2
73.02917	0.3
79.05493	1.4
80.05022	1.4
81.03406	1.5
81.05792	0.6
81.07067	0.4
82.06581	1.2
83.04970	1.5
85.02890	1.4
87.00816	0.3
91.05482	2.1
93.05785	0.3
93.07036	5.2
94.06567	6.8
95.04961	1.0
95.06817	0.5
95.07358	5.5
95.08590	0.4
96.08131	9.7
97.02864	0.9
97.06519	1.3
103.05472	0.9
105.01867	0.3
105.05781	0.3
105.07030	0.5
106.06568	2.0
107.07335	3.3
108.08121	8.3
109.00901	0.3
109.02891	0.5
109.08929	0.8
110.09678	18.1
111.09974	0.5
112.31244	0.3
117.16533	0.3
118.06551	0.7
119.04932	0.6
120.08105	17.4
121.06499	0.5
121.08882	1.4
122.06023	2.6
122.09665	20.4
123.06774	0.8
127.03925	0.8
134.06017	0.5
134.09698	0.7
136.07568	2.9
138.09137	100.0
139.09477	2.6
140.07126	0.5
146.09654	0.6
147.04408	3.8
148.04720	0.4
148.07576	0.6
150.09157	0.5
152.07103	0.5
160.07588	0.7
162.05533	0.7
162.09151	0.3
163.03882	0.7
164.07072	6.8
165.05380	0.3
166.08635	4.4
174.09138	1.7
177.06593	1.0
178.08665	1.0
180.06638	0.4
180.10161	1.6
181.09712	3.0
182.08107	0.5
188.07085	0.8
191.08156	3.2
202.08670	2.3
203.08212	1.1
214.08504	0.5
217.09741	1.0
218.08023	0.3
219.11360	0.7
230.08104	3.3
236.09137	0.6
243.11299	0.7
244.09613	0.6
245.09169	1.9
248.09171	1.4
261.08734	1.5
263.10260	1.5
272.09250	0.8
287.10114	1.6
289.11832	1.0
305.11261	1.0
307.12943	2.0
309.09799	0.4
310.09506	0.3
329.15460	0.3
330.15759	0.3
333.11023	0.5
342.15353	0.4
350.12122	0.5
368.13403	0.4
386.14423	7.2
387.14606	0.4
398.16904	0.4
406.17776	1.0
411.15500	0.4
421.14529	0.4
424.18610	0.6
426.20084	0.4
452.18155	3.8
468.17627	0.5
470.19229	12.1
471.19217	0.9
496.17288	0.4
514.19788	0.4
571.25464	2.8
589.26575	14.2
590.27289	1.6
597.23163	0.5
607.27643	7.6
608.28046	0.7
615.24396	8.0
616.24591	0.8
624.57605	0.3
633.25360	4.4
633.93518	0.4
634.25427	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	1.1
69.03431	1.7
69.20602	2.3
79.05491	1.4
80.04996	1.1
81.03407	0.9
81.05791	0.8
81.07040	0.4
82.06585	1.0
83.04969	0.7
85.02907	0.9
87.00850	0.4
90.68747	0.3
91.05476	2.5
93.05795	0.4
93.07042	5.1
94.06566	6.2
95.04974	0.8
95.07349	5.1
95.08611	0.6
96.08129	10.1
97.02899	0.5
97.06541	1.5
98.23405	0.6
99.04494	0.4
103.05453	1.0
105.05800	0.4
105.07032	0.6
106.06529	1.5
107.07318	3.4
108.08114	9.8
109.02851	0.7
109.08875	0.9
110.06010	0.4
110.09677	19.4
111.10014	0.3
118.06488	0.6
119.04935	0.7
120.08104	16.0
121.06489	0.6
121.08960	1.6
122.06036	3.3
122.09667	19.0
123.06779	1.0
123.09996	0.6
124.07616	0.4
127.03893	1.0
134.09662	0.8
136.07568	3.2
138.09134	100.0
139.09483	2.9
140.07051	0.3
142.46330	0.3
146.09578	0.8
147.04420	3.7
148.04778	0.7
148.07568	0.5
150.09172	0.4
152.07076	0.6
152.10652	0.5
159.02812	0.3
160.07547	0.5
162.05511	1.1
163.03905	1.0
164.07071	7.4
165.07642	0.5
166.08635	4.1
174.09137	1.8
177.06586	0.9
178.08638	1.0
180.10188	1.7
181.09688	3.4
182.08136	1.1
188.07109	0.7
188.10773	0.3
191.08154	3.2
192.10176	0.5
202.08632	2.7
203.08186	1.0
204.06564	0.4
217.09732	1.4
219.11218	0.5
220.09698	0.4
228.10172	0.4
229.06076	0.6
230.08093	2.5
236.09207	1.1
244.09727	0.4
245.09290	1.7
247.10902	0.5
248.09186	1.3
257.09158	0.4
259.09875	0.4
261.08752	1.7
261.12100	0.3
263.10178	1.5
272.09210	1.0
277.12009	0.4
285.12396	0.6
287.10318	2.1
289.11829	1.2
290.09955	0.4
305.11246	1.0
307.12842	2.1
333.10907	0.6
342.15625	0.6
350.12360	0.4
380.19626	0.4
386.14493	7.0
398.16943	0.8
406.17590	0.7
424.18402	0.4
426.20328	0.7
450.16672	0.4
452.18271	4.2
470.19208	11.6
471.19339	0.6
496.16922	0.5
561.53625	0.3
571.25439	2.6
572.25494	0.4
589.26508	14.7
590.26593	1.7
597.22900	0.4
607.27625	8.0
608.27649	0.8
615.24390	5.9
616.24390	0.6
633.25635	4.5
634.25574	0.7
634.88843	0.3
780.54224	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4966
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	2.0
69.03426	3.8
69.07068	1.4
71.05020	0.5
71.08651	1.7
71.29264	0.5
73.02914	4.2
76.32867	0.4
79.05505	1.5
81.03424	2.1
81.07062	2.5
83.08636	1.3
85.02905	7.6
85.03377	0.6
85.10181	1.3
91.03956	4.9
91.05508	1.2
91.37009	0.4
93.07063	0.8
95.05002	1.1
95.08607	2.3
97.02894	5.9
97.06557	0.6
97.10189	0.9
99.04494	0.9
101.02350	2.4
105.07029	0.5
109.02908	1.2
109.10179	1.1
115.03953	0.7
127.03932	2.1
145.04932	0.5
145.10118	0.4
160.42863	0.4
166.13576	0.4
184.07365	0.5
185.04298	1.1
203.05319	0.9
209.11833	0.5
223.13365	0.6
227.13045	0.5
228.38091	0.4
243.08510	2.0
313.27560	1.9
314.27744	0.7
340.34460	0.4
347.09656	1.8
363.08981	0.6
365.10681	1.2
405.13712	4.6
481.20422	3.3
497.30704	4.0
521.39001	0.5
521.89441	0.5
522.39203	0.9
544.39874	0.4
643.25519	2.2
644.26337	0.6
659.36029	7.0
660.36572	0.6
664.98438	0.5
682.94336	0.5
737.44958	1.3
767.81696	0.5
899.49646	100.0
900.50073	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	900.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03956	1.8
66.19054	1.3
67.05142	1.9
67.05500	30.5
69.02561	15.5
69.03411	3.4
69.07068	9.7
71.04997	2.0
71.08630	5.8
75.47285	1.7
79.05494	39.8
81.03416	5.1
81.07055	36.1
83.04969	5.9
83.08624	5.9
85.02921	5.2
85.10205	1.9
91.03940	1.8
91.05476	28.7
93.07042	35.1
95.04966	7.0
95.08607	26.0
96.08952	1.4
97.02890	2.3
97.06540	2.8
97.10199	3.2
99.72964	1.7
105.07045	16.4
107.04939	3.9
107.08582	12.4
109.06543	2.7
109.10175	10.2
111.08119	2.2
117.07008	6.5
117.81989	1.4
119.08578	8.9
121.10134	9.8
123.08083	3.6
123.11687	2.8
127.65567	1.6
128.06174	1.7
129.07004	5.3
131.08553	6.2
133.10106	8.5
135.11682	4.8
143.08551	3.5
145.10126	6.2
147.11685	11.7
149.13234	2.8
159.11702	2.1
161.13211	4.1
171.11674	8.3
173.13185	1.9
181.12306	1.8
184.07338	3.7
189.12721	1.8
205.47772	1.7
207.13773	7.6
225.51427	1.6
236.14920	1.8
261.22012	3.7
267.15842	2.0
281.17450	23.2
283.15396	3.4
284.15735	4.0
313.27310	7.9
314.27759	5.7
335.25763	40.0
353.50797	1.5
390.05942	1.4
405.13724	1.5
430.63846	1.7
521.38354	1.9
522.38672	4.0
523.38947	8.5
541.38855	100.0
542.39319	10.3
900.44464	9.9
901.46771	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5523
Annotation	Unknow
Peak:m/z	Relative Intensity
66.53836	1.3
67.05506	18.0
69.03412	2.9
69.07063	8.3
71.04993	1.2
71.08629	20.6
73.02906	2.4
79.05489	11.6
81.03420	52.3
81.07059	18.3
82.03784	1.2
82.56098	1.1
83.04992	3.5
83.08616	16.1
85.02904	8.1
85.10181	13.9
85.76579	1.0
89.06065	2.2
91.03964	4.5
91.05480	12.4
92.03821	1.3
93.07035	8.2
95.04968	14.6
95.08599	19.7
96.16676	1.2
96.82084	1.2
97.02915	4.8
97.10168	6.1
103.07571	1.4
105.07029	8.6
107.04957	4.7
107.08588	4.1
109.06520	2.8
109.10152	11.2
111.04469	2.7
111.08086	2.8
111.11686	1.4
112.73314	1.5
115.05456	1.7
116.81078	1.2
117.07048	2.4
119.08598	8.2
121.06536	1.4
121.10165	3.5
123.04401	1.7
123.08108	1.6
123.11729	2.6
127.03912	2.1
129.07024	5.0
131.08571	5.8
133.06514	2.1
133.10149	3.0
135.11725	1.5
136.06134	1.5
142.07726	1.6
145.10159	3.9
147.08072	1.4
147.11693	5.1
149.09615	3.3
150.50583	1.3
157.10062	7.0
163.06020	2.4
163.11214	2.4
175.11195	7.1
184.07364	5.5
193.12253	24.3
196.29483	1.4
196.54004	1.2
209.11819	1.7
227.12766	1.6
249.14696	1.3
257.24841	2.2
259.13275	2.1
267.15915	68.8
268.16336	3.2
283.15396	2.7
284.15723	1.5
301.14236	1.5
309.16992	2.6
312.35101	1.2
313.27359	100.0
314.27698	9.3
315.27908	2.2
316.84906	1.3
408.18466	1.2
431.35654	1.5
496.27921	1.4
505.38861	71.8
506.39285	6.2
523.39130	5.0
533.86041	1.2
547.40173	6.8
601.40796	2.6
613.40845	2.9
631.42090	2.0
659.36542	2.0
900.45538	4.7
901.47473	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
66.88811	0.4
67.05505	3.7
69.03436	0.9
69.07063	0.6
70.54501	0.8
70.54839	0.4
71.04998	0.7
79.05492	5.2
81.03416	3.4
81.07044	3.5
83.01361	2.2
83.04983	2.7
83.08610	2.1
85.02882	2.0
87.04522	0.4
91.05484	3.7
93.07048	6.1
95.04978	1.6
95.08595	1.9
97.02902	1.3
97.06552	1.0
99.04465	0.8
103.05458	0.6
105.07024	2.7
107.04971	2.2
107.08614	2.7
109.02893	0.8
109.06505	1.8
109.10146	0.7
111.04453	0.5
111.08137	0.5
117.07048	1.7
119.08582	2.1
121.06522	0.9
121.10154	1.8
123.08099	1.7
127.03918	0.5
129.06998	0.6
130.07870	0.4
131.08640	0.8
132.91707	0.4
135.08052	0.5
135.11688	2.9
137.09633	0.6
145.10120	4.5
147.08115	0.7
163.11201	5.8
163.12476	0.5
173.09737	0.5
181.12259	0.7
195.30725	0.4
209.11766	1.1
249.11040	1.0
309.86880	0.4
323.92911	0.4
377.83453	0.4
393.15182	1.0
411.16360	0.6
451.19507	1.8
675.29852	12.7
676.30286	1.2
901.41827	100.0
902.42102	20.6
929.95703	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
66.73814	0.4
67.05500	5.2
69.03424	1.8
69.07069	1.1
71.01353	0.4
71.04987	1.4
71.29040	0.5
79.05492	6.1
80.05795	0.5
81.03411	5.5
81.07043	5.3
83.01362	1.7
83.04974	3.1
83.08624	2.6
83.62695	0.3
85.02921	2.0
85.98238	0.4
86.09750	0.4
91.05470	4.9
93.07038	7.2
94.07391	0.4
95.04980	2.6
95.08619	2.3
97.02916	1.4
97.06551	1.6
97.10189	0.6
99.04482	1.2
105.07018	3.7
107.04950	2.4
107.08576	3.6
109.02929	1.1
109.06533	1.8
109.10175	1.2
111.04478	0.6
111.08105	0.7
117.07030	2.3
119.08571	3.6
121.06526	0.8
121.10114	2.4
123.08096	2.2
127.03960	0.9
129.07014	0.6
130.07721	0.5
131.08578	1.1
133.10132	0.8
135.08090	1.3
135.11682	3.0
137.09645	0.6
139.07510	0.4
143.08575	0.8
145.10112	5.5
145.11121	0.5
147.08070	0.7
153.12752	0.6
155.08540	0.5
163.11182	6.4
173.09599	0.8
174.03886	0.4
178.70543	0.4
181.12300	0.4
184.07387	0.8
191.10735	0.5
209.11838	1.1
227.12863	0.7
248.20715	0.3
283.15533	0.8
341.93118	0.4
401.01688	0.4
451.19406	2.1
452.19553	0.4
624.06885	0.5
675.29791	11.9
675.40686	0.8
676.30414	1.0
693.23499	0.4
841.31848	0.5
901.41785	100.0
902.42151	15.0
902.81573	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4551
Annotation	Unknow
Peak:m/z	Relative Intensity
62.71153	0.3
67.05513	0.9
69.26832	2.4
70.52911	0.3
81.07088	0.6
86.09682	0.3
88.12280	0.4
93.07081	0.4
106.26757	0.3
156.61714	0.4
163.97607	0.3
184.07423	0.5
196.83493	0.4
233.49524	0.4
233.52209	0.4
314.27762	0.4
491.44370	0.3
645.21814	0.4
675.33771	1.1
785.11298	0.3
899.75195	0.4
901.45569	100.0
902.45850	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	901.4756
Annotation	Unknow
Peak:m/z	Relative Intensity
65.66180	0.2
67.05505	1.4
69.03432	3.2
69.04202	1.5
69.04603	0.5
69.07079	0.5
71.01379	0.5
71.05000	0.4
71.08632	2.0
73.02917	3.5
79.05499	0.5
81.03409	1.9
81.07035	1.9
83.04999	0.3
83.08615	1.1
85.02903	5.9
85.10191	1.1
87.04495	0.3
91.03957	3.5
91.05491	1.0
93.07064	0.8
95.04980	0.4
95.08608	1.6
97.02885	5.4
97.10184	0.7
99.00809	0.3
99.04478	0.9
101.02412	1.6
103.03926	0.3
105.07045	0.4
107.08595	0.3
109.02875	1.2
109.10114	1.0
115.03955	0.5
117.07025	0.2
119.08616	0.3
123.11728	0.4
127.03893	1.7
129.05579	0.3
133.10152	0.6
136.13382	0.2
142.44844	0.2
143.47743	0.3
145.04974	0.6
150.65154	0.3
151.11250	0.3
161.09654	0.3
179.10706	0.4
185.04279	1.0
203.05206	0.5
226.66139	0.3
239.23717	0.5
243.08405	1.5
265.10617	0.5
283.10376	0.2
283.15424	0.5
313.27377	1.6
314.27817	0.5
335.26025	0.4
341.98224	0.2
347.09409	1.8
365.10812	0.9
405.13647	3.1
414.64105	0.2
483.18335	3.2
497.30795	5.0
524.39661	0.3
543.36621	0.3
645.23596	2.5
659.36047	6.8
659.46576	0.4
660.36438	0.8
739.41754	2.0
740.43268	0.3
901.47559	100.0
902.47906	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	902.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
63.42382	0.7
65.03944	3.5
66.42661	0.8
67.05506	53.0
69.03435	4.8
69.07070	13.8
71.01334	1.1
71.04990	5.4
73.02903	4.6
79.05493	51.1
80.05852	1.3
81.03420	12.0
81.07058	58.9
82.07364	1.1
83.01350	7.9
83.04980	12.8
83.08621	15.5
85.02904	20.6
85.06531	1.9
90.84473	0.8
91.03949	11.9
91.04448	0.9
91.05478	28.8
93.07043	58.8
94.07391	1.3
95.04970	9.2
95.08605	41.1
96.08958	0.9
97.02890	11.4
97.06519	6.2
97.10177	5.7
98.23407	1.4
99.04453	3.7
99.08073	1.5
103.05480	1.2
105.04539	0.7
105.07027	20.1
107.04958	8.3
107.07870	1.9
107.08593	32.1
109.02907	1.0
109.06514	6.0
109.07181	0.9
109.10158	17.4
111.04452	2.2
111.08088	2.6
115.03937	1.6
117.07017	13.5
119.08578	17.5
121.06533	2.4
121.10139	23.9
121.11015	1.3
122.10507	0.8
123.08073	7.7
123.11703	4.6
125.06004	1.6
125.09622	3.9
127.03902	4.1
129.06989	2.0
130.07771	2.6
131.08562	12.4
131.09343	1.0
133.10133	9.6
135.08073	2.9
135.11685	19.9
137.09619	3.1
137.13255	1.7
139.07584	1.1
143.08531	2.0
144.06494	0.8
145.04939	5.1
145.10115	21.9
147.08099	1.8
147.11693	6.5
149.09671	1.6
149.13255	6.8
151.14838	1.0
153.12781	2.7
155.08664	1.2
157.10120	0.9
159.11687	6.8
161.13274	5.2
163.05998	5.2
163.11177	24.0
163.14841	3.5
171.11694	1.2
173.09622	4.1
173.13210	6.8
175.14818	2.7
177.16426	1.6
181.12268	3.6
185.13347	1.1
187.14801	3.9
189.11212	2.2
191.10686	3.3
191.25900	0.9
193.12270	1.4
209.11726	8.2
211.13274	2.5
215.17960	0.9
221.11078	0.8
227.12785	9.3
233.22701	1.5
241.19574	0.9
243.21065	5.9
259.20535	1.8
261.22144	20.9
262.22409	1.4
267.15970	2.5
277.21689	1.0
283.15393	97.1
284.15759	3.9
285.17023	1.0
299.23749	5.9
317.24738	7.3
324.76053	0.9
333.24225	2.2
335.25800	100.0
336.26089	6.8
358.87006	0.8
433.30951	2.6
451.32120	3.9
469.32965	3.6
487.34494	1.7
515.37103	1.0
525.35712	5.9
526.35486	1.4
543.36798	85.7
544.37134	9.3
561.37762	5.0
646.89929	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.6
67.05507	31.7
69.03424	3.2
69.07066	7.9
69.16328	2.8
69.16737	1.4
71.04999	3.8
71.08181	0.6
73.02921	4.2
77.03925	0.7
79.05496	31.2
81.03421	7.9
81.07059	37.7
82.01765	0.8
83.01344	6.1
83.04995	7.8
83.08620	10.7
85.02911	15.9
85.06555	1.0
91.03963	8.7
91.04893	0.9
91.05480	18.8
93.07046	39.0
94.07381	0.6
95.04980	6.4
95.08612	26.4
97.02898	9.1
97.06532	5.2
97.10191	3.3
98.23337	0.8
99.04457	2.9
99.08105	0.8
100.96854	0.7
105.04485	0.7
105.07041	12.9
107.04953	6.1
107.08601	22.3
109.06538	5.2
109.10154	11.9
111.04446	1.9
111.08080	2.4
115.05446	1.4
116.06160	0.7
117.07021	9.4
119.08581	11.7
121.06526	1.9
121.10147	14.7
122.10472	0.6
123.04436	0.8
123.08067	5.6
123.11717	4.5
125.06011	1.5
125.09601	4.3
127.03902	3.2
129.06996	2.5
130.07762	2.2
131.08582	8.4
133.10120	7.6
135.08072	1.2
135.11702	14.2
137.09641	1.8
137.13229	0.9
140.14346	0.6
143.08630	0.8
145.04970	4.9
145.10121	15.4
146.10455	0.9
147.08031	1.7
147.11693	4.5
149.09634	1.5
149.13249	4.3
153.12738	3.3
155.08530	1.3
157.10117	1.3
159.11723	5.4
161.13307	3.0
163.06026	6.3
163.11182	17.2
163.12508	1.3
163.14851	2.3
171.11719	1.0
173.09564	1.8
173.13242	4.5
175.14882	1.1
177.16382	1.7
181.12234	2.9
187.14835	2.2
189.11293	1.9
189.16425	0.7
191.10635	3.3
191.14265	0.8
193.12221	1.6
201.16333	0.8
209.11671	7.6
209.13338	0.7
211.13313	1.8
227.12778	10.9
231.21242	0.7
241.19438	0.9
243.21039	6.1
259.20535	1.6
261.19275	0.9
261.22137	17.7
262.22510	1.2
267.15933	2.5
277.21552	0.8
283.15408	100.0
284.15646	4.8
285.16772	0.9
299.23645	4.5
317.24750	4.2
333.24216	2.0
335.25821	67.3
336.26147	3.5
373.27151	0.7
433.31049	2.9
440.93149	0.7
451.32040	4.8
469.32977	2.4
469.72543	0.7
487.34106	1.4
516.27197	0.8
525.35699	5.7
543.36804	55.2
544.37103	5.1
553.70410	0.7
561.38068	4.1
892.13086	0.8
902.48608	1.2
903.48834	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	902.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	3.4
67.05511	66.6
69.03427	16.9
69.07076	18.5
70.33344	4.5
71.01382	2.6
71.04990	9.4
71.08621	2.6
73.02907	4.6
79.05497	63.8
81.03421	30.0
81.07059	71.3
83.01344	18.5
83.04994	19.2
83.08620	24.0
85.02914	25.3
85.06562	4.5
86.09746	2.1
91.03949	6.9
91.05482	43.5
91.06023	3.8
93.07047	73.5
95.04978	13.3
95.08050	3.6
95.08611	46.9
97.02907	17.9
97.06525	13.3
97.10173	4.9
99.04465	8.3
99.08088	3.0
105.04533	2.1
105.07044	32.8
106.57804	2.1
107.04970	16.4
107.08601	40.9
109.02870	10.5
109.06517	13.0
109.10162	25.0
109.59866	2.0
111.04453	6.0
111.08094	4.0
117.07009	20.0
119.08592	29.1
121.06519	5.4
121.10151	33.3
123.08065	16.0
123.11717	7.7
125.09641	5.5
127.03922	17.8
129.06963	3.3
131.08560	23.6
132.12305	2.1
133.10136	14.1
135.08051	4.8
135.11707	34.1
137.09621	2.8
137.13242	3.8
143.08563	3.4
145.04985	4.3
145.10115	39.9
147.08023	5.1
147.11697	10.0
149.09721	3.2
149.13264	10.5
153.12753	6.0
155.08545	2.5
157.10130	3.7
159.11719	8.8
161.13283	4.9
163.11183	49.5
163.14859	6.7
164.11540	2.9
171.11717	3.0
173.09653	9.1
173.13280	9.6
177.16441	2.8
181.12251	7.9
184.07301	5.0
185.13293	3.5
187.14815	4.5
191.10703	9.8
209.11725	32.1
227.12770	42.0
229.14232	3.0
243.21101	9.4
261.22153	30.0
275.19958	3.6
281.13889	2.4
283.15417	100.0
284.15695	4.9
335.25818	43.1
353.15970	43.5
353.26910	9.2
369.24448	4.7
371.16989	20.1
387.25287	3.5
405.13824	3.0
405.26743	3.7
525.35870	2.6
543.36847	28.3
544.37445	4.1
605.69598	2.9
902.47906	23.2
903.49701	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	903.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	0.8
71.27525	1.0
79.05506	1.1
94.18543	0.7
126.10712	0.7
163.11276	0.8
164.87405	0.6
188.69521	0.7
192.27370	0.6
369.85056	0.6
903.43427	100.0
904.43683	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	903.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	4.6
69.03436	1.3
69.07076	1.1
71.04992	1.0
71.29966	0.5
79.05492	6.5
81.03420	4.8
81.07056	4.9
83.01362	1.2
83.04971	2.7
83.08614	2.6
85.02908	3.3
91.05478	6.4
93.07047	5.8
95.04974	2.8
95.08602	2.6
97.02926	1.0
97.06547	1.4
97.10187	0.6
99.04516	0.5
105.07035	4.2
107.04968	1.8
107.08604	2.7
109.02879	1.0
109.06496	1.7
109.10170	1.0
111.04446	0.7
111.08105	0.9
117.06993	1.8
119.08556	2.8
121.06532	1.0
121.10169	1.8
123.08047	1.7
127.03946	1.1
129.06972	0.8
130.07820	0.4
131.08621	1.7
133.06555	0.5
133.10159	1.4
135.08092	0.4
135.11688	1.9
137.09641	0.6
143.08597	0.6
145.10114	3.0
147.08163	0.7
147.11726	1.2
149.09641	0.6
157.10187	0.6
163.11179	3.6
173.09621	0.5
175.11240	0.7
181.12167	0.5
193.12257	0.4
209.11707	0.7
249.11183	0.5
251.12605	0.5
283.15475	0.9
291.19751	0.4
338.81030	0.4
393.14841	0.4
411.16180	0.7
451.19727	0.9
453.20953	0.5
675.29938	3.5
677.31415	6.5
678.31573	0.4
903.43372	100.0
904.43726	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	903.4344
Annotation	Unknow
Peak:m/z	Relative Intensity
62.75485	0.6
70.90365	0.6
73.97157	0.6
79.05462	0.6
81.03410	0.9
83.04974	0.6
84.54148	0.6
109.02889	0.9
133.10130	0.8
229.42809	0.8
265.92599	0.7
337.27045	0.8
510.34036	0.7
903.43433	100.0
904.43958	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	903.4899
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	3.8
69.03437	3.2
69.05367	3.6
69.07085	1.5
70.79533	0.6
71.01347	0.8
71.04975	0.6
71.08636	2.3
73.02925	4.5
79.05502	3.2
81.03407	2.6
81.07051	4.3
83.08627	1.9
83.13088	0.4
85.02908	7.5
85.10193	0.9
87.04473	0.8
87.40140	0.5
91.03957	4.0
91.05522	1.8
91.42719	0.4
93.07059	2.6
95.08622	3.1
97.02892	6.0
97.10172	0.6
99.04476	0.7
101.02390	1.9
103.04025	0.5
105.07032	1.0
107.04962	0.6
107.08633	1.4
109.02863	1.1
109.06564	0.5
109.10193	1.5
117.07061	0.6
119.08653	0.9
121.10183	1.2
123.11722	0.6
127.03931	1.6
129.60039	0.5
133.10216	0.5
133.14612	0.5
135.11774	1.3
145.10182	1.0
163.11273	1.3
165.53857	0.4
181.12260	0.5
184.07314	0.7
185.04279	0.8
203.05330	0.8
209.11768	0.8
227.12730	0.8
239.23778	0.6
243.08513	2.1
259.08151	0.5
267.12149	1.3
283.15445	3.7
284.15842	1.5
313.27490	1.4
335.26016	1.6
336.26300	1.0
347.09512	2.1
365.10818	0.7
374.74893	0.6
405.13681	5.7
441.17447	1.9
485.20004	1.8
497.30661	5.7
543.37146	0.8
544.37170	1.4
545.38586	0.6
575.71973	0.5
603.22791	2.0
647.25287	1.5
659.36078	7.4
697.40582	0.5
723.42743	0.6
728.06622	0.6
741.43713	1.3
859.47101	2.3
885.47949	0.7
903.49152	100.0
904.49591	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	2.8
69.03425	4.4
69.07080	1.1
69.15978	2.0
71.01371	0.4
71.08628	2.0
73.02918	4.2
79.05508	1.3
81.03410	2.4
81.07067	2.8
83.04964	0.4
83.08638	1.3
85.02905	7.1
85.10209	1.1
87.04487	0.4
91.03953	4.2
91.05479	1.4
93.07037	1.9
95.08601	3.0
97.02900	7.4
97.06533	0.6
97.10203	0.5
98.22565	0.6
99.04476	1.4
101.02414	2.4
103.03956	0.6
105.07063	0.9
107.05009	0.5
107.08592	1.6
109.02910	0.9
109.10144	2.1
111.11703	0.3
115.03955	0.7
117.07025	0.5
119.08617	0.8
121.10147	0.7
127.03922	1.9
131.08551	0.7
135.11734	1.2
137.13274	0.4
142.16599	0.3
145.04976	0.7
145.10179	1.0
146.94374	0.3
163.11201	1.0
173.09561	0.4
184.07500	0.5
185.04250	0.9
191.10710	0.4
203.05353	0.8
243.08426	1.8
249.11049	0.6
259.08179	0.5
267.12152	0.5
283.15442	2.3
284.15747	0.6
313.27557	1.3
335.25790	0.8
336.26230	0.6
337.27405	0.7
347.09427	2.3
365.10651	0.9
405.13705	4.2
467.18857	3.8
468.19351	0.6
485.20206	0.9
497.30832	6.4
498.31223	0.6
543.37311	0.5
544.37463	0.8
545.38611	0.8
629.24304	1.8
647.25470	1.5
659.36188	7.9
660.36212	0.7
723.42944	1.5
741.43970	0.7
859.48877	0.7
885.48187	10.6
886.48828	1.8
903.49109	100.0
904.49432	13.4
933.51471	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.526
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.0
67.05503	41.2
67.97661	0.6
68.05849	0.7
69.03432	4.2
69.07069	10.4
71.04996	3.3
73.02917	2.8
77.03922	0.7
79.05492	33.9
80.05830	0.7
81.03415	38.8
81.07054	43.5
82.07391	0.7
83.04980	9.4
83.08616	15.4
85.02902	22.1
85.06555	2.8
91.03947	5.4
91.05479	27.2
92.05769	0.9
93.07038	34.5
94.07369	1.1
95.04968	16.1
95.08603	27.8
97.02891	6.9
97.06519	3.7
97.09628	0.6
97.10146	3.7
99.04437	0.9
99.08093	1.1
103.05454	0.9
105.04494	1.1
105.07027	21.7
106.07375	0.6
107.04949	5.3
107.08592	17.1
109.02863	0.6
109.06514	3.8
109.10153	10.2
111.04433	0.9
111.08062	5.3
113.05999	1.4
115.05433	1.4
117.07005	4.0
119.08578	17.5
121.06477	1.0
121.10136	14.9
123.08060	2.1
123.11682	3.4
125.09614	1.6
127.03946	2.0
129.06987	6.7
131.08559	13.9
131.09488	0.8
133.06488	1.9
133.10126	10.5
135.11688	7.4
137.09622	1.2
137.13213	1.3
141.08960	0.6
142.07764	2.2
143.08629	1.0
145.04947	2.2
145.10107	5.7
147.08012	1.5
147.11676	11.0
149.09576	4.0
149.13240	4.3
155.08600	0.9
157.10129	9.2
157.11287	0.9
159.11652	4.0
161.13280	2.4
163.06033	3.8
163.11200	1.3
163.14856	1.8
165.12781	2.5
171.11716	1.1
173.13264	2.6
175.11177	7.7
175.14838	0.9
175.66678	0.5
183.11652	0.7
184.07423	1.0
187.14792	1.2
193.12228	28.2
194.12668	1.2
199.14891	0.7
211.13286	39.4
212.13666	1.9
214.73167	0.6
224.14079	0.6
227.12743	0.8
243.21083	2.4
261.22128	10.0
267.15915	11.9
283.15781	0.9
285.16946	46.8
285.51852	0.7
286.17245	1.4
301.25259	1.7
317.24774	2.4
335.25787	71.7
336.26193	5.7
417.31839	0.8
435.32635	1.5
453.33694	2.3
471.34476	1.3
509.36102	0.9
527.37286	12.8
528.37970	0.8
545.38348	100.0
546.38635	10.7
904.49640	1.9
905.49725	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5255
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	3.3
67.05502	49.1
69.03431	5.6
69.07069	11.8
71.04998	5.1
73.02902	4.0
74.87289	1.0
79.05487	35.4
81.03414	52.0
81.07054	55.4
83.04990	11.6
83.08615	20.5
85.02903	33.2
85.06526	2.4
91.03952	8.9
91.04899	1.7
91.05476	36.2
93.07040	37.2
95.04962	21.5
95.08602	30.5
96.14843	1.1
97.02872	9.3
97.06495	5.5
97.10175	4.7
99.04465	1.5
99.08095	2.1
105.07025	25.2
107.04961	6.2
107.08588	17.0
109.06503	3.8
109.10151	12.8
111.04429	1.5
111.08076	9.0
113.06037	1.4
115.05432	1.3
117.07005	6.7
119.07786	1.7
119.08580	24.2
121.06516	1.0
121.10139	19.1
123.08045	2.9
123.11684	4.8
125.09585	2.1
127.03927	3.3
128.06177	1.1
129.07004	11.1
131.08560	12.9
133.06473	1.7
133.10141	12.2
135.11658	8.2
137.09653	1.5
142.07747	2.7
143.08549	1.3
144.06580	1.1
145.04953	3.7
145.10081	5.7
147.08025	3.1
147.11700	13.3
149.09613	6.6
149.13261	3.7
157.10106	12.6
158.18503	1.1
159.11690	4.0
161.13255	2.9
163.06039	4.4
163.11165	1.3
165.12733	2.3
171.11758	1.2
173.13251	3.3
175.11180	9.7
184.07362	3.1
187.14760	1.0
189.11243	1.1
193.12231	43.7
194.12566	1.2
196.57579	1.0
211.13281	67.6
212.13641	2.9
227.12805	2.5
229.14281	1.9
243.21109	3.2
259.20676	1.6
261.22159	10.4
267.15912	17.9
268.16452	1.0
283.15408	2.7
285.16937	78.2
286.17288	3.7
304.31198	1.0
317.24628	2.3
335.25793	76.4
336.26141	4.2
417.31500	1.6
435.32474	2.4
453.33688	2.2
484.36041	1.0
527.37378	13.5
545.38361	100.0
546.38635	12.0
563.38855	1.5
660.36102	1.3
704.18433	1.3
776.80817	1.1
830.44128	1.1
904.49548	7.9
905.48151	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5264
Annotation	Unknow
Peak:m/z	Relative Intensity
64.93523	0.7
65.03937	1.6
66.24744	0.8
67.05507	22.4
69.03428	2.7
69.07069	9.0
71.04993	1.4
71.08619	2.8
71.27697	1.3
73.02924	1.9
79.05496	15.4
81.03424	6.8
81.06586	1.5
81.07059	28.0
83.01328	3.8
83.04977	6.6
83.08623	10.4
85.02901	11.4
85.06530	2.0
85.10162	1.1
91.03956	6.6
91.05478	13.5
93.07043	15.8
95.04990	3.7
95.08613	22.7
97.02885	6.7
97.06537	4.5
97.10164	5.1
99.04443	1.5
105.06356	1.5
105.07024	11.0
107.04955	4.5
107.08596	9.9
109.06494	4.5
109.10169	9.1
111.04453	1.8
111.08099	2.5
117.07025	3.4
119.08580	8.6
121.06486	1.0
121.10139	8.0
123.08050	4.6
123.11704	3.4
125.09628	2.4
127.03915	2.5
129.07011	1.2
130.07768	0.9
131.08582	1.9
133.10141	7.4
135.08002	1.2
135.11688	8.9
137.09593	1.8
141.12741	2.6
145.04953	2.4
145.10141	9.2
147.08052	1.4
147.11673	4.5
149.13228	1.7
153.12759	1.8
155.08530	0.9
161.13271	2.5
163.05960	4.4
163.11172	15.1
173.09662	2.0
175.14828	1.1
181.12238	2.7
184.07318	2.5
189.11287	1.2
191.10648	1.8
209.11678	5.7
227.12698	4.3
236.14978	1.0
245.22643	10.3
263.23685	8.3
283.15402	100.0
284.15674	4.4
337.27350	31.9
338.27625	2.6
390.13492	0.9
432.49026	1.0
453.33279	1.6
471.35098	1.4
480.09967	1.1
527.37421	2.3
545.38361	21.8
546.38580	1.8
554.53564	0.9
717.24146	0.9
904.47382	7.4
905.46539	2.7
937.43860	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.529
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.0
67.05508	24.0
67.05835	1.2
69.03429	2.9
69.07070	10.7
71.01324	1.1
71.04994	2.5
71.08587	1.5
73.02918	3.7
75.93601	0.4
79.05495	16.5
81.03418	8.3
81.07061	30.5
82.07359	0.8
83.01341	4.2
83.04980	6.5
83.08623	12.5
85.02908	12.7
85.06514	1.2
85.10120	0.8
87.04438	0.5
91.03431	0.4
91.03957	8.6
91.05491	11.6
93.07048	18.5
94.27766	0.5
95.04968	3.3
95.08609	21.9
96.08900	0.7
96.15052	0.5
97.02900	8.5
97.06545	2.5
97.10170	4.7
99.04472	2.7
99.08047	1.0
105.04469	0.6
105.06401	0.6
105.07030	8.0
107.04979	4.8
107.08597	11.2
108.08791	0.6
109.02866	0.8
109.06503	3.7
109.10167	10.3
111.04411	2.1
111.08037	2.0
111.11672	1.1
113.09608	0.8
113.53334	0.5
117.07008	3.9
119.07801	0.6
119.08588	7.7
121.06448	1.9
121.10144	7.7
123.08077	5.4
123.11702	4.2
125.05940	1.2
125.09570	1.8
125.62550	0.6
127.03940	4.0
127.19437	0.6
129.06964	1.0
130.07698	1.0
131.08546	2.5
133.02853	0.6
133.10147	3.6
135.08034	1.3
135.11696	8.2
137.09535	1.6
137.13158	1.5
143.08578	0.9
143.54803	0.6
145.04980	2.9
145.06453	0.5
145.10117	8.7
145.92558	0.5
147.08020	0.7
147.11647	1.4
147.31067	0.5
149.13206	1.7
151.11153	0.9
151.14839	0.8
151.16039	0.5
153.12714	1.9
155.08539	1.2
161.09682	0.6
161.13210	1.9
163.06041	3.8
163.09810	0.8
163.11185	16.0
163.13248	0.6
163.14795	1.6
173.09610	1.8
175.14790	1.5
181.12201	2.2
184.07372	1.4
185.04146	0.8
189.11147	1.0
191.10674	1.6
209.11722	4.8
227.12784	5.1
245.22624	2.2
259.19284	0.6
261.22650	0.6
263.23737	3.9
274.59918	0.6
283.15408	100.0
284.15765	4.8
301.25366	1.1
319.09958	0.6
319.26352	0.5
335.25787	0.7
337.27377	57.4
338.27753	3.0
347.09515	2.0
363.08975	1.0
405.13336	1.1
406.14090	0.6
435.32715	1.5
439.81821	0.6
453.33871	1.2
463.14709	0.7
467.18253	0.5
471.34586	1.5
489.36041	1.1
498.31360	1.6
527.37512	3.4
545.38367	43.6
546.38727	4.3
548.23932	0.8
563.39551	2.0
659.36200	1.3
660.36621	2.2
759.19147	0.5
791.36694	0.7
886.48499	1.5
904.49384	30.4
905.49939	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	904.5283
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	1.3
67.05504	38.4
69.03441	5.1
69.07070	12.5
69.82332	2.0
69.82739	3.5
71.01358	1.6
71.04998	4.2
71.08640	2.1
73.02922	5.8
73.56155	1.0
79.05493	20.9
81.03417	7.7
81.07056	42.4
82.07418	1.1
83.01359	5.7
83.04983	6.7
83.05409	0.8
83.08620	15.1
84.08994	1.1
85.02906	19.8
85.03375	1.7
85.10216	1.3
88.98527	1.0
91.03961	10.9
91.05482	13.5
93.07042	24.7
95.04978	4.2
95.08607	29.0
97.02887	10.7
97.06548	4.3
97.10175	5.1
99.04469	3.2
99.08112	0.9
101.02361	1.3
105.07037	10.7
107.04949	5.4
107.08589	12.6
109.02893	1.5
109.06539	5.0
109.10152	14.5
111.04459	2.4
111.08098	1.8
111.11743	1.1
117.07053	5.2
119.08563	9.1
121.06541	1.1
121.10123	9.6
123.08035	6.7
123.11737	4.4
125.06026	1.1
125.09659	2.6
127.03937	4.6
129.07018	1.8
131.08586	3.1
133.10133	4.9
135.11691	12.0
137.09610	1.4
137.13284	1.4
138.50792	0.9
143.08612	1.4
145.05017	3.4
145.10101	10.8
147.11635	2.2
149.13295	2.3
153.12762	3.0
155.08598	1.5
161.13248	2.2
161.28650	1.1
163.06075	2.6
163.11188	14.2
167.49596	1.0
173.09642	2.3
175.14807	1.7
181.12227	2.3
184.07358	2.3
185.04352	1.1
191.10646	1.3
192.18015	0.9
209.11703	4.7
227.12827	4.8
236.15120	1.4
243.08397	1.4
245.22771	3.4
263.23740	4.7
283.15396	89.8
284.15833	4.3
337.27356	78.5
338.27750	4.3
405.13943	2.3
453.33716	1.7
468.19360	1.2
471.34924	1.1
497.30753	2.2
498.31509	1.8
527.37518	3.7
545.38373	84.9
546.38727	8.2
563.39398	2.6
659.36719	1.5
660.35925	3.2
783.74042	1.2
874.54321	1.4
886.47882	4.7
904.48932	100.0
905.48901	14.1
910.99731	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.486
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	5.4
67.78432	0.7
68.10927	0.7
69.03434	2.7
69.07076	1.5
71.05029	0.6
71.29643	1.2
73.02918	3.8
73.03272	0.5
77.81182	0.6
77.82092	0.5
79.05488	3.6
79.95661	0.5
81.03432	2.8
81.07057	6.2
83.05007	1.7
83.08646	1.8
85.02908	5.7
85.10143	0.6
91.03950	4.1
91.05478	3.3
93.07037	4.6
93.07539	0.6
95.05003	1.5
95.08605	4.1
97.02882	6.1
99.04472	1.7
101.02360	1.1
103.04003	0.7
105.07056	2.4
107.04994	0.7
107.08614	2.6
109.02911	1.0
109.06536	0.8
109.10164	1.2
112.67139	0.6
119.08587	1.1
121.10185	1.4
127.03968	2.1
135.11691	1.0
145.05032	0.6
145.10188	1.2
147.11758	0.6
157.34261	0.6
163.05975	0.9
163.11238	1.4
184.07349	1.2
185.04210	0.8
200.51039	0.6
203.35919	0.6
209.11812	0.7
217.32700	0.6
225.27789	0.6
227.12738	0.7
236.15036	1.0
237.86661	0.6
243.08498	2.2
283.15372	7.1
284.15723	3.1
337.27332	3.0
338.27899	2.3
347.09637	1.8
347.36926	0.6
365.10480	0.7
374.56808	0.6
394.30966	0.5
405.13617	4.8
453.16452	0.7
465.20853	3.0
516.71582	0.6
519.29346	3.6
545.38409	1.5
546.38824	2.5
547.84363	0.7
627.26038	3.1
681.34436	6.3
743.43231	1.2
905.48645	100.0
906.49146	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	906.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	0.8
67.05505	16.2
69.03436	2.4
69.04585	1.7
69.05008	1.7
69.07070	15.7
71.01334	0.7
71.04996	2.3
71.08635	2.3
73.02915	2.3
77.32861	0.5
79.05495	13.2
81.03415	6.3
81.06590	0.9
81.07057	17.5
83.01343	5.5
83.04985	6.1
83.08614	15.3
84.19989	0.4
85.02904	12.3
85.06540	1.1
85.10157	1.0
91.03958	6.7
91.05474	7.3
93.07043	17.2
95.04987	2.9
95.08608	14.6
97.02884	5.6
97.06514	3.1
97.10168	7.3
98.22643	0.8
99.04494	2.0
99.08079	0.9
103.77474	0.4
104.73252	0.4
105.04488	0.5
105.07027	5.0
107.04960	4.5
107.08595	10.0
108.45858	0.4
109.02874	0.9
109.06515	3.8
109.10158	6.5
111.04424	1.7
111.08099	2.6
111.11708	2.3
115.03894	0.5
117.07027	3.9
119.07766	0.6
119.08577	5.8
121.06493	1.7
121.10139	9.8
123.08071	5.5
123.11689	1.6
125.05965	1.3
125.09618	1.7
127.03922	2.3
129.07016	0.9
130.07814	1.0
131.08551	2.0
133.10118	1.2
135.08087	1.0
135.11688	11.2
137.09581	0.9
137.13284	0.4
139.11200	0.5
145.04948	2.8
145.06419	0.5
145.10104	8.9
147.08060	1.4
149.13231	1.7
153.12724	1.9
155.08522	0.7
163.05998	3.2
163.11168	14.4
163.14833	0.6
173.09627	1.7
181.12244	1.8
184.07343	0.5
191.10703	1.2
209.11725	4.7
227.12781	3.0
235.63594	0.4
247.24127	1.1
265.25311	1.6
277.24207	0.4
283.15396	100.0
284.15729	3.9
311.20178	0.4
325.32001	0.4
339.28925	64.9
340.29257	3.5
529.38464	1.0
547.39905	43.9
548.40247	3.8
565.41370	0.5
605.24634	0.5
906.48059	1.5
907.49292	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	21.2
69.03429	2.4
69.07068	21.1
70.07410	0.7
71.01363	1.1
71.04987	2.9
71.08295	0.8
71.08633	5.1
71.28998	1.1
73.02906	2.9
79.05061	1.5
79.05492	18.6
81.03416	6.8
81.07056	28.9
83.01343	6.1
83.04971	8.8
83.08623	23.4
85.02903	12.9
85.06544	1.3
85.10189	1.0
91.03957	6.1
91.05482	9.6
93.07038	22.0
95.04971	5.3
95.08603	21.8
97.02900	8.4
97.06533	4.1
97.10168	10.4
99.04471	2.3
99.08044	0.9
105.07016	6.9
107.04971	4.8
107.08585	12.4
109.02879	1.0
109.06523	5.2
109.10152	8.5
111.04422	2.1
111.08080	2.6
111.11710	2.0
115.03969	0.8
117.07008	5.0
119.08593	5.3
121.06505	2.5
121.10146	12.5
123.08093	5.1
123.11702	2.8
124.70596	0.8
125.05962	2.2
125.09636	2.4
127.03874	4.0
129.07022	2.4
130.07693	1.3
131.08588	2.5
133.10117	2.1
135.08098	2.0
135.11693	13.4
137.09604	1.6
137.13216	1.0
139.11197	1.1
145.04953	3.6
145.10135	9.3
147.08127	1.4
149.13268	2.5
153.12735	3.1
163.06046	2.1
163.11179	17.2
173.09642	1.8
181.12254	2.4
184.07275	1.0
184.49820	0.8
191.10648	2.4
209.11673	4.0
227.12784	3.6
247.24261	1.3
265.25244	1.7
283.15393	93.3
284.15701	3.2
339.28928	94.8
340.29358	6.3
389.54181	1.0
470.56085	0.8
547.39905	100.0
548.40320	8.8
596.89355	0.9
891.45007	0.8
906.45880	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	907.466
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	2.9
69.03434	4.2
69.07081	0.3
69.41071	1.7
71.01367	0.5
71.04996	0.5
73.02923	4.5
79.05500	2.3
80.49824	0.3
81.03426	2.2
81.07053	2.5
81.40945	0.3
83.01354	0.7
83.04984	0.9
83.08584	0.6
85.02911	7.2
87.04496	0.4
91.03967	3.5
91.05486	1.7
93.07040	2.6
95.04968	0.4
95.08603	1.9
97.02891	6.5
99.04459	0.9
101.02399	2.1
103.03988	0.3
105.07059	1.1
107.04968	0.4
107.08641	1.0
109.02908	1.0
109.10207	0.9
110.52171	0.3
111.04436	0.3
115.03986	0.4
117.07050	0.6
118.61935	0.3
119.08637	0.8
121.10187	1.1
123.08020	0.4
123.11736	0.4
127.03922	1.9
131.08600	0.4
135.11755	0.7
145.04977	0.4
145.10158	1.3
163.11234	1.1
185.04268	0.6
203.05307	0.4
243.08354	2.0
249.10950	0.4
283.15506	0.5
347.09436	1.7
363.09402	0.4
365.10419	1.1
405.13721	5.1
405.18860	0.4
467.18936	5.4
468.19196	0.3
519.29352	3.0
629.24194	7.6
630.24933	1.0
681.34729	4.5
682.33868	0.4
745.40985	1.9
907.46594	100.0
908.46948	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	907.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	0.3
67.05171	0.4
67.05505	3.8
68.99738	0.7
69.00159	1.4
69.03430	5.8
69.07076	0.8
69.49195	0.2
71.01367	0.9
71.05003	0.7
73.02916	5.2
79.05495	3.1
81.03423	2.8
81.03868	0.3
81.07057	3.7
83.01353	0.5
83.04997	0.5
83.08632	0.5
85.02908	8.1
87.04496	0.6
91.03954	4.9
91.05483	2.0
93.07046	3.3
95.04996	0.5
95.08614	2.8
95.81164	0.2
97.02895	7.0
97.06568	0.2
97.10188	0.2
99.04443	1.6
101.02382	2.4
103.03970	0.4
105.07076	0.9
107.04963	0.4
107.08608	1.6
109.02860	1.2
109.10173	1.0
111.04443	0.2
111.05463	0.2
115.03935	0.6
117.07060	0.6
119.08572	0.9
121.10126	1.3
123.08112	0.4
123.11729	0.3
127.03920	2.5
131.08614	0.5
133.10167	0.7
135.08180	0.3
135.11728	1.0
145.05048	0.4
145.10173	0.8
147.11726	0.3
149.13293	0.3
159.11673	0.3
161.13261	0.2
163.11238	0.6
184.07387	0.4
185.04210	1.2
203.05336	0.5
204.31461	0.2
224.16692	0.2
243.08395	2.8
243.10645	0.3
259.07922	0.2
268.87173	0.2
282.06631	0.2
283.15598	0.3
294.71317	0.2
305.13696	0.3
329.08585	0.2
335.26050	0.6
347.09506	2.0
347.13547	0.3
363.09198	0.5
365.10751	0.7
405.13681	6.0
405.18839	0.3
406.13953	0.5
442.84857	0.2
467.18826	3.3
467.24707	0.2
468.19202	0.2
499.31696	0.2
519.29321	4.1
519.36597	0.4
520.29840	0.5
629.24078	3.4
661.36652	0.4
681.34546	8.3
682.35071	0.8
745.40936	1.5
746.42224	0.4
906.51178	0.5
907.46594	100.0
908.46893	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	909.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03954	0.4
67.05505	3.2
69.03431	3.6
69.07085	0.9
71.01343	0.6
71.04995	0.7
71.28338	0.3
73.02917	4.1
73.03314	0.4
79.05493	3.0
79.99329	0.3
81.03408	3.1
81.07048	3.3
81.32819	0.3
83.04984	0.5
83.08637	0.9
85.02902	6.7
87.04484	0.5
91.03954	3.7
91.05469	2.2
93.07054	2.9
95.04987	0.9
95.08599	2.4
97.02888	6.8
97.06563	0.4
99.04488	1.2
103.03953	0.5
105.07039	2.0
107.04983	0.3
107.08607	1.5
109.02908	0.8
109.06380	0.3
109.10179	1.1
111.04446	0.3
111.39017	0.3
113.05979	0.3
115.03954	0.7
117.07022	0.5
117.49592	0.3
119.08598	1.1
121.10166	1.4
127.03912	1.9
129.06998	0.5
131.08604	0.9
133.10175	1.0
135.11716	0.8
145.10161	0.4
147.11679	0.8
149.09631	0.3
149.13391	0.4
159.11703	0.4
184.07440	0.5
185.04320	0.9
193.12251	0.5
203.05357	0.9
209.20728	0.3
243.08360	2.4
251.12711	0.4
263.21585	0.3
264.12308	0.3
283.15811	0.4
307.39642	0.3
335.25964	0.7
339.20459	0.3
344.46686	0.3
347.09549	1.9
363.09070	0.6
365.10663	0.8
405.13669	4.0
469.20447	3.5
519.29272	4.5
520.29572	0.5
631.25647	2.7
638.12781	0.3
681.23022	0.5
681.34454	7.2
682.13690	0.4
682.35358	0.6
747.43048	1.1
870.37927	0.4
904.38812	0.3
909.48065	100.0
910.48431	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	909.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
65.32159	0.4
67.05501	4.1
69.03435	4.0
69.07060	1.6
71.01364	0.4
71.05003	0.9
71.29533	0.5
73.02917	4.6
79.05487	2.7
81.03413	4.4
81.07056	3.6
83.04992	1.0
83.08627	1.0
85.02901	7.1
86.60776	0.4
87.04487	0.7
91.03963	3.9
91.05479	3.5
93.07038	3.8
95.04989	0.9
95.08608	2.7
97.02898	6.8
97.06557	0.5
99.04459	0.8
103.03969	0.7
105.06452	0.5
105.07040	2.2
107.08616	1.6
109.02903	1.0
109.10191	1.5
117.07010	0.7
119.08640	1.2
121.10155	1.8
123.08074	0.6
127.03953	2.8
129.07002	0.7
131.08588	0.9
133.10135	0.7
135.11766	0.6
147.11690	0.8
157.10280	0.5
185.04327	0.7
203.05327	0.8
207.13887	0.7
243.08484	2.3
251.12695	0.9
279.29782	0.5
299.86682	0.5
335.25839	0.5
347.05746	0.5
347.09314	2.3
363.09091	0.7
365.10953	0.6
405.13660	5.3
450.11603	0.4
469.20471	3.5
519.29205	4.3
613.90509	0.5
631.25873	3.5
681.34418	7.3
682.34723	0.8
747.42883	1.8
909.48083	100.0
910.48413	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	909.481
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	3.7
69.03430	5.0
69.07072	1.5
69.70781	0.4
71.01359	0.7
71.04997	0.7
71.29905	0.5
73.02916	5.0
79.05498	3.0
81.03414	3.3
81.07059	4.5
83.01287	0.6
83.04987	0.8
83.08627	1.3
85.02907	7.5
85.03381	0.8
87.04456	0.6
89.41352	0.4
91.03963	4.6
91.05466	2.5
93.07033	2.9
95.04989	1.2
95.08605	2.1
97.02888	7.6
97.10138	0.5
99.04479	0.9
101.02394	1.8
103.03972	0.5
105.06995	1.0
107.05000	0.7
107.08620	1.2
109.02911	1.6
109.06572	0.5
109.10111	0.7
111.08116	0.6
115.03944	0.5
117.07061	0.7
119.08593	0.9
121.10200	1.4
127.03970	1.7
131.08641	0.4
133.10164	0.9
135.11711	0.8
143.40562	0.5
145.10136	1.2
147.11765	0.5
149.13336	0.4
163.11250	1.2
184.95226	0.5
185.04161	0.9
203.05336	1.3
208.53555	0.5
209.11903	0.5
243.08322	2.3
283.15540	1.0
340.29324	0.7
347.09479	2.6
351.13379	0.5
363.09125	0.8
365.10428	0.6
405.13635	5.3
405.18231	0.5
462.59927	0.5
467.18869	7.4
500.83444	0.5
510.69565	0.6
521.30933	3.2
522.30865	0.7
550.42041	0.9
616.26459	0.5
629.24237	6.8
630.25012	0.5
683.36041	3.8
684.74664	0.5
700.89545	0.5
703.01239	0.5
747.43304	2.2
909.48071	100.0
910.48419	17.4
914.20422	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.481
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	4.3
69.03430	3.0
69.07076	1.4
70.96995	0.5
71.01363	0.5
71.05007	0.6
71.08622	0.7
71.29459	0.7
73.02930	3.4
73.70834	0.5
73.90033	0.5
79.05495	2.3
81.03419	2.8
81.07049	4.1
83.08620	1.1
85.02908	6.1
87.04491	0.8
89.06046	1.2
91.03940	3.4
91.05492	1.7
93.07056	2.4
95.04986	1.0
95.08607	2.8
97.02896	6.1
99.04453	1.1
101.02384	1.6
105.07064	1.2
107.04964	0.7
107.08607	0.8
109.02911	1.3
117.07023	0.7
119.08608	0.9
121.10150	0.9
123.11733	0.7
127.03949	1.6
133.08662	0.7
133.10184	0.8
135.11740	0.9
145.10115	0.9
163.11180	0.7
184.07513	0.6
215.57947	0.5
223.07803	0.5
243.08412	2.4
347.09534	1.1
405.13452	3.9
424.82587	0.6
467.19012	2.0
521.30756	4.1
629.24304	3.4
683.35974	7.5
684.36108	1.0
909.48120	100.0
910.48657	15.8
910.67145	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
66.70649	2.9
67.05512	35.8
67.60656	2.5
69.03433	16.3
69.07073	8.8
69.49502	13.1
70.38939	2.8
71.01364	3.8
71.04992	7.4
79.05495	47.0
81.03416	31.4
81.07056	45.3
83.01336	12.8
83.04973	20.2
83.08615	21.4
85.02915	18.0
85.06534	3.0
89.81757	2.6
91.05489	40.4
93.07048	48.5
95.04991	22.2
95.08602	19.8
97.02887	10.3
97.06534	11.2
97.10182	10.6
98.23396	2.7
99.04466	5.8
102.35368	2.8
105.07032	21.6
107.04962	22.2
107.08594	25.8
109.02894	8.7
109.06509	12.8
109.10167	14.0
111.04421	2.9
111.08085	4.8
117.07002	20.1
119.08577	15.3
121.06528	8.2
121.10139	14.5
123.08077	10.6
125.09636	11.8
127.03919	17.0
127.07478	3.0
129.05464	2.9
129.07014	5.4
130.07823	4.4
131.08557	12.8
133.10123	6.6
135.08127	6.0
135.11726	15.6
145.06526	4.3
145.10136	27.3
147.08051	4.6
149.09671	3.6
153.12764	4.7
155.08569	3.5
159.11737	7.3
163.11186	36.6
173.09596	6.1
181.12292	7.8
187.11172	4.8
189.11232	10.7
191.10728	5.5
205.12265	7.0
209.11739	30.4
210.57823	2.9
223.13287	54.7
227.12761	34.4
229.14333	5.2
279.15982	4.4
283.06760	2.6
283.15424	100.0
284.15756	4.4
297.16992	64.0
299.14990	3.0
302.09052	2.9
353.15924	12.3
371.17191	4.6
385.17816	3.1
437.25275	4.3
491.26285	18.3
505.28003	50.0
824.42340	6.1
899.30280	3.0
910.50513	46.5
911.48602	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	911.4975
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	2.4
67.78544	0.5
68.58730	0.5
69.03434	2.8
69.07079	1.4
71.01357	0.7
71.05017	0.8
71.08649	0.7
71.29617	0.5
72.42625	0.4
73.02915	3.8
74.48626	0.4
79.05516	1.7
79.44733	0.4
81.03437	2.2
81.07047	3.5
83.04955	0.8
83.08647	1.3
85.02898	6.0
85.03355	0.5
91.03957	2.9
91.05499	0.8
93.07066	2.1
95.04991	0.6
95.08640	1.5
97.02890	5.7
97.06528	0.9
99.04474	1.4
101.02403	1.9
105.07050	0.6
107.08632	1.3
109.02912	1.2
109.10166	0.6
121.10152	0.9
125.09750	0.4
127.03957	1.9
135.11728	0.9
143.08653	0.6
145.10199	0.9
163.11273	1.6
176.84956	0.4
185.04329	1.0
227.12976	0.9
238.90202	0.5
243.08289	2.2
245.14125	0.6
259.04791	0.5
283.15402	0.9
293.61554	0.5
305.13821	0.6
313.27451	1.3
339.28976	0.5
347.09711	1.7
365.10553	0.7
375.79709	0.5
405.13730	4.7
463.61273	0.5
467.18896	5.8
523.32361	2.5
629.24023	7.3
685.38086	3.6
749.44489	1.5
911.49689	100.0
912.49896	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	912.552
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	0.8
67.05508	17.1
69.03393	1.9
69.07070	10.1
70.50117	0.5
71.01316	1.8
71.04994	3.6
71.08633	21.5
73.02873	2.0
73.64739	0.5
79.05495	17.1
81.03417	17.2
81.07059	20.8
83.01300	1.9
83.04990	7.6
83.08618	10.3
85.02909	10.6
85.06544	2.4
85.10185	12.1
87.04430	1.0
87.49279	0.5
89.06015	1.1
91.03970	3.5
91.05484	9.6
92.05777	0.5
93.07043	14.2
94.07323	0.5
95.04453	0.5
95.04974	5.4
95.08610	21.3
97.02898	8.2
97.06541	4.7
97.10172	5.1
99.04413	2.0
99.08100	0.6
101.06048	0.5
103.07563	1.3
105.04494	0.5
105.07040	4.7
107.04958	12.8
107.08584	8.2
109.02863	0.6
109.06525	4.6
109.10159	8.6
111.03714	0.9
111.04448	14.3
111.08025	1.9
111.11654	1.8
111.54435	0.4
113.05991	1.0
115.05456	0.5
117.07015	6.6
119.08579	6.2
121.06516	3.8
121.09456	0.5
121.10145	6.6
123.08083	4.2
123.11710	2.3
125.05998	3.7
125.09581	1.5
127.03871	1.4
129.06955	1.6
130.07751	1.5
131.04942	0.6
131.08568	4.5
133.10126	0.9
135.08015	2.4
135.11707	9.4
137.09612	1.5
137.13214	0.8
139.07484	0.9
143.08499	0.6
145.04932	1.5
145.06439	1.3
145.09018	0.8
145.10136	12.3
147.08035	2.5
149.09615	0.9
153.12733	7.2
155.08531	1.6
163.05954	1.7
163.11195	17.5
165.09134	0.7
173.09604	5.3
181.12265	3.0
191.10678	7.5
195.13768	0.8
205.12166	0.6
209.11731	6.2
223.13313	11.0
224.13576	0.7
227.12778	4.4
239.23709	2.1
241.14348	12.0
242.14581	0.6
257.24738	2.1
265.14355	14.4
283.15427	15.4
284.15567	0.9
297.17026	2.3
313.27356	85.0
314.27710	4.3
315.18030	25.4
315.21075	0.4
316.18365	1.4
380.34750	0.5
459.21994	0.5
503.37317	15.8
504.37778	1.3
521.38391	66.3
522.38684	6.9
535.39545	1.0
539.39209	1.2
553.40991	100.0
554.41241	10.7
697.45923	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	1.0
69.03429	18.5
71.01357	0.5
71.04998	2.2
71.09772	0.4
73.02908	1.2
79.05502	0.5
80.05005	0.3
81.03417	8.3
83.01364	0.4
83.04979	3.2
85.02905	10.0
85.06533	0.5
87.04461	0.6
89.42941	0.2
91.05482	9.1
92.05796	0.5
92.26183	0.3
95.04966	0.5
96.04482	0.3
97.02892	12.7
97.06538	0.4
97.64538	0.2
98.06025	0.3
99.00820	1.0
99.04450	6.3
99.05090	0.3
101.02392	0.5
103.19988	0.3
107.04967	1.4
109.02878	4.7
109.91154	0.3
111.04426	1.2
113.05968	1.4
115.03922	1.1
117.01871	0.3
119.04945	20.5
120.05254	0.6
120.11786	0.2
121.02887	0.5
123.04452	0.6
125.02361	0.3
127.03918	11.4
131.04913	0.5
133.06468	0.3
135.04416	0.7
137.02307	0.4
145.04956	6.3
145.06206	0.5
145.06467	0.4
147.04407	100.0
148.04738	5.8
149.04950	0.3
161.06055	0.2
163.03899	0.6
165.05524	1.3
177.05469	0.7
181.06468	0.6
195.06509	0.4
195.08083	0.4
197.05980	0.3
212.08362	0.4
213.09134	2.8
219.08063	0.5
223.05910	0.4
225.03955	0.5
227.07042	3.2
228.07353	0.5
237.09111	2.2
241.07072	0.4
243.04985	2.9
245.08047	1.0
247.07610	0.8
249.07397	0.3
261.06061	1.5
265.08649	1.0
267.19373	0.3
291.08624	4.0
293.08041	1.3
293.11255	0.3
309.09680	18.1
309.61035	0.2
310.09964	1.5
311.09106	0.7
321.06079	0.3
351.06863	0.4
369.08078	0.8
371.11206	0.3
373.10641	0.4
387.09247	4.0
389.12186	0.7
391.11530	0.4
405.10245	8.1
406.11130	0.5
407.13541	0.5
423.12921	0.3
437.12369	0.5
455.13327	4.9
456.13669	0.7
465.10339	0.3
483.11261	0.9
485.12885	0.9
501.12137	0.9
521.14789	0.5
535.15668	0.5
581.16187	0.9
599.16711	0.4
617.18481	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.474
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.2
67.05507	16.1
69.03430	6.0
69.07067	4.3
71.01344	1.6
71.05003	3.6
71.08611	0.6
73.02897	1.1
79.05492	21.6
81.02935	0.8
81.03413	15.0
81.07057	18.4
83.01343	7.0
83.04977	10.4
83.08618	8.7
85.02900	7.1
85.06550	1.2
91.05474	15.6
91.06011	1.0
93.07041	24.2
93.07633	1.2
95.04962	8.3
95.08606	9.6
97.02898	7.0
97.06519	5.5
97.10169	1.7
99.00797	0.7
99.04455	4.4
99.08057	0.9
103.05524	0.9
105.04505	0.7
105.07026	10.0
107.04951	9.3
107.08588	14.1
108.04459	0.7
108.05209	0.7
109.02876	6.2
109.06516	5.6
109.10142	2.4
111.04455	7.6
111.08075	2.3
113.06012	0.9
117.07009	9.3
119.08585	9.5
121.06503	3.6
121.10139	7.9
123.04417	1.8
123.08064	5.6
125.06007	2.1
125.09628	1.4
127.03910	6.8
129.06999	2.0
130.07761	1.5
131.08569	3.5
133.10135	3.9
133.95197	0.7
135.08035	1.9
135.11688	12.9
136.12044	0.8
137.09633	2.3
143.08585	1.1
145.06480	1.8
145.10115	17.0
147.08037	2.1
149.09634	2.0
151.11029	0.7
153.12729	1.9
155.08537	2.0
157.10205	1.0
161.09633	0.9
163.09799	1.3
163.11180	25.6
164.11533	1.1
170.18364	0.6
172.03052	0.6
173.09644	5.1
181.12228	3.7
191.10661	6.2
209.11723	25.6
227.12772	13.0
265.14362	1.0
267.15823	1.1
283.15387	100.0
284.15799	6.0
299.14905	2.1
300.15222	1.1
301.16455	0.7
331.14929	0.6
335.14786	0.9
347.90988	0.6
353.15915	11.9
354.16452	0.8
371.17093	4.4
473.24945	1.4
491.26373	50.1
492.26843	5.1
507.25659	0.9
509.26715	1.6
601.63062	0.6
652.36426	0.6
653.31360	0.7
914.43933	1.4
915.42816	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.568
Annotation	Unknow
Peak:m/z	Relative Intensity
63.61796	0.6
63.62143	0.7
65.03958	0.9
67.05505	12.5
69.03419	2.4
69.07065	8.0
71.05010	1.0
71.08633	21.8
73.02927	1.4
75.72442	0.7
79.05496	7.6
81.03417	49.4
81.07059	15.4
82.03768	0.8
83.04985	2.7
83.08620	17.9
83.09119	1.0
85.02895	5.0
85.06556	0.9
85.10179	14.9
89.06038	1.8
91.03954	2.8
91.05482	8.3
93.07034	4.8
95.04967	16.4
95.08049	1.4
95.08610	17.2
97.02882	4.3
97.06535	1.3
97.10164	5.9
98.22536	0.9
99.04412	0.8
99.08089	0.8
99.11707	1.0
103.07579	0.9
105.07030	6.7
107.04952	2.7
107.08583	2.2
109.06507	2.4
109.10151	9.1
111.04473	0.9
111.08096	4.2
111.11716	0.8
117.07015	1.3
119.04996	0.9
119.08577	6.6
121.06493	2.2
121.10159	3.8
123.04457	1.6
123.08061	1.3
123.11716	2.7
125.09625	1.4
125.53729	0.8
127.03928	0.9
129.07007	4.7
131.08595	4.7
133.06485	2.1
133.10126	2.6
133.16901	0.8
135.11639	0.7
142.07808	0.9
145.04982	1.2
145.10109	1.6
147.04414	0.9
147.08067	2.7
147.11710	4.8
149.09634	2.9
152.76840	0.6
157.10101	7.5
163.06032	2.8
163.11212	1.5
165.12724	1.1
175.11182	6.2
193.12241	24.5
194.12601	1.1
211.13298	1.7
221.22815	0.9
235.13333	1.2
239.23798	2.0
244.53207	0.8
249.14821	2.0
257.24750	2.2
259.13330	1.3
263.16476	0.6
267.15912	80.8
268.16351	3.3
268.18976	0.7
273.14926	1.1
301.14349	2.1
309.17117	2.2
313.27359	100.0
314.27701	6.0
333.16898	1.4
375.18274	0.8
413.21555	0.8
431.35007	0.9
505.38855	72.0
506.39478	5.8
523.39447	2.4
547.39874	6.9
553.41052	0.8
554.40826	0.9
555.41284	1.3
601.40833	2.2
613.40729	2.3
631.41797	2.7
649.42969	2.5
660.93878	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	0.7
67.05505	13.6
69.03432	1.8
69.07072	9.6
71.04989	1.6
73.02916	0.7
79.05022	0.6
79.05148	0.4
79.05492	16.2
81.03424	6.0
81.07057	24.3
83.01350	2.9
83.04976	5.9
83.08614	5.6
85.02907	2.8
85.06567	1.2
91.03972	0.9
91.05481	22.8
93.07048	17.7
93.07634	1.1
94.07406	0.7
95.01313	2.9
95.04977	6.4
95.08609	11.4
97.02911	2.0
97.06532	7.9
97.10174	1.7
98.23457	1.1
99.04461	1.4
103.05477	1.0
105.07033	28.9
106.07367	0.5
107.04962	7.5
107.08599	10.3
109.06519	3.2
109.10172	3.5
111.04465	1.0
111.08047	0.9
113.06032	0.6
115.05420	0.8
117.07024	6.7
118.07269	0.5
119.08582	17.3
121.06535	2.6
121.10155	5.6
123.04430	1.2
123.08087	3.9
123.11727	1.3
125.06022	0.9
125.09643	1.2
127.03957	1.2
129.07019	1.5
130.07809	0.8
131.04947	0.7
131.08563	9.2
133.10126	15.1
135.08063	1.2
135.11696	5.6
137.05910	0.6
137.09653	0.9
139.07513	0.6
143.08553	1.8
145.06439	0.6
145.10123	10.4
147.08076	1.1
147.11694	7.0
149.09628	2.7
149.13275	1.1
151.11185	1.1
153.12733	0.8
155.08557	0.7
157.10133	1.3
159.11691	4.2
161.09692	0.7
161.13274	1.9
163.11172	7.4
164.11629	0.8
165.09172	0.8
169.10222	0.7
171.11690	1.3
173.09682	1.1
173.13336	1.5
175.11174	0.7
177.12764	1.5
179.14336	5.0
181.12306	0.9
183.11736	0.9
184.07394	1.3
185.13322	0.8
187.11232	0.9
187.14964	0.5
197.13170	0.8
205.12265	0.8
209.11740	1.7
209.15607	0.5
219.17409	5.8
227.12808	1.7
234.22072	0.6
239.18126	0.8
257.19116	1.7
264.56320	0.6
265.14383	0.6
267.15967	0.8
273.78275	0.6
275.20068	29.7
276.20444	1.2
283.15402	25.2
284.15808	2.3
285.16016	0.6
291.19565	1.8
293.21103	1.8
349.23755	12.6
350.24234	1.5
493.27551	1.0
539.33673	2.4
557.34711	100.0
558.35010	11.8
575.35870	1.6
916.45276	1.0
917.38477	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	916.5467
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	45.1
69.03426	6.4
69.07066	19.9
71.04995	5.7
71.08631	32.2
73.02908	4.0
79.05494	31.8
79.05830	0.7
79.05957	1.2
81.03415	8.2
81.07053	43.1
82.29264	1.3
83.04979	11.0
83.08620	19.8
85.02902	16.9
85.06541	3.5
85.10175	18.3
89.06064	1.5
91.03957	9.4
91.05479	22.5
93.07046	28.0
95.04958	9.3
95.08604	33.8
96.08941	1.7
97.02890	24.0
97.06510	7.7
97.10170	9.3
99.04446	3.4
103.03983	1.8
103.07547	1.8
105.07017	11.0
107.04954	7.6
107.08592	15.8
108.64833	1.3
109.02917	1.9
109.06525	1.9
109.10150	24.0
111.04436	26.6
111.08076	2.1
111.11710	2.1
113.05962	1.8
117.07019	7.5
117.86909	1.5
119.08585	10.4
121.06522	2.3
121.10155	19.1
123.04481	1.5
123.08080	3.5
123.11694	7.7
125.06042	3.0
125.09624	2.0
127.03058	1.2
127.03908	6.2
129.07051	1.8
131.08572	9.2
133.10162	6.3
135.08041	3.7
135.11681	10.3
137.09612	3.6
139.11188	3.1
143.08629	2.5
145.04979	4.7
145.06511	1.8
145.10109	15.0
147.08055	3.2
149.09634	5.4
151.11169	1.6
153.12737	1.9
155.08549	1.9
159.08046	1.4
163.05986	4.5
163.11157	12.2
167.10648	3.1
173.09657	4.0
173.11740	1.8
181.12253	3.4
184.07484	1.7
190.49582	1.5
191.10616	10.7
200.08093	1.4
205.72501	1.3
209.11722	99.1
210.12099	3.1
215.95798	1.2
227.12747	29.2
239.23781	6.2
241.14363	5.4
255.15941	2.4
257.24945	1.6
265.14349	4.6
267.69159	1.2
283.15384	57.8
283.68771	1.4
284.15646	2.3
299.14590	1.6
301.16434	93.3
302.16861	4.6
313.27344	100.0
314.27582	4.0
341.26904	2.4
445.20248	1.5
468.08618	1.3
479.37173	6.0
503.36966	3.0
521.38348	76.1
522.38202	5.9
539.39392	94.1
540.39758	5.7
557.40289	6.6
665.41034	1.6
701.44263	1.6
799.38843	1.4
916.45465	10.0
917.46027	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	917.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05521	1.1
71.38708	0.7
79.05511	1.5
81.07068	0.7
83.04997	0.9
91.05511	1.0
93.07063	1.2
95.04996	0.9
95.08611	0.6
96.00111	0.5
99.06262	0.5
105.07006	0.6
107.08604	0.9
107.18255	0.5
117.07047	0.5
119.08569	0.7
121.10108	0.6
123.08002	0.6
133.10205	0.6
145.10181	0.6
163.11179	0.8
171.59567	0.5
180.11737	0.5
184.07291	0.7
248.56616	0.4
276.20413	0.5
284.15833	0.7
497.49951	0.5
557.34222	1.1
558.35468	1.6
691.26636	2.2
917.39172	100.0
918.39459	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	917.507
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	1.4
69.03429	3.6
69.07079	0.9
71.01368	0.9
71.04993	0.4
71.08620	1.6
72.70875	0.3
73.02917	4.5
73.76257	0.3
74.66697	0.3
79.05507	0.7
80.29610	0.2
81.03416	3.2
81.07056	1.7
83.05001	0.7
83.08640	1.1
85.02909	6.5
85.10205	1.3
87.04498	0.5
91.03963	3.9
91.05487	0.6
93.07060	0.6
95.08617	2.1
97.02892	7.4
97.10186	0.8
99.04479	1.2
99.11761	0.3
101.02396	2.0
103.03957	0.3
105.07055	0.4
107.08630	0.6
109.02889	0.7
109.10154	0.9
111.04424	0.6
127.03083	0.4
127.03918	1.9
129.05554	0.5
135.11674	0.3
145.05051	0.5
145.10139	0.6
146.94150	0.3
163.11229	1.1
175.06554	0.3
185.04263	0.8
189.21519	0.3
203.05341	0.9
213.48215	0.3
221.48991	0.3
223.13429	0.6
243.08403	2.2
281.13623	4.1
282.14078	0.4
313.27374	1.4
325.85580	0.3
337.16406	0.6
347.09531	2.0
363.09006	0.5
365.10663	1.2
405.13626	7.1
467.18649	0.4
471.72473	0.3
497.30811	6.4
498.31308	0.5
499.21518	4.4
574.19745	0.4
659.36133	8.5
660.36536	0.9
661.26660	3.6
755.45795	1.6
917.50757	100.0
918.51074	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5053
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	2.1
67.05505	40.3
69.03431	3.4
69.07068	8.1
70.06586	1.9
71.04987	2.2
71.28246	1.4
73.02926	4.0
79.05497	31.1
81.03426	5.0
81.07056	43.9
82.07413	1.7
83.04992	3.5
83.08624	12.2
85.02911	14.2
85.06519	1.8
91.03961	7.7
91.05483	29.7
91.06002	1.2
93.07040	33.3
95.04449	1.3
95.04968	7.1
95.08601	24.7
97.02898	8.9
97.06539	4.6
97.10188	3.5
99.00808	13.4
99.04467	1.7
103.05453	1.4
105.07034	23.9
107.04980	5.7
107.08595	20.5
107.49582	1.4
109.02876	8.5
109.06516	3.5
109.10145	16.8
111.04475	1.6
111.08107	3.6
115.03919	3.6
117.07053	7.5
119.08577	12.8
121.06519	6.2
121.10141	12.5
123.04459	1.6
123.08068	3.2
123.11712	6.3
127.03938	6.4
131.08580	8.0
131.72183	1.5
133.10135	37.1
134.10487	1.7
135.08118	1.5
135.11705	8.9
137.06017	1.8
137.09668	1.3
139.07501	3.0
143.03241	1.3
143.08588	6.0
145.05016	3.3
145.10139	5.3
147.11708	3.7
149.13263	4.7
151.11188	9.6
159.11687	3.8
161.09625	19.0
161.13278	2.9
163.06075	4.6
163.11208	1.8
163.14891	2.5
171.08070	4.3
173.13297	3.7
175.14836	1.9
176.24452	1.3
179.10690	6.1
185.98534	1.4
189.09064	7.0
207.10146	3.9
225.11206	14.3
227.12639	1.8
243.12276	2.6
243.21162	6.2
249.72762	1.3
261.22144	16.3
281.13910	2.5
287.24033	1.4
299.14890	100.0
300.15250	5.2
313.27457	1.9
315.23267	4.0
317.24774	3.1
335.25793	76.8
336.26175	5.2
346.86685	1.6
449.30515	2.0
467.31628	5.1
485.32535	3.3
513.35498	4.4
515.37744	1.8
531.36884	2.4
541.35132	8.4
559.36261	39.1
560.36353	4.0
577.37518	2.8
918.46967	6.8
919.48560	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	918.505
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	2.5
67.05505	42.9
68.80555	1.8
69.03437	5.6
69.07065	15.6
71.04993	4.9
71.08657	2.0
71.30379	1.6
73.02923	3.7
77.03936	2.3
79.05492	57.8
81.03426	13.5
81.07053	49.9
83.01345	8.6
83.04982	14.2
83.08614	16.1
85.02908	16.8
85.06550	3.7
91.03959	9.4
91.05477	66.9
93.07043	67.6
94.78770	1.8
95.04952	11.6
95.08602	32.8
97.02888	8.4
97.06532	9.7
97.10170	7.0
99.04465	4.2
99.08097	2.4
105.07031	65.5
106.07407	2.3
107.04964	8.1
107.08596	32.0
109.02875	3.4
109.06542	10.6
109.10157	13.4
111.04457	2.7
111.08057	2.7
115.05430	2.3
117.07008	22.8
119.08585	56.6
121.06484	2.9
121.10143	24.9
123.08063	6.6
123.11644	2.0
125.09627	7.9
127.03930	3.6
128.06277	2.2
129.07013	11.2
130.07816	2.5
131.08566	25.7
133.10133	38.5
135.08049	3.9
135.11703	24.7
137.09686	2.3
142.07864	2.2
143.08601	11.2
145.04955	4.3
145.06519	2.1
145.10112	32.1
147.08055	2.4
147.11684	33.8
149.09622	2.4
149.13277	6.9
153.12733	3.2
155.08562	4.2
157.10118	13.8
159.11716	17.2
161.13268	19.7
163.06021	5.8
163.11191	24.5
163.14830	2.3
169.10139	3.8
171.11685	11.7
173.09625	3.8
173.13245	9.7
175.14796	5.3
181.12262	3.4
183.11678	5.1
185.13269	12.4
187.14844	4.0
189.11201	5.9
191.10617	2.8
197.13367	2.7
199.14810	8.0
209.09926	2.0
209.11734	5.7
213.16446	2.9
227.12762	16.0
231.21095	6.4
241.19543	25.9
257.19089	5.0
259.20587	65.0
259.23276	3.9
260.20850	5.4
275.20245	2.2
283.12253	3.2
283.15384	61.9
284.15732	5.0
285.16574	1.7
297.22168	10.8
308.37985	1.6
315.23129	9.1
333.24197	42.8
334.24393	2.6
413.28210	2.0
421.31183	1.9
431.29410	2.0
449.30191	9.2
467.31677	8.4
513.35620	3.7
515.33124	1.9
523.34161	9.5
541.35236	100.0
542.35449	10.9
559.36194	25.7
560.36505	2.1
703.40381	2.7
918.40875	6.6
919.42029	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	918.5053
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03905	2.1
67.05506	43.7
67.05845	1.6
69.03418	3.5
69.07066	9.1
70.06571	1.2
71.01332	1.3
71.04964	2.6
71.28599	1.0
73.02877	3.0
77.03909	0.7
79.05493	30.0
81.03410	5.9
81.07056	45.5
82.07367	1.4
83.04987	3.6
83.08155	0.9
83.08607	10.9
85.02448	0.8
85.02904	12.3
85.06509	2.3
90.03401	0.6
91.03503	0.6
91.03960	7.8
91.05479	30.2
93.07043	40.7
94.49049	0.7
95.04973	7.1
95.08607	29.0
96.08937	1.0
97.02401	0.9
97.02882	10.2
97.06503	2.7
97.10176	3.3
99.00821	12.8
99.04422	2.7
99.08077	1.1
102.60742	0.7
103.05433	1.7
105.04484	1.3
105.07032	21.8
107.04964	5.9
107.08591	18.7
109.02874	10.3
109.06522	3.2
109.10155	13.8
111.04392	1.0
111.08081	3.4
114.35555	0.7
115.03941	3.6
117.07014	7.0
119.07780	1.1
119.08577	15.4
121.06486	6.5
121.10149	14.0
122.31874	0.7
123.04420	1.0
123.08051	1.7
123.11685	5.8
126.64589	0.7
127.03897	5.1
128.06181	1.5
129.06956	2.1
130.07642	0.7
131.08559	9.5
133.06448	1.0
133.10127	36.3
134.10463	1.2
135.08006	1.0
135.11693	10.9
137.05939	1.6
137.09535	2.0
137.13211	1.3
138.08374	0.7
139.07497	2.0
143.08578	5.8
145.04945	3.6
145.06476	1.6
145.10141	5.8
147.08052	0.7
147.11676	6.1
149.09578	1.4
149.13245	5.0
151.11179	10.5
152.25204	0.7
157.10066	1.0
159.11668	4.1
161.09615	16.5
161.13284	4.2
163.06009	3.6
163.11108	1.6
163.14757	2.7
165.09058	0.8
171.07991	2.2
171.11664	0.8
173.13240	3.7
175.14786	1.4
177.12675	0.7
177.16344	1.2
179.10680	8.8
181.12193	0.8
184.07362	1.6
187.14806	2.9
189.09140	6.7
189.10815	1.4
197.11745	2.2
198.19691	0.6
199.14888	0.7
207.10197	3.3
225.11206	12.3
226.11583	0.9
227.12764	2.0
241.19585	0.7
243.12283	3.6
243.21129	6.5
259.20511	1.5
261.22141	20.3
262.22369	1.6
277.21649	1.5
279.23340	1.2
281.13824	2.8
283.15250	0.7
299.14886	92.3
300.15295	2.9
315.23135	3.6
317.24689	4.4
335.25793	100.0
336.26129	5.2
356.07037	0.8
421.31155	1.6
439.32446	1.2
449.30377	1.8
467.31546	5.3
485.32520	3.6
513.35681	3.2
515.37323	2.1
531.36603	2.4
541.35095	11.8
542.35730	1.2
559.36273	57.0
560.36560	6.1
577.37164	2.1
918.48340	3.0
919.49860	2.9
924.64771	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	8.3
69.03416	1.4
69.07083	1.6
71.05008	1.1
71.28390	0.7
79.05492	8.1
80.05830	0.7
81.03426	5.1
81.07053	7.3
83.01347	1.2
83.04999	2.7
83.08643	2.5
85.02911	1.9
85.06527	0.7
91.05476	7.5
92.05858	0.7
93.07050	9.4
94.07388	0.7
95.04982	3.2
95.08631	2.9
97.02913	1.9
97.06551	2.1
97.10169	1.3
99.04471	1.3
105.07041	3.8
106.07346	1.0
107.04964	3.7
107.08603	4.5
109.02880	1.1
109.06564	2.1
109.10206	2.0
111.04457	1.2
117.07008	3.5
119.08575	3.4
121.06551	1.1
121.10167	3.2
123.08102	2.0
127.03952	0.8
129.07051	1.1
129.92865	0.7
131.08624	1.9
133.06436	0.6
133.10181	2.2
135.08080	0.8
135.11754	2.8
137.09625	0.9
139.93802	0.6
145.10120	6.2
147.07999	0.7
147.11739	1.0
149.09709	0.6
151.11256	0.7
157.10187	0.7
163.11176	5.8
171.11734	0.9
173.09685	1.4
182.60448	0.6
184.07408	0.7
190.03799	0.6
191.10759	0.9
206.03575	0.6
209.11821	0.9
249.11159	1.1
275.19980	1.1
283.15561	2.5
284.15860	1.0
393.15244	1.0
451.19571	1.7
542.35541	1.3
559.36127	0.7
675.29602	8.1
676.30396	0.9
693.30969	3.5
763.21533	0.8
792.50751	0.7
901.41840	11.7
902.42493	1.4
919.42804	100.0
920.42999	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	919.5231
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	1.3
69.03431	3.2
69.07079	0.6
69.31337	0.3
71.01364	0.6
71.05017	0.5
71.08643	1.1
73.02921	2.8
79.05515	1.1
81.03422	1.9
81.07062	1.4
83.04997	0.3
83.08646	0.8
85.02905	4.2
85.03371	0.3
85.10213	0.8
91.03960	2.2
91.05499	0.7
93.07061	0.6
95.04982	0.4
95.08601	1.4
97.02892	4.2
97.03434	0.4
97.06554	0.3
97.10204	0.3
98.23372	0.6
99.04494	0.9
101.02400	1.3
105.07091	0.5
106.97427	0.3
107.08614	0.4
109.02860	0.4
109.10133	0.5
115.03965	0.3
119.08599	0.3
121.10186	0.8
127.03930	1.5
145.05005	0.4
149.09680	0.3
157.10202	0.3
185.04257	0.7
193.12355	0.3
203.05354	0.4
243.08446	1.2
283.15213	2.1
313.27472	0.5
347.09692	1.4
347.72351	0.3
363.09085	0.4
365.10751	0.8
405.13690	4.0
406.14459	0.3
418.97400	0.3
497.30872	4.3
498.31412	0.3
501.23102	2.7
659.36151	7.7
660.36365	0.9
663.28296	2.7
664.29059	0.4
757.47101	1.4
809.62012	0.3
919.52264	100.0
920.52612	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	920.5212
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	6.2
67.05505	98.8
67.95666	2.6
69.03422	9.4
69.07068	23.4
71.04984	6.6
73.02913	8.7
79.05490	73.5
81.03411	12.2
81.07053	92.6
81.96886	2.3
82.17963	2.7
83.04978	22.1
83.08613	14.8
85.02906	29.1
85.06550	5.8
91.03961	14.2
91.05481	58.4
92.79190	2.5
93.07040	72.3
94.07359	3.7
95.04971	19.4
95.08605	57.7
97.02895	22.2
97.06541	9.5
97.10176	5.8
99.04440	5.9
99.47729	2.7
105.07027	31.5
107.04945	17.2
107.08591	43.2
109.02880	6.0
109.06491	5.6
109.10154	28.9
111.04424	17.3
111.08105	4.1
111.59721	2.9
115.03858	2.7
117.07003	27.2
119.08572	29.4
121.06538	5.8
121.10140	32.2
123.04455	2.9
123.08089	6.7
123.11725	9.3
125.09624	4.8
127.03879	5.6
129.06982	8.7
131.08546	21.3
133.06413	2.5
133.10118	24.6
135.08046	4.4
135.11691	31.5
137.09648	5.7
143.08539	8.4
145.04985	5.6
145.06511	5.6
145.10118	29.7
147.08080	4.3
147.11652	14.6
149.09593	4.9
149.13290	7.5
151.11154	5.7
155.08621	4.7
157.10144	4.7
159.11661	12.5
161.09641	4.3
161.13251	6.2
163.06071	4.0
163.11160	25.6
163.14803	5.3
171.11641	4.0
173.09634	13.4
173.11826	2.4
173.13254	9.8
175.14899	3.4
181.12300	3.2
185.13234	3.5
187.14769	4.1
191.10695	9.8
199.14842	3.3
209.11725	28.0
227.12820	6.7
243.21103	6.7
253.14348	5.3
259.20673	5.2
261.22049	16.7
283.15399	100.0
284.15714	4.7
299.14993	3.0
333.24277	4.2
335.21738	5.4
335.25787	92.2
336.26135	11.0
401.62482	2.7
423.32391	3.9
428.77966	2.9
433.30734	5.6
451.32083	17.1
469.33005	11.0
515.37750	3.2
525.35925	23.8
543.36768	96.9
544.36877	12.9
561.37885	17.3
737.15088	2.8
920.48578	18.4
921.45813	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	6.6
67.05508	75.0
69.03428	6.1
69.07076	17.4
69.70566	7.4
71.04996	6.4
73.02921	3.9
74.70300	1.7
79.05495	65.1
81.03423	10.3
81.07057	73.8
83.04983	16.9
83.08639	14.6
85.02909	22.7
85.06540	3.2
91.03967	11.6
91.05483	47.4
93.07048	67.0
95.04976	13.4
95.08610	52.5
96.75687	1.7
97.02891	15.3
97.06554	9.8
97.10185	3.5
99.04452	5.1
99.08105	2.0
103.05447	2.4
105.04458	2.6
105.07033	26.4
107.04959	13.0
107.08607	38.6
109.02897	2.6
109.06499	5.9
109.10167	24.9
111.04444	18.2
117.07014	19.4
119.08588	24.4
121.06485	4.3
121.10146	31.6
123.08078	3.7
123.11691	6.6
125.09605	3.4
127.03907	6.3
129.07018	6.2
131.04979	2.1
131.08563	21.2
133.10149	20.6
135.08072	4.6
135.11696	25.8
138.87627	1.6
139.60532	1.8
143.08557	5.3
145.04938	4.2
145.06538	3.1
145.10135	28.0
147.08041	4.7
147.11714	8.8
149.09593	3.3
149.13301	10.4
151.11148	3.8
153.12743	2.5
155.08571	4.5
157.10130	2.5
159.11719	9.2
161.13271	6.0
163.06017	5.3
163.11208	19.9
163.14874	3.9
169.10170	2.5
171.11667	2.9
173.09660	7.5
173.13287	6.3
175.14784	3.7
181.12250	4.0
184.07321	2.0
185.09644	2.5
185.13235	2.6
187.11272	2.3
187.14870	4.5
191.10689	7.7
195.11795	2.3
197.13211	1.9
199.14906	2.0
209.11662	24.4
209.13232	2.4
211.13275	2.2
213.12735	2.4
227.12761	10.1
243.21111	6.0
253.14369	4.9
259.20697	2.3
261.22119	17.1
273.22244	2.6
277.21619	1.7
283.15411	78.4
284.15771	3.0
285.16974	2.1
291.23462	2.2
299.14853	1.8
301.16412	12.0
317.24823	4.8
333.24332	2.2
335.25821	89.2
336.26184	6.3
344.26581	2.2
433.31042	8.0
451.32071	10.5
469.33246	10.8
487.33972	2.5
507.34839	2.9
515.37299	1.9
525.35681	22.3
543.36798	100.0
544.36987	10.4
561.37762	23.9
562.38202	2.4
566.32623	1.9
680.36017	1.9
782.32721	1.8
920.49847	7.5
921.49371	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	920.5352
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	3.1
67.05503	35.7
69.03426	7.5
69.07072	9.2
71.04991	4.6
73.02957	1.3
79.05491	58.3
80.05827	1.4
81.03421	16.4
81.07053	39.7
83.01348	7.9
83.04977	10.2
83.08617	9.2
85.02901	9.2
85.06551	2.7
91.05477	61.3
93.07042	50.8
95.04977	8.3
95.08604	25.3
97.02893	6.6
97.06541	3.5
97.10166	3.5
99.04437	2.8
105.04505	1.4
105.07027	19.2
107.04966	7.8
107.08591	38.2
108.04491	2.2
108.08937	1.1
109.02884	2.4
109.06522	7.1
109.10144	8.6
111.04442	3.7
111.08062	2.6
111.84936	1.1
115.05447	4.3
117.07018	39.0
119.08576	17.4
119.09359	1.8
121.06519	3.2
121.10136	17.2
123.04417	1.3
123.08041	6.7
123.11680	3.4
125.09647	2.9
127.03919	5.1
129.07014	2.4
130.07771	1.4
131.08569	10.5
133.06476	1.3
133.10118	7.0
135.08051	38.3
135.11685	13.5
137.09584	3.0
143.08533	1.7
145.04996	1.4
145.06451	1.6
145.10117	16.2
147.08080	1.2
147.11723	5.5
149.13232	4.5
153.09137	1.1
153.12781	2.2
155.08652	1.5
157.10155	1.6
159.11676	6.6
161.13254	4.4
163.07565	6.5
163.11189	17.3
163.14833	1.8
171.11673	1.1
173.09645	3.3
173.13258	4.7
175.14769	1.7
177.12646	1.7
181.08607	1.8
181.12233	2.5
185.13144	1.4
187.14796	1.8
191.10634	3.1
199.09636	2.6
209.11710	8.2
213.12700	1.1
227.12712	8.3
229.02461	1.1
230.11234	1.1
233.18991	1.4
233.22563	1.6
237.10991	1.4
243.21054	2.0
255.12270	90.8
256.12616	3.9
259.20474	2.2
261.22122	11.9
277.21512	1.6
283.15384	100.0
284.15637	6.1
297.16946	5.4
299.14890	1.0
303.23383	1.3
307.22736	2.9
311.47968	1.2
315.23114	1.2
335.25641	4.2
339.28882	3.7
351.23361	1.5
353.16248	2.2
369.23956	1.4
387.25027	1.7
405.26303	1.3
463.23227	69.0
464.23602	4.3
467.94171	1.0
472.09390	1.1
491.26254	1.9
515.33478	4.1
561.41217	3.4
565.42883	1.1
615.91626	1.1
765.44781	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5358
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	3.0
67.05507	40.3
69.03432	12.9
69.07071	9.3
71.01366	2.4
71.04996	7.1
78.45256	0.8
79.05496	55.5
81.02934	1.0
81.03421	26.8
81.07059	40.6
83.01344	18.0
83.04989	18.2
83.08622	21.0
85.02903	15.7
85.03377	1.4
85.06547	3.1
87.04498	1.0
91.05480	35.4
92.24784	1.1
93.07044	65.4
94.07415	1.2
95.04970	12.9
95.08606	23.5
97.02892	10.8
97.06535	7.8
97.10159	2.5
99.04456	7.5
99.08092	2.4
103.05464	1.9
105.04538	1.8
105.07033	22.7
105.07674	1.6
107.04950	12.9
107.08593	29.7
108.04484	1.9
109.02888	10.0
109.06533	11.1
109.10173	7.9
110.10500	0.9
111.04463	4.7
111.08103	2.1
115.05450	1.4
116.06219	1.3
117.07023	18.5
119.08580	18.1
121.06510	6.3
121.10142	26.4
123.04470	0.9
123.08085	13.5
123.11708	2.8
124.08427	0.9
125.06002	2.0
125.09650	4.2
127.03921	17.0
129.05502	1.1
129.07018	4.0
130.07820	2.5
131.04877	1.5
131.08582	14.5
133.10144	10.4
135.08037	3.7
135.11690	32.8
135.12689	1.9
136.12036	1.6
137.09613	3.5
139.07518	1.3
143.08601	1.4
145.04991	3.3
145.06470	1.8
145.10126	30.0
147.08035	4.0
147.11678	5.3
149.09569	1.5
149.13271	6.8
151.11211	1.7
153.12730	5.3
155.08585	3.4
159.11710	6.0
161.13333	1.4
163.11186	47.4
164.11607	1.9
173.09616	6.0
173.13260	4.5
181.12242	6.8
187.14816	1.3
189.11215	1.8
191.10652	7.3
205.19557	1.8
208.48126	0.9
209.11739	34.0
215.17958	17.3
227.12773	28.1
231.17447	1.2
233.18994	15.6
251.19971	1.0
271.20547	2.2
283.15405	100.0
284.15741	5.4
289.21603	2.2
293.75064	1.0
307.22675	51.5
308.22949	3.0
311.14883	1.9
353.15955	22.8
354.16391	1.9
371.16974	5.2
401.46350	1.0
423.28732	1.9
441.29688	1.2
491.26462	14.6
497.32578	1.0
515.33655	33.8
516.33740	3.5
533.35175	1.2
547.42572	0.8
643.86774	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5945
Annotation	Unknow
Peak:m/z	Relative Intensity
65.96343	0.7
67.05510	4.9
69.03439	1.4
69.07063	4.4
71.04994	1.1
71.08631	1.4
71.24943	0.8
71.29549	0.9
73.02923	1.3
79.05488	7.1
80.10459	0.7
81.03416	5.9
81.07050	6.7
83.01340	3.2
83.04991	4.8
83.08621	8.4
85.02895	4.2
85.10171	1.2
91.03956	2.7
91.05454	5.0
93.07049	10.1
95.04966	2.5
95.08609	3.1
97.02871	3.7
97.06513	1.7
97.10172	2.4
99.04425	2.0
105.07045	2.7
107.04961	5.0
107.08598	5.5
109.06528	1.5
109.10134	1.3
111.04421	1.4
111.10989	0.8
111.11725	2.4
117.07046	2.6
119.08601	3.5
121.06527	1.0
121.10107	3.9
123.08067	3.4
125.09678	1.2
125.13310	1.0
127.03916	1.4
129.07021	1.5
131.08640	1.7
132.08746	0.8
133.10146	1.2
135.08018	0.9
135.11694	6.0
145.04965	1.5
145.10121	6.1
147.08031	1.0
153.12740	3.7
155.08540	0.9
163.05986	2.4
163.11182	15.5
173.09628	1.9
178.44432	0.8
181.12172	4.2
191.10727	2.9
209.11749	6.4
227.12756	7.9
254.90295	0.8
283.15399	100.0
284.15768	2.8
291.99902	0.8
301.16458	3.1
349.43127	1.0
445.20407	2.7
515.37177	1.2
534.76099	0.8
910.05225	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.4453
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	2.5
69.03428	3.2
69.07066	1.8
69.85428	0.3
71.01360	0.5
71.04991	0.7
73.02919	2.7
77.18806	0.3
79.05492	2.8
81.03422	2.0
81.07056	3.5
83.04984	0.8
83.08625	1.0
85.02907	5.0
85.06558	0.4
91.03963	2.2
91.05475	3.1
93.07036	2.5
95.01330	0.4
95.04988	0.6
95.08608	1.7
97.02889	5.0
97.06559	1.1
99.04485	0.9
101.02372	1.4
105.07028	3.2
106.43945	0.3
107.04990	1.0
107.08618	0.9
109.02909	0.8
109.06525	0.5
109.10176	0.8
117.07024	0.9
119.08611	1.4
121.06557	0.5
121.10170	0.9
123.08044	0.4
127.03945	1.6
131.08566	1.0
132.57083	0.3
133.10109	1.7
135.08075	0.3
135.11700	1.0
145.05046	0.4
145.10162	1.6
147.11743	0.9
149.09659	0.8
159.11693	0.7
163.11165	1.7
173.13365	0.4
177.12799	0.4
179.14398	0.5
184.07391	0.4
185.04282	0.9
201.03824	0.4
203.05357	0.8
227.12918	0.3
243.08405	2.8
249.11082	0.3
253.14870	0.3
275.20059	0.4
283.15408	0.4
315.19437	1.6
319.01697	0.4
347.09448	1.6
363.08932	0.5
365.10538	0.5
371.22098	1.3
405.13647	4.5
406.14203	0.5
447.18179	0.3
467.18802	4.7
468.19205	0.6
520.29883	0.3
533.27191	5.9
534.27887	0.4
629.24243	4.0
695.32489	5.0
696.32678	0.9
759.38184	1.7
921.44440	100.0
922.44818	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	921.4453
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	2.5
69.03428	3.2
69.07066	1.8
69.85428	0.3
71.01360	0.5
71.04991	0.7
73.02919	2.7
77.18806	0.3
79.05492	2.8
81.03422	2.0
81.07056	3.5
83.04984	0.8
83.08625	1.0
85.02907	5.0
85.06558	0.4
91.03963	2.2
91.05475	3.1
93.07036	2.5
95.01330	0.4
95.04988	0.6
95.08608	1.7
97.02889	5.0
97.06559	1.1
99.04485	0.9
101.02372	1.4
105.07028	3.2
106.43945	0.3
107.04990	1.0
107.08618	0.9
109.02909	0.8
109.06525	0.5
109.10176	0.8
117.07024	0.9
119.08611	1.4
121.06557	0.5
121.10170	0.9
123.08044	0.4
127.03945	1.6
131.08566	1.0
132.57083	0.3
133.10109	1.7
135.08075	0.3
135.11700	1.0
145.05046	0.4
145.10162	1.6
147.11743	0.9
149.09659	0.8
159.11693	0.7
163.11165	1.7
173.13365	0.4
177.12799	0.4
179.14398	0.5
184.07391	0.4
185.04282	0.9
201.03824	0.4
203.05357	0.8
227.12918	0.3
243.08405	2.8
249.11082	0.3
253.14870	0.3
275.20059	0.4
283.15408	0.4
315.19437	1.6
319.01697	0.4
347.09448	1.6
363.08932	0.5
365.10538	0.5
371.22098	1.3
405.13647	4.5
406.14203	0.5
447.18179	0.3
467.18802	4.7
468.19205	0.6
520.29883	0.3
533.27191	5.9
534.27887	0.4
629.24243	4.0
695.32489	5.0
696.32678	0.9
759.38184	1.7
921.44440	100.0
922.44818	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	921.4815
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03955	0.5
66.42619	0.4
67.05505	6.6
69.03426	3.5
69.07086	1.3
70.32428	0.9
70.32766	0.7
71.01370	1.4
71.05010	1.3
73.02914	3.6
79.05492	7.9
81.03432	3.5
81.07068	5.7
83.01372	0.9
83.04996	2.1
83.08643	1.8
85.02908	5.8
91.03951	2.6
91.05482	6.1
93.07045	6.5
95.04986	1.8
95.08609	4.6
97.02904	5.6
97.06567	1.2
97.10178	0.8
99.04465	1.1
101.02394	2.0
105.07048	5.1
107.04971	1.7
107.08581	3.4
108.08981	0.5
109.02896	1.5
109.06536	1.0
109.10202	1.4
111.04446	0.9
111.08125	0.6
117.07018	2.2
119.08564	4.0
121.10155	3.2
123.08099	1.4
125.09727	0.5
127.03973	1.9
129.07056	1.9
131.08620	2.0
133.06554	0.8
133.10101	2.8
135.08119	0.6
135.11658	2.6
137.09708	0.5
145.04971	0.6
145.10135	3.2
147.11761	1.9
151.07613	0.6
155.08487	0.8
157.10194	1.0
159.11775	0.7
161.13322	1.1
163.11189	2.9
171.11758	1.4
173.09735	0.8
181.12238	0.7
185.04289	0.9
191.10745	0.5
201.03708	0.6
203.05342	1.5
209.11832	1.4
227.12900	0.9
243.08400	2.3
247.13107	1.1
259.08023	0.7
267.15842	0.7
269.17508	0.5
283.15356	7.0
284.15927	1.2
309.16913	4.4
315.10785	0.5
335.26050	2.0
336.26233	1.1
339.60684	0.5
347.09439	2.8
353.16016	1.4
363.08963	1.0
365.10831	0.9
371.16733	0.5
389.94992	0.5
405.13660	5.1
465.20944	6.7
491.26593	0.6
517.27893	3.6
535.16571	0.6
535.28363	2.8
543.37042	1.1
544.37305	2.0
545.38971	0.7
562.37555	0.5
627.26251	6.1
628.27148	0.9
697.34125	4.8
699.28162	1.0
759.42981	1.0
921.48145	100.0
922.48376	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.5019
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	3.2
69.03422	4.1
69.07071	1.3
71.01345	0.9
71.05002	0.8
71.08636	1.5
71.29632	0.5
71.30015	0.4
73.02919	3.9
79.05487	2.6
81.03402	2.5
81.07047	3.2
83.04990	1.2
83.08645	1.0
83.66398	0.3
85.02905	7.0
85.03378	0.6
85.10189	1.1
86.03274	0.4
91.03954	3.7
91.05487	1.4
93.07059	2.1
95.05032	0.6
95.08591	2.8
97.02888	6.9
97.10205	1.0
99.04470	1.2
101.02371	2.2
103.03961	0.5
105.07066	1.1
107.04952	0.5
107.08573	0.7
109.02912	0.9
109.10181	1.4
115.03994	0.6
119.08639	0.9
121.10156	1.4
127.03911	2.1
127.04822	0.3
131.08519	0.4
133.10149	0.7
135.11745	0.8
145.04985	0.5
145.10194	0.7
148.28000	0.3
163.11194	0.7
166.85919	0.3
179.14452	0.3
184.07428	0.7
185.04292	1.0
203.05354	0.6
225.11020	0.5
239.92369	0.4
243.08453	2.3
248.39955	0.4
261.86206	0.4
267.12097	0.7
283.15402	0.5
285.13199	1.2
301.16492	0.8
313.27563	1.4
335.25983	1.0
336.26224	0.6
347.09390	2.4
363.09137	0.6
365.10660	0.9
405.13629	5.4
443.18625	0.5
457.21262	0.6
485.20132	2.4
497.30832	7.0
544.37433	0.5
605.24634	0.7
647.25305	2.2
659.36121	10.2
660.37195	0.9
665.26196	1.4
741.43958	1.3
861.48596	0.7
903.49072	9.4
904.49103	1.1
921.50146	100.0
922.50415	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	922.5511
Annotation	Unknow
Peak:m/z	Relative Intensity
64.38785	0.8
65.03934	0.8
67.05502	29.2
68.97295	4.3
68.97717	2.5
69.03419	7.0
69.07066	10.7
71.01363	1.1
71.04992	4.5
71.08618	1.0
79.05491	25.1
81.03423	18.6
81.07056	38.0
83.01335	8.9
83.04977	11.1
83.08616	15.6
83.93225	0.7
83.96217	0.8
85.02905	10.0
85.06526	2.1
91.05476	20.2
91.06012	1.4
93.07042	29.7
95.04961	7.1
95.08605	18.7
97.02893	7.1
97.06522	5.2
97.10174	2.8
99.04461	3.3
99.08089	1.5
105.07034	13.1
107.04955	8.4
107.08598	14.0
108.04479	1.5
109.02884	5.9
109.06510	5.9
109.10152	6.4
111.04464	3.0
111.08093	2.2
113.09656	1.6
117.07009	8.9
119.08591	11.8
121.06520	3.2
121.10139	11.6
123.08070	9.6
123.11737	2.9
125.06030	1.6
125.09608	1.9
127.03926	11.6
127.11165	1.7
129.07007	2.4
130.07767	1.6
131.08585	4.1
133.10135	4.8
135.08070	2.1
135.11688	16.5
137.09598	1.3
137.13284	2.5
137.17604	0.8
139.07635	0.9
139.11221	1.2
145.04959	3.0
145.06503	0.9
145.10130	14.2
147.08041	2.2
147.11688	2.5
149.09671	1.2
149.13229	1.1
151.14842	0.8
152.51778	0.7
153.12723	3.5
155.08569	1.9
161.13264	2.2
163.11183	30.5
163.14835	0.9
164.11499	0.9
171.11674	0.9
173.09653	3.1
175.14868	0.8
181.12219	3.6
189.11240	0.8
191.10648	4.6
209.11729	23.2
217.19502	7.3
227.12773	19.2
235.20566	8.3
236.20892	0.8
249.18504	0.8
251.16467	1.3
281.13855	1.0
283.15390	100.0
284.15771	3.8
309.24219	46.0
310.24570	1.9
313.27380	1.1
329.28030	0.8
353.15936	15.1
354.15979	1.1
355.43274	0.7
371.16931	3.5
379.24643	0.8
397.25882	0.9
432.95291	0.8
450.73782	0.8
491.26422	16.2
492.27069	1.0
510.88702	0.9
517.35248	39.0
518.35583	4.1
563.42981	1.1
709.20258	0.8
748.66821	1.0
949.95935	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	1.8
68.05834	0.7
69.07056	0.9
79.05497	1.3
81.03412	1.1
81.07051	2.0
82.07399	0.6
83.04997	0.8
85.02906	0.7
91.05498	1.0
92.61592	0.5
93.64924	0.5
95.08619	1.2
107.08596	0.5
109.10199	0.6
119.08522	0.6
125.68779	0.6
135.11809	0.5
145.10133	0.5
161.09558	0.6
167.04704	0.4
203.86130	0.5
222.27151	0.4
245.35771	0.5
249.60107	0.6
283.15753	0.8
284.15729	0.6
317.18066	0.6
336.72903	0.5
337.27307	0.8
338.27698	0.6
378.30304	0.6
546.38080	0.6
556.40234	0.6
575.81567	0.6
697.31635	1.8
832.46960	0.8
833.48035	1.8
923.43951	100.0
924.44293	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	923.439
Annotation	Unknow
Peak:m/z	Relative Intensity
65.97718	0.6
67.05510	1.9
69.07074	0.8
69.58057	0.5
70.96885	0.5
71.29688	0.8
77.46278	0.5
79.05500	1.4
81.03386	0.7
81.07076	2.1
83.04968	0.5
85.02936	1.0
91.05502	1.2
93.07067	1.1
95.08636	0.7
97.02897	0.9
99.93964	0.5
105.07034	0.9
107.08630	1.0
109.10172	0.8
113.28466	0.6
114.03156	0.5
127.24519	0.5
127.36388	0.5
128.04398	0.5
184.07394	0.8
242.56885	0.5
283.69238	0.6
317.18024	0.6
337.26749	0.6
545.37988	0.7
546.39032	0.8
564.39252	0.6
645.20612	0.6
647.25592	0.6
697.31946	2.2
716.98853	0.5
833.47650	2.2
923.43945	100.0
924.44189	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	923.4603
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	1.8
69.03429	3.9
69.05971	3.4
69.07066	0.7
70.31281	0.3
71.01356	0.6
71.05003	0.5
73.02920	3.3
75.93623	0.3
79.05495	2.7
81.03441	1.4
81.07056	2.4
83.05007	0.5
83.08658	0.6
85.02909	5.0
87.04468	0.4
87.72694	0.3
88.60138	0.3
91.03959	2.6
91.05494	2.4
93.07066	2.6
95.05008	0.9
95.08624	1.4
97.02897	5.3
97.06501	0.4
99.04463	0.7
101.02409	1.7
103.03960	0.3
103.69966	0.3
105.07030	1.6
107.08630	1.3
109.02883	0.6
109.10143	0.4
115.03951	0.6
115.95032	0.3
117.07049	0.7
119.08627	1.4
121.10183	1.1
127.03999	1.5
129.07059	0.3
131.08586	0.8
133.10170	1.4
135.11725	0.5
143.08598	0.4
145.10179	1.0
147.11707	0.8
159.11838	0.4
163.11235	0.8
185.04311	0.9
203.05415	1.0
221.59088	0.3
227.65601	0.3
243.08418	2.4
249.11218	0.4
259.08069	0.4
259.20584	0.3
301.09164	0.7
305.13492	0.4
315.10696	0.3
347.09567	2.7
363.09033	1.2
365.10599	0.6
379.01950	0.4
405.13693	5.6
463.14404	1.0
465.20929	0.9
467.18967	2.8
476.29282	0.4
535.28668	2.5
536.29266	0.6
556.90137	0.3
559.24060	0.5
627.26733	0.7
629.24005	3.6
697.33832	5.7
698.35461	0.4
701.26410	0.6
711.91571	0.4
761.41095	1.4
857.37793	0.4
923.46063	100.0
924.46381	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	924.5673
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	1.1
67.05178	1.3
67.05506	15.6
69.03430	7.5
69.07072	11.0
71.01359	1.8
71.05001	3.8
71.08630	1.7
71.24955	0.7
77.52805	0.7
79.05492	20.6
81.02983	1.4
81.03419	15.4
81.07055	26.0
83.01346	7.9
83.04987	9.9
83.08617	18.2
85.02903	7.6
85.06551	1.0
85.47276	0.7
91.05481	14.4
93.07043	23.8
95.04969	6.7
95.08605	13.4
97.02889	7.7
97.06530	4.8
97.10190	3.8
99.04447	4.5
105.04516	0.9
105.07030	8.0
107.04957	6.8
107.07948	1.3
107.08597	13.8
108.04482	1.1
109.02874	5.9
109.06508	6.3
109.10134	4.2
111.04439	3.3
111.08080	1.8
111.11731	1.1
113.09648	0.8
117.07019	7.7
119.08566	7.7
121.06484	2.7
121.10146	15.3
123.04339	0.8
123.08059	7.4
123.11681	1.9
125.05958	1.3
125.09618	2.3
127.03918	10.0
130.07774	1.3
131.08565	2.8
133.10207	1.4
135.08061	1.9
135.11703	14.2
137.13260	1.1
139.07445	0.9
139.11166	1.0
143.08553	1.4
145.05005	1.6
145.10130	13.6
146.12059	0.9
147.08023	2.1
147.11572	0.8
153.12730	2.1
155.08569	1.5
163.11174	27.6
173.09572	3.6
180.19022	0.7
181.12247	4.4
191.10605	3.7
209.09702	1.0
209.11710	19.0
219.21068	2.0
227.12758	15.8
237.22096	4.2
248.51465	0.8
281.14020	1.0
283.15399	100.0
284.15729	2.9
311.15204	1.2
311.25775	43.8
312.26016	1.8
326.21625	0.9
353.15924	13.6
363.25525	1.2
371.16998	3.3
377.71393	0.8
381.26486	1.6
399.27448	1.3
491.19730	1.1
491.26413	14.9
492.26337	0.9
519.36829	33.8
520.37048	2.8
952.35663	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.4759
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	5.5
69.03423	5.3
69.07092	1.3
69.48197	3.1
71.05012	0.9
73.02910	3.7
73.60074	0.6
74.91279	0.6
79.05500	4.8
81.03400	3.0
81.07060	4.6
82.77130	0.6
83.04984	1.1
83.08653	1.0
85.02896	6.9
91.03511	0.8
91.03955	4.4
91.05487	4.6
93.07039	5.0
93.44374	0.5
94.96789	0.6
95.04974	1.8
95.08646	2.6
97.02896	6.7
98.23266	1.0
99.04475	1.4
101.02397	1.9
101.21864	0.6
105.07050	2.6
107.08585	3.1
109.02913	0.8
109.10207	1.4
117.07082	0.7
118.69192	0.6
119.08604	1.4
121.10165	1.8
127.03954	2.2
129.05516	0.8
133.10103	0.6
135.08118	1.2
135.11734	1.9
145.10159	1.5
149.09743	0.6
163.11208	1.2
185.04288	0.9
202.71495	0.6
203.05428	0.7
243.08551	1.7
267.12256	0.6
283.15427	0.9
335.26035	0.8
336.25620	0.7
347.09689	2.2
405.13608	4.0
467.18799	3.7
519.29138	4.5
629.24506	1.2
647.25598	1.8
681.34497	8.3
745.42102	0.7
892.59052	0.7
907.46460	11.5
908.46906	1.4
925.47552	100.0
926.47827	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	926.5671
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03957	1.4
67.05506	46.9
69.03445	2.0
69.07070	8.1
71.05000	2.5
71.08633	15.4
73.02911	1.8
79.05495	10.6
80.05826	1.0
81.03410	7.5
81.07057	20.5
83.04987	3.2
83.08620	10.3
85.02907	8.1
85.06561	1.6
85.10183	10.0
86.03238	0.8
87.04457	0.9
89.06027	0.9
91.03986	2.2
91.05474	9.8
91.05924	0.8
93.07037	9.4
95.04978	4.5
95.08606	17.2
95.09160	1.4
97.02911	5.8
97.06540	1.7
97.10182	4.4
99.04459	1.6
105.07043	4.3
107.04940	5.2
107.08590	3.9
109.02901	1.9
109.06535	3.1
109.10158	39.8
110.10578	0.9
111.04491	1.2
111.08118	2.6
111.11753	0.9
117.07046	3.6
119.08618	4.3
121.06523	2.7
121.10190	2.0
123.04472	0.9
123.08094	2.3
123.11749	2.5
127.03936	1.8
131.08598	3.6
133.10158	1.7
135.11690	1.9
137.09688	2.6
137.13275	2.1
141.07083	1.0
145.06531	1.3
145.10081	3.7
149.13335	1.1
155.10736	2.0
159.08044	0.8
159.11734	3.0
163.06058	1.3
163.11238	2.0
169.10255	1.8
173.09677	0.7
173.10295	1.1
173.11739	11.5
187.11252	2.8
205.12274	1.8
223.13303	5.1
229.14349	59.8
230.14774	2.3
237.14963	1.1
239.23814	1.8
241.14240	0.8
257.24854	1.0
279.15955	5.0
283.15765	0.8
297.16943	22.5
298.17737	0.9
313.27359	100.0
314.27725	6.6
315.18198	0.8
355.78156	0.8
373.18808	1.1
467.37314	91.0
468.37686	9.3
490.71771	1.3
517.39020	3.6
528.40948	0.8
535.39941	21.1
536.40283	2.3
549.41895	1.2
553.41235	3.3
676.30634	1.0
699.37219	1.6
700.37726	3.4
926.49469	53.1
927.49725	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	926.5831
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	0.6
67.05505	10.2
68.20238	0.3
69.03432	4.3
69.07067	5.3
71.01363	0.7
71.04984	1.5
71.08633	12.3
73.02911	0.4
74.78213	0.3
79.05061	0.6
79.05492	8.4
81.03419	8.3
81.07056	15.8
83.01339	4.2
83.04982	5.6
83.08623	10.9
83.09119	0.7
85.02905	8.1
85.06520	0.9
85.10182	6.0
91.05482	5.8
93.07043	11.8
95.04973	3.2
95.08607	16.0
97.02882	4.9
97.06522	1.7
97.10186	3.0
98.23418	0.6
99.04440	2.7
105.07041	4.2
107.04964	4.3
107.08599	6.2
108.04491	0.7
109.02877	2.6
109.06529	3.4
109.10152	6.4
111.04440	1.5
111.08081	0.8
111.11737	0.8
117.07024	3.9
119.08581	4.6
121.06525	1.3
121.10166	4.0
123.08075	3.9
123.11716	2.3
125.05981	1.2
125.09619	0.6
125.13252	0.5
127.03916	4.5
129.06960	0.5
130.07800	0.6
131.04919	0.4
131.08556	1.6
133.10161	1.0
135.08052	0.9
135.11697	6.7
137.09612	0.6
137.13260	1.2
143.08492	0.5
144.13480	0.3
145.04974	3.0
145.06496	0.7
145.10120	8.6
147.08044	1.0
149.06053	0.4
149.09544	0.6
151.14818	0.4
152.47232	0.4
153.12778	1.7
155.08542	0.6
163.11189	14.2
173.09612	1.9
181.12238	1.7
191.10669	1.8
209.11736	4.4
227.12769	4.2
228.91768	0.4
239.23695	11.9
257.24765	0.8
283.15396	100.0
284.15750	3.5
313.27350	0.8
383.27975	6.3
384.28537	0.5
401.28931	4.8
402.29245	0.7
473.25223	0.4
491.26382	41.2
492.26746	3.0
521.38214	1.4
908.48889	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.583
Annotation	Unknow
Peak:m/z	Relative Intensity
65.19658	1.6
67.05506	90.3
69.00052	3.8
69.00478	10.0
69.03424	4.6
69.07068	20.1
71.05001	4.9
71.08632	2.9
73.02922	5.4
78.51872	1.5
79.05495	73.4
79.27468	1.6
81.03439	4.5
81.07059	90.0
82.07420	1.8
83.04966	3.9
83.08627	10.6
85.02908	33.3
85.06540	5.4
85.10201	2.3
87.04482	2.3
91.03958	25.4
91.05481	42.4
93.07045	77.5
95.04984	8.5
95.08607	66.2
97.02879	15.9
97.06541	5.9
97.10188	3.5
99.04448	2.7
99.08080	2.3
105.04496	2.0
105.07024	35.8
107.08595	39.0
109.02894	2.3
109.06528	3.7
109.10151	34.6
111.08064	2.3
113.09671	2.0
115.03969	2.0
117.07001	12.7
119.08582	28.1
121.10146	42.8
123.08076	3.0
123.11709	15.2
125.09595	3.0
127.03921	9.6
129.06978	3.0
131.08574	23.4
133.10133	38.5
135.11696	35.0
137.09639	1.7
137.13248	5.7
143.08540	5.5
145.04985	12.4
145.10106	20.2
147.11691	20.5
147.22182	1.8
149.09621	2.8
149.13254	16.4
155.08647	1.7
157.10117	5.4
159.11693	17.9
161.13248	10.8
163.06010	14.0
163.11194	3.7
163.14845	5.6
171.11702	7.2
173.13242	16.0
175.14848	4.8
177.16415	3.4
185.13293	4.0
187.14842	7.2
189.16347	3.0
199.14885	3.7
201.16333	3.5
205.19450	2.8
208.41365	1.8
211.34311	1.8
213.16469	8.5
215.17966	23.0
217.19482	3.3
231.17433	10.6
233.19006	23.3
241.19489	5.7
243.21147	5.5
259.20566	8.1
261.22113	21.6
263.23874	1.9
271.20624	1.5
279.23233	1.8
283.15405	8.6
289.21713	1.6
305.21094	6.1
307.22656	92.6
308.22989	6.1
309.24243	13.0
317.24774	3.7
333.24179	7.0
335.25803	100.0
336.26205	9.2
337.27325	9.6
475.39444	2.4
491.26074	3.4
493.40387	6.2
511.41553	2.7
515.37738	3.5
567.43982	25.8
568.44202	2.4
585.45044	32.0
586.45477	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	2.3
67.05505	24.5
69.03431	9.7
69.07066	7.4
71.01356	4.3
71.04988	7.5
71.29969	1.8
73.02899	1.4
79.05489	38.3
81.02922	1.4
81.03416	39.1
81.07055	32.6
83.01344	11.0
83.04975	21.4
83.08617	13.3
85.02906	14.6
85.06548	2.7
91.05479	28.8
93.07040	47.2
95.01345	1.2
95.04958	14.9
95.08602	15.8
97.02882	14.6
97.06525	13.0
97.10155	2.3
99.04446	5.8
99.08073	1.3
103.05515	1.2
105.04505	1.0
105.07030	15.2
107.04279	2.0
107.04958	25.4
107.08592	23.4
108.04510	1.3
109.02873	11.4
109.06511	14.5
109.10140	5.6
111.04436	29.3
111.08096	5.9
113.06005	1.8
117.07027	15.6
118.07353	1.3
119.08567	16.2
121.06522	9.6
121.10133	14.5
123.04399	1.1
123.08064	15.2
125.06003	9.7
125.09605	2.7
127.03913	14.4
129.06984	5.7
130.07765	3.4
131.04906	1.7
131.08574	11.9
133.06461	1.7
133.10126	2.6
135.04420	1.5
135.08073	5.4
135.11684	25.8
137.05925	1.1
137.09627	3.4
139.07509	1.9
143.08586	2.8
143.72565	1.0
145.05022	1.1
145.06485	3.2
145.10115	35.3
147.08035	5.4
147.11682	1.7
149.09610	2.1
153.12747	10.8
155.08588	3.9
161.09601	1.3
163.11182	53.9
164.11499	1.4
167.14368	1.1
173.09618	12.3
181.12224	9.5
191.10648	17.6
195.13747	2.4
205.12256	1.1
209.11731	28.3
210.12083	1.3
223.13281	23.3
227.12791	31.2
235.40602	1.0
241.14333	59.8
242.14742	2.8
265.14310	3.2
267.16013	1.2
283.15387	100.0
284.15689	3.9
297.16992	1.9
315.18002	26.2
335.14899	2.8
353.15970	30.4
354.16122	2.2
371.16971	3.4
385.18527	7.8
391.98312	1.2
403.19647	1.2
455.24130	1.5
463.33041	1.2
473.25195	9.6
491.26404	65.7
492.26666	5.3
505.28101	1.2
523.28992	36.4
524.29340	2.7
929.43481	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.5987
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03954	5.5
67.05506	83.5
69.03441	2.9
69.07066	29.8
69.61305	8.7
69.61665	3.7
71.08631	2.4
72.64845	2.1
73.02934	3.0
75.37861	1.8
79.05495	48.0
79.05962	2.3
80.05866	2.8
81.07057	100.0
83.05021	2.3
83.08618	18.5
85.02916	23.3
85.06568	4.8
85.10225	2.8
89.59050	2.3
90.42674	1.8
91.03966	16.3
91.05473	27.3
93.07038	57.0
93.07629	2.9
95.04977	4.6
95.08605	71.1
97.02882	11.7
97.06524	4.7
97.10187	6.1
98.22626	2.6
99.08099	4.5
105.07033	20.3
105.08443	2.0
107.08598	28.1
109.06520	4.9
109.10153	25.2
111.08091	3.5
113.09676	2.8
115.03919	2.2
117.07043	6.2
119.08582	21.1
121.10159	23.5
123.11735	10.3
127.03922	4.4
131.07716	2.0
131.08559	10.1
133.10112	16.8
135.11693	17.3
137.09599	2.7
137.13255	4.1
140.46544	1.7
145.04980	5.9
145.10155	8.8
147.11668	15.9
149.09656	2.0
149.13234	13.0
150.88020	1.8
157.10152	2.2
159.11659	10.6
161.13229	10.0
163.06061	7.8
163.14845	5.6
171.11705	2.9
173.13324	10.2
175.14871	4.3
177.16364	2.4
185.13364	3.1
187.14844	5.0
215.18008	4.8
217.19640	5.0
233.18987	4.8
235.20578	3.7
243.21146	4.4
259.20557	3.8
261.22104	16.6
309.24252	62.9
309.27859	3.4
310.24481	3.8
311.25916	4.2
317.24680	4.9
333.24240	5.0
335.25803	81.5
336.26120	3.9
337.27380	5.6
408.29327	2.3
462.32733	2.3
495.41925	4.7
516.92084	2.3
569.45477	27.0
587.46686	31.5
588.47339	3.1
743.18256	2.1
848.86536	2.3
962.57068	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	930.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	0.8
67.56441	0.2
69.03426	11.1
69.33640	1.0
70.03758	0.2
71.01357	0.2
71.04978	0.5
73.02896	0.3
79.05471	0.2
80.04985	0.2
81.03415	4.5
83.04979	2.5
85.02911	2.2
85.06573	0.8
91.05476	6.3
92.05790	0.3
95.04951	0.3
97.02886	3.8
98.06018	0.2
99.00813	0.2
99.04448	2.9
101.02379	0.2
109.02872	0.9
111.04412	1.2
112.04816	0.2
113.06007	2.1
116.07093	0.2
119.04939	15.8
120.05281	0.6
121.06507	0.2
127.03913	2.8
131.04855	0.4
133.06465	0.3
141.06998	0.2
145.04961	1.5
147.04401	100.0
148.04739	3.7
151.07565	0.2
153.06958	0.3
159.04390	0.5
165.05486	1.7
165.06752	0.3
168.05634	0.2
171.08102	0.3
177.05510	0.4
181.06482	0.9
183.07970	0.2
185.05937	0.3
195.06441	0.2
197.06056	0.9
197.07777	0.2
199.07501	0.5
207.06346	0.2
209.05817	0.2
213.09030	0.3
223.07356	0.2
227.07013	8.6
228.07317	0.4
237.09180	0.3
243.04971	0.3
245.08089	2.5
249.07651	0.6
255.51500	0.2
265.08661	0.2
269.08084	0.4
291.08594	5.8
292.08948	0.6
293.08157	0.3
307.08945	0.2
309.09662	17.2
310.09961	0.9
311.09241	0.3
335.09198	0.3
351.07166	0.2
353.10181	0.3
371.11267	0.4
387.09134	0.4
389.12408	2.3
405.10153	1.2
407.13449	1.2
455.13385	2.3
456.13834	0.4
485.13242	0.3
487.16272	0.2
535.16010	0.5
577.17657	0.2
617.18469	0.7
637.95117	0.2
738.01080	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	1.1
69.03430	55.7
70.03750	0.9
70.89864	0.7
71.01357	2.4
71.04999	8.7
73.02923	4.1
81.03416	22.2
82.66025	0.6
83.01339	1.8
83.04980	10.6
85.02907	34.4
85.06535	3.0
85.81345	0.7
87.04455	1.6
89.89091	0.7
91.05479	8.6
95.04947	1.9
97.02893	27.8
98.03228	0.9
99.00829	3.0
99.04453	20.8
101.02388	1.7
103.85072	0.6
105.07043	1.1
107.04964	4.7
109.02884	12.5
111.04433	2.6
113.06005	5.8
115.03938	2.1
117.01810	0.7
119.04943	23.7
121.02853	1.2
121.06529	0.7
123.04435	1.5
127.03918	42.3
128.04298	0.9
131.04918	1.0
137.02336	1.2
141.05505	0.8
145.04961	28.3
147.04408	100.0
148.04753	2.3
161.05943	1.2
163.03986	0.7
165.05525	1.6
173.66611	0.7
177.05527	1.2
181.06474	0.9
191.08585	1.0
195.08041	0.7
207.06483	0.8
212.08340	1.2
213.09096	8.9
214.09326	0.8
215.05463	1.4
219.08066	1.6
223.07683	0.8
225.03909	1.9
225.07269	0.9
225.09128	2.1
227.07068	4.4
237.09123	6.3
243.05058	8.8
245.08006	0.9
247.07549	1.3
251.07079	0.7
253.07121	1.0
261.06067	2.8
264.79092	0.8
265.08636	5.2
291.08551	6.2
293.08066	4.9
293.11258	1.2
309.09717	18.6
310.09601	0.9
311.09177	3.3
324.23349	0.7
326.34045	0.7
345.07974	1.1
365.46222	0.8
369.08224	1.9
373.10715	2.2
387.09174	7.7
389.12280	1.9
391.11804	1.0
405.10260	27.5
406.10468	2.3
421.09109	0.7
431.83383	0.7
437.12183	1.0
455.07333	1.2
455.13419	20.1
456.13831	1.7
467.11777	1.0
473.14142	1.2
481.19031	0.9
485.12848	5.4
503.13721	1.5
535.16052	4.0
581.16479	1.3
583.16681	0.9
617.18353	2.6
697.20660	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.5635
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	38.8
69.03422	8.3
69.07067	16.5
71.04996	7.1
71.08632	32.8
71.28057	2.0
71.52299	1.3
71.76269	1.7
73.02918	3.4
79.05495	29.2
81.03421	18.8
81.07055	44.6
83.04977	10.5
83.08619	20.2
85.02916	18.0
85.06550	2.9
85.10180	20.2
89.06025	2.7
91.03960	4.9
91.05489	21.7
93.07053	31.8
95.04981	7.8
95.08606	37.4
95.09166	2.8
97.02895	19.0
97.06502	7.4
97.10180	9.3
99.04443	5.6
105.07034	10.5
107.04964	12.4
107.07943	2.2
107.08606	17.1
109.02879	4.2
109.06548	4.1
109.10156	24.1
109.10831	2.4
111.04458	22.7
111.08086	2.1
113.05980	2.9
114.14386	1.6
117.07018	8.2
119.08598	12.7
121.06504	3.9
121.10135	17.2
123.08066	3.3
123.11708	7.0
125.05939	3.9
125.09679	2.2
127.03941	6.6
129.07025	3.9
131.08554	12.0
133.10167	2.7
135.08090	1.7
135.11705	10.9
137.09616	2.4
137.13287	2.1
139.07584	1.8
139.11200	4.2
143.08478	1.7
145.05032	2.2
145.06470	2.3
145.10109	15.1
147.08093	3.6
149.09633	5.9
153.12843	3.8
155.08562	3.8
163.06020	2.0
163.11182	17.7
167.10712	3.3
173.04448	7.1
173.09599	6.0
173.11853	2.8
181.12251	4.4
184.07391	2.1
191.10706	8.9
198.14270	1.9
209.11734	70.1
213.14873	1.8
223.13333	5.3
225.27365	1.6
227.12744	19.1
239.23726	4.9
241.14310	13.8
257.24759	3.1
265.14407	10.0
283.15424	36.7
284.15744	1.6
301.16440	36.3
302.16708	2.5
313.27347	100.0
314.27695	4.9
315.17984	8.9
341.26706	2.1
355.28696	1.8
364.04465	1.7
427.19675	2.9
467.37201	6.8
479.37314	9.3
493.38748	3.7
497.38708	1.7
503.37173	7.0
511.39819	2.0
521.38354	77.3
522.38635	7.0
539.39404	31.0
540.39850	4.4
553.40985	54.0
554.41034	5.6
557.40118	4.5
571.42151	4.1
620.17975	2.0
683.43433	3.0
697.44965	3.7
930.49731	7.4
931.51001	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	930.6145
Annotation	Unknow
Peak:m/z	Relative Intensity
65.84435	2.4
66.17433	1.9
67.05507	55.7
68.11417	2.1
69.03436	3.9
69.07068	29.7
69.31705	10.3
70.75114	2.0
71.04981	3.0
71.08633	3.7
71.57324	2.1
73.02914	6.2
79.05494	30.2
81.07059	48.5
83.08631	17.2
85.02903	12.6
85.06583	2.0
91.03950	9.6
91.05488	13.8
93.07037	32.1
95.08608	42.3
97.02908	7.2
97.06554	2.6
97.10171	9.2
99.04461	2.3
99.22551	2.1
105.07041	9.5
107.08604	19.6
109.10156	19.4
111.08039	4.0
111.11723	4.1
117.07037	5.3
119.08588	9.5
120.90623	2.0
121.10138	22.6
123.11727	7.4
125.09580	2.9
127.03906	4.3
131.08546	4.9
133.10120	5.3
135.11700	13.8
145.04977	6.2
145.10098	5.3
147.11664	4.0
149.13258	7.5
159.11673	5.1
161.13249	5.6
163.06049	9.8
163.14845	3.6
168.58475	2.1
173.13306	6.9
177.16396	2.8
219.21234	3.2
237.22160	3.0
243.21089	7.2
261.22159	25.0
309.24225	5.0
311.25800	100.0
317.24860	5.8
335.25806	64.4
336.26248	3.6
337.27310	5.9
341.46341	3.0
374.19849	2.2
380.47571	2.3
568.71228	2.8
571.38629	2.8
571.47156	34.6
589.48334	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	930.6141
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.5
67.05505	63.3
69.03441	2.2
69.07066	33.6
71.04997	1.9
71.08627	4.9
72.47771	1.6
73.02922	6.4
79.05492	36.2
81.03378	1.9
81.07053	67.0
83.08613	27.9
85.02902	19.7
85.06577	2.0
91.03954	16.5
91.05466	15.7
93.07044	41.6
95.04956	2.8
95.08606	49.2
97.02894	15.1
97.06532	7.1
97.10184	9.9
99.08087	2.7
105.07030	12.3
107.08595	25.7
109.02868	1.6
109.10146	22.0
111.08096	4.9
111.11676	2.0
112.08189	2.0
117.07053	5.3
119.08573	10.6
121.10136	30.3
123.11679	9.5
125.09614	3.2
127.03938	3.0
129.04056	1.6
131.08568	7.0
133.10129	10.6
135.11682	21.9
137.13284	5.6
145.04948	3.6
145.10121	5.4
147.11688	4.5
149.13246	11.0
159.11725	5.8
161.13271	4.7
163.06052	5.1
163.14835	4.4
173.13301	4.4
175.14851	2.3
177.16379	3.2
187.14799	2.2
219.21049	2.7
233.18837	1.7
237.22141	4.0
243.21080	6.2
261.22125	28.4
309.24258	2.9
311.25775	100.0
312.26111	6.2
317.24762	5.1
335.25787	87.1
336.26120	3.6
337.27280	6.0
497.43146	3.0
570.19690	2.1
571.47150	37.2
572.47516	4.5
589.48145	14.4
691.98810	2.0
759.59283	2.0
908.44763	1.8
950.67279	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	932.484
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	1.8
65.41500	0.7
66.09129	0.8
67.05504	28.5
68.05840	0.7
69.03430	7.3
69.07069	18.6
69.99274	3.1
71.05006	4.7
73.02927	1.6
79.05492	30.0
81.02970	0.6
81.03416	12.6
81.07056	25.1
83.01329	3.9
83.04980	10.1
83.08618	13.2
85.02898	8.0
85.06538	0.9
91.03960	2.6
91.05480	23.4
93.07041	29.2
95.04966	9.8
95.08604	12.3
97.02886	12.3
97.06534	4.8
97.10170	11.2
99.04470	1.9
103.05428	1.6
105.07031	16.9
107.04957	9.1
107.08589	18.3
109.02866	1.2
109.06522	6.2
109.10153	8.1
111.04455	2.7
111.08090	2.1
115.05486	1.1
117.07021	11.2
119.08577	14.6
121.06499	4.1
121.10135	7.8
123.04472	1.4
123.08062	8.7
125.05972	1.2
125.09631	8.7
128.06204	1.5
129.07007	3.4
130.07767	1.0
131.08563	9.3
133.06532	3.3
133.10114	5.5
134.07253	1.2
135.08066	4.5
135.11702	8.4
135.26482	0.9
137.09647	2.2
139.07588	0.8
143.08592	3.3
145.05008	1.1
145.10121	14.2
147.08078	5.4
147.11728	2.6
149.09662	2.3
149.13255	1.1
151.11185	2.1
153.09065	0.8
153.12808	1.0
155.08566	1.8
157.10152	2.3
159.07979	1.0
159.11699	2.1
161.09633	2.7
163.11191	16.0
165.09140	1.5
171.11684	1.4
173.09656	3.2
175.11209	2.0
177.12752	1.7
181.12256	2.1
184.29210	0.7
189.11247	3.0
189.12773	0.9
191.08772	0.6
191.10666	1.8
195.13809	1.3
205.12277	2.1
207.13783	0.8
209.11768	4.8
223.13287	16.3
227.12793	7.0
245.18919	1.0
249.14891	2.4
253.14430	2.2
267.16061	0.8
273.18475	12.6
274.18839	1.1
275.20020	1.0
281.17804	1.1
283.15402	59.2
284.15781	2.6
291.19537	89.0
292.19901	6.1
311.20148	0.8
313.27246	1.6
333.85992	0.8
335.25934	1.0
347.22336	1.7
365.23215	38.9
366.23697	1.5
453.24973	1.6
462.32495	0.9
493.28107	4.3
555.33612	2.6
573.34186	100.0
574.34564	9.0
591.35736	0.8
670.80298	0.8
815.37714	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.5214
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	6.2
67.05508	76.4
69.03415	6.5
69.07069	23.8
71.04993	7.6
71.29941	3.7
75.40164	2.4
79.05495	100.0
81.03419	25.7
81.07058	89.0
83.04993	19.7
83.08623	18.0
85.02903	11.2
85.06551	5.0
91.03973	4.2
91.04904	3.4
91.05483	83.2
93.07045	86.6
95.04978	27.6
95.08604	41.9
97.02885	7.2
97.06513	13.7
97.10166	11.6
99.04439	3.3
105.07031	60.5
106.07347	3.0
107.04975	20.0
107.08596	46.2
109.06508	11.1
109.10152	16.6
115.05399	4.1
117.07020	21.4
119.08582	39.8
120.08910	3.2
121.10143	14.0
123.08045	9.5
123.11691	4.7
125.09618	8.4
127.03896	5.0
128.06287	3.3
129.06967	18.7
129.19621	3.0
131.08586	19.4
133.06384	3.2
133.10107	30.2
135.08000	4.9
135.11670	13.6
137.09688	2.8
141.07033	2.9
143.08615	13.4
145.10143	25.7
147.08058	5.0
147.11685	36.3
149.09608	14.8
149.13254	5.0
157.10175	2.7
159.11697	11.2
161.09651	6.3
161.13266	12.8
163.11174	19.2
169.10056	3.1
171.11667	19.6
173.13231	3.9
177.12683	3.8
188.29639	2.7
189.11226	3.0
189.12761	9.7
193.12160	3.0
207.13783	25.2
227.12805	11.0
239.17647	5.5
253.14368	6.5
257.18881	6.4
269.17426	10.0
273.18530	3.9
275.20038	31.0
276.20511	3.6
279.15775	3.1
281.14474	4.9
281.17477	76.6
282.17618	4.0
283.15399	18.5
291.19437	7.4
309.20624	2.8
313.27405	14.7
335.25803	8.2
341.43082	2.9
349.23773	23.3
365.23389	7.7
432.99350	3.3
435.27133	3.1
451.27078	6.7
461.28854	19.2
475.30579	79.8
476.30807	6.4
515.33667	6.1
537.35156	3.8
555.36865	55.5
556.37097	7.3
573.34851	8.3
573.48627	7.1
595.30646	3.3
619.35040	4.8
753.68524	3.9
932.45404	4.5
933.43488	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	932.6293
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	1.4
67.05505	36.3
69.03420	2.6
69.07062	10.2
70.53462	1.8
71.05002	1.8
71.08632	20.5
73.02911	2.9
73.35330	0.6
76.44360	0.6
79.05493	20.4
81.03426	0.9
81.07055	39.6
83.08616	9.8
85.02902	15.3
85.06561	1.3
85.10184	11.4
87.04459	0.7
89.06019	1.7
91.03949	10.4
91.05484	10.0
93.07042	25.0
95.04974	1.5
95.08603	38.7
96.08975	0.7
97.02881	7.1
97.06516	1.2
97.10169	5.3
99.04434	1.2
99.08067	1.1
103.07585	1.2
105.07024	8.9
107.08588	14.4
109.10155	19.0
111.11727	0.9
117.07011	2.3
119.08579	6.9
121.10127	11.5
123.11715	6.6
125.09648	0.9
127.03908	3.9
131.08563	7.0
133.10141	5.5
135.11684	8.6
137.13287	3.6
145.04956	4.6
145.10115	5.4
147.11674	4.7
149.13226	5.2
151.14915	1.0
159.11734	3.2
161.13257	4.1
163.06056	5.3
163.14799	3.7
173.13231	4.3
175.14926	0.9
177.16457	1.5
187.14783	3.3
198.13345	0.7
239.23653	4.5
243.21098	8.3
257.24890	2.2
261.22131	30.4
262.22559	1.5
281.40701	0.7
313.27344	100.0
314.27734	4.9
317.24756	6.0
335.25778	68.6
336.26025	2.7
337.23450	0.8
353.26990	0.7
499.45007	1.8
573.48706	35.7
574.48816	2.7
591.49939	5.6
644.28967	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.6293
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	1.2
67.05504	29.8
68.98123	2.1
68.98522	6.3
69.03412	2.5
69.07070	9.3
71.08633	20.2
73.02910	2.9
79.05491	14.2
81.03379	0.9
81.07056	34.5
82.07383	1.1
83.08620	9.1
84.29905	0.8
85.02899	11.0
85.06548	1.0
85.10175	12.2
89.06012	1.4
91.03957	8.6
91.05475	10.1
93.07043	19.6
95.04951	1.3
95.08602	32.6
97.02885	7.1
97.06561	1.5
97.10164	4.6
98.22560	1.8
103.07570	1.0
105.07027	7.3
107.08595	12.7
109.06525	1.0
109.10149	16.5
117.07006	2.8
119.08568	6.6
121.10147	11.4
123.11706	7.6
127.03905	3.9
131.08553	6.5
133.10126	6.0
135.11700	6.4
137.13277	1.8
145.04967	4.5
145.10149	4.5
147.11673	4.2
148.55098	0.9
149.13216	4.5
159.11679	5.0
161.13263	4.6
163.06053	5.2
163.14815	2.2
173.13263	3.9
175.14761	2.0
177.16397	1.0
187.14850	2.4
194.60359	1.0
221.22543	0.8
239.23637	2.8
243.21094	7.2
257.24673	2.3
261.22134	25.1
261.24707	1.8
262.22482	1.7
313.27350	100.0
314.27734	5.9
317.24667	6.2
335.25800	59.5
335.29010	0.9
336.26114	2.5
394.09363	0.9
499.44714	1.1
573.48737	34.0
574.49103	4.3
591.49866	5.7
782.44379	1.0
862.90314	1.1
921.18994	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.481
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	3.8
70.80406	1.5
71.08637	2.5
76.50257	0.6
79.05515	2.9
81.07073	4.5
83.08643	1.0
85.02924	1.6
85.10204	1.4
91.03952	1.0
91.05499	2.4
93.07073	2.1
95.08613	4.0
96.08977	0.6
97.02926	0.9
97.10164	0.8
105.07007	1.4
107.08589	2.0
109.10177	1.4
119.08607	1.1
121.10170	1.4
127.03954	0.8
133.10133	0.9
147.11697	0.9
184.07320	0.7
202.11636	0.6
241.12793	0.8
243.21103	1.2
261.22293	3.0
283.10812	0.7
289.14777	0.7
313.27353	9.8
314.27646	4.0
335.25900	5.9
336.22485	0.8
336.26270	2.7
391.32581	0.7
391.90482	0.8
431.03940	0.8
447.57132	0.7
573.48529	1.8
574.49188	2.4
675.32953	1.2
933.48102	100.0
934.48279	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	934.4999
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	4.8
67.05506	71.7
68.05843	2.3
69.03429	15.0
69.07071	26.5
69.21709	1.2
69.28087	2.4
69.28493	6.5
69.91065	1.4
71.04997	8.9
71.08649	1.7
73.02914	8.5
73.06560	1.4
77.03924	2.8
79.05492	88.3
80.05824	2.1
81.03421	33.2
81.07057	83.9
82.03716	1.4
82.07410	2.8
83.01344	12.7
83.04984	29.2
83.08625	25.3
84.08915	1.2
85.02905	32.0
85.06552	4.4
87.04484	1.6
91.03954	16.2
91.05480	100.0
92.05804	1.7
93.07046	90.7
94.07374	1.9
95.04971	25.3
95.08607	41.8
96.04475	1.6
96.53075	1.5
97.02893	27.3
97.06533	15.9
97.10179	9.3
98.09627	1.4
99.04464	5.7
99.08098	5.3
101.02389	1.6
103.05483	3.0
105.04556	3.9
105.07030	83.8
106.07378	1.7
107.04964	16.5
107.08599	54.3
108.08897	1.7
109.02909	3.9
109.06514	14.9
109.10155	24.2
110.10511	2.0
111.04458	5.1
111.08063	6.5
112.81399	1.3
113.09666	1.2
115.03929	1.6
115.05467	4.9
117.06207	2.3
117.07020	35.5
119.04886	1.4
119.08581	68.3
121.06504	8.7
121.10145	31.7
122.10465	1.6
123.04450	2.4
123.08064	14.4
123.11713	6.1
125.06023	3.7
125.09621	8.4
127.03905	10.6
128.06238	4.9
129.05533	6.2
129.06996	15.4
130.07771	2.8
131.04958	1.4
131.08568	35.3
133.06522	2.5
133.10136	46.7
134.10480	3.4
135.08075	7.2
135.11694	29.4
137.09618	6.2
139.07549	1.6
141.06987	1.7
142.07782	1.9
143.08553	12.1
145.04974	8.4
145.06467	3.1
145.10130	42.6
146.10539	1.6
147.08057	4.4
147.11691	34.1
149.09621	7.7
149.13269	12.7
151.11192	3.9
153.09143	2.4
153.12726	4.1
155.08562	3.6
157.10139	13.6
159.11694	21.2
161.09636	4.8
161.13269	16.9
163.06047	5.2
163.11194	39.6
163.14873	3.0
164.11482	2.1
165.09090	1.3
165.12807	2.0
169.01726	1.5
169.10162	5.2
171.11702	13.7
173.09651	7.5
173.11975	2.4
173.13228	9.4
173.55515	1.4
175.11191	2.6
175.14845	5.6
177.12747	3.2
179.10643	1.4
179.14253	1.8
181.10114	1.5
181.12233	6.3
183.11714	2.7
184.07390	1.7
185.13213	8.1
187.11211	2.1
187.14810	3.5
189.11229	4.7
189.12776	1.8
191.10681	3.7
193.12283	2.6
195.11778	1.3
195.13864	4.8
197.13338	2.2
199.14848	6.2
203.14249	1.3
203.36732	1.2
209.11699	12.6
209.13194	1.3
211.14981	1.8
213.16437	2.3
227.12770	18.8
229.14375	2.2
229.19554	2.8
231.21170	5.1
239.17979	3.3
241.19524	15.6
245.13792	1.8
253.14401	4.3
254.14766	2.8
257.19067	6.1
259.20566	46.8
260.21039	1.7
269.17416	16.8
273.18539	1.8
275.20050	19.3
276.20789	1.4
281.30112	1.4
283.15408	91.6
284.15787	5.9
289.53476	1.3
293.20859	2.4
297.22147	6.1
313.21567	1.7
313.27359	1.6
315.23331	6.5
331.22766	4.0
333.24252	30.0
349.23807	12.3
373.19043	1.6
421.31332	1.9
437.25266	5.0
449.30426	5.2
467.31332	3.2
477.21594	2.3
477.28455	45.7
477.35049	2.9
478.28781	2.6
485.32782	2.1
489.28479	2.1
513.36108	1.6
517.32001	2.6
523.33936	6.3
541.35205	55.9
542.35236	4.9
557.35022	7.4
559.35986	10.6
575.35065	3.7
580.34393	1.5
580.80481	1.5
612.27997	1.7
634.09436	1.6
934.43451	6.6
935.44928	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	934.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	45.7
69.03425	10.6
69.07069	26.8
70.54563	3.3
71.01373	1.6
71.04994	6.9
73.02914	2.8
75.28310	1.2
77.03944	1.3
79.05491	56.1
80.05830	1.5
81.03423	24.5
81.07054	61.8
82.12413	1.2
83.01348	8.4
83.04980	17.3
83.08614	21.6
85.02903	18.1
85.06552	3.6
89.25264	1.1
91.03973	5.2
91.05481	43.6
92.05760	1.7
93.07043	55.6
95.04974	14.0
95.08605	25.9
97.02892	10.7
97.06542	15.7
97.10161	13.3
99.04453	3.5
99.08094	3.0
105.07029	36.5
107.04961	18.2
107.07868	2.3
107.08595	43.7
108.08959	1.6
109.02888	3.2
109.06528	11.4
109.10165	11.0
111.04466	5.4
111.08082	6.5
115.05473	3.0
117.07010	22.1
119.08585	27.8
121.06497	7.3
121.10147	18.9
123.08075	11.3
123.11731	2.5
125.05993	1.8
125.09618	10.1
127.03912	4.7
129.05469	1.9
129.06984	6.4
130.07854	2.6
131.08577	17.3
133.06519	2.5
133.10141	18.0
135.08066	5.0
135.11696	19.5
137.09634	5.0
141.07028	1.6
142.07822	1.6
143.08563	4.1
145.04990	4.1
145.06459	2.7
145.10124	29.3
147.08098	3.0
147.11667	11.6
149.06018	1.4
149.09607	10.3
149.13271	7.1
151.11177	2.3
153.12756	3.0
155.08553	2.5
157.10141	4.6
159.08096	1.5
159.11728	8.6
161.09685	2.5
161.13309	3.2
163.11182	32.8
163.12494	2.4
165.12810	2.0
171.10233	1.5
171.11707	2.7
173.04515	3.3
173.09596	3.6
173.11880	2.0
173.13295	4.3
175.11201	2.2
177.12764	3.0
179.14336	3.0
181.12253	4.4
183.11754	2.7
185.13319	1.5
189.09731	1.1
189.11244	7.0
189.12764	1.6
191.10670	3.3
193.12291	1.7
195.13776	2.9
209.11670	6.9
211.13263	2.1
223.13210	1.8
227.12782	34.7
229.14229	2.8
229.19556	2.2
239.18010	3.5
247.20621	2.6
253.14612	1.6
255.15788	5.7
257.18976	9.1
259.20688	1.8
265.14301	2.4
267.16031	3.1
269.17401	13.7
273.18533	1.6
275.20065	35.4
275.23022	2.2
276.20477	1.4
283.15399	100.0
284.15802	4.3
285.17010	1.3
291.19614	4.7
293.21161	2.9
299.14929	2.4
331.22733	3.3
349.23703	38.7
365.23145	3.7
367.24829	1.8
379.21286	2.5
413.21799	2.1
437.25583	6.6
453.24902	6.1
459.27463	3.2
461.29312	2.8
463.26947	15.4
465.30136	1.5
477.28479	78.0
478.28506	6.2
517.31519	2.8
539.33716	6.6
551.74896	1.2
557.34717	65.2
558.35223	6.2
575.35870	14.3
597.28479	2.2
609.53339	1.3
621.32361	3.5
719.38818	1.8
934.44031	2.3
935.41809	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	934.5407
Annotation	Unknow
Peak:m/z	Relative Intensity
64.87698	1.2
65.03939	4.6
65.05601	1.0
67.05507	63.9
67.12984	1.0
69.03432	4.6
69.07071	32.4
71.01360	3.6
71.05002	7.5
71.08618	2.4
73.02924	3.7
79.05495	62.4
80.05840	1.1
81.03416	28.6
81.07058	58.4
83.01340	4.1
83.04981	15.6
83.08635	11.4
83.62026	1.4
85.02911	17.5
85.06547	4.0
91.03963	4.8
91.05482	40.8
93.07046	62.3
94.07363	1.6
95.01331	1.2
95.04971	14.9
95.08610	41.5
96.08954	1.4
97.02893	14.2
97.06537	16.3
97.10188	3.2
97.63337	1.2
99.04449	3.3
99.08099	1.5
103.05462	1.6
105.04542	2.3
105.06368	2.0
105.07032	23.3
107.04963	23.2
107.05690	1.3
107.08595	35.1
109.02900	3.1
109.06535	13.2
109.10166	14.7
111.04443	18.5
111.08092	3.8
113.06036	1.6
115.05499	1.6
117.07022	15.2
119.08585	22.4
119.09437	1.2
121.06505	7.0
121.10146	25.6
121.11023	1.5
123.08080	8.9
123.11702	3.4
125.05981	4.3
125.09646	4.7
127.03905	4.1
129.07018	3.8
130.07809	2.8
131.04947	1.6
131.08574	20.1
133.06500	3.1
133.10149	13.3
135.08061	6.0
135.11690	22.3
137.09610	4.0
137.13248	2.3
139.07520	1.6
143.08557	3.3
145.04938	2.2
145.06479	2.2
145.10121	26.5
146.10469	1.4
147.08055	3.9
147.11658	5.1
149.09634	12.3
149.13254	5.9
151.11151	6.6
153.12743	9.7
155.08522	2.6
157.10147	2.2
159.08020	1.8
159.11694	7.6
161.09653	1.9
161.13301	3.7
163.06020	1.7
163.09816	1.4
163.11189	28.5
163.14828	1.9
164.11635	1.6
171.10194	1.0
171.11734	1.6
173.09657	6.5
173.13272	4.9
179.10619	1.1
181.12241	5.6
183.10190	2.6
184.07251	1.3
187.11191	1.8
187.14827	1.7
189.11229	1.2
191.10664	7.4
193.12167	1.7
201.16425	2.3
209.11722	9.7
223.13293	16.8
227.12776	10.0
241.14378	21.9
243.20993	2.4
247.16940	4.0
259.20490	1.5
261.22195	7.9
265.14368	6.8
265.17633	1.2
275.20193	1.8
283.15411	28.6
284.15775	1.7
297.16925	2.4
299.23755	3.0
313.27362	1.8
314.27740	1.2
315.14456	2.1
315.18048	36.7
316.18158	1.8
317.24762	2.9
321.20621	7.5
335.25806	75.5
336.26141	7.5
379.21167	4.8
391.21072	3.3
433.31134	2.1
451.32095	3.6
469.33337	2.4
525.35724	11.2
526.36292	1.7
529.31641	23.2
530.32159	1.5
543.36810	64.7
544.37219	8.4
557.38080	1.5
561.37653	1.2
575.39453	100.0
576.39764	10.4
934.50122	3.5
935.45813	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	934.6456
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	37.3
69.03419	2.3
69.07069	16.1
71.08637	19.6
73.02872	2.7
79.05492	9.7
81.07056	41.4
81.94688	2.1
83.08603	10.6
85.02908	12.9
85.10188	7.2
91.03956	8.4
91.05480	5.7
93.07048	8.9
95.08602	31.3
97.02905	8.4
97.06544	2.3
97.10178	7.1
98.22622	5.0
105.07038	2.3
107.08604	5.4
109.10141	14.2
119.08591	2.7
121.10132	4.7
123.11692	4.2
127.03936	3.2
133.10144	3.9
135.11690	3.5
146.23543	2.2
158.08340	2.0
163.06018	5.0
175.14780	2.3
186.84357	2.2
245.22720	3.9
263.23672	9.5
313.27341	100.0
314.27771	4.5
337.23407	4.6
337.27347	67.0
338.27710	4.0
575.50299	65.5
576.50641	7.6
630.51172	2.5
713.64911	2.4
885.80151	2.5
888.52600	2.4
934.55353	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	935.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03355	1.5
71.29539	0.3
80.04958	0.4
81.03348	0.9
81.03807	0.3
83.03185	0.3
83.04906	0.7
84.44348	0.3
85.02837	0.5
91.05424	0.4
94.06525	0.7
97.02830	0.7
97.06416	0.3
106.06467	0.4
109.02773	0.4
110.05949	0.4
111.04462	0.4
115.67607	0.4
115.68303	0.4
119.04842	0.4
121.02737	0.3
124.07491	0.8
127.03857	0.3
136.43582	0.3
138.05444	0.5
147.04431	2.0
148.04691	0.5
152.07082	2.5
163.03865	0.8
168.06477	0.9
182.08099	0.3
209.05855	0.4
213.09105	0.4
225.09090	0.7
237.08957	0.6
238.09288	0.3
248.29309	0.3
256.95197	0.3
283.07748	0.6
297.78973	0.3
301.08640	0.3
311.09225	0.4
331.07761	1.2
362.60071	0.4
405.32275	0.3
447.12613	83.5
448.12955	5.7
456.13553	0.5
460.31702	0.3
474.13986	0.4
479.15244	100.0
480.15564	6.3
676.39618	0.4
871.26166	1.3
903.28540	5.4
904.29456	0.4
935.31506	5.5
936.32544	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
66.65934	0.4
67.05500	2.6
69.03431	4.5
69.07072	1.4
69.36760	2.0
71.01358	1.0
71.04992	0.7
72.53151	0.3
73.02911	3.6
79.05495	2.9
80.05864	0.4
81.03413	2.8
81.07063	2.7
83.04995	1.2
83.08579	0.8
83.63265	0.4
85.02905	5.1
91.03973	2.6
91.05481	2.5
93.07030	3.2
95.04971	1.0
95.08624	1.7
97.02885	6.4
97.06525	0.4
97.10171	1.2
98.83845	0.3
99.04469	1.6
101.02394	1.7
103.03988	0.4
105.07056	1.5
107.04976	0.7
107.08618	1.6
109.02898	0.9
109.06536	0.4
109.10165	0.8
111.04472	0.5
111.81390	0.4
115.03989	0.6
117.07037	1.2
119.08577	0.9
121.10173	0.6
123.08095	0.5
124.07593	0.4
124.41649	0.5
125.09637	0.8
126.05786	0.4
127.03951	1.4
129.07022	0.6
131.08569	0.5
133.10162	0.7
135.08069	0.5
145.10150	1.1
147.11746	0.5
163.11238	1.1
185.04294	1.0
203.05284	0.9
223.13397	1.1
243.08432	2.3
246.85188	0.4
283.15488	0.7
289.28085	0.4
291.19800	1.2
306.98322	0.4
331.19028	1.1
347.09671	2.0
363.09482	0.6
365.10544	0.6
405.13681	6.1
467.18835	5.6
549.26685	2.8
629.24060	6.3
630.24048	0.7
656.81415	0.4
704.42444	0.4
711.31726	3.6
712.31317	0.5
775.39075	2.0
937.44037	100.0
938.44275	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	937.5848
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	1.6
68.99269	1.7
68.99692	0.7
69.03428	3.3
69.07062	0.6
71.01360	0.7
71.05000	0.3
71.08633	1.2
73.02907	3.1
73.03245	0.2
79.05516	0.7
81.03423	1.2
81.07063	2.1
83.08654	0.7
85.02903	5.5
85.10188	1.0
87.04462	0.5
91.03953	3.3
91.05500	0.4
93.07060	0.9
95.08588	1.7
95.09087	0.2
97.02886	5.7
97.03510	0.3
97.10161	0.2
98.03276	0.2
99.04483	0.7
101.02367	1.8
103.03970	0.3
103.85477	0.2
105.07040	0.4
107.08614	0.4
109.02920	0.6
109.10143	1.0
115.03936	0.4
121.10136	0.5
123.11694	0.2
127.03107	0.2
127.03894	1.4
129.05521	0.3
131.08591	0.4
135.11842	0.2
153.84589	0.3
170.40572	0.2
185.04182	1.0
201.03874	0.2
203.05351	0.7
208.02040	0.2
217.47957	0.2
234.26875	0.2
239.23898	0.3
243.08423	2.0
305.08456	0.2
313.27521	0.8
347.09393	1.7
363.08936	0.5
365.10678	0.8
366.11545	0.2
405.13681	4.9
405.22180	0.3
497.30939	3.9
519.29315	2.5
520.29785	0.3
654.69812	0.2
659.36017	6.9
660.36548	0.4
681.34625	2.9
775.53662	1.0
937.58459	100.0
938.58734	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	937.5851
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	2.4
69.03430	4.5
69.07067	1.1
71.01353	0.8
71.04997	0.6
71.08627	1.7
71.97052	0.1
73.02916	4.6
75.04497	0.2
79.05496	1.7
81.03418	2.5
81.07058	2.9
83.01366	0.2
83.04980	0.2
83.08620	1.0
85.02903	7.4
85.10182	1.1
87.04492	0.5
91.03954	4.0
91.05000	0.1
91.05479	0.9
93.07037	1.4
95.05000	0.3
95.08607	2.6
97.02892	7.6
97.10176	0.4
99.04453	1.2
101.02375	2.3
101.03009	0.1
103.03968	0.5
103.04595	0.1
105.07063	0.4
107.08584	0.6
109.02900	0.9
109.10158	1.1
111.11691	0.1
115.03967	0.4
119.08566	0.3
121.10183	0.5
121.28906	0.1
123.11764	0.4
127.03925	1.8
131.08597	0.3
133.10141	0.2
135.11742	0.2
137.13367	0.2
142.59221	0.1
145.05023	0.4
147.11752	0.1
183.06587	0.2
185.04193	1.0
201.03761	0.2
203.05302	0.8
233.34340	0.1
239.23735	0.2
243.08397	2.3
243.10606	0.2
259.07968	0.3
305.08481	0.2
313.27313	0.7
335.25851	0.3
345.07889	0.1
347.09497	2.1
352.14044	0.1
363.09100	0.5
365.10583	1.0
405.13635	5.4
406.13983	0.2
497.30878	4.2
498.31430	0.4
519.29297	3.2
519.36511	0.2
520.29639	0.2
589.73987	0.1
624.37158	0.1
659.36078	7.5
660.36511	0.6
681.34497	4.4
682.35187	0.3
775.53101	1.4
937.58484	100.0
938.58777	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.4553
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	4.7
69.03437	6.0
69.07078	1.7
71.04996	1.6
73.02921	7.0
79.05499	5.6
79.77707	1.1
81.03422	3.9
81.07053	5.8
81.87910	1.2
83.04990	2.2
83.08636	1.6
85.02901	11.0
91.03978	5.4
91.04457	0.9
91.05492	4.4
91.10085	1.0
93.07044	6.3
95.04969	2.5
95.08618	2.6
97.02895	9.6
97.06577	1.3
99.04465	2.5
101.02390	3.7
104.61644	1.1
105.07013	4.9
107.04933	1.5
107.08595	2.9
109.02873	2.4
109.21455	1.1
115.03906	1.4
117.07049	2.7
119.08603	2.1
121.10152	2.2
123.08059	1.2
127.03935	3.6
131.08574	1.2
133.10243	1.4
145.10150	2.7
147.11702	2.0
163.11252	1.4
171.11725	2.0
184.07416	1.5
185.04312	2.6
201.03735	1.4
203.05267	1.3
209.11789	1.2
228.97528	1.1
230.51611	1.0
243.08507	4.0
283.15390	1.6
303.15598	1.8
347.09476	8.3
363.09167	3.8
365.10855	1.8
405.13571	12.7
438.78680	1.2
463.14548	3.1
465.21051	7.8
466.21030	1.2
467.18826	9.3
505.23853	1.6
547.24219	1.8
591.22729	1.3
627.26294	10.0
629.24103	12.5
630.25494	1.4
691.19989	1.1
691.33002	2.9
695.32935	2.3
701.26111	1.2
713.33411	4.3
743.34424	2.8
771.33307	1.9
783.38428	2.7
784.38257	1.1
823.36731	1.9
841.37946	4.5
853.38202	100.0
854.38977	9.1
881.41168	1.5
893.41992	14.8
894.43036	1.5
921.44550	18.2
922.45007	2.6
938.44025	2.1
939.45117	54.6
940.45636	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	939.4555
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03957	0.4
67.05507	2.8
69.03430	3.7
69.07080	1.1
71.01367	0.9
71.05005	0.7
71.07940	0.7
73.02912	3.6
79.05495	2.8
81.03424	2.1
81.07046	2.9
83.01346	0.5
83.04993	1.0
83.08621	0.8
85.02899	5.4
85.06561	0.4
86.39121	0.3
87.04492	0.6
87.90873	0.3
91.03951	3.3
91.05481	2.6
93.07054	2.3
95.04977	0.9
95.08608	0.9
97.02892	5.4
97.06537	0.4
99.04458	0.9
101.02374	1.6
105.07066	1.5
107.04953	0.7
107.08616	1.4
109.02914	0.5
109.10201	1.0
115.03968	0.6
117.07053	0.8
119.08609	1.0
121.06537	0.4
121.10152	0.7
123.08109	0.8
125.09659	0.5
127.03869	1.8
129.06990	0.4
131.08685	0.4
133.10150	0.8
135.11716	0.9
137.09688	0.4
145.10184	1.0
147.11711	0.5
163.11256	0.9
185.04344	0.8
243.08369	2.4
269.00476	0.3
283.15555	0.6
324.22519	0.4
333.20508	1.3
347.09433	1.9
363.09058	0.8
365.10648	0.9
389.23059	0.5
405.13675	4.9
405.18176	0.5
439.19046	0.5
453.21103	0.8
467.18842	4.5
469.20560	0.4
551.28143	2.4
629.24164	7.0
630.24115	0.4
713.33582	4.2
731.77051	0.4
777.40338	1.3
853.38196	0.4
921.43628	0.6
939.45526	100.0
940.45862	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	939.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	4.5
69.03428	3.5
69.07079	1.0
69.54075	0.8
69.54365	2.8
71.01361	0.8
73.02922	3.6
79.05495	4.3
81.03424	3.6
81.07056	3.6
83.05004	0.6
85.02919	4.6
91.03957	2.0
91.05474	3.1
93.07037	3.2
95.04967	0.8
95.08607	2.2
97.02889	5.8
97.06527	0.6
99.00820	0.5
99.04440	0.8
101.02377	1.1
105.07052	1.9
107.08596	1.7
109.02894	1.3
109.06517	0.5
109.10174	0.9
111.04369	0.6
115.03958	0.6
117.07077	0.7
119.08632	1.3
121.10177	1.7
125.09618	0.5
127.03958	1.6
131.08559	0.8
133.10115	0.9
135.11746	1.3
145.10152	1.5
163.11205	1.5
180.30069	0.5
185.04254	1.0
192.25301	0.4
201.03960	0.6
203.05283	0.8
205.62482	0.4
236.60039	0.5
243.08513	1.9
281.13632	2.9
337.16354	0.5
347.09769	1.8
363.08966	0.6
365.10745	1.0
383.26154	0.5
405.13788	4.3
499.21466	4.2
519.29523	5.0
661.26752	2.3
681.34375	7.1
682.34290	0.7
777.44458	1.6
939.48907	100.0
940.49292	14.8
940.65948	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.376
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03345	1.6
70.80750	0.4
71.14695	0.7
81.03352	0.4
83.04936	0.9
85.02834	0.9
91.05467	3.4
97.02832	0.4
97.06475	0.9
99.04337	0.5
109.02818	0.6
119.04939	6.7
124.07552	0.5
127.03834	0.8
145.04811	0.4
147.04410	24.7
148.04710	0.8
162.09137	0.6
163.03870	0.6
180.10118	0.8
186.07805	0.6
199.12312	0.4
204.91530	0.4
210.07756	0.5
211.08568	0.7
225.10272	5.9
226.10983	4.3
240.43771	0.4
241.13316	3.7
244.08389	0.5
251.10478	0.4
263.10519	1.6
269.09137	2.3
270.09875	0.7
277.12064	0.8
279.13446	0.4
284.11542	2.9
285.12323	52.9
286.12555	2.5
287.05560	0.4
290.12979	0.5
294.64587	0.4
304.14246	1.4
305.15195	0.9
310.11798	3.3
317.11551	0.6
318.12384	1.0
318.16019	1.4
319.16794	6.2
320.17224	0.6
322.11960	3.3
323.12747	0.8
332.13821	1.1
333.14612	0.7
334.11954	1.0
334.15506	0.5
334.19217	1.2
336.13480	3.4
346.15622	2.8
347.16248	2.8
348.13449	2.5
349.14145	1.3
350.14990	1.4
360.13089	0.4
362.11349	4.6
362.15036	2.5
362.18680	1.5
363.15851	1.7
364.16452	1.2
376.12866	9.8
376.17255	0.7
377.13553	4.0
378.18134	20.3
379.18521	1.3
380.19617	1.7
389.14267	0.7
390.14331	4.1
391.15216	8.1
392.15732	0.9
404.15994	0.5
405.16537	0.8
406.17596	100.0
407.17972	7.4
408.19168	13.7
409.19464	0.9
419.14536	0.7
426.20316	0.7
434.17105	0.7
436.18613	1.4
451.17142	1.1
452.18146	55.7
453.18616	3.9
482.19101	2.4
589.26361	2.0
616.23206	3.2
619.27411	2.0
646.23792	0.6
702.26532	0.5
778.13275	0.7
778.28101	32.0
779.28546	3.2
808.29132	44.1
809.29449	5.0
915.36511	17.6
916.36658	2.4
945.37549	36.4
945.57855	0.9
946.37781	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	946.609
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	14.6
69.05902	2.0
69.06310	7.1
69.07066	13.0
71.08625	14.2
79.05489	11.5
81.03429	2.4
81.06581	1.9
81.07056	25.5
83.05000	2.3
83.08616	6.7
85.10178	8.1
91.05480	20.4
93.07043	13.6
95.01311	1.9
95.04949	4.0
95.08053	1.5
95.08613	19.2
97.02885	1.6
97.06528	9.9
97.10152	3.4
103.07577	1.3
105.07034	28.5
107.04966	6.0
107.08589	6.9
109.06508	3.0
109.10144	5.8
117.07022	4.5
119.07787	1.5
119.08585	15.2
121.06496	1.0
121.10115	2.2
123.04470	1.6
123.08042	1.6
123.11723	2.8
131.08586	7.8
133.10123	14.4
135.08090	1.1
135.11685	3.8
137.13286	1.5
141.06975	1.3
145.10136	5.6
147.11649	4.9
149.13248	1.8
159.11713	4.1
161.13284	2.9
171.11783	1.5
177.12773	1.7
179.14307	4.4
183.11635	1.5
187.11263	1.5
219.17560	5.7
257.18927	2.3
257.24738	1.6
275.20065	23.1
313.27365	57.4
313.96680	1.4
314.27628	1.8
349.23782	13.8
587.46674	100.0
588.46875	11.3
681.05334	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.371
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	1.6
69.03084	3.1
69.03436	40.7
71.04990	4.5
71.29914	1.9
75.80264	1.3
80.05038	5.4
81.03425	48.4
83.04991	24.7
85.02914	12.9
85.06550	3.0
87.04496	4.0
91.05497	3.6
94.06632	1.5
95.04972	4.9
97.02892	25.0
97.06528	2.0
99.04466	17.6
105.03426	1.5
105.07061	1.8
107.04958	21.5
109.02878	16.9
111.04432	9.7
113.06001	7.1
115.04045	1.7
115.05484	5.6
115.07620	1.8
115.45642	1.4
117.07010	12.5
119.04941	7.9
121.02871	6.3
121.06463	2.5
123.04459	4.2
127.03931	24.0
128.45653	1.6
131.04950	6.5
133.06520	4.3
134.17485	1.6
135.04396	1.4
143.04939	2.8
144.05736	2.7
145.04958	2.2
145.06519	10.9
147.04411	22.0
149.06076	1.8
153.07092	1.5
158.65776	1.6
161.05968	7.7
163.03925	4.4
166.08743	9.8
167.08685	6.6
171.04405	6.9
175.03960	3.9
178.07799	1.6
179.07095	2.2
179.08601	4.0
181.06493	10.1
181.10077	7.0
182.07224	2.0
183.08073	27.4
184.08447	2.3
185.09644	13.2
187.05992	1.9
189.05434	14.2
191.08565	11.2
193.10149	2.9
194.07219	11.0
195.08075	18.3
197.09625	28.5
203.08583	3.6
203.89195	1.5
207.06506	4.4
209.06024	36.3
209.09616	43.9
209.11551	3.0
210.10008	2.3
211.07625	4.2
211.11237	5.5
213.09096	28.2
214.09547	2.4
218.07187	2.0
219.08006	17.9
219.09624	1.3
220.08394	1.8
221.09625	12.6
223.07558	40.0
224.08006	3.7
225.09126	46.5
226.09421	2.0
226.80898	1.6
227.07117	3.6
233.09729	2.1
237.09109	100.0
238.09517	8.2
239.10678	30.6
241.08606	20.5
247.07642	6.4
249.09122	3.8
251.07013	7.7
251.11066	1.7
255.10158	50.1
256.10599	2.3
261.09201	4.1
263.07181	1.7
265.08612	26.1
267.10138	2.7
269.08090	13.4
275.10620	2.2
279.10175	3.3
283.09650	65.4
284.10007	3.0
287.05515	1.6
289.08633	1.7
291.08691	3.4
293.08072	3.4
295.09689	3.7
301.10739	16.8
303.10107	2.7
309.09814	1.6
311.09143	37.0
312.09531	2.5
317.11722	4.1
329.10297	11.9
345.11246	2.8
361.09665	1.7
363.12329	4.0
381.13342	2.7
391.11807	5.3
395.11182	2.8
409.12808	14.9
413.12161	2.5
423.88428	1.9
427.13910	25.7
428.14044	2.0
429.15448	5.8
437.12485	9.3
438.12326	2.0
445.14825	6.2
455.13373	84.8
456.13815	6.5
471.13443	2.2
473.14468	74.8
474.14792	5.8
489.14420	1.9
491.15332	3.0
507.16461	3.6
517.14911	2.4
525.17377	2.6
535.16077	9.9
553.16919	7.1
575.17523	1.7
581.16357	5.7
599.17462	10.5
617.18719	44.5
618.18781	2.9
633.18848	1.9
635.19391	6.1
651.77789	1.7
679.19501	2.7
697.21021	6.5
715.22101	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	948.5669
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	22.7
69.03430	5.0
69.07065	5.5
71.01355	1.0
71.04994	3.5
79.05492	26.5
81.03423	11.0
81.07059	28.1
81.28074	0.6
82.72055	0.6
83.01351	7.0
83.04984	9.5
83.08616	8.3
85.02912	5.9
85.06539	1.1
91.05487	20.0
93.07047	31.6
94.07393	0.6
95.04964	6.0
95.08044	1.3
95.08606	15.8
97.02915	3.9
97.06524	3.7
97.10171	2.3
98.23383	2.5
99.04446	2.5
103.05485	0.7
104.86568	0.7
105.04460	0.9
105.07040	15.3
107.04964	6.1
107.08595	17.6
108.04492	0.9
109.02867	2.7
109.06521	4.3
109.10158	6.4
111.04444	2.3
111.08077	1.7
117.07025	8.5
119.08577	10.2
121.06500	2.0
121.10145	12.8
123.08070	6.7
123.11694	1.7
125.05997	1.3
125.09640	1.3
127.03909	3.1
129.05515	0.8
129.06998	2.3
130.07780	1.7
131.08568	7.9
133.10150	4.3
135.08113	1.0
135.11688	12.4
136.12001	0.7
137.09641	1.9
139.11256	0.8
143.08524	1.3
145.04924	1.3
145.06483	1.0
145.10120	15.6
147.08052	1.8
147.11662	3.1
149.13263	2.7
153.03474	0.7
153.09044	0.8
153.12718	1.4
155.08553	1.5
159.11674	2.8
161.13310	1.8
163.11183	19.4
163.14827	1.6
173.09613	3.1
173.13287	2.5
181.12296	3.3
183.11487	0.8
185.13216	0.7
187.14868	1.6
191.10695	3.2
209.11737	11.4
209.13602	1.4
227.12737	8.9
243.21074	1.3
259.20679	0.9
261.22165	8.0
283.15399	100.0
284.15820	3.4
299.23730	0.9
314.96985	0.7
335.25739	11.3
353.16000	4.5
387.25146	1.1
405.26370	1.4
491.26416	34.4
492.26477	2.0
543.36835	8.8
634.45734	0.8
948.51935	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.6248
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	30.8
69.07073	17.7
69.07806	10.2
69.08222	14.7
71.08639	22.4
79.05492	23.8
81.07056	30.7
83.08623	10.9
85.02911	9.1
85.10184	15.2
88.10390	3.3
91.03989	6.5
91.05473	30.9
93.07037	25.9
95.08604	34.6
97.06544	4.4
97.10181	6.0
105.07024	31.3
107.08598	11.9
109.10153	14.2
111.11772	4.3
117.07013	10.0
119.08578	25.6
121.10155	12.8
129.06982	5.4
131.08577	12.4
133.10146	23.5
135.11696	10.4
139.11172	5.3
145.04990	6.5
145.10112	15.0
147.11702	23.3
149.13298	5.4
157.10196	4.6
159.11674	7.8
161.13258	18.7
163.05939	4.3
171.11726	7.8
173.13277	5.9
175.14856	7.0
185.13286	5.2
231.21126	3.3
241.19519	16.6
259.20578	64.2
279.11707	3.1
313.27347	100.0
314.27612	6.2
333.24231	47.1
571.47345	16.1
589.48315	45.2
590.48828	4.2
856.25250	3.6
894.14886	4.7
948.51648	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	948.6247
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	14.4
69.07072	5.4
70.53324	2.1
70.57357	1.8
71.08640	22.4
79.05487	15.4
81.03394	1.9
81.07062	19.4
81.65504	1.9
83.08614	5.5
85.02905	3.0
85.10187	6.7
91.05489	9.9
93.07047	18.0
95.08589	19.0
97.10149	2.8
98.87140	2.5
99.08108	6.3
105.07058	6.4
107.04964	2.3
107.08580	10.2
109.10174	9.4
117.06969	2.1
119.08601	6.9
121.10149	8.3
123.11694	2.3
129.07056	2.4
131.08632	3.7
133.10159	2.7
135.11731	10.5
151.11220	3.8
161.13235	3.3
179.14267	27.1
179.15477	2.1
207.95715	2.1
227.74977	2.0
277.21634	18.3
313.27368	60.4
351.25458	10.2
589.48236	100.0
590.48511	8.9
949.51965	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	950.494
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	91.8
69.03429	14.3
69.07069	51.8
70.34489	1.9
70.34840	4.8
71.01369	3.6
71.04993	8.5
71.05322	1.6
71.17665	1.4
73.02908	7.4
77.03923	2.5
79.05493	74.6
81.03417	31.3
81.07058	73.5
82.07386	1.7
82.62017	1.6
83.01350	10.8
83.04978	24.7
83.08617	23.7
85.02911	24.5
85.06539	4.6
91.03961	9.4
91.05480	68.5
93.07042	74.2
95.04961	21.9
95.08603	48.5
97.02877	16.5
97.06535	21.0
97.10137	9.3
99.04451	7.0
99.08092	2.6
103.05456	2.0
105.07028	52.3
107.04945	19.2
107.08597	39.8
109.02859	3.8
109.06512	13.5
109.10159	34.0
111.04421	6.6
111.08062	7.2
115.05449	4.6
117.07010	21.2
119.04953	2.0
119.08576	40.1
121.06497	11.2
121.10136	19.3
123.04462	1.9
123.08073	19.6
123.11692	4.0
125.06004	3.6
125.09622	11.7
127.03931	9.3
128.06221	3.4
129.05482	4.9
129.06996	8.1
130.07750	4.1
130.53590	1.7
131.08556	24.9
133.06485	2.8
133.10147	27.7
135.08055	7.3
135.11688	22.8
137.05978	2.0
137.09608	18.0
139.07510	2.5
139.11139	2.3
141.06984	5.1
141.09077	2.3
142.07841	1.8
143.08591	5.6
145.04950	2.0
145.06477	3.5
145.10115	34.3
147.08034	6.2
147.11679	11.1
149.09613	22.0
149.13217	3.4
149.63147	1.6
151.11194	4.2
153.09065	2.1
153.12737	4.8
155.08470	3.6
155.10655	2.8
157.10075	8.1
159.11710	13.7
161.09642	2.7
161.13240	7.2
163.05984	2.3
163.11182	44.1
165.09102	3.6
165.12785	2.1
167.10645	1.9
169.10162	2.9
171.10239	2.0
171.11697	4.9
173.09621	4.8
173.11716	10.7
173.13284	4.3
175.11174	2.3
179.14285	4.6
181.12312	8.3
183.11769	2.8
189.11258	4.3
191.10667	4.7
193.12216	2.3
195.13754	3.1
197.13272	2.0
209.11707	13.9
211.13226	2.0
223.13362	4.5
227.12779	14.6
229.14375	10.6
229.19531	2.9
239.18022	3.8
243.16031	1.8
245.19199	2.0
247.20271	2.0
253.14507	3.2
257.18967	11.5
267.15747	3.2
273.18555	5.0
275.20065	40.6
279.15939	1.8
283.15387	100.0
284.15735	3.8
291.19543	13.9
293.21194	5.9
349.23761	46.4
350.24033	3.4
365.23090	6.4
379.21042	10.9
398.67218	2.2
437.19763	3.0
437.25348	46.4
438.25772	2.7
451.26651	5.4
461.28934	12.9
463.26950	3.4
477.28156	4.8
492.30316	2.0
539.34039	3.4
541.99615	1.9
557.26434	3.0
557.34729	60.0
558.35107	4.1
573.34332	4.4
574.36310	2.4
575.35992	10.4
591.34644	2.5
788.44019	1.9
911.74951	1.8
950.45386	2.0
977.06580	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.5828
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	27.4
67.87781	1.0
69.03428	5.3
69.07069	6.8
71.01379	1.1
71.04981	3.4
79.05067	1.6
79.05495	21.3
81.03424	9.9
81.06583	2.1
81.07053	33.3
83.01346	6.4
83.04993	9.2
83.08624	11.2
85.02908	7.1
85.06558	1.2
91.05481	15.5
93.07046	22.8
95.04971	6.6
95.08604	21.5
96.08955	1.1
97.02908	4.6
97.06531	5.3
97.10158	3.2
98.22609	3.7
99.04444	2.3
105.07023	10.4
107.04967	6.5
107.08584	13.2
108.04468	1.6
109.02863	2.7
109.06538	4.7
109.10155	7.7
111.04436	1.7
111.08069	2.9
117.07016	8.5
119.08588	9.1
121.06495	3.3
121.10130	8.7
123.08071	6.8
123.11681	3.6
125.05989	1.4
125.09618	1.4
127.03941	5.7
129.07027	1.5
130.07739	1.1
131.08565	4.0
133.10147	4.8
135.08067	1.4
135.11699	9.8
137.13243	1.8
145.10112	11.4
147.08023	2.0
147.11684	3.5
149.13307	1.2
153.12773	2.6
161.13203	1.6
163.11195	18.9
173.09644	1.7
181.12213	2.9
185.13387	0.9
191.10646	2.6
209.11714	8.3
227.12724	8.7
245.22638	3.0
263.23709	7.7
283.15399	100.0
284.15720	5.1
337.27341	16.4
345.35770	1.0
353.15991	5.4
371.17087	1.5
371.25998	1.8
391.00876	1.1
407.28091	1.8
491.26410	36.4
491.33636	1.7
492.26447	2.9
545.38361	13.9
546.38599	2.1
641.32184	1.0
951.55371	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	63.6
69.03435	17.7
69.07068	23.5
69.68702	3.2
69.69086	2.7
70.06588	2.6
70.61649	1.5
71.01367	2.3
71.05005	9.9
71.08612	1.3
73.02916	1.4
77.03944	2.5
77.75763	1.2
79.05492	90.8
80.05841	2.1
81.02930	2.0
81.03044	1.0
81.03416	47.5
81.07055	73.4
82.07421	1.8
83.01339	14.1
83.04976	25.6
83.05458	1.9
83.08624	22.4
85.02894	15.1
85.06521	1.4
91.05479	100.0
93.07044	86.0
94.07346	2.4
95.04971	23.3
95.08604	30.8
95.09164	2.3
97.02882	11.7
97.06541	17.0
97.10172	5.4
99.04454	5.7
99.08083	3.8
103.05473	2.9
105.04534	3.7
105.07033	47.5
106.07339	1.7
107.04959	20.9
107.08591	55.4
107.09289	3.0
108.08928	2.1
109.02870	14.1
109.06525	16.3
109.10149	9.9
111.04465	8.9
111.08096	5.3
115.03943	1.7
115.05429	8.0
117.07016	52.8
118.07321	1.8
119.04929	1.3
119.06084	1.5
119.08575	36.8
120.05745	1.7
120.08871	1.8
121.02967	1.5
121.06516	12.3
121.10139	23.3
122.10538	1.6
123.04427	2.7
123.08080	12.7
123.11688	2.3
125.05986	3.8
125.09644	6.2
127.03918	24.3
128.06221	1.7
129.05498	2.1
129.07001	9.9
130.07758	3.1
131.08568	25.1
133.06494	5.9
133.10136	23.7
135.08051	53.6
135.11687	23.1
136.06181	1.6
137.09612	7.7
139.07477	2.1
139.11195	2.7
141.07025	3.1
143.08539	8.1
145.04919	2.4
145.06502	3.8
145.10133	38.5
147.08055	6.6
147.11650	12.4
149.02361	24.1
149.03438	2.6
149.09604	17.6
149.13277	8.9
150.02672	1.7
151.11137	2.8
153.09137	2.6
153.12746	3.8
155.08525	4.2
157.10117	5.9
159.08063	2.2
159.11703	11.7
161.09634	4.3
161.13261	3.5
163.07533	7.9
163.11183	41.6
164.11606	1.9
165.09122	2.0
167.10716	2.5
169.10139	5.0
169.20023	1.6
171.11729	5.7
173.09584	8.0
173.13246	4.3
175.11189	2.9
177.12747	4.1
179.14383	2.2
181.08670	2.9
181.12178	7.4
183.08011	1.4
183.11736	3.7
185.09512	1.7
185.13275	2.7
187.11058	2.3
187.14745	2.3
189.09196	2.9
189.11223	2.5
190.93770	1.4
191.10634	6.5
191.14290	1.5
193.04987	22.8
195.13812	6.8
197.13220	2.2
199.09669	4.7
201.16394	3.0
203.14302	1.8
207.10144	2.2
207.13916	1.8
209.11720	21.1
213.14703	2.0
219.17366	1.9
223.13394	2.5
225.11301	2.4
227.12732	23.0
229.15930	4.8
231.17409	2.5
235.16901	2.1
239.17920	2.7
241.14325	8.2
247.16945	6.1
252.93495	1.4
253.14417	1.7
255.12265	64.6
255.15514	2.6
256.12595	3.2
257.19131	6.7
261.14877	3.2
267.15915	2.5
269.17508	5.1
275.20020	31.1
283.15405	52.3
284.15720	2.2
291.19504	4.6
293.21143	1.9
299.14911	2.5
303.16016	3.2
311.14755	2.1
315.41849	1.5
321.17020	2.8
321.20590	5.5
325.16614	2.6
331.22681	1.7
335.25867	3.4
339.18103	6.1
349.23700	12.8
353.15948	12.2
385.09140	6.5
409.22131	2.1
419.24222	4.7
435.23730	11.0
437.25500	2.0
449.19257	2.8
449.25339	43.9
450.25891	3.4
451.33255	1.6
463.23245	13.9
464.23648	1.7
465.24872	1.9
487.57001	1.3
489.28790	1.8
491.26355	2.2
511.30188	2.0
525.35779	1.9
529.31592	15.0
530.31720	1.9
543.36694	2.6
547.32568	3.5
575.39050	3.8
577.13159	2.3
649.23419	1.6
769.17584	1.7
952.50507	6.9
953.45856	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	954.6138
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	41.7
68.05822	0.6
69.03406	1.3
69.07071	10.9
70.80091	1.2
71.04997	1.2
71.08644	0.5
73.02905	3.5
73.57293	0.5
77.03944	0.7
79.05492	28.8
81.03407	1.2
81.07056	46.4
82.07379	1.0
83.04975	1.7
83.08630	6.6
85.02900	12.0
85.06544	1.4
91.03957	9.3
91.05479	17.7
93.07040	34.6
95.04974	2.6
95.08607	38.8
96.08922	0.8
97.02885	6.3
97.06531	2.3
97.10175	3.6
99.08097	1.1
102.91838	0.6
105.04510	1.0
105.07027	16.8
107.08596	19.8
109.02952	0.7
109.06503	0.7
109.10155	19.4
111.08074	1.7
111.11707	1.1
117.07027	6.9
119.08577	13.4
121.06496	0.5
121.10144	17.5
123.08057	1.0
123.11694	7.6
125.09618	0.6
127.03898	3.8
129.06995	1.7
131.08563	9.6
133.10129	11.6
135.11685	13.3
137.09622	0.7
137.13197	2.6
139.11105	0.6
143.08577	2.2
143.63799	0.5
145.04953	5.2
145.10112	10.0
147.08046	0.5
147.11694	10.5
149.13258	9.1
151.11179	1.0
151.14769	0.8
157.10144	2.1
159.11673	8.5
161.13264	8.1
163.06024	6.6
163.11153	1.0
163.14842	4.8
165.12712	0.8
171.11688	2.8
173.13264	7.2
175.14844	4.1
177.16412	1.7
181.26112	0.5
185.13235	1.4
187.14822	4.4
189.16423	1.9
197.13277	0.7
199.14804	1.6
201.16417	2.1
213.16528	1.3
215.18016	1.4
231.21201	0.7
241.19597	3.3
243.21132	6.1
245.22794	0.7
257.19006	0.8
259.20605	8.6
261.22134	21.4
262.22501	1.1
263.23657	1.6
273.21957	0.6
275.20090	0.6
277.21732	1.2
279.23486	1.0
299.23648	1.2
301.25122	0.7
313.25317	0.6
315.23196	0.8
315.26852	0.8
317.24786	2.8
327.26846	0.8
333.24216	5.7
333.64951	0.5
335.25793	100.0
336.26205	4.3
337.27377	12.0
388.82721	0.5
437.34598	0.6
489.35559	0.7
503.42786	0.7
517.39429	0.8
521.43707	3.0
529.77911	0.5
531.39899	0.6
539.44757	1.0
543.40643	0.6
595.47229	13.9
596.47766	1.1
613.48206	16.0
614.48413	1.1
838.44781	0.7
955.57092	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.4507
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05525	3.2
69.03444	5.0
69.07086	1.9
73.02920	7.8
79.05511	4.4
81.03447	4.5
81.07085	3.9
82.31133	1.1
83.05009	1.8
83.08646	1.6
85.02907	13.7
91.03977	7.6
91.05494	3.9
93.07071	4.9
95.05014	2.0
95.08654	1.8
97.02901	9.8
97.06569	1.6
98.22588	2.6
99.04461	1.5
101.02405	3.4
105.07024	2.3
107.04966	1.3
107.08615	1.6
107.29953	0.9
109.02898	2.0
109.10168	1.2
115.04029	1.2
117.07098	1.2
119.08617	2.9
122.70362	1.1
125.09626	1.1
127.03942	4.1
129.05513	1.3
131.08557	1.4
133.10214	1.4
135.11729	1.6
145.04907	1.6
145.10117	2.7
163.11238	1.9
181.12274	1.6
185.04262	3.3
201.03835	2.1
203.05315	2.4
209.11603	1.3
218.49995	1.0
241.06981	1.3
242.80281	1.2
242.83420	0.9
243.08476	2.9
249.11018	1.3
257.06427	2.2
283.15540	1.6
301.09006	3.3
329.08484	1.8
347.09427	13.9
363.08932	6.9
365.10913	1.6
385.18628	2.4
405.13626	10.9
413.17911	2.1
463.14249	8.1
467.18954	9.3
477.15817	1.7
481.20685	2.1
497.19913	1.5
525.19556	1.2
531.20801	1.6
535.16943	3.2
547.23712	6.4
575.23096	1.5
581.29437	1.8
591.22913	1.5
601.24744	2.7
619.25580	1.9
629.24164	14.4
639.30579	2.0
643.25836	2.8
659.25177	4.4
660.26221	1.7
673.27667	1.7
701.25208	2.1
707.33038	1.8
711.31445	1.9
715.30597	1.3
729.30328	1.4
743.34442	8.8
744.35065	2.9
771.34314	4.1
801.35339	5.6
827.36554	12.5
828.37018	1.4
869.37653	57.0
870.37915	6.6
937.43524	6.1
955.45227	100.0
956.44971	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	956.6299
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	74.7
69.03433	3.3
69.07069	26.5
69.14869	8.8
71.04991	3.1
71.08636	3.3
73.02901	4.4
79.05493	36.2
81.03412	2.0
81.07056	73.1
82.07359	1.4
83.08622	16.3
85.02900	19.8
85.06551	1.7
91.03955	15.7
91.05473	21.9
93.07047	42.8
95.04976	4.5
95.08608	62.1
96.08946	1.1
97.02879	10.5
97.06517	3.5
97.10168	7.0
99.08080	2.3
105.04514	1.3
105.07036	18.0
107.08597	22.4
109.06551	2.1
109.10161	28.6
109.10913	1.6
111.08007	1.1
111.11676	1.4
117.07022	4.5
119.08564	15.1
121.10139	23.1
123.11714	10.6
125.09649	1.8
127.03905	7.4
129.07004	1.6
131.08562	11.6
133.10132	14.6
135.11687	15.2
137.09662	1.1
137.13271	4.7
139.11147	1.3
143.08594	1.8
145.04933	7.7
145.10130	9.3
145.25301	1.2
147.11673	11.4
149.13248	12.1
151.14803	1.8
153.12746	1.2
157.10126	1.4
159.11676	7.4
161.13246	9.4
161.14464	1.6
163.06036	9.9
163.14793	7.2
165.16382	1.6
166.40184	1.1
167.85118	1.1
171.11765	1.5
173.13268	7.8
175.14848	4.6
177.16405	2.9
187.14838	4.0
189.16354	1.9
199.13158	1.5
199.14877	2.6
201.16371	2.3
203.18073	1.5
213.16508	1.2
215.17828	1.2
217.19633	1.2
219.21170	1.7
233.22482	1.9
241.19617	3.2
243.21028	10.5
245.22665	4.5
251.44659	1.2
259.20590	8.0
261.22131	30.6
262.22409	1.7
263.23801	5.4
265.25290	1.3
275.20001	1.4
277.21768	1.4
279.23248	1.3
317.24817	4.6
319.26431	1.2
333.24319	6.7
335.25803	100.0
336.25928	5.7
337.27350	98.6
338.27692	4.3
339.29010	7.9
343.30002	1.5
399.91467	1.1
442.48700	1.4
505.44534	1.6
523.44940	6.2
541.46143	3.4
545.42310	1.5
597.48700	40.8
598.48810	4.6
615.49780	43.4
616.49902	4.2
818.84308	1.4
956.58862	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	957.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03384	1.9
69.07007	0.5
71.10120	0.8
81.03378	0.6
83.04942	1.7
85.02854	0.7
86.72643	0.4
91.05478	4.7
91.51698	0.5
95.04867	0.6
97.02855	0.9
97.06465	1.7
105.06992	0.4
108.08115	0.5
110.03416	0.4
111.04393	0.7
112.89600	0.4
119.04944	9.4
136.07599	0.6
138.09113	0.4
144.31380	0.5
147.04408	34.1
148.04689	0.8
162.09062	0.5
165.05389	1.0
197.10768	0.4
215.06917	0.5
225.10234	5.7
226.10985	5.0
241.08437	0.5
241.13385	4.7
244.08693	0.4
245.09247	1.0
263.10489	1.3
264.11124	0.5
269.09256	2.9
270.09799	0.7
277.11984	0.5
278.13022	0.8
284.11551	2.2
285.12332	64.3
286.12631	3.4
290.12915	0.5
302.12769	0.6
303.13766	0.5
304.14203	0.9
305.15204	0.9
310.11877	3.6
318.12366	2.2
318.16068	1.2
319.16748	3.7
321.09641	0.6
322.11722	3.2
332.13873	1.4
333.14661	0.6
334.12003	1.1
334.19070	1.3
336.13431	2.9
346.15454	1.8
347.16394	1.8
348.13257	3.6
349.13882	1.0
350.15082	0.9
362.11313	3.7
362.14795	3.8
362.18719	1.3
363.15625	1.1
364.16611	1.4
373.14331	0.6
376.12924	13.7
376.16489	0.6
377.13602	5.9
378.14206	1.1
378.18130	21.3
379.18399	1.7
380.19638	2.5
387.13605	0.6
388.16663	0.9
389.14471	0.9
390.14331	4.8
390.18402	0.8
391.15305	10.0
392.15842	1.6
404.16168	0.9
406.17612	100.0
407.17950	7.6
408.19171	21.6
409.19522	1.3
418.17648	1.2
424.18591	1.0
426.20349	0.7
436.18832	2.6
451.17480	1.6
452.18164	66.1
453.18582	5.6
482.19122	3.8
552.21234	0.6
589.26538	2.8
616.22845	2.1
619.27722	1.9
744.27930	1.7
774.28546	0.9
790.28156	27.6
791.28607	4.5
794.30011	0.7
802.28418	1.1
820.29163	66.0
821.29706	8.2
927.36780	9.5
928.36761	1.5
939.36823	0.6
957.37592	28.4
958.37909	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	957.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	4.5
69.00129	3.1
69.03437	1.3
69.07087	1.8
71.05004	1.8
71.08672	0.5
79.05498	6.6
79.05911	0.5
80.32947	0.5
81.03426	2.6
81.07066	4.2
83.01370	1.2
83.05005	2.0
83.08646	1.2
85.02928	1.7
91.05483	6.2
93.07047	5.6
95.04957	2.7
95.07774	0.4
95.08589	2.5
97.02930	0.9
97.06527	1.1
97.10192	0.8
98.22542	0.9
99.04462	0.8
105.04491	0.5
105.07038	3.3
107.05000	1.9
107.08586	2.9
107.59841	0.4
108.37067	0.4
109.02934	0.9
109.06575	1.3
109.10175	0.9
111.04451	0.8
112.07630	1.2
112.47057	0.4
113.06010	1.0
115.05511	0.7
117.07018	3.2
119.08612	1.8
121.06551	0.8
121.10178	1.1
123.08121	1.6
127.03936	0.9
130.07834	0.5
131.08571	0.8
133.10229	0.8
135.08099	2.0
135.11765	1.9
143.08641	0.7
144.00879	0.5
145.10091	2.2
147.63858	0.4
149.09616	0.6
149.66537	0.6
155.17920	0.5
163.11218	3.2
209.11943	0.7
243.08507	0.5
250.47296	0.4
251.80237	0.4
260.27328	0.5
268.02750	0.4
272.63364	0.4
405.13907	1.3
411.16278	0.5
451.19589	1.9
519.29938	0.5
524.85211	0.5
626.09973	0.5
647.26794	3.0
675.30249	0.8
681.34406	0.5
731.36340	3.2
759.38745	1.4
939.49084	2.1
957.48273	100.0
958.48596	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	960.5887
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	16.3
68.08555	1.0
69.03425	1.5
69.07068	8.5
71.05035	1.0
71.08641	9.9
74.22292	1.1
79.05499	9.8
81.03417	1.6
81.07055	16.6
83.04977	10.2
83.08621	8.8
85.02895	2.9
85.06552	1.7
85.10174	7.0
89.06013	1.9
91.03938	1.5
91.05484	13.8
93.07052	8.1
95.04970	3.3
95.08607	13.5
97.02854	1.2
97.06535	2.3
97.10179	4.3
99.04451	1.7
99.08112	1.7
105.07042	10.4
107.04954	14.4
107.08591	6.0
109.06525	4.1
109.10152	9.8
111.04424	6.6
111.08067	1.4
113.06014	2.0
117.07034	6.2
119.08573	6.9
121.01298	1.3
121.06494	3.4
121.10118	3.0
123.04440	1.1
123.08059	1.0
123.11713	2.3
125.06055	1.1
125.09601	1.3
129.07008	2.6
131.08566	4.5
133.10136	6.8
135.08018	3.9
135.11684	1.9
145.06473	1.7
145.10115	4.0
147.08086	3.4
147.11682	1.8
149.09621	1.8
151.07594	1.3
151.11192	1.9
155.08565	1.9
157.10136	1.8
159.08018	3.6
159.11679	2.3
161.09669	1.5
161.13269	1.2
163.07538	1.3
171.11662	1.5
173.09636	2.2
175.11145	2.3
177.09166	1.9
177.12697	1.2
178.13562	1.2
180.72087	1.1
197.13174	1.1
198.57309	1.1
205.15897	3.3
215.14372	1.6
233.15437	3.5
243.17387	1.7
253.14301	5.6
257.24756	1.4
261.18555	2.3
271.16885	3.1
273.18359	2.2
282.25122	1.1
289.17975	18.3
291.19473	3.0
307.19012	1.2
311.25720	6.6
313.27374	55.4
314.27594	2.6
363.21686	12.5
365.23172	1.1
601.44617	100.0
602.45074	10.2
627.89618	1.5
656.63580	1.2
960.55969	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	27.9
69.03432	6.1
69.07070	17.2
71.01353	1.1
71.04984	3.6
71.28149	1.5
77.77917	0.8
79.05494	30.4
79.16936	0.8
80.71455	0.9
81.02984	2.1
81.03421	20.1
81.07057	44.2
83.01361	3.4
83.04982	8.8
83.08614	8.1
85.02900	5.9
85.06554	1.8
91.05484	50.1
93.07046	35.3
95.01317	6.4
95.04980	8.6
95.08611	26.5
97.02892	4.4
97.06524	14.9
97.10159	2.4
99.04453	2.7
99.08136	1.6
103.05474	3.0
105.07031	69.1
106.07386	1.3
107.04971	14.3
107.08598	17.5
109.02882	6.6
109.06532	6.7
109.10170	5.9
111.04452	2.6
111.08090	2.6
113.09695	1.1
115.05498	1.3
117.07014	18.1
117.45143	1.1
119.08583	33.3
121.06537	2.7
121.10155	11.0
123.04432	2.4
123.08072	7.1
123.11704	1.8
125.09653	1.8
127.03918	14.6
129.07034	2.7
131.08578	20.8
133.10133	37.2
135.08049	5.0
135.11691	6.3
137.05968	1.4
137.09648	3.2
138.62091	1.1
141.06996	2.1
143.08595	4.0
144.09314	1.2
145.06511	1.7
145.10126	23.3
147.08084	2.0
147.11696	12.9
149.09641	4.5
149.13248	2.8
151.11168	1.8
155.08568	2.2
157.10117	3.1
157.47415	1.2
159.08067	1.0
159.11662	7.8
161.13237	3.0
163.11177	9.6
169.10138	2.4
171.11743	2.9
173.09631	1.7
173.13284	2.3
177.12753	4.0
179.14287	10.3
181.12209	1.2
183.11705	1.6
187.11180	2.5
197.13264	2.9
203.14278	1.2
209.11797	3.0
219.17426	14.2
227.12857	3.4
229.19547	1.2
239.17941	1.7
241.14406	2.0
247.20573	1.3
257.18958	5.5
275.20059	100.0
276.20474	5.1
283.15384	23.5
284.15656	1.3
287.16656	2.0
293.21140	7.0
335.22095	2.6
349.23700	12.1
353.16013	1.4
401.23254	1.9
419.24353	18.6
437.25339	4.6
539.33466	4.0
557.34717	83.0
558.34967	7.4
575.35547	2.0
962.51166	3.9
963.51855	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	962.6041
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04758	1.1
67.05172	5.5
67.05463	18.9
69.03428	5.6
69.07067	16.1
71.04958	1.0
71.08634	14.3
73.02879	0.9
75.04473	0.4
79.05489	14.0
80.05788	0.4
81.03415	4.0
81.07055	17.8
83.04984	2.1
83.08617	10.5
85.02898	4.0
85.06500	1.2
85.10181	9.2
85.10681	0.4
89.05994	1.2
91.03912	1.4
91.05479	10.4
93.07040	10.6
95.04974	4.6
95.08603	17.0
96.08804	0.4
97.02894	7.7
97.06521	2.2
97.10164	9.5
98.22542	0.7
99.04406	0.6
99.08044	0.6
103.05421	0.4
103.07557	0.6
105.04516	0.9
105.06403	0.5
105.07032	7.1
107.04942	4.8
107.07967	0.4
107.08593	5.9
109.02874	0.5
109.06517	1.8
109.09476	0.6
109.10154	9.3
111.04443	0.5
111.08035	1.2
111.11719	0.4
115.05434	0.5
117.07001	3.3
119.04897	0.7
119.08581	6.0
121.06524	2.1
121.10136	3.0
123.04430	0.6
123.08073	2.1
123.11707	2.6
125.09621	5.0
127.03857	1.0
128.06133	0.4
129.07005	1.9
131.08566	4.0
133.06505	1.8
133.10117	2.7
134.07210	0.8
135.08055	2.7
135.11635	1.4
137.09567	1.2
137.13232	1.0
143.08513	1.7
145.04939	0.5
145.06493	0.6
145.10132	2.9
147.08037	3.7
147.11661	1.5
149.09569	1.4
149.13235	1.3
151.11243	0.6
153.09015	0.5
153.12840	0.5
157.10095	1.5
159.07962	0.5
159.11658	1.7
161.09625	1.8
161.13170	0.7
162.10352	0.5
163.05963	0.8
163.11113	1.2
165.09103	1.2
166.17015	0.4
169.12183	0.4
171.11687	1.1
171.13799	0.4
173.09634	0.6
173.13272	0.4
175.11166	0.9
175.39142	0.3
177.12674	1.1
189.11215	3.1
193.12209	1.0
195.13774	0.8
205.12262	1.4
211.13217	0.9
221.11752	0.5
223.13297	14.9
224.13625	0.4
227.12744	3.3
227.17816	0.5
239.23691	1.4
244.89690	0.4
245.18977	1.0
249.14873	2.1
257.24753	1.3
263.20200	0.5
267.15927	1.1
273.18478	9.5
291.19531	63.6
292.19943	3.4
309.20795	0.8
313.27347	76.4
314.27695	4.1
326.18143	0.6
347.22238	2.5
349.23154	0.4
365.23221	35.4
366.23730	1.9
483.36896	1.3
502.73944	0.4
505.38879	1.4
507.40909	0.5
523.39954	4.3
535.40051	0.6
549.30542	0.4
585.45166	3.0
603.46155	100.0
604.46411	9.7
621.46844	0.5
667.43628	1.0
689.44275	0.4
765.52014	0.4
923.18158	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.6042
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04761	1.2
67.05174	5.4
67.05465	20.1
69.03426	5.7
69.07067	18.8
71.01321	0.5
71.04951	1.0
71.08633	16.2
73.02901	0.8
77.03845	0.3
79.05493	14.1
80.05772	0.5
80.44866	0.4
81.03426	4.0
81.07056	18.9
83.04996	2.0
83.08617	10.1
85.02907	3.8
85.06515	0.7
85.10182	9.6
86.96154	0.4
89.06008	1.0
91.03953	2.2
91.05481	9.8
93.07042	9.7
95.01301	0.4
95.04970	4.9
95.08604	17.7
96.08939	0.5
97.02889	8.6
97.06530	2.6
97.10168	10.6
99.08037	0.5
99.11696	0.5
103.05431	0.6
103.07514	0.4
105.06390	0.4
105.07031	7.3
107.04407	0.3
107.04953	4.0
107.08602	6.8
108.05712	0.4
109.02835	0.5
109.06500	2.0
109.09467	0.6
109.10155	9.6
111.04406	0.7
111.08063	1.1
111.11665	0.5
115.05463	0.6
117.07021	4.2
119.04878	0.8
119.08578	6.6
120.05648	0.5
121.06521	2.1
121.10136	3.1
123.08089	2.0
123.11693	2.6
125.09622	5.8
127.03897	0.9
128.06212	0.4
129.05434	0.4
129.07008	2.5
130.07777	0.6
131.08580	4.5
133.06485	1.7
133.10147	3.0
134.07216	1.0
135.08047	2.7
135.11632	1.5
137.09581	1.6
137.13249	0.5
139.11143	0.5
141.06900	0.5
142.07722	0.7
143.08521	1.7
143.10721	0.5
145.04881	0.7
145.06427	0.6
145.10106	3.3
147.08031	4.7
147.11659	1.3
149.09569	1.5
149.13225	1.3
153.09027	0.8
157.10101	1.5
159.08003	0.7
159.11674	1.3
161.09576	1.7
161.13188	0.6
162.10316	0.6
163.05949	0.5
163.11143	1.4
165.09062	1.1
169.10068	0.4
169.12244	0.6
171.11688	0.4
173.09572	0.4
173.13101	0.4
175.11130	1.7
177.12733	0.8
179.10547	0.4
189.11176	2.0
189.12729	0.7
193.12259	1.2
198.20079	0.4
205.12180	1.2
211.13269	0.8
222.81599	0.3
223.13289	13.0
227.12772	3.2
227.17833	0.6
239.23676	1.7
245.19017	0.7
249.14801	1.9
255.17422	1.0
257.24756	1.3
263.19888	0.7
267.15854	1.1
273.18506	10.2
274.18887	0.6
291.19534	65.9
292.19907	3.8
309.20593	0.9
313.27353	77.5
314.27676	4.4
329.21155	0.4
337.69940	0.4
347.22122	1.9
365.23227	36.3
366.23544	1.9
483.36771	1.8
505.38904	1.2
517.58313	0.4
523.39990	3.8
535.39520	0.6
585.44745	2.3
591.44116	0.4
603.46167	100.0
604.46460	12.2
621.46667	0.5
667.43903	0.7
747.50732	0.6
962.52100	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.6024
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05212	5.5
67.05503	47.4
69.03429	6.6
69.07068	22.7
71.04956	4.8
71.08631	21.0
71.28668	5.5
79.05499	32.5
81.03436	9.3
81.07058	60.9
83.04985	10.8
83.08623	13.7
85.02908	14.3
85.10181	11.6
85.74250	4.4
88.26684	4.9
89.64888	4.2
91.05481	40.4
93.07061	28.8
95.04974	11.0
95.08614	30.5
97.10202	10.2
105.07035	39.5
107.04962	6.5
107.08598	23.7
109.10132	51.7
117.07007	5.1
119.08556	8.5
121.06531	9.1
121.10146	7.3
123.11754	6.7
131.08574	12.1
133.10143	52.1
135.07996	7.3
141.55606	4.5
149.09558	4.7
151.11223	18.4
161.09586	5.0
169.12242	6.6
192.24068	4.4
215.12889	4.7
251.49216	4.7
253.14348	95.9
273.18546	17.6
291.19427	30.0
309.20120	5.5
313.27338	99.0
314.28040	5.0
347.22208	10.6
351.36200	4.7
365.23248	32.4
509.38147	33.1
534.98676	4.7
603.46173	100.0
604.45660	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	962.6042
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05196	4.2
67.05509	31.3
69.01079	14.6
69.03432	4.5
69.07072	14.6
71.04998	3.5
71.08633	14.2
73.02932	1.9
79.05495	15.5
81.03421	3.3
81.07059	33.2
83.04971	8.4
83.08627	11.1
85.02884	3.1
85.06525	2.8
85.10183	10.2
91.03942	2.6
91.05485	22.2
93.07044	17.1
95.04970	3.7
95.08609	25.3
97.02901	4.7
97.06516	2.5
97.10139	4.5
98.22642	2.9
99.04455	1.8
105.07031	20.0
107.04992	4.6
107.08612	15.3
109.06547	3.6
109.09453	2.2
109.10159	26.5
111.08099	1.5
117.07045	4.4
119.08608	7.9
121.06539	4.1
121.10165	3.1
123.08033	2.6
123.11718	5.6
124.85788	1.5
125.09612	2.8
129.07031	1.8
129.64644	1.7
131.08592	8.0
133.06519	4.2
133.10126	25.0
135.08072	4.9
137.09634	2.6
143.08536	3.3
145.10117	6.6
147.08043	2.9
147.11713	2.5
149.09651	3.3
151.11189	11.2
157.10147	2.9
159.11771	1.9
161.09637	5.0
163.11104	2.0
171.11678	1.5
173.09579	2.2
175.11171	3.1
177.12901	1.5
186.07451	1.4
215.12901	2.6
223.13322	5.9
227.17879	1.6
239.23709	4.3
245.18880	4.2
249.14964	2.6
253.14365	31.6
254.14545	2.3
255.17538	2.7
263.20291	2.2
273.18512	19.1
291.19522	42.5
292.19824	1.9
311.25537	1.7
313.27362	85.0
314.27844	5.4
347.22302	9.7
365.18698	2.8
365.23224	36.6
366.23434	2.5
507.37027	3.7
509.38394	22.1
510.38345	1.9
585.45050	5.5
600.83386	1.7
603.46185	100.0
604.46265	9.8
621.46851	1.9
736.35596	1.8
899.91754	1.8
922.98175	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.5273
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	0.7
69.03419	0.8
69.07059	0.6
79.05505	1.3
81.03408	0.8
81.07081	1.1
83.08567	0.5
85.02912	0.8
91.05471	1.2
93.07027	0.8
95.04963	0.7
95.08598	0.7
97.06557	0.9
107.08614	0.6
109.02880	1.0
109.10199	0.8
119.08583	0.9
138.76012	0.6
144.52016	0.6
149.72276	0.6
228.35744	0.6
283.15475	0.7
454.17267	0.7
467.17410	0.6
468.14655	1.2
469.14896	5.6
470.15973	1.1
481.14502	1.3
482.15683	5.4
483.16632	7.0
484.17444	1.6
495.16498	1.1
496.17462	5.1
497.18192	31.6
498.18506	6.4
499.19736	0.6
510.19196	2.1
511.19525	3.8
512.20514	1.7
515.19678	2.0
528.16608	1.9
539.19843	0.7
541.17462	1.3
542.18213	2.1
555.18890	1.0
556.19531	3.0
557.20490	3.9
616.21863	1.6
629.22595	1.3
643.23914	8.0
644.24695	11.3
645.24927	1.9
657.25513	9.7
657.35852	0.5
675.26575	100.0
676.26868	13.5
676.37177	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.5625
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	22.3
69.03429	4.4
69.07072	7.5
71.01346	1.7
71.05002	3.3
73.02920	1.5
77.03912	0.8
79.05493	34.5
80.05840	1.1
81.03419	15.3
81.07056	27.2
83.01345	6.9
83.04981	9.2
83.08616	13.6
85.02908	6.8
85.06532	2.2
91.05479	33.4
92.05796	1.1
93.07043	39.9
95.04978	8.8
95.08607	15.3
97.02876	5.4
97.06520	5.6
97.10149	2.7
97.10722	0.6
99.04451	3.4
99.08076	1.1
103.05476	1.9
105.04477	1.4
105.07027	28.1
106.07340	0.8
107.04955	8.2
107.08593	20.2
109.02865	2.4
109.06506	7.6
109.10135	3.8
111.04463	3.5
111.08078	3.5
115.05467	1.7
117.07016	16.2
119.08579	26.6
120.08921	1.0
121.06522	5.5
121.09297	1.2
121.10141	18.9
122.10537	0.9
123.04477	1.0
123.08071	9.5
123.11739	1.1
125.05992	2.5
125.09606	2.8
127.03916	2.5
128.06235	2.1
129.07011	7.8
130.07764	2.0
131.08566	11.7
133.06470	0.9
133.10117	15.1
133.11067	1.1
134.10425	0.7
135.08038	3.4
135.11688	13.5
137.09627	3.4
139.07568	1.3
141.06990	2.6
142.07755	1.4
143.08572	6.9
144.09349	0.7
145.06505	2.1
145.10120	24.5
147.08040	3.2
147.11696	11.7
149.05939	0.7
149.09607	2.3
149.13216	2.3
153.12729	3.1
154.07770	0.9
155.08508	3.4
156.09348	0.8
157.06422	0.6
157.10130	4.8
158.07300	0.7
159.08138	1.1
159.11690	8.2
161.09676	1.4
161.13213	5.0
163.11177	26.8
164.11501	1.0
166.07721	0.9
167.08525	1.8
168.09387	0.6
169.10092	2.5
171.08093	0.8
171.11685	6.2
173.09596	3.7
173.13202	4.6
175.11220	1.3
175.14877	2.1
181.10190	1.1
181.12242	3.6
183.08003	0.7
183.11711	2.9
185.09602	0.7
185.13324	3.3
187.11192	0.8
187.14914	1.4
189.11203	1.1
189.12859	0.7
191.10643	3.2
195.11662	1.3
197.13211	1.8
199.14877	1.9
200.15567	0.6
203.14265	0.7
207.11705	1.1
209.09726	0.9
209.11662	8.7
209.13251	0.9
211.14990	0.8
213.16345	1.1
217.15813	1.0
221.13246	0.7
227.12761	7.2
241.19485	3.8
247.13351	1.0
251.14409	0.8
257.18958	1.5
259.20572	12.2
260.20834	0.8
265.14359	1.2
266.87018	0.6
271.20624	1.8
275.20081	2.2
277.14456	1.0
277.21478	1.0
283.15399	100.0
284.15762	5.8
289.21729	0.9
295.15430	1.0
295.20807	0.7
297.22168	1.5
299.20001	0.9
301.21536	2.0
313.21710	1.3
314.83200	0.7
315.23288	2.2
317.21121	0.8
321.22144	1.1
325.21576	1.4
329.21423	0.9
333.24112	6.1
339.23148	2.0
349.21899	1.2
353.15860	3.2
361.23801	0.8
367.22656	7.9
385.23785	6.1
403.24734	8.2
421.25995	4.7
473.25443	0.8
491.26370	43.1
492.26672	4.5
523.33704	1.1
524.34338	0.7
541.35223	8.0
542.35669	1.2
559.36066	1.4
649.37628	1.0
880.19507	0.7
964.58563	1.7
965.51935	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6185
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	38.3
69.03420	6.3
69.07072	22.1
71.04971	2.3
71.08632	45.0
73.02907	3.6
77.03937	1.9
79.05494	23.9
81.03412	6.9
81.06590	2.3
81.07056	41.1
83.04984	7.2
83.08620	16.5
84.23649	1.7
85.02902	12.9
85.06480	2.1
85.10187	18.1
87.04436	1.6
89.06003	2.8
91.03949	7.6
91.05486	24.7
93.07049	26.1
95.04953	5.7
95.08046	2.9
95.08605	36.5
97.02893	6.1
97.06509	5.2
97.10170	11.4
98.22514	3.0
99.08088	10.9
103.05554	1.4
103.07558	1.7
105.06387	1.8
105.07043	19.7
107.04929	3.3
107.08585	15.7
109.06491	2.8
109.10151	16.9
111.08086	2.6
117.07015	7.4
119.08562	14.8
121.06543	7.9
121.10143	8.1
123.11707	4.3
125.09602	4.3
127.03908	3.5
129.07014	3.3
131.08569	9.2
133.10156	11.9
135.11710	8.9
137.13249	2.8
141.07050	1.7
143.08591	2.4
145.04904	2.2
145.10120	6.5
147.11697	9.1
149.09636	2.1
149.13237	6.5
151.11142	2.9
157.10104	2.6
159.11670	6.9
161.13232	5.3
163.11230	2.5
167.46506	1.6
171.11612	2.5
173.13271	4.0
175.11110	2.0
176.30940	1.7
177.12686	2.4
185.13318	3.1
187.14784	2.0
193.12155	1.8
195.13879	2.2
210.36594	1.6
225.11264	2.0
239.23650	3.7
241.19469	4.4
257.18985	2.3
257.24863	2.2
259.20569	12.1
267.15939	2.2
269.17416	3.5
275.17477	1.5
275.19910	8.7
293.21100	100.0
294.21454	6.0
313.27353	99.6
314.27597	6.8
333.24265	10.7
349.23618	3.0
367.24799	25.3
368.24863	1.6
403.57248	1.6
470.71854	1.6
507.40509	14.9
521.82257	1.7
523.39600	4.4
571.46844	3.0
587.46423	4.7
589.48157	9.2
605.47760	64.2
606.47864	7.8
990.97095	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6202
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	25.2
69.03437	3.9
69.07069	13.4
69.43662	4.3
70.06535	0.8
71.04986	1.8
71.08633	19.9
73.02917	0.9
79.05494	19.4
81.03435	4.9
81.07054	30.2
82.89742	0.7
83.04966	3.1
83.08619	11.1
85.02904	6.4
85.06541	1.6
85.10180	11.3
89.06020	1.0
91.03962	2.7
91.04907	0.8
91.05476	17.0
93.07043	16.0
95.04970	2.8
95.08606	24.6
95.57661	0.8
96.08907	1.0
97.02885	4.4
97.06527	6.1
97.10165	13.1
98.23444	0.8
98.96310	0.8
99.08075	1.0
103.05469	1.2
103.07554	1.0
105.04519	1.2
105.07031	15.4
107.04962	4.0
107.08583	18.4
107.09288	1.1
109.02897	2.0
109.06508	2.6
109.10160	13.9
111.08083	2.0
111.11682	1.1
117.06999	6.1
119.08575	11.0
121.06490	1.9
121.10154	6.5
123.08083	2.6
123.11689	3.9
125.09638	7.4
127.03918	3.7
128.06245	0.8
129.05495	1.0
129.07007	2.4
131.08562	7.7
133.10126	8.9
135.08046	2.5
135.11702	4.1
137.09653	1.6
137.13225	1.5
141.06999	1.5
143.08551	2.5
145.04977	1.1
145.10115	8.2
147.08044	0.7
147.11676	6.4
149.09619	7.6
149.10728	1.0
149.13257	2.5
151.11214	1.0
153.09111	0.7
157.10117	2.1
159.11685	5.9
161.09679	0.9
161.13280	2.3
163.06049	0.7
163.11221	2.6
165.12651	1.0
169.10138	0.9
171.10303	0.9
171.11697	1.8
173.09613	1.1
173.11816	1.6
173.13252	3.2
174.06599	0.7
177.12675	1.0
179.14322	1.2
183.11758	1.6
185.13326	1.5
187.11095	0.7
189.11215	5.2
197.13226	1.5
219.17506	0.9
227.12813	12.8
229.14360	4.1
239.17996	2.3
239.23717	3.3
247.20715	1.3
255.16077	0.8
257.18976	6.8
257.24774	1.7
267.15878	2.3
269.17413	3.7
275.20059	27.1
276.20303	0.8
283.15390	0.9
293.21149	2.2
309.20645	1.1
313.27347	100.0
314.27643	5.6
331.22495	4.3
349.23740	30.2
350.24005	2.3
367.24683	1.4
389.17838	1.1
409.33096	2.0
467.37274	8.6
467.48047	0.7
468.37228	0.7
483.36734	9.2
491.40814	1.9
493.38855	2.3
507.40366	13.4
508.40533	0.9
523.39679	2.7
547.43530	4.1
569.45203	1.1
587.46698	72.7
588.46936	8.4
605.47931	7.5
627.40649	1.4
728.44464	0.8
756.09723	0.9
834.85535	0.8
964.55408	1.4
965.53528	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6196
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	21.0
69.03432	4.3
69.07065	13.3
71.05013	2.2
71.08635	16.5
73.02889	1.2
79.05494	25.4
81.03427	3.6
81.07056	25.1
83.04958	2.3
83.08614	15.5
83.09063	1.6
83.69950	0.9
85.02906	5.5
85.06571	1.4
85.10181	11.9
88.15081	1.2
91.03941	1.7
91.05473	14.0
93.07059	12.1
95.04972	2.4
95.08601	22.3
97.02884	1.9
97.06537	2.3
97.10166	27.5
98.23367	2.4
100.73225	1.1
105.07021	18.0
107.04949	3.1
107.07873	1.5
107.08593	31.0
108.08983	1.3
109.02895	2.5
109.06528	1.9
109.10155	11.8
111.08052	1.5
111.11713	1.6
115.05454	1.2
117.07026	5.4
119.08580	8.2
121.10137	4.6
123.11703	4.6
125.09630	23.0
127.03918	3.5
129.06992	1.8
129.30055	1.0
131.08571	4.7
133.10097	8.2
135.08040	2.7
135.11662	2.3
137.09586	1.2
137.13306	1.1
143.08502	1.5
145.10120	11.3
147.11693	7.4
149.09610	4.4
153.09113	1.4
155.08554	1.2
157.10103	1.7
159.11688	4.7
161.09576	1.1
163.11223	2.0
164.13177	1.3
171.10110	1.4
171.11568	1.6
173.13208	2.3
177.12788	1.4
184.86418	1.0
185.13196	1.7
189.11212	11.0
214.13022	1.1
227.12775	39.8
239.18085	2.1
239.23657	3.2
245.13913	1.6
257.18970	7.5
257.24728	1.4
275.20035	31.1
276.20233	1.3
311.25604	1.3
313.27353	97.0
314.27670	5.7
331.22668	7.9
349.23727	42.2
350.23981	3.1
367.24802	1.4
389.17978	3.4
449.06232	1.3
483.36755	26.6
523.39935	2.0
569.45441	4.2
587.46667	100.0
588.46844	9.9
605.47852	6.6
627.41107	6.5
965.52954	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	964.6198
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	46.9
69.03448	5.8
69.07079	22.1
71.04985	3.7
71.08632	31.4
72.08978	1.2
73.02913	3.3
79.05492	31.6
81.03418	8.8
81.07056	57.3
82.07388	1.3
83.04984	8.5
83.08618	20.2
85.02901	10.7
85.06530	2.9
85.10181	21.0
89.06049	1.6
91.03943	4.5
91.05479	27.7
93.07042	34.8
93.07628	1.8
95.04978	6.4
95.08603	42.1
97.02883	6.7
97.06532	8.2
97.10172	8.5
98.23399	1.5
99.04462	2.0
99.08083	2.5
103.07582	1.2
105.04576	0.9
105.07027	20.0
106.07379	0.8
107.04971	5.7
107.08593	21.9
109.02889	2.3
109.06516	3.9
109.10155	18.8
111.04453	1.4
111.08054	2.9
111.11720	1.7
113.09637	0.9
113.80956	0.8
115.05463	0.9
117.07012	10.4
119.08566	11.4
121.06491	2.9
121.10133	14.0
123.08054	2.0
123.11705	6.0
125.09641	2.9
127.03919	3.7
128.06215	1.5
129.05438	1.3
129.07002	2.9
131.08565	11.5
133.06505	1.3
133.10129	14.1
135.08051	3.1
135.11702	9.6
137.09619	2.3
137.13269	2.3
141.07004	1.4
142.07924	0.9
143.08575	3.0
145.04941	2.4
145.10107	8.6
147.08046	0.9
147.11676	6.5
148.11966	0.9
149.09633	6.5
149.13263	9.6
151.11203	1.5
155.08501	1.3
157.10120	2.6
159.08058	0.9
159.11685	8.8
159.35138	0.8
161.13274	2.3
163.05936	1.2
163.11186	4.3
167.74940	0.9
169.10103	1.0
171.11662	1.5
173.04425	2.2
173.09547	1.2
173.13220	4.0
173.78346	0.8
177.12758	3.1
179.14313	1.7
187.11177	0.9
189.11168	1.2
195.13824	5.1
199.14767	0.9
219.20871	0.9
227.12712	2.2
229.14290	1.2
239.17905	1.1
239.23648	3.6
247.20615	1.7
255.13538	0.9
255.15874	4.7
257.19019	4.4
257.24750	2.5
267.15906	1.8
269.17477	20.4
275.20041	15.4
276.20334	1.0
293.21118	1.6
302.85730	1.0
309.20709	1.7
313.27350	100.0
314.27594	6.2
331.22736	2.0
349.23779	15.6
350.23807	1.7
367.24783	2.8
389.02603	0.9
395.20081	0.9
413.21280	1.9
424.40253	0.8
456.93646	0.7
467.37018	2.3
483.36652	1.4
493.38898	17.8
494.38882	1.2
507.40451	91.2
508.40833	10.8
521.41718	1.0
523.40051	1.2
541.46411	0.8
547.43652	6.0
587.46686	26.7
588.46692	3.3
605.47681	8.3
606.48029	1.4
611.40582	1.0
651.44421	2.2
864.17816	0.9
976.47595	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6197
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	27.6
69.03427	4.4
69.07069	16.7
70.88615	0.7
71.04975	2.7
71.08629	22.0
73.02925	1.7
73.46318	0.9
74.96593	0.7
75.28313	0.8
79.05067	1.5
79.05495	23.5
81.03409	4.2
81.07054	35.0
81.07529	1.9
83.04984	3.4
83.08619	15.0
85.02897	8.8
85.06537	1.4
85.10178	11.3
89.06033	2.2
91.03963	3.3
91.05474	20.2
91.06010	1.4
93.07042	18.0
95.04975	3.9
95.08605	26.8
97.02898	4.4
97.06537	6.5
97.10164	16.4
99.08086	1.1
101.06006	1.0
103.05417	1.5
103.07561	1.4
105.04452	0.9
105.07027	18.1
105.07680	1.6
107.04948	4.4
107.08584	26.2
108.08936	0.9
109.02876	2.1
109.06525	2.8
109.10159	16.0
111.04440	1.1
111.08086	1.6
111.11736	1.3
115.05447	1.5
117.07001	7.8
119.08578	12.4
121.06499	2.2
121.10143	6.1
123.08032	1.6
123.11693	4.6
125.09626	11.6
127.03902	2.8
129.07013	1.8
131.08556	8.1
133.10124	11.8
135.08060	3.6
135.11673	4.8
137.09598	1.5
137.13243	1.5
141.06944	1.2
143.08530	2.5
145.04967	1.9
145.10127	11.1
147.08087	1.4
147.11691	7.5
149.09631	7.6
149.13271	1.7
151.11188	1.1
153.09138	1.0
157.10098	2.7
159.11693	6.4
161.13255	2.3
163.11168	4.8
169.10184	1.4
170.63918	1.0
171.11726	2.4
173.11850	1.4
173.13306	3.2
175.11165	1.4
177.12746	1.9
179.14346	1.3
181.55887	0.8
183.11696	2.2
185.13280	1.9
187.11154	1.1
189.11194	6.9
197.13326	1.2
227.12770	19.1
227.14813	1.7
228.13168	1.1
229.14316	3.8
229.19502	1.9
239.17950	2.1
239.23717	3.2
247.20544	2.0
255.15862	1.5
257.18991	8.9
257.24744	1.4
267.15921	1.2
269.17462	2.9
275.20056	34.7
276.20343	1.8
293.21063	2.8
313.27347	100.0
314.27597	5.9
331.22516	5.4
337.83780	1.0
349.23727	34.6
350.24216	2.6
367.24893	1.7
389.17834	1.0
409.33167	2.2
467.37152	7.4
483.36694	12.7
484.36630	1.1
491.40921	2.6
493.38495	2.3
507.40295	13.1
508.40936	1.0
547.43732	1.5
569.44946	1.1
587.46680	77.3
588.46802	11.3
605.47662	7.1
627.40076	2.0
651.44775	1.2
730.00616	1.1
775.25439	0.9
965.53662	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.6358
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	33.9
69.03435	5.9
69.07071	13.7
69.73394	4.4
71.05000	1.3
71.08634	27.8
73.02920	2.9
79.05076	0.5
79.05493	19.0
81.03424	8.3
81.07059	42.5
82.18777	1.0
83.04990	6.5
83.08624	15.3
85.02908	6.6
85.06546	1.9
85.10186	14.5
89.06020	2.0
91.03960	2.6
91.05479	12.3
93.07047	21.4
95.04966	5.3
95.08609	28.9
97.02895	5.3
97.06537	4.1
97.10172	7.0
98.22684	1.8
99.04455	2.3
99.08088	5.2
105.07044	8.7
107.04958	2.2
107.08600	12.5
109.02883	3.2
109.06535	1.2
109.10160	13.4
111.04478	1.4
111.08076	3.3
111.11676	1.6
117.07003	5.4
119.08591	4.3
121.06543	1.1
121.10152	5.4
123.11710	4.8
125.09623	2.4
127.03939	4.3
129.05510	2.5
129.07024	1.9
131.08597	5.5
133.10135	5.8
135.07983	1.3
135.11707	6.5
139.11212	1.1
143.08594	1.9
145.04938	2.1
145.10120	1.1
147.11693	3.4
149.13264	8.5
151.11194	5.9
159.11685	4.1
161.13264	2.9
163.05995	1.1
163.11189	2.4
165.12775	1.6
165.70651	0.9
171.11731	1.0
173.04433	2.0
173.11787	1.1
175.14748	1.4
177.12810	2.4
179.14285	2.7
185.13208	1.0
189.11223	1.4
191.86740	0.9
195.13823	3.8
227.12787	2.7
229.14468	4.2
231.20871	0.9
239.23720	3.0
245.13849	1.0
257.24713	2.9
259.20551	2.0
261.14850	1.4
269.14713	1.4
269.17499	25.0
269.20425	1.7
277.21588	5.7
293.17307	1.0
313.27362	85.3
314.27731	5.3
339.18521	0.9
351.25366	10.4
359.18359	0.9
395.20935	0.9
411.34793	3.1
413.21738	2.3
467.37485	7.0
483.36774	2.4
491.40283	0.9
507.40451	100.0
508.40771	8.5
509.40967	1.0
546.01801	0.9
589.48279	20.4
590.48315	1.3
607.48773	2.0
611.41046	1.5
628.38660	1.0
651.44263	2.6
654.66199	1.1
967.55743	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	967.5592
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	6.0
67.05792	0.5
69.03437	3.4
69.07085	2.1
71.01363	0.6
71.05004	0.9
71.08637	4.1
73.02913	4.5
79.05486	2.5
81.03444	2.3
81.07059	4.5
83.04996	1.4
83.08642	2.2
85.02903	7.4
85.10213	2.0
91.03948	3.6
91.05516	1.7
93.07067	2.1
95.04977	0.7
95.08602	4.6
96.08978	0.6
97.02903	6.6
97.10207	2.4
99.04490	1.4
101.02396	2.3
105.07062	1.7
107.08606	1.2
109.02905	1.4
109.09490	0.6
109.10189	2.3
110.81754	0.5
115.04024	0.6
117.07032	0.6
119.08636	0.8
123.11729	0.7
125.09650	1.3
127.03958	2.5
128.97536	0.5
131.08658	0.7
133.10147	0.8
179.14267	0.6
185.04303	1.3
203.05368	1.0
223.13379	0.6
229.14453	1.1
232.54468	0.5
243.08376	2.9
245.19356	0.6
245.65508	0.6
277.21466	0.7
313.27264	4.4
314.27789	2.5
331.19150	1.2
347.09586	2.3
351.25482	1.5
363.09195	1.1
365.10443	0.7
405.13638	8.0
405.18060	0.6
497.30869	6.8
549.27209	2.5
589.49011	1.6
590.48553	2.4
659.35962	9.9
660.36847	0.6
711.31921	2.5
746.95142	0.6
805.50867	1.8
967.55951	100.0
968.56366	15.8
968.73053	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.5755
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	1.7
69.03431	3.0
69.07081	1.0
69.79256	0.2
71.01357	0.6
71.05004	0.4
71.08627	1.3
73.02917	3.2
76.55071	0.2
79.05508	1.3
81.03429	1.9
81.07064	2.3
83.04976	0.4
83.08627	1.1
84.43983	0.2
85.02908	5.1
85.10192	0.7
87.04492	0.3
91.03958	3.6
91.05505	1.1
92.50431	0.2
93.07039	1.4
95.08610	1.5
97.02901	5.6
97.03516	0.3
97.10201	0.3
98.23386	0.5
99.04479	0.8
101.02378	1.7
103.03947	0.4
105.07066	0.5
107.08589	0.4
109.02915	0.7
109.10187	1.0
115.03923	0.3
119.08581	0.6
121.10155	0.4
123.11821	0.3
127.03934	1.6
129.05467	0.3
131.08591	0.3
133.10184	0.4
135.11716	0.6
143.31511	0.3
144.82541	0.3
145.04990	0.4
167.49556	0.3
185.04279	0.8
201.03656	0.3
203.05391	0.7
215.66286	0.3
239.23792	0.4
243.08424	2.1
313.27441	1.2
314.27643	0.3
333.20419	1.8
347.09521	2.3
363.09048	0.3
365.10519	1.2
389.23389	0.4
405.13666	6.1
439.19443	0.7
453.21194	0.9
497.30844	6.1
551.28314	2.8
621.26270	0.3
659.25012	0.4
659.36157	8.7
660.36658	0.6
709.45697	0.3
713.33716	2.7
807.52435	1.2
871.50867	0.8
969.57520	100.0
970.57849	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	973.7657
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07063	1.8
69.09457	0.7
69.09872	1.2
71.08633	1.7
72.91756	0.2
73.02903	0.7
75.04118	0.2
75.04488	2.6
79.05468	0.6
81.07063	1.6
82.97733	0.2
83.04962	0.4
83.08620	1.1
84.08113	0.5
85.02905	1.7
85.10145	0.7
86.43170	0.2
87.04466	3.4
88.68909	0.3
93.05498	0.3
93.07004	0.6
95.08580	2.1
97.10133	0.6
100.11235	0.4
101.05932	0.3
102.05520	0.4
103.03886	0.6
105.05483	0.7
105.07017	0.3
109.10131	0.8
113.05983	0.9
115.98617	0.2
115.99423	0.2
121.10194	0.3
123.11783	0.3
127.25736	0.2
130.08563	0.4
131.07057	1.9
135.11656	0.3
144.10196	8.5
152.82739	0.3
159.06610	0.3
162.11270	2.7
200.12764	0.6
218.13913	0.8
236.14919	100.0
237.15306	2.6
313.27405	0.6
319.05716	0.2
330.30038	0.2
412.37650	0.5
438.39673	0.5
456.36749	8.2
457.36911	0.5
474.37891	52.2
475.38208	3.8
482.38382	10.0
482.45422	0.5
483.38467	0.7
500.39444	54.1
501.39838	3.9
716.89337	0.2
973.52185	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	978.5404
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03434	13.4
69.06721	1.5
69.07066	13.5
70.80757	1.0
71.01352	1.8
71.04993	9.1
71.28369	1.1
71.28713	1.4
73.06567	1.0
73.19028	0.9
79.05493	42.6
79.42174	0.9
80.05843	1.0
81.03418	27.4
81.07057	56.0
83.01349	9.1
83.04977	20.1
83.08617	14.7
85.02905	9.7
85.06538	5.0
91.05479	59.4
93.07043	47.9
94.22779	1.0
94.72882	0.9
95.04974	17.1
95.08046	1.8
95.08603	21.6
95.09170	1.9
97.02888	8.7
97.06538	8.8
97.10171	3.5
99.04446	6.0
99.08099	1.7
103.05465	2.6
105.04520	1.6
105.07032	51.1
106.07322	1.3
107.04956	11.7
107.08598	36.1
108.04560	1.1
109.02869	10.3
109.06526	12.4
109.10155	42.3
111.04459	3.5
111.08080	3.8
113.05997	2.6
115.05442	2.5
115.71170	1.0
117.07018	15.1
119.04895	1.2
119.08585	16.3
120.70956	1.0
121.06519	8.4
121.10143	12.8
123.04407	1.3
123.08070	12.7
123.11690	6.4
125.05952	2.0
125.09667	2.2
127.03922	15.6
127.07519	1.4
128.06207	2.0
129.06995	4.3
130.07823	1.7
131.04919	1.7
131.08580	13.1
133.06494	4.0
133.10121	56.3
135.08051	6.1
135.11703	12.2
137.09637	2.3
139.09198	1.2
141.07025	1.6
143.08586	5.5
145.04930	1.3
145.06471	1.8
145.10115	20.6
147.08058	4.6
147.11671	4.2
149.09633	7.4
149.13251	2.0
151.11188	29.5
153.12743	3.1
155.08577	1.8
157.10172	2.5
159.08040	1.6
159.11642	3.0
161.09608	6.8
161.13275	2.5
163.09819	1.3
163.11180	26.9
167.10565	1.3
169.12233	7.7
171.11702	2.4
173.09633	3.9
175.11201	2.8
177.09138	1.4
179.10716	2.2
181.12265	4.6
187.11169	1.7
189.12703	2.1
191.10681	4.2
207.13789	4.1
209.11720	15.1
215.12755	5.2
219.83116	1.0
227.12794	10.5
227.17969	1.7
245.19022	3.0
251.12848	2.1
253.14343	100.0
254.14795	2.3
255.17546	2.3
263.20074	4.1
273.18491	23.0
275.20197	1.3
281.17407	1.5
283.15378	48.0
284.15710	2.0
291.19519	19.2
309.20511	1.7
311.15042	1.3
323.14893	4.5
341.15906	4.3
347.22055	5.2
353.15887	7.4
365.23242	18.0
435.23572	3.2
475.30435	3.8
479.26392	33.9
480.26773	1.7
489.28278	1.2
491.26260	4.3
505.27448	1.3
555.32892	5.3
573.34198	31.2
574.34283	3.4
978.51709	1.4
979.49420	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	978.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	7.4
69.07068	13.7
71.01334	0.7
71.04986	2.8
71.29652	0.6
77.03913	0.7
79.05493	23.9
80.05805	0.7
81.02934	0.6
81.03416	13.0
81.07055	19.4
81.28423	0.6
83.01353	4.4
83.04980	8.3
83.08622	11.1
85.02905	4.8
89.24677	0.6
91.05482	18.9
93.06474	1.1
93.07044	21.2
95.04973	7.7
95.08608	8.9
97.02898	7.6
97.06529	3.9
97.10168	7.9
99.04452	2.4
99.08109	0.7
105.04536	0.9
105.07031	12.9
107.04957	8.0
107.08594	14.1
109.02864	4.7
109.06526	6.3
109.10142	4.7
111.04446	1.8
111.08095	2.0
115.05455	1.4
116.06282	1.1
117.07008	7.1
119.04945	1.0
119.08578	11.3
121.06496	3.8
121.10131	7.9
123.04380	0.8
123.08061	5.6
123.11725	0.9
125.05998	1.5
125.09608	5.6
127.03912	9.3
127.38151	0.6
127.54929	0.5
128.06161	0.7
129.07037	3.5
130.07813	1.3
131.08597	8.4
133.06517	3.2
133.10126	3.9
134.07277	1.0
135.08063	3.2
135.11673	6.4
137.09627	2.3
141.06963	0.6
143.08609	2.8
145.04852	0.6
145.06453	0.7
145.09007	1.0
145.10129	11.5
147.08070	5.8
147.11697	1.9
149.09596	1.4
149.13310	1.4
153.09099	0.8
153.12709	1.2
155.08531	1.8
157.10165	1.4
159.11678	2.0
161.09621	2.0
162.10341	1.0
163.11183	16.1
169.12221	0.8
170.97861	0.6
171.11638	1.5
173.09608	3.1
175.11189	1.1
177.12720	1.4
181.12219	2.6
185.13246	1.0
189.11212	2.7
189.12724	0.9
191.10651	2.5
191.57486	0.6
195.13759	0.7
205.06459	0.7
205.12224	1.4
209.04030	0.7
209.11748	7.4
223.13292	11.1
227.12706	6.9
227.17763	0.9
245.18988	1.3
249.14859	2.6
255.17374	0.6
263.20233	0.8
273.18457	10.8
274.18915	1.1
283.15393	37.9
284.15829	1.8
291.19531	100.0
292.19818	5.4
347.22076	0.9
353.15799	3.9
365.23236	20.7
366.23489	1.3
435.23767	4.3
453.24924	0.9
474.66400	0.6
491.26459	3.1
573.34210	37.8
574.34552	2.8
839.31549	0.8
978.51312	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	978.599
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	4.5
69.07076	12.7
71.04981	3.1
71.08632	15.1
71.09023	1.8
73.02924	2.1
79.05493	18.5
81.03403	10.3
81.07059	23.8
83.04976	4.6
83.08620	11.9
85.02905	6.7
85.10186	13.0
89.06011	1.9
91.03947	3.0
91.05474	15.3
93.07047	17.2
93.93745	1.1
95.04974	9.3
95.08599	22.4
97.02885	4.7
97.06535	10.2
97.10192	9.2
105.07020	10.8
107.04955	11.6
107.08589	9.4
109.02885	2.9
109.06518	10.1
109.10155	10.6
111.08129	1.3
113.05980	2.8
115.05406	1.4
115.07568	2.3
117.07005	4.6
119.08578	9.2
120.98903	1.2
121.02853	9.1
121.06509	11.4
121.10169	7.2
123.04454	1.2
123.08068	8.3
123.11692	2.6
125.06031	5.7
125.09616	6.5
127.03925	2.3
129.07037	3.6
131.06992	1.3
131.08578	8.0
133.06473	3.5
133.10104	4.9
135.08058	9.5
137.09608	2.4
137.13286	1.5
139.11166	1.5
141.06978	2.1
143.08574	3.4
145.06491	3.3
145.10127	3.0
147.08006	3.3
147.11684	3.5
149.09610	4.8
151.07536	3.5
155.08551	2.2
157.10153	2.6
159.08054	15.9
159.11707	2.5
161.09584	2.2
163.07526	7.4
163.11218	2.4
169.10146	2.2
171.11697	2.2
173.09676	2.3
175.11140	3.3
177.09113	2.8
187.14812	1.7
189.11209	3.5
191.10716	2.1
191.14268	1.4
193.12289	5.4
197.13333	1.9
211.11159	1.4
211.52896	1.4
215.14418	1.8
219.13815	9.3
221.11784	3.3
226.23355	1.3
227.12659	3.2
229.56560	1.8
233.15384	16.6
237.14929	2.2
239.23640	3.8
241.14420	4.2
247.13402	1.4
251.16479	1.6
253.15886	2.2
257.24933	1.3
267.15906	4.3
271.16907	9.7
283.15292	1.6
289.14838	2.2
289.17996	27.1
291.19684	1.4
293.17395	3.2
305.61093	1.2
307.19000	8.7
312.99597	1.2
313.16550	2.6
313.27356	100.0
314.27689	5.9
345.20697	4.4
363.21567	11.0
381.22681	7.6
453.51514	1.4
479.37439	4.7
483.36929	3.3
497.38022	1.9
505.38675	5.0
531.40350	1.6
533.38538	1.7
551.39038	5.2
559.39954	2.2
601.44550	17.0
602.45032	2.9
619.45587	16.8
620.45624	2.6
637.46295	5.3
638.47064	1.9
719.62964	1.2
728.62762	1.3
781.50153	2.2
839.67432	1.5
978.55682	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.5573
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	12.2
69.07069	17.7
69.57652	2.0
69.58008	4.8
71.01346	2.9
71.04993	10.2
72.65300	1.0
73.02905	1.1
77.03942	2.0
79.05494	60.1
81.03419	37.4
81.07054	69.4
82.07375	1.5
83.01338	13.1
83.04984	23.2
83.08620	21.3
83.41708	1.1
85.02905	13.4
85.06545	4.1
91.05479	58.3
93.07045	73.7
94.07382	1.2
95.04959	22.5
95.08604	28.0
97.02899	10.8
97.06519	15.6
97.10168	6.0
99.04447	6.5
99.08098	2.9
103.03944	1.4
103.05498	2.1
105.04539	2.9
105.07035	43.2
107.04961	18.6
107.08596	42.2
109.02869	11.1
109.06523	15.0
109.10161	11.5
111.04455	7.3
111.08112	5.7
113.06016	1.4
115.05449	1.9
117.07015	24.5
119.08573	28.8
120.08971	1.7
120.93520	1.1
121.06513	13.8
121.10142	24.6
123.04464	1.9
123.08060	13.6
125.06000	2.5
125.09682	3.1
127.03918	13.5
128.06261	2.9
129.07002	6.4
130.07802	5.1
131.04890	1.6
131.08575	19.9
133.06522	3.3
133.10115	20.1
135.08073	9.6
135.10678	1.8
135.11691	26.6
137.09656	5.8
139.07489	2.2
141.06995	2.7
143.08548	7.4
145.05037	1.6
145.06473	2.9
145.10120	32.1
147.08020	5.5
147.11705	8.6
149.09612	9.8
149.13258	8.6
151.11218	3.2
153.12758	4.8
154.41843	1.3
155.08563	3.8
157.10133	4.5
159.08043	1.5
159.11725	10.1
161.09619	3.6
161.13268	3.8
163.11188	51.4
169.10138	2.8
171.08110	1.4
171.11703	2.4
173.09627	6.3
173.13283	3.4
175.11124	2.0
177.12750	4.7
179.10666	1.4
179.14343	1.4
181.12234	9.0
182.54552	1.1
183.11679	2.1
184.07288	1.3
185.13211	1.2
187.11258	1.2
189.09090	1.9
189.11232	1.3
191.10672	7.4
193.12259	2.0
195.13776	8.8
201.12828	1.5
207.10187	1.5
209.11720	25.6
209.13535	1.8
210.12032	1.8
213.14868	3.1
225.11227	2.8
227.12785	18.0
229.14211	1.2
233.15373	1.6
239.18036	2.0
247.20609	1.9
253.14362	2.2
255.15820	8.6
257.19083	8.0
259.20685	2.6
261.14777	2.0
267.15854	1.7
269.17432	22.8
270.17685	1.6
273.18600	2.6
275.17023	1.2
275.20041	25.0
276.20337	1.5
281.13922	1.5
283.15402	100.0
284.15839	6.1
285.14944	2.0
291.19620	2.1
292.19699	1.2
293.21008	2.6
299.14923	4.2
303.15906	2.7
311.14975	2.0
321.16904	1.6
331.22751	1.6
333.24142	2.2
339.18057	5.4
349.23703	14.2
350.23886	1.9
353.15909	12.0
367.25052	2.7
371.17276	1.7
419.24335	3.0
437.25198	3.3
451.23346	1.5
459.27390	1.9
463.26828	17.5
475.26883	1.4
477.28479	76.6
478.28873	5.6
491.26367	12.9
492.27045	1.8
507.26242	1.2
557.34772	16.8
558.35034	1.4
575.35614	5.1
614.74976	1.3
636.32367	1.4
873.06097	1.2
933.93994	1.4
980.51178	4.3
981.48730	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.5577
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	12.1
69.07072	18.7
70.50379	1.1
71.01371	2.6
71.04990	6.6
77.03934	1.5
79.05492	57.7
81.03419	34.7
81.03794	1.0
81.07054	49.6
82.59580	1.0
83.01339	10.1
83.04981	17.5
83.08616	18.0
85.02898	13.3
85.06552	3.8
91.05479	53.0
93.07040	59.4
95.04959	18.1
95.08604	28.3
97.02882	10.5
97.06534	13.1
97.10155	8.1
98.22648	3.2
99.04453	3.2
99.08067	3.0
103.03913	1.5
103.05450	2.3
105.04532	2.3
105.07025	39.7
107.04953	16.6
107.08587	33.6
109.02872	14.2
109.06512	12.4
109.10160	9.7
111.04438	5.8
111.08077	5.4
113.09631	1.6
114.40833	1.1
115.05441	3.2
116.06228	1.9
117.07014	23.5
119.04924	1.2
119.08578	30.1
121.06519	10.8
121.10140	16.1
123.04436	1.4
123.08067	14.3
123.11747	2.6
125.05948	2.4
125.09627	5.9
127.03908	18.3
127.04784	1.4
128.06189	2.4
129.05507	1.4
129.06989	7.5
130.07796	2.9
131.04967	1.7
131.08571	19.2
133.06468	2.8
133.10138	19.2
134.10379	1.2
135.08066	6.9
135.11691	23.7
137.09639	3.6
139.07506	1.1
141.06949	3.1
142.07779	2.2
143.08585	7.1
145.05043	1.0
145.06494	3.7
145.10124	28.3
147.08020	5.6
147.11699	9.5
149.05972	1.6
149.09624	11.8
149.13268	4.6
151.11176	1.4
153.09227	1.4
153.12741	2.8
155.08569	3.6
157.10146	3.7
159.08087	1.3
159.11705	10.6
161.09604	3.2
161.13251	3.8
163.09816	1.9
163.11188	38.6
165.09093	1.4
169.10156	3.4
171.08075	1.0
171.11703	3.9
172.06137	1.5
173.06984	1.9
173.09651	4.3
173.13304	4.6
174.07819	1.6
175.11150	2.6
175.14917	1.1
177.09146	1.1
177.12767	2.7
179.14337	2.0
181.10799	1.4
181.12224	7.0
183.11816	1.7
184.07416	1.8
185.13268	2.6
187.11130	1.4
189.09401	1.8
189.11227	5.6
189.12708	1.7
191.10663	4.2
193.12198	1.7
195.13828	5.9
197.13249	1.7
201.12752	1.1
203.14386	1.5
209.11691	16.1
209.13499	1.1
211.13252	2.4
213.14789	2.3
223.13268	2.2
225.11147	1.5
227.12753	20.8
229.19637	1.4
231.13841	1.1
233.15430	1.7
235.16971	1.3
239.17987	3.7
247.20634	1.4
255.15866	2.0
257.15536	1.1
257.18927	7.6
261.14899	1.7
267.15958	1.7
269.14716	1.1
269.17535	4.1
273.18509	1.9
275.16940	1.1
275.20053	31.8
277.14188	1.1
283.15387	100.0
284.15836	3.2
285.17264	1.7
291.19452	7.7
293.21075	2.6
303.15897	3.7
309.20724	1.7
317.20816	1.5
321.16849	2.9
325.16385	2.4
326.16122	11.4
330.46204	1.2
331.22641	1.2
339.18008	6.7
342.65927	1.1
349.23761	12.4
353.15814	7.6
365.22427	1.3
418.20731	2.7
419.24115	5.5
437.25107	2.9
453.24838	1.8
463.26904	2.0
477.28424	16.8
491.26370	27.5
517.31488	3.2
539.33710	1.8
557.34753	15.8
573.33960	3.1
575.35651	3.0
638.42499	2.0
656.43622	6.7
894.44867	1.9
980.52209	3.2
981.51935	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	982.631
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03434	2.0
69.07077	11.9
71.08637	21.4
79.05499	17.8
81.03406	3.3
81.07059	34.3
83.04978	2.5
83.08624	15.4
85.02895	5.3
85.06553	2.5
85.10183	11.5
91.03969	3.5
91.05486	13.8
91.47950	1.3
93.07051	13.9
95.04939	2.4
95.08611	26.8
97.02876	2.9
97.06520	5.7
97.10169	8.1
101.44474	1.4
105.07046	12.0
107.04958	3.7
107.08575	15.4
109.06528	1.8
109.09445	2.9
109.10154	32.4
111.08092	2.4
117.06996	6.7
119.08601	7.1
121.06468	1.6
121.10139	4.3
123.11723	5.7
125.09651	5.6
129.07083	2.5
131.08585	5.2
133.10107	6.1
135.08063	2.5
135.11717	4.0
135.28354	1.3
143.08539	1.7
145.10121	6.2
147.11662	5.3
149.09618	3.6
149.13287	4.2
151.14731	1.6
155.10574	1.5
157.10237	1.7
159.11719	3.5
163.11296	2.8
173.11746	6.0
173.13193	1.6
203.12701	1.8
208.96957	1.4
227.12712	6.6
229.14401	24.2
239.23615	2.8
257.19098	1.6
257.24786	2.5
269.17526	6.9
275.20132	12.2
313.27353	100.0
314.27640	6.5
349.23706	12.5
367.24896	7.1
396.97467	1.6
467.37289	38.0
468.37589	3.9
483.36615	2.9
507.40497	37.4
508.40775	4.0
587.46747	30.0
588.47162	3.0
605.47687	17.4
606.47717	2.7
611.41754	3.1
623.42908	1.7
651.44147	1.9
982.53210	3.6
983.54852	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	983.4975
Annotation	Unknow
Peak:m/z	Relative Intensity
68.08478	0.5
69.03439	1.6
69.07079	2.4
71.04993	0.8
71.29527	0.9
79.05497	6.2
80.05852	0.6
81.03437	2.8
81.07062	5.0
83.01356	1.3
83.04989	2.7
83.08627	1.6
85.02918	1.6
91.05479	4.7
92.74911	0.7
93.07040	6.4
95.04977	2.5
95.08617	2.9
97.02921	2.0
97.06544	0.7
97.10181	1.3
99.04488	0.8
105.07020	3.0
107.04996	2.2
107.08592	4.3
109.02902	1.2
109.06525	1.4
109.10193	1.1
111.04430	0.6
117.07048	2.4
119.08617	2.5
120.71958	0.5
121.06534	0.8
121.10169	1.8
123.08089	1.6
124.43971	0.5
125.06062	0.5
125.09592	0.9
126.40401	0.5
127.03942	1.0
129.07042	0.9
131.08583	1.5
133.10187	1.1
135.11694	2.7
139.11115	0.6
143.08578	0.6
145.10075	2.7
147.08060	0.7
147.11798	0.8
148.48726	0.6
163.11171	4.6
209.11649	1.0
223.13318	0.9
227.12587	0.6
283.15469	1.5
291.19604	1.8
335.19446	0.7
451.19339	1.6
675.30042	6.2
676.30963	0.9
757.37610	7.4
758.38300	0.9
983.49707	100.0
984.50208	18.2
986.05042	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5887
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	9.0
69.07064	22.2
70.07400	1.1
71.04995	2.4
71.08601	1.5
73.02902	2.3
79.05490	39.7
81.03407	7.1
81.07053	38.6
83.04983	4.0
83.08601	9.3
85.02905	3.9
85.06548	1.7
91.03951	3.1
91.05479	24.7
93.07037	32.6
94.05037	1.1
95.04958	7.4
95.08600	28.9
95.09164	2.1
97.02879	11.9
97.06532	3.0
97.10165	10.7
105.04517	1.4
105.07026	14.4
107.04939	6.8
107.08590	21.0
109.06509	3.6
109.10160	15.6
111.08081	2.2
117.07034	8.6
119.08566	14.9
121.06514	2.3
121.10125	12.4
123.08080	2.8
123.11706	3.3
125.09653	8.9
127.03962	1.5
129.07005	3.9
131.08574	12.3
132.08990	1.3
133.06516	2.0
133.10126	9.8
135.08041	4.1
135.11690	8.4
137.09634	1.6
138.17763	1.2
143.08569	2.9
145.10123	8.9
147.08031	4.5
147.11679	5.0
149.09581	1.7
149.13260	6.0
157.10100	4.0
157.31282	1.3
159.11722	3.8
161.09546	2.2
161.13240	3.3
163.11119	2.8
163.14806	2.2
173.13254	3.5
175.11195	2.8
187.14775	1.9
189.11185	4.1
196.68060	1.2
223.13266	17.2
227.12665	2.8
243.21074	3.1
245.19206	1.6
249.14815	2.7
261.22137	9.1
273.18475	14.3
279.56436	1.2
283.15414	1.8
291.19528	92.8
292.19852	4.3
317.24930	2.9
335.25775	81.8
336.26108	4.0
347.22040	3.5
365.23209	45.5
366.23593	1.9
399.15927	1.3
513.35114	1.3
527.37244	1.2
545.38599	5.6
607.43146	2.3
625.44543	100.0
626.45081	8.5
659.36066	1.9
984.55420	14.6
985.56860	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	985.5129
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03437	0.8
69.07080	1.0
71.01363	0.2
71.05009	0.7
79.05491	4.7
79.05913	0.4
81.03413	2.7
81.03780	0.3
81.07055	3.6
83.01361	0.5
83.04984	1.6
83.08613	1.3
85.02930	0.9
85.06590	0.4
85.69986	0.3
91.05479	4.3
92.91633	0.3
93.07035	5.3
95.04954	1.4
95.08612	1.9
97.02912	0.9
97.06521	0.7
97.10209	0.4
98.17925	0.2
98.22645	0.7
99.04475	0.7
105.07028	2.7
107.04948	1.3
107.08606	2.6
109.02908	0.7
109.06551	1.0
109.10201	0.8
111.08106	0.3
115.05500	0.4
117.06364	0.4
117.07014	1.7
119.08577	1.8
121.06553	0.7
121.10148	1.6
123.04424	0.3
123.08127	1.0
127.03960	0.7
129.07024	0.5
131.08614	0.8
133.10182	1.0
135.08060	0.3
135.11700	1.6
145.10100	2.4
147.08102	0.5
149.09679	0.3
151.11169	0.3
153.12813	0.5
163.11179	2.6
173.09692	0.3
175.11356	0.3
185.16713	0.3
191.08966	0.3
191.10732	0.3
283.15518	0.4
333.20490	0.5
393.15329	0.4
411.16431	0.4
423.13669	0.2
448.40659	0.3
451.19775	1.5
453.02649	0.2
647.30682	0.6
675.29840	4.0
759.39172	5.8
760.39374	0.7
887.44543	0.3
967.50885	0.5
985.51227	100.0
986.51514	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6056
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03430	8.0
69.07072	27.6
71.05000	3.8
71.08638	5.7
73.02912	5.9
79.05498	69.4
81.03426	13.1
81.07058	76.5
81.07528	4.6
82.07446	2.2
83.05005	7.0
83.08624	16.5
85.02905	16.0
85.06569	5.3
91.03947	3.3
91.05482	65.9
93.07042	62.6
95.04964	6.8
95.08604	50.1
95.09165	3.6
96.08946	3.1
97.02901	11.0
97.06535	10.1
97.10172	13.7
99.08092	4.1
105.04604	3.4
105.07027	44.1
107.04966	6.8
107.08598	49.8
109.02883	3.3
109.06505	6.2
109.10158	39.3
109.80003	2.5
111.04443	2.5
111.08117	4.8
115.05459	3.4
115.25883	2.4
117.07008	18.6
119.06122	2.6
119.08588	32.8
121.06519	3.3
121.10136	29.6
123.08042	4.3
123.11747	7.0
125.09598	12.5
127.03921	5.6
129.07019	8.5
131.08542	21.9
133.10141	27.8
135.08084	3.0
135.11693	19.2
137.09583	3.7
137.13252	4.5
143.08577	6.6
145.04984	3.2
145.10124	21.0
147.11699	20.0
149.09630	13.7
149.13255	9.1
157.10133	6.6
159.11713	18.1
161.13266	10.9
163.11212	3.4
171.11696	6.2
173.11748	6.6
173.13281	10.8
175.14883	7.2
183.11751	3.8
185.13255	4.9
187.14865	4.5
189.11293	6.0
197.68385	2.3
201.16368	2.9
227.12778	18.0
229.14381	30.1
239.18050	4.1
245.92316	2.5
257.19064	9.1
259.20639	5.8
261.22122	13.9
269.17496	7.0
275.20093	41.8
313.27451	6.0
314.27612	3.6
317.24872	3.8
331.22668	6.7
335.25818	100.0
336.26083	8.4
349.23730	39.3
467.37097	3.4
468.37506	3.0
486.85608	3.0
489.35803	27.4
490.35782	3.2
505.34979	4.4
529.38745	10.4
609.45099	66.7
610.45349	9.7
627.45551	8.1
659.36017	2.9
715.69104	2.9
721.40820	3.2
855.09857	3.2
986.57135	48.5
987.58362	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6045
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	8.8
69.07072	24.8
69.60312	6.5
71.04979	4.3
71.08638	1.5
73.02925	3.6
77.03922	1.5
79.05492	73.6
80.05801	2.0
81.03422	14.4
81.07056	95.2
82.07385	2.1
83.04983	9.6
83.08622	14.5
85.02428	1.9
85.02907	15.5
85.06529	4.2
91.03947	5.9
91.04904	1.5
91.05482	59.5
93.07043	82.9
95.04974	12.7
95.08607	58.8
96.08905	2.3
97.02883	10.3
97.06555	10.6
97.10168	4.9
99.04447	2.3
99.08098	1.6
101.11431	1.5
105.04529	3.2
105.07031	47.0
107.04949	6.0
107.08598	43.0
109.02883	3.4
109.06525	5.6
109.10155	29.0
111.04420	1.7
111.08080	5.3
113.05982	1.5
115.05428	2.6
117.07012	22.4
119.08588	31.6
121.06458	2.9
121.10141	30.5
123.04413	1.7
123.08060	4.3
123.11734	7.0
125.09636	4.6
127.03918	5.7
129.05501	3.5
129.06992	6.1
131.08563	25.7
133.06480	2.2
133.10130	29.3
135.08101	3.8
135.11693	24.4
137.09618	4.8
141.06990	2.8
143.08560	7.1
145.04947	2.8
145.06505	1.6
145.10144	18.8
147.11665	17.2
149.09657	9.1
149.13254	14.6
151.11250	3.1
155.08580	4.4
157.10123	5.9
159.11685	18.6
161.09604	1.6
161.13261	7.0
163.05949	1.7
163.11186	5.9
163.14822	2.8
165.12740	3.2
169.10187	3.0
171.11678	6.9
173.04549	2.5
173.13235	10.3
175.11220	1.3
175.14870	2.5
177.12732	5.7
179.14342	1.7
181.10124	1.5
183.11713	2.2
185.13304	7.1
187.14795	5.1
189.11301	1.8
189.16347	2.1
195.13844	5.6
197.13307	2.8
199.14830	2.4
200.51358	1.5
201.16426	3.2
215.17915	1.9
217.15878	1.7
227.12808	3.9
229.14273	5.1
229.19498	1.4
235.11165	1.8
239.18010	4.4
243.21075	4.8
255.15919	6.0
257.18979	8.3
259.20706	3.5
261.22177	13.9
267.16000	1.7
269.17453	26.3
275.20081	24.7
293.21088	1.9
309.20547	9.8
309.23691	1.8
317.24734	3.8
331.22586	3.0
335.25818	100.0
336.26132	6.1
349.23730	26.5
367.24707	2.4
385.08707	1.9
463.91507	1.4
489.35562	5.4
515.37384	13.5
529.38861	71.9
530.39136	5.2
543.40771	2.5
569.42090	24.2
570.41321	1.8
609.45074	32.6
610.45032	3.3
627.46265	7.4
628.45599	1.8
673.41711	2.5
753.49133	1.7
771.50122	1.5
986.57550	19.0
987.53326	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	986.6051
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	9.4
69.07068	19.6
69.24071	4.1
69.24488	8.8
71.04986	2.9
73.02916	3.7
77.03902	1.6
79.05495	59.4
81.03417	8.5
81.07056	79.1
82.07412	2.5
83.04997	7.9
83.08623	12.1
85.02910	12.7
85.06544	2.9
91.03956	4.1
91.04910	2.1
91.05481	52.9
93.07049	58.9
95.04966	10.2
95.08609	49.2
96.46753	1.7
97.02897	10.5
97.06536	6.7
97.10149	5.7
99.04477	2.8
99.08040	1.6
99.82903	1.5
99.83842	1.6
103.05474	1.7
105.04552	4.1
105.07027	38.2
106.04964	1.6
106.77997	1.9
107.04945	4.5
107.08601	36.6
108.08923	2.7
109.06505	4.3
109.10160	26.6
111.08092	3.3
112.38491	1.6
115.05472	3.1
117.06995	20.4
119.08588	29.9
121.06564	2.0
121.10154	28.6
123.08064	3.0
123.11711	7.1
125.09625	3.6
127.03904	6.4
128.06223	2.0
129.05544	1.7
129.07030	6.9
131.08566	21.4
133.06508	2.7
133.10135	20.7
135.08086	2.2
135.11694	20.9
137.09631	4.0
141.06979	3.4
143.08571	5.5
145.10133	16.5
147.11687	11.1
149.09637	5.3
149.13277	9.9
155.08504	2.5
157.10107	8.1
159.11705	14.8
161.09636	2.1
161.13289	6.6
163.11269	4.0
163.14865	2.1
169.10173	2.3
171.11736	4.4
173.11819	3.7
173.13280	8.2
174.84471	1.8
175.14856	3.7
177.12830	3.0
179.14319	1.9
185.13275	4.2
187.14850	3.2
195.13757	3.4
197.13301	2.5
199.14830	2.8
217.15860	2.0
219.17378	4.2
227.12808	4.9
229.14316	10.0
229.19508	2.0
235.16925	2.3
239.18059	4.7
243.21091	3.1
247.20659	2.0
257.18973	7.2
259.20541	3.0
261.22174	11.3
269.17435	13.8
275.20059	27.5
283.19000	1.9
291.19608	2.5
292.41580	1.6
309.20590	7.9
317.24847	2.3
331.22433	3.4
335.25797	100.0
336.26068	5.8
349.23724	24.1
350.24136	1.8
367.24789	2.0
381.77814	1.5
489.35898	7.9
515.37305	7.5
529.30908	2.6
529.38867	41.5
530.39349	2.8
543.40082	2.6
569.41992	21.2
570.41846	2.7
609.45093	31.9
610.45300	5.0
627.46442	9.4
874.57562	1.8
986.57428	39.8
987.56451	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	987.5855
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	3.2
69.07072	1.2
69.44818	1.0
71.01357	0.3
71.04993	0.4
71.08638	1.5
73.02911	3.1
79.05492	1.0
81.03423	1.7
81.07053	2.6
83.04972	0.2
83.08617	1.0
85.02904	4.9
85.06558	0.2
85.10174	0.9
87.04485	0.4
91.03953	3.2
91.04438	0.2
91.05471	0.9
93.07047	1.0
95.04987	0.2
95.08601	1.8
96.92403	0.2
97.02892	5.4
97.03515	0.3
97.06615	0.2
97.10167	0.9
99.04464	0.9
101.02392	1.5
103.03985	0.6
104.59560	0.2
105.07053	0.6
107.08616	0.8
109.02898	1.0
109.10158	1.2
115.03940	0.4
117.07066	0.4
119.08630	0.7
121.10197	0.4
123.11720	0.4
125.09634	0.2
127.03913	1.7
131.08601	0.3
133.10176	0.3
135.11731	0.2
140.53523	0.2
145.05006	0.4
147.11745	0.3
159.11584	0.2
175.84158	0.2
183.06644	0.2
185.04189	0.9
201.03775	0.4
203.05350	0.8
239.23824	0.3
243.08382	2.1
283.15442	0.2
301.09174	0.2
305.08313	0.2
313.27554	0.8
314.27890	0.2
335.25995	0.2
347.09497	2.5
349.23923	0.3
351.21432	1.8
363.08878	0.9
365.10498	1.1
405.13608	5.9
406.13940	0.3
407.24222	0.5
413.18091	0.3
421.13614	0.2
477.15759	0.3
497.30789	5.9
498.31387	0.5
499.21442	0.3
569.29272	4.0
570.30188	0.3
583.36407	0.6
610.45984	0.6
659.36096	9.1
660.36450	0.6
731.34607	2.9
732.35358	0.3
825.53564	1.6
832.61975	0.2
925.82892	0.2
987.58582	100.0
988.58954	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	991.559
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	3.0
69.07070	0.7
71.01373	0.7
71.05008	0.4
73.02914	2.8
79.05489	2.2
81.03439	1.5
81.07070	2.2
85.02904	3.3
91.03939	2.5
91.05479	2.3
92.33598	0.4
93.07030	1.9
94.44109	0.3
95.04955	0.4
95.08627	1.4
97.02888	4.3
99.04488	0.5
100.96331	0.4
101.02396	1.3
105.07064	0.9
107.08628	1.2
109.02897	0.7
109.10199	0.8
121.10159	0.6
127.03958	1.5
131.08606	0.8
133.10123	0.6
142.91019	0.4
147.11627	0.4
164.37709	0.4
185.04237	1.0
196.87993	0.4
203.05301	0.6
220.27631	0.4
243.08556	1.6
333.20477	1.2
347.09744	1.4
363.09326	0.8
365.10574	0.6
400.55273	0.4
405.13577	4.3
413.17776	0.6
431.41852	0.4
519.29333	3.4
551.28601	1.4
585.28088	0.4
615.25122	0.6
681.34418	7.9
682.34991	0.7
713.33704	3.1
800.11670	0.4
829.51062	1.4
991.55914	100.0
992.56323	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	996.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	20.9
69.07074	50.4
71.01368	4.7
71.05000	10.3
79.05499	90.8
81.03419	49.4
81.07057	71.9
83.01344	19.0
83.04972	23.6
83.08612	26.3
85.02907	16.4
85.06532	3.2
91.05480	79.4
93.07045	74.2
94.07352	2.9
95.04977	24.8
95.08609	50.1
97.02896	23.0
97.06538	23.2
97.10185	9.6
97.86613	2.3
99.04470	7.4
99.08098	2.1
103.05460	3.0
105.04518	3.6
105.07033	56.0
106.07355	3.6
107.04962	28.3
107.08591	39.4
109.02873	16.4
109.06529	17.9
109.10155	26.5
109.14511	1.9
111.04458	10.1
111.08082	8.5
115.05498	3.7
116.06402	2.1
117.07022	32.3
119.08587	45.7
121.06527	10.1
121.10149	22.2
123.04475	3.2
123.08088	20.2
123.11753	3.0
125.05968	2.8
125.09647	12.0
127.03939	20.4
128.06187	3.0
129.06999	10.1
130.07826	3.7
131.08577	25.1
133.06517	3.1
133.10130	25.0
135.08047	10.6
135.11707	29.3
137.09634	17.2
142.07837	2.1
143.08577	7.3
145.06538	6.0
145.10135	42.8
145.71011	2.1
147.08063	11.2
147.11751	11.2
149.09634	20.5
149.13300	3.8
151.11227	5.6
153.09134	2.8
153.12766	6.7
155.08466	3.2
157.10152	4.5
159.11665	11.8
161.09581	3.2
161.13240	7.9
163.11191	66.6
169.10172	3.0
171.11688	6.3
173.09630	7.7
173.11739	9.4
173.13304	9.5
175.11237	3.2
177.12782	3.4
179.14307	6.1
181.12210	9.9
183.11760	4.5
184.07269	3.2
187.11380	3.2
189.11234	3.9
191.10690	8.2
207.13911	2.9
209.11739	34.2
223.13315	8.8
227.12730	25.4
227.14453	2.5
229.14313	3.8
229.19551	5.5
247.20615	4.3
257.18954	10.0
273.18552	7.4
274.19272	2.7
275.20065	45.7
276.20514	3.7
283.15405	100.0
284.15732	3.4
291.19571	22.0
293.21173	6.0
299.15067	2.8
311.14847	2.7
349.23734	42.0
350.24200	3.4
353.15927	14.9
365.23270	4.7
371.17014	3.2
379.21140	7.7
419.24197	6.1
437.25266	15.8
442.61163	2.1
461.28955	12.2
486.57074	2.3
491.26498	16.0
505.28094	2.5
539.33142	2.2
557.34656	36.1
558.35016	2.8
573.33661	5.6
575.36127	4.0
934.86383	2.4
996.54205	11.8
997.48114	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	996.6471
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	4.4
69.07069	18.3
71.05002	5.2
71.08635	23.0
79.05496	20.0
81.03416	8.5
81.07062	49.2
83.04970	9.9
83.08620	18.5
85.02915	9.8
85.06569	3.7
85.10178	15.0
91.03937	5.1
91.05500	18.1
93.07037	28.2
95.04977	6.4
95.08614	35.8
97.02888	3.5
97.06519	7.4
97.10160	6.4
104.41747	2.6
105.07040	16.2
107.04979	3.6
107.08610	15.8
109.06530	4.1
109.10163	28.0
117.07026	10.5
119.08578	10.0
121.10139	11.1
123.11714	4.1
125.09616	3.4
127.03933	5.2
131.08565	8.4
133.10101	9.6
135.07999	2.7
135.11661	7.2
137.13257	3.6
143.08597	3.7
145.10081	4.5
147.11699	4.8
149.09610	4.9
149.13286	2.8
157.10220	3.2
159.11746	8.0
163.11217	4.6
173.11707	2.7
173.13245	3.5
177.12813	3.5
195.13867	4.3
222.31276	3.0
227.12802	4.3
229.14380	9.9
239.18094	3.1
239.23709	3.5
257.19089	4.2
267.15927	3.8
269.17523	7.4
272.02200	3.3
273.27576	3.0
275.20197	12.3
283.15158	3.5
313.27377	100.0
314.27759	7.3
331.22476	2.6
339.18076	3.8
349.23721	12.5
379.25171	2.6
381.26761	4.1
413.21616	9.7
458.14420	3.3
467.37253	15.1
494.42380	3.3
507.40469	79.7
508.40671	5.3
547.43555	16.7
587.46771	34.2
619.48895	11.3
651.44366	13.4
823.63684	3.4
996.56543	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	101.0245
Annotation	2-Methyl-3-oxopropanoate
Peak:m/z	Relative Intensity
55.01881	27.2
55.33224	1.6
57.03452	100.0
59.01122	1.9
59.01387	18.1
69.16123	5.1
69.16549	9.6
71.01023	1.8
71.01387	16.2
72.99311	2.0
73.02949	23.9
83.01405	9.9
88.91973	1.6
94.16828	1.5
100.94613	29.8
100.95203	3.4
101.02450	57.5
101.03114	3.0
101.99252	1.6
102.05621	4.8
112.40306	2.1
115.92117	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	101.0245
Annotation	2-Methyl-3-oxopropanoate
Peak:m/z	Relative Intensity
55.01883	100.0
57.03453	61.9
59.01385	62.9
59.89538	5.8
60.45164	6.5
63.28740	7.7
66.05278	7.0
69.28616	20.9
69.29035	28.6
70.33018	6.8
71.01385	49.0
71.05038	6.4
72.99335	7.6
73.02956	55.8
83.01420	20.7
85.35076	7.7
101.02458	55.6
104.02593	6.4
115.39401	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	102.9861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99282	1.0
57.03460	2.9
58.99607	100.0
59.01384	15.1
59.99940	1.5
60.20507	1.0
66.39527	1.1
71.31026	1.4
74.99104	3.3
85.67752	1.1
102.98598	23.0
103.04025	2.5
103.92043	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	1040.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02988	4.0
84.64384	0.6
85.02943	1.1
85.26752	0.6
92.14487	0.6
92.66177	0.7
101.02453	1.0
108.04549	1.4
112.04034	1.0
113.02472	1.6
119.05067	2.1
120.04514	3.3
121.04147	0.7
122.02489	0.7
122.06096	1.1
127.55950	0.6
129.05635	0.7
134.06116	0.7
135.04573	1.0
135.66589	0.7
136.07675	2.2
138.05602	1.0
145.03004	1.1
146.02509	1.1
147.03264	1.2
148.04056	17.4
149.04843	5.6
150.05614	18.8
151.05920	0.8
154.05092	1.9
155.42574	0.7
159.08144	0.7
160.03992	3.4
161.04836	7.2
162.05585	1.9
163.02786	1.3
164.03551	3.8
166.08714	1.0
173.03575	8.0
173.04878	0.9
174.04341	16.4
174.05649	2.0
175.05086	5.6
175.06448	3.3
176.05844	0.8
177.06732	0.8
186.05600	1.2
187.06378	2.6
188.07190	0.9
189.06731	12.6
190.05061	1.4
190.07483	22.4
191.05775	2.0
191.08189	1.8
200.07207	2.1
201.07977	2.7
202.07454	3.0
202.08977	1.6
203.06166	0.8
203.08261	1.1
213.06783	0.8
213.10451	1.3
214.05040	1.0
214.11081	2.4
215.08290	3.8
216.06697	1.2
217.07436	1.9
217.09789	1.4
227.09563	0.8
228.06664	2.3
231.07764	17.7
232.08517	25.5
233.09242	6.0
241.09860	1.4
242.08235	2.8
242.10585	1.4
243.07478	3.9
244.08206	6.1
245.07062	0.9
245.09320	4.4
246.07668	1.4
247.08339	0.7
259.10840	1.6
261.08905	0.8
262.09604	2.2
267.07764	0.9
268.08511	1.5
270.07715	0.9
283.06937	0.7
285.08850	2.3
286.09619	6.4
287.10446	1.0
289.09497	1.3
303.09875	2.0
304.10712	1.6
315.13498	9.2
337.10922	2.2
338.11206	1.2
340.13065	3.0
356.16141	0.9
369.14801	1.9
391.16837	0.8
398.17224	11.3
399.17798	0.8
406.15094	1.4
409.18002	1.5
410.17447	3.6
411.16214	1.0
428.18637	1.1
434.17322	1.7
452.18234	7.9
453.16663	4.0
467.16959	3.9
468.17590	1.0
470.19348	69.8
471.19711	7.9
496.17444	0.8
497.65060	0.8
503.19449	0.7
561.23798	4.2
591.24884	1.6
615.24677	7.1
633.25690	100.0
634.25977	15.5
668.16223	0.7
688.86218	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02972	0.7
80.74985	0.6
81.03453	1.0
85.02955	1.6
89.02406	1.0
93.03468	2.5
99.04525	0.7
101.02452	1.7
113.02459	2.4
114.72189	0.6
117.03484	17.5
119.05038	89.4
119.67567	0.5
120.05379	2.1
121.02956	1.8
121.05330	0.9
123.04489	0.6
124.07713	0.8
133.02980	0.9
134.03783	0.6
134.06134	1.6
135.04543	1.2
136.07715	7.0
138.09274	1.9
145.02966	49.5
146.03316	2.3
148.04092	0.6
150.05602	0.6
157.07666	0.7
161.02432	0.7
161.04706	0.6
162.05684	1.4
163.04022	100.0
164.04376	2.9
165.05618	0.8
173.10870	3.8
180.06691	0.8
185.10811	3.6
190.07530	1.0
191.05646	1.9
197.10878	7.6
198.11572	1.0
199.08786	6.2
212.13138	1.0
213.13982	13.0
215.07112	0.8
223.08911	1.0
225.10336	0.6
232.08490	0.6
237.10321	1.9
238.11119	2.9
239.11908	41.7
240.12265	1.9
252.11403	1.5
253.13615	0.6
257.12985	0.9
264.11533	0.8
265.12308	1.0
265.17218	1.3
278.13129	1.0
279.13733	0.7
290.12897	0.9
291.13977	1.1
293.20325	0.9
302.16995	0.6
304.15262	0.8
306.16360	0.7
307.16937	0.7
308.17685	20.6
309.18201	1.5
318.12518	3.7
319.18176	2.4
320.17770	5.5
331.13327	1.1
332.14075	2.2
333.14917	4.6
334.15472	0.9
334.19177	0.6
336.20816	6.5
343.14365	1.0
344.17740	1.3
345.15240	1.0
347.16342	2.7
359.16483	0.7
360.17200	5.1
362.18765	85.4
363.19244	7.7
376.16495	0.9
380.19818	23.5
381.20114	1.7
406.17764	22.6
407.18134	2.3
424.18649	5.2
425.14545	40.0
426.14886	3.5
436.18802	19.8
437.19144	2.2
454.19870	1.4
508.22534	1.1
552.21490	1.0
563.65692	0.7
570.22736	1.4
587.25220	1.7
598.99390	0.7
617.26105	1.3
832.32770	8.1
833.33453	1.9
836.31531	2.5
850.34125	19.2
850.49982	1.3
851.34113	3.5
862.34052	7.2
863.33862	1.9
880.35156	28.3
881.35626	5.3
999.35480	1.4
1013.40442	33.2
1014.40710	8.2
1043.41577	45.5
1044.41638	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	1043.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03475	1.1
83.01429	0.5
85.02975	1.0
86.88728	0.6
87.02569	0.6
93.03471	2.3
99.04504	0.7
101.02444	1.8
111.96611	0.6
113.02496	0.6
117.03481	20.4
118.03845	0.9
119.05042	94.7
120.05373	2.2
121.02963	1.5
133.02998	0.7
134.06125	1.6
136.07700	7.3
138.09256	2.1
145.02972	50.2
146.03313	2.0
157.07671	1.2
161.04659	0.9
162.05634	1.2
163.04030	100.0
164.04381	2.8
165.05600	1.0
173.10857	4.0
184.10060	0.7
185.10851	4.5
194.12369	0.6
197.10844	8.5
198.11623	0.6
199.08780	7.6
211.12302	0.9
212.13200	0.8
213.14000	16.1
223.08800	1.4
225.10347	1.6
237.10320	2.3
238.11227	3.1
239.11925	43.5
240.12218	2.8
252.11456	1.2
264.11487	1.4
265.17111	1.7
278.13007	1.1
279.13895	1.3
290.13193	1.0
291.13895	1.2
292.14630	0.8
293.15436	1.0
293.20529	1.3
304.15134	0.8
306.16245	0.9
307.16913	0.9
308.17712	23.9
308.21164	1.3
309.17984	1.6
318.12683	3.8
318.15970	0.9
319.13010	0.7
319.18179	3.1
320.17792	4.9
331.13293	1.2
332.14050	3.6
332.17688	0.8
333.14841	5.9
334.15503	0.8
334.19324	0.8
336.20972	7.1
343.14639	1.0
344.17856	1.6
346.15723	0.8
347.16385	2.6
359.16571	1.4
360.17221	5.5
362.18771	85.5
363.19299	7.5
377.17136	0.8
378.18750	0.7
380.19806	25.2
381.20187	2.6
406.17752	22.4
407.18173	2.1
410.21127	0.8
424.18677	6.7
425.14581	45.4
426.15015	3.7
436.18845	22.5
437.19162	2.5
508.22571	2.2
543.26788	0.6
552.21747	1.4
570.22522	1.3
570.47491	0.6
587.25348	2.3
591.65717	0.7
617.26563	1.8
832.32971	8.6
833.33319	2.6
850.34039	24.2
851.34668	4.6
862.33582	6.4
863.34119	1.5
880.17682	1.4
880.35083	24.6
881.35175	5.2
1013.40515	40.3
1014.40503	10.9
1043.41455	45.6
1044.41980	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	105.0194
Annotation	DL-Glyceric acid
Peak:m/z	Relative Intensity
50.33793	0.7
59.01088	1.7
59.01380	30.3
71.29187	0.8
72.99313	95.4
73.99649	1.1
75.00876	32.1
77.04884	0.7
103.00404	1.3
105.01940	100.0
106.02272	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	1051.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02993	3.3
84.87305	1.0
87.66110	1.0
108.04571	1.3
112.03990	1.3
113.02451	2.2
120.04533	1.5
136.07712	1.7
143.81363	1.0
147.03285	1.0
148.04065	12.2
149.04822	4.8
150.05614	15.0
151.77249	1.0
154.05095	1.1
160.04004	1.3
160.81793	1.1
161.04819	4.5
162.05588	1.5
163.02751	1.4
164.03531	3.3
166.08760	2.0
170.27306	1.1
173.03584	6.4
174.04329	13.1
174.05617	2.0
175.05174	5.0
175.06429	1.7
181.72238	1.1
186.05624	1.6
187.06343	2.5
188.07187	1.7
189.06691	9.9
190.07477	18.3
191.05751	2.5
191.08147	3.3
200.07170	1.4
201.07947	3.8
202.07414	1.8
203.08316	1.4
213.10197	1.3
214.11104	2.1
215.08224	2.1
217.07416	1.9
217.09808	2.7
228.06467	1.2
231.07759	16.9
232.08517	26.1
233.09299	7.6
235.70959	1.1
241.09911	2.5
242.08174	2.1
242.10553	1.4
243.07600	5.2
244.08220	7.3
245.07069	1.2
245.09300	4.5
262.09647	2.1
285.08859	2.6
286.09735	5.6
287.10342	1.6
303.09915	1.7
304.10513	2.0
315.13547	7.8
331.12061	1.4
340.13019	3.3
373.13303	3.6
398.17139	13.0
410.17319	3.4
428.18243	2.2
434.17279	2.1
452.18210	7.5
453.17294	2.4
467.16821	3.5
468.17313	1.2
470.19351	62.3
471.19733	6.5
494.43860	1.2
561.23657	3.2
615.24500	4.1
633.25708	100.0
634.26062	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	1059.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
78.91007	0.8
80.26817	0.8
82.02999	1.2
85.02969	1.9
85.52440	0.8
88.33450	0.7
89.19891	0.7
93.03467	2.2
96.65746	0.7
96.95986	0.9
99.04517	0.9
101.02451	1.4
108.04574	14.1
108.05270	1.4
110.06145	1.6
113.02488	3.2
117.03476	16.2
119.05035	63.4
120.05362	2.0
121.02998	0.9
122.06129	1.9
133.02937	1.2
134.06161	1.7
135.04596	1.2
136.07681	6.9
145.02960	37.3
146.03355	1.5
148.04016	5.1
149.04832	1.3
150.05627	5.7
160.04068	1.1
161.02437	1.3
161.04739	1.3
162.05658	2.6
163.04018	65.0
164.04494	1.2
173.03586	2.3
174.04350	5.1
175.05084	1.6
175.06468	1.7
185.06117	1.1
185.10962	1.4
186.05595	1.2
189.06792	3.3
190.07483	6.5
191.05659	2.8
197.10870	1.1
199.08865	2.1
200.07176	1.1
202.07474	1.1
213.10461	1.8
213.13979	8.0
215.08279	2.2
215.11942	1.2
231.07816	4.6
232.08540	6.7
233.09283	1.4
236.12311	1.0
237.10367	1.5
238.11241	1.4
239.11908	17.9
240.12276	1.4
241.09827	5.7
242.10590	0.9
244.08397	1.6
252.11462	1.1
255.03368	0.8
257.13184	0.9
264.11572	2.1
267.08121	0.9
276.15125	2.2
278.13098	1.0
279.10593	1.1
279.18732	1.4
285.08774	1.9
286.09659	3.6
290.13022	1.5
292.11356	0.8
292.14651	1.5
294.16135	18.9
303.09952	2.9
304.14777	1.5
305.16553	1.9
306.16135	10.0
307.16794	1.3
315.13702	3.7
318.12555	1.3
318.16266	1.3
320.17923	0.9
321.49536	0.8
322.19211	7.4
330.16223	3.4
331.13373	1.0
332.14090	0.9
333.14993	2.4
340.12973	1.6
346.15869	2.5
347.12860	1.5
348.17172	100.0
349.18015	6.3
362.18939	1.1
366.18228	54.7
367.18655	5.9
378.18240	9.4
392.16342	2.5
396.19455	3.3
398.17377	5.2
410.17337	2.0
422.17224	23.7
423.17749	1.6
425.14539	26.1
426.14981	1.5
440.18262	7.4
452.18326	13.7
453.17279	2.4
470.19324	19.2
471.19858	2.0
603.24658	2.9
633.25580	5.5
714.93768	0.9
804.04456	0.8
848.32031	7.8
849.32050	1.7
866.33514	18.0
866.49902	1.0
867.34094	2.9
878.33948	2.6
892.30200	1.2
893.32324	1.1
896.34570	21.2
897.34430	3.9
1029.39978	37.1
1030.39819	8.1
1041.40747	1.2
1059.40942	58.5
1060.41174	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	1065.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
76.09130	0.2
83.01388	0.6
85.02953	0.4
89.02449	0.4
91.98251	0.2
93.03465	1.0
101.02448	0.7
107.01410	1.1
109.02945	0.4
113.02449	0.4
135.00890	0.7
137.02332	0.3
141.99678	0.3
143.05022	0.5
151.00389	2.1
153.01892	0.5
153.09250	0.4
155.03612	0.3
157.06584	0.3
159.04573	0.5
161.04572	0.3
163.00388	1.7
167.05081	0.5
169.06560	0.5
171.04538	0.4
178.99879	0.3
183.04520	0.6
185.02469	0.3
185.06113	1.2
187.03941	1.6
189.05533	0.4
195.04521	0.4
196.05193	0.4
197.06113	0.4
199.04015	0.7
201.05692	0.4
211.03987	1.5
212.04784	0.4
213.05595	1.3
214.02721	0.4
215.03554	0.3
223.10870	0.9
227.03517	18.3
228.03935	1.1
229.01622	0.3
229.05066	6.7
230.05469	0.5
239.03520	0.9
240.04295	0.6
241.05026	1.2
255.03009	33.2
256.03592	3.8
257.04559	3.7
258.04950	0.3
267.02994	0.7
284.03287	41.0
285.04053	56.5
286.04431	3.7
299.05838	0.3
327.05170	0.8
370.46301	0.3
593.15161	100.0
594.15497	13.3
594.25299	0.3
595.15363	0.3
747.04926	0.3
891.97400	0.3
1065.42029	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
80.03617	0.9
96.04501	1.0
98.21796	2.8
106.65622	1.0
108.04588	2.0
110.06138	4.1
120.04567	2.6
122.06117	2.9
124.07684	1.5
134.06143	1.1
136.07693	15.2
148.04066	9.6
149.04807	2.4
150.05626	8.4
161.04814	2.3
162.05652	2.0
171.04579	2.3
172.05301	3.1
173.03522	5.4
173.05988	4.8
174.04341	7.2
174.05664	3.3
175.05121	3.1
176.05885	1.9
177.06734	5.9
179.08250	9.2
184.05295	2.4
188.07239	2.2
189.06699	4.5
189.77098	1.1
191.05684	1.9
197.06056	1.2
198.06953	8.2
199.07672	11.4
200.07391	1.3
211.07640	1.3
212.07109	5.0
214.08745	4.2
215.08279	3.0
216.09085	3.2
217.09813	4.7
224.07227	1.2
227.03607	2.5
227.05714	1.1
237.07832	1.5
238.08766	1.3
240.06714	2.5
241.07462	4.7
241.09792	1.6
242.08287	12.3
254.08223	5.9
255.03078	1.9
255.08965	1.7
257.09259	3.1
258.10150	3.7
259.10822	6.2
273.12546	1.5
284.03244	2.5
285.08713	1.7
303.13580	5.8
316.60986	1.1
328.13095	7.1
353.15149	1.6
365.14978	3.7
370.17758	6.6
371.18134	1.1
395.16141	55.0
396.16553	4.6
397.17355	1.5
412.18881	18.8
413.18823	1.9
438.16779	2.5
447.03732	1.3
447.08817	5.1
456.17880	1.8
491.19183	1.3
492.19983	6.6
557.24084	1.8
575.25165	100.0
576.25415	13.8
619.24139	35.8
620.24628	6.1
682.10193	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	1075.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
80.17228	0.8
81.03429	1.0
85.02979	1.7
89.02450	0.9
93.03485	3.3
100.23965	0.8
101.02491	1.3
113.02457	2.0
117.03484	20.0
117.04304	1.4
119.05041	81.7
120.04623	0.9
120.05405	2.4
121.03001	2.2
123.04533	0.9
133.03021	1.6
135.04593	1.9
136.07739	2.0
138.09276	0.8
145.02974	51.3
145.60809	0.8
146.03380	1.0
148.04077	1.5
161.02490	1.4
163.04025	100.0
164.03450	2.0
164.04601	1.7
185.10838	1.6
187.07721	1.6
191.05675	2.0
194.04630	6.5
197.10892	3.3
199.08791	6.2
201.06779	0.9
203.03664	0.8
203.08253	2.2
213.14038	3.9
216.92369	0.8
225.10420	1.2
229.06245	6.1
231.07721	0.9
237.10501	1.0
238.11177	3.6
239.11932	39.2
240.10225	1.1
240.12511	1.7
247.07336	3.3
290.13190	1.2
303.10413	1.7
304.15552	1.2
308.17734	6.6
317.12302	0.9
318.12515	6.5
318.15930	1.2
319.13358	1.0
319.18262	3.0
320.17819	1.8
327.08838	1.4
332.14206	3.1
333.14941	8.8
336.20938	1.1
341.65518	0.8
343.14633	0.9
347.16525	3.0
354.77060	0.8
360.17255	2.7
362.18774	94.4
363.19537	8.6
364.17682	1.3
380.19839	7.2
383.13657	1.1
406.17758	26.2
407.18100	2.3
424.19479	1.0
425.14557	58.6
426.15021	4.3
430.03299	0.8
436.18823	35.1
437.19153	3.6
508.22809	1.3
552.21899	1.9
576.59827	0.8
612.92999	0.9
619.24445	1.6
649.25531	1.0
772.92206	0.9
832.33527	8.8
833.32672	3.3
836.29272	3.2
837.27399	0.9
850.34479	3.8
852.31110	0.9
862.33936	7.1
863.33954	3.0
880.34875	5.5
917.41290	0.8
1045.39661	22.6
1046.39661	4.0
1075.40515	41.9
1076.40967	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	108.0456
Annotation	2-Aminophenol
Peak:m/z	Relative Intensity
52.18594	0.8
58.35856	0.8
60.80412	0.8
70.90935	2.0
73.01730	0.8
79.32397	0.8
81.03443	0.9
88.32468	0.9
91.01894	1.3
91.45424	0.8
107.03785	28.2
108.04565	100.0
109.02951	1.6
109.04199	1.0
109.04874	4.3
125.96296	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1089.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02992	3.9
85.02948	1.2
87.47314	1.0
106.38845	1.1
112.04009	1.2
120.04530	1.3
136.07709	2.7
144.59703	1.1
148.04056	14.6
149.04800	4.7
150.05583	15.0
154.05063	1.4
155.95586	1.1
160.04007	2.2
161.04816	4.6
162.05577	1.6
164.03578	3.4
166.08766	1.7
173.03543	7.1
174.04333	14.4
174.05618	1.3
175.05132	6.0
175.06476	2.3
186.05608	1.5
187.06351	3.5
189.06683	9.5
190.05026	1.2
190.05830	1.7
190.07471	17.3
191.08206	2.3
200.07207	2.1
201.07970	2.6
202.07364	2.3
203.05946	1.4
203.08171	1.8
213.10400	1.6
213.70865	1.2
214.11133	1.7
215.08276	3.1
216.06604	1.6
217.07483	1.8
217.09711	2.1
228.06598	2.2
231.07768	15.6
232.08531	22.5
233.09221	4.5
241.09761	3.0
242.08234	3.9
242.10536	1.6
243.07756	3.4
244.08304	6.9
245.09283	3.9
259.10916	2.0
262.09677	1.8
267.07785	2.3
268.08612	1.2
285.08810	3.7
286.09674	5.8
287.10382	2.3
303.10010	1.5
304.10519	2.0
315.13519	9.0
318.27188	1.2
340.13116	4.6
356.15771	1.1
371.51157	1.2
398.17285	11.4
399.17822	1.4
402.07614	1.1
410.17148	4.6
428.18176	1.4
452.18317	4.3
453.17044	3.9
467.16800	2.6
470.19357	61.0
471.19644	5.6
479.18207	1.1
488.49783	1.2
555.06616	1.2
561.23364	4.4
591.24573	1.7
615.25043	5.3
633.25684	100.0
634.26056	16.7
929.17059	1.2
1061.26184	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	109.066
Annotation	trans,trans-2,4-Heptadienal
Peak:m/z	Relative Intensity
50.65803	2.3
64.00655	5.3
66.03493	21.9
67.53606	2.3
69.03100	7.9
69.03519	17.3
80.00132	2.4
107.05038	85.1
108.05402	5.4
109.02953	10.1
109.04095	3.9
109.06595	100.0
109.99944	11.7
110.02499	7.3
110.06953	6.9
121.61082	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	1091.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
80.13166	1.2
82.02989	2.7
84.56661	1.3
94.02986	1.5
94.33375	1.1
113.02450	3.8
117.03507	1.3
119.05019	1.6
120.04514	1.1
135.04567	2.5
136.07693	3.2
138.05669	1.3
145.02927	1.5
146.02382	1.2
147.04446	1.2
148.04047	14.3
149.04814	5.1
150.05615	13.3
152.04047	1.0
154.05067	1.3
160.04076	1.7
160.29666	1.1
161.02495	2.2
161.04863	5.2
162.05579	1.5
163.04036	1.6
164.03506	3.4
166.08716	1.5
173.03543	7.6
174.04338	13.0
174.05612	1.7
175.02867	1.2
175.05090	4.7
179.03506	1.2
182.72195	1.1
186.05486	1.3
187.06349	2.1
188.07118	1.5
189.06702	8.7
190.07503	17.9
191.05692	1.4
191.08073	1.6
192.60294	1.0
200.07146	1.3
201.08000	2.1
202.07370	2.1
202.68645	1.1
213.10426	1.4
214.11169	2.3
215.08223	2.8
216.06769	1.4
217.09770	2.6
228.06636	2.0
231.07777	17.9
232.08517	21.9
233.09190	5.8
242.08174	2.9
242.10545	1.9
243.07718	3.5
244.08572	5.4
245.09309	3.2
261.08664	1.5
262.09555	1.9
267.07596	1.6
268.08478	1.5
285.08850	3.1
286.09677	5.0
287.10510	1.5
303.09879	2.1
315.13611	7.3
340.13000	3.4
369.14728	1.4
381.89713	1.1
398.17270	10.4
410.17105	4.1
411.15399	1.2
428.18167	2.4
434.17456	1.6
452.18405	6.4
453.16989	3.3
459.46234	1.1
467.16879	3.2
470.19360	56.0
471.19690	5.7
503.18878	1.3
511.88925	1.2
561.23560	3.2
615.24768	6.1
633.25690	100.0
634.26031	14.7
664.65112	1.3
990.87219	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	1095.6803
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03458	4.1
83.05031	7.7
85.02955	1.5
95.01407	0.9
97.13300	0.5
101.02448	2.0
108.04610	0.6
113.02438	2.7
117.03426	0.8
119.05010	0.5
122.03508	0.5
145.02940	0.7
161.04517	0.9
207.15041	1.1
224.17714	1.3
225.16095	8.8
227.03517	0.6
242.18805	0.5
255.02946	1.0
268.16077	0.5
284.03177	0.7
297.40704	0.4
324.26517	0.8
331.17627	2.1
341.29172	0.6
367.27103	0.7
373.18698	3.5
381.55655	0.5
417.08182	1.2
417.21286	1.2
433.31699	1.1
450.34625	1.1
451.32925	6.1
452.33191	1.4
502.84262	0.5
550.43512	1.2
593.43475	0.6
603.24615	0.5
659.48657	1.5
677.49719	100.0
678.50006	17.8
679.50269	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	111.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41239	2.0
52.68802	1.7
55.01886	19.9
66.92714	2.2
67.01537	3.6
67.01897	69.2
71.01381	6.4
71.14509	2.5
71.14834	2.7
78.95914	71.6
81.03455	3.9
83.01392	24.2
83.05028	10.9
93.03465	8.1
108.61448	2.4
110.97561	4.5
111.00888	100.0
111.02057	5.5
111.04532	7.2
112.01217	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	111.0089
Annotation	2-Furoate
Peak:m/z	Relative Intensity
55.01883	21.4
57.20809	1.9
65.03954	4.0
67.01897	67.5
69.47334	14.0
71.01392	3.7
78.95913	85.6
80.08733	2.2
81.03473	17.1
83.01395	25.3
83.05034	57.1
84.05370	2.4
93.03475	43.9
110.97625	2.4
111.00893	100.0
111.02031	3.8
111.04532	19.7
112.01198	2.1
112.04088	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	111.009
Annotation	3-FUROIC ACID
Peak:m/z	Relative Intensity
50.71991	4.0
55.01885	100.0
59.20551	3.2
60.54051	3.5
63.28038	4.1
67.01901	56.4
71.01376	23.7
78.95899	12.0
83.01393	97.4
111.00889	90.8
111.02012	18.1
112.01212	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	111.0454
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
52.64228	0.6
55.01884	8.0
60.81160	0.5
65.03976	1.2
67.01888	1.3
70.31755	1.7
71.01378	0.9
78.95919	1.1
81.03465	10.3
82.51369	0.5
83.01401	2.2
83.05035	38.7
84.05370	1.6
93.03450	3.2
109.02962	1.4
111.00920	3.1
111.02007	1.4
111.04533	100.0
112.04185	0.7
112.04849	3.9
123.58926	0.5
128.69983	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	15.9
57.03456	17.2
65.58868	1.0
68.99577	100.0
69.03470	1.1
69.99912	1.5
71.01379	1.9
72.07053	1.0
83.01392	4.5
84.02175	9.9
85.02957	79.4
86.03284	1.9
96.29713	1.0
112.98592	1.9
113.01727	1.6
113.02464	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	113.061
Annotation	epsilon-Caprolactone
Peak:m/z	Relative Intensity
55.01877	15.1
55.81153	2.8
57.03453	29.1
60.04832	3.3
63.33380	2.9
68.99577	80.8
69.03441	4.4
69.08293	32.1
71.01397	3.3
72.00906	8.2
72.99315	3.5
84.02186	16.4
85.02962	100.0
86.03255	3.4
86.88955	2.9
98.22530	5.8
99.93996	3.3
113.02476	26.1
113.06095	97.4
114.01987	9.3
114.05638	6.6
114.06412	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	115.0766
Annotation	cis-1,2-Cyclohexanediol
Peak:m/z	Relative Intensity
50.23449	2.0
54.67432	1.8
55.64433	1.7
65.60408	2.2
67.73459	1.9
69.36913	15.9
71.01394	7.3
71.05019	5.9
71.16534	1.8
77.37435	2.1
89.01460	6.4
96.37525	1.8
97.93141	12.9
99.92609	5.3
114.93420	31.9
115.04055	3.7
115.07658	100.0
115.92116	2.5
116.02572	18.7
116.07223	2.3
116.07992	6.2
117.86402	1.8
118.41439	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	1167.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02979	3.4
108.04575	1.4
112.04053	0.9
120.04597	3.4
121.04058	0.9
136.07686	3.0
147.03291	2.1
148.04063	17.5
149.04828	6.1
150.02136	0.6
150.05623	17.8
151.05977	0.7
154.05151	1.9
160.04065	3.0
160.07759	1.2
161.04839	7.0
162.05630	2.3
163.02829	2.0
164.03561	4.6
166.08798	2.2
170.12592	0.6
173.03574	10.7
173.04849	1.3
173.07292	0.9
174.04347	16.5
174.05579	1.5
175.05074	4.6
175.06454	3.1
176.05850	0.9
177.06665	0.8
186.05630	0.8
187.06375	2.8
188.07162	1.3
189.06728	10.0
190.04993	1.1
190.07483	21.5
191.08257	2.2
192.02994	0.9
200.07173	2.0
201.07939	2.5
202.07486	2.2
202.08990	1.5
203.06010	1.4
203.08208	1.3
213.10400	1.2
214.11166	2.0
215.08229	3.2
216.06833	1.4
217.07507	2.9
217.09882	2.5
224.07265	0.7
226.08894	0.8
227.03627	1.3
227.09587	1.5
228.06732	2.0
231.07756	18.5
232.08524	25.5
233.09271	6.1
241.09874	1.2
242.08252	2.6
242.10600	1.4
243.07529	3.6
244.08250	8.8
245.09430	2.7
246.07671	0.8
255.03075	3.0
259.10989	1.8
261.08963	1.3
262.09689	2.1
267.07910	1.5
268.08676	1.9
284.03308	2.3
285.04062	2.9
285.08832	2.5
286.06976	0.9
286.09705	5.4
289.09378	1.0
303.10016	2.2
304.10620	1.5
315.13519	8.6
337.10803	1.7
340.13040	3.7
368.16293	1.0
369.14627	1.7
395.14539	0.8
398.17215	13.2
399.17676	1.9
409.17584	1.0
410.16949	3.3
411.15692	0.8
428.18457	2.6
434.17438	2.4
449.15515	1.3
452.18280	6.6
453.16821	4.3
467.16824	4.3
470.19357	70.1
471.19687	8.3
489.10361	3.7
503.18970	0.9
561.23547	4.4
562.23993	0.9
591.24902	1.0
615.24536	6.4
616.25092	0.8
633.25732	100.0
634.25995	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	117.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92462	0.4
53.49379	0.4
55.01884	0.8
59.01381	0.8
70.63917	0.4
70.64241	0.6
71.05056	0.5
73.02951	100.0
74.03289	2.9
99.00888	7.7
99.92586	4.4
116.92881	8.9
117.01954	9.8
117.05653	0.4
118.03033	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0195
Annotation	Succinic acid
Peak:m/z	Relative Intensity
55.01889	0.7
58.46596	0.4
64.42456	0.4
73.02954	100.0
74.03291	3.7
86.40678	0.5
99.00892	9.4
99.92606	0.5
101.73483	0.4
103.70670	0.4
115.81806	0.5
117.01955	10.6
117.02736	0.7
118.02274	0.6
129.00017	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0352
Annotation	3,4-Dihydroxybutanoic acid
Peak:m/z	Relative Intensity
54.04082	2.5
55.01873	3.2
55.13906	3.2
57.72829	3.3
58.00581	7.8
59.01386	100.0
64.62499	3.7
69.58067	6.5
69.58468	9.6
71.01385	43.2
72.99322	5.5
75.60848	2.9
83.01390	3.6
89.02449	4.6
98.21867	6.1
101.02448	3.3
118.92677	3.5
118.96553	4.9
119.03545	2.8
119.05034	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	119.0351
Annotation	D-Erythrulose
Peak:m/z	Relative Intensity
51.53335	2.7
55.01857	4.6
58.00597	4.4
59.01385	100.0
62.72515	3.0
69.41740	5.8
69.42149	12.6
71.01381	50.5
71.51843	3.1
72.99303	5.1
80.78030	2.6
89.02457	5.9
90.54548	2.7
96.11555	3.1
115.33750	2.7
119.02512	5.0
119.05041	21.7
126.86418	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	119.0504
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
51.59865	0.8
53.82893	0.8
53.92840	0.9
69.44476	6.5
70.72005	0.9
91.05521	1.2
93.03455	6.5
117.03496	1.1
119.05039	100.0
119.73257	0.8
120.05397	7.1
128.49690	0.9
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
51.89025	0.7
55.13578	0.7
59.42837	0.8
62.15750	0.7
69.69776	3.9
91.05526	1.4
93.03458	6.3
94.10552	0.7
117.03468	1.1
119.05035	100.0
120.05368	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	119.0504
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
68.00295	1.5
74.80924	2.0
91.05544	5.0
93.03484	2.3
98.22628	3.0
101.03982	46.3
102.04336	3.4
117.03475	29.8
119.05040	100.0
120.05386	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	121.0297
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
54.46912	0.3
64.10619	0.3
64.60410	0.4
65.61082	0.3
66.03456	0.5
69.48199	2.6
79.96506	0.3
91.01901	1.6
92.02693	0.5
93.03448	3.6
94.02999	2.8
95.01412	1.1
100.67741	0.4
105.62294	0.4
108.02178	4.7
113.22331	0.4
121.02966	100.0
122.02482	1.1
122.03306	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	121.0297
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
53.38313	0.3
66.03492	0.5
69.23084	2.7
69.23504	0.9
89.59472	0.4
91.01912	1.6
93.03471	3.4
94.03016	1.2
95.01392	1.3
108.02168	3.4
121.02964	100.0
122.02473	1.2
122.03293	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	121.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23722	0.2
57.26026	0.2
65.03979	0.4
65.72424	0.2
69.45625	1.2
69.46029	0.5
91.01900	1.5
92.02705	0.7
93.03471	3.2
95.01407	1.6
108.02186	4.5
120.02204	0.3
121.02967	100.0
122.02425	0.3
122.03299	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	125.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99104	2.9
63.89482	3.2
67.01881	4.2
69.03464	21.8
70.61015	2.8
70.61368	8.9
75.70285	3.1
79.01928	5.2
81.03462	8.0
83.01408	3.6
95.01392	7.0
95.03338	4.3
97.02955	17.6
105.07798	3.1
111.34953	3.4
111.62737	3.3
125.01534	4.9
125.02458	100.0
125.06041	6.4
126.02003	8.2
143.01952	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	127.0403
Annotation	(4E)-2-Oxohexenoic acid
Peak:m/z	Relative Intensity
51.85677	2.3
55.01878	8.7
69.58094	11.6
81.03471	27.2
82.03840	3.1
83.05035	100.0
84.05370	3.4
90.04219	2.2
93.27160	2.0
98.21901	3.2
126.90466	8.0
127.00372	2.8
127.04005	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	127.0767
Annotation	1-Oxa-2-oxo-3-methylcycloheptane
Peak:m/z	Relative Intensity
71.01379	7.9
71.29681	10.8
78.33866	4.1
83.05032	11.6
85.02962	6.1
108.20671	4.4
110.90876	8.6
126.90470	100.0
127.00373	13.1
127.04005	5.5
127.07667	45.7
128.03549	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	127.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25836	3.5
59.01366	3.7
67.06293	3.8
67.63080	3.2
68.84234	3.6
69.88078	11.3
69.88458	7.8
71.01371	6.3
75.13051	3.4
83.05018	7.8
85.02959	8.4
94.17902	4.2
98.21896	5.0
99.00829	3.4
100.63886	3.7
109.54230	3.7
110.90882	7.9
118.62488	3.9
126.90456	100.0
127.00381	9.3
127.04013	5.9
127.07648	38.6
128.03610	19.6
128.08078	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	127.0768
Annotation	1-Oxa-2-oxo-3-methylcycloheptane
Peak:m/z	Relative Intensity
55.01879	5.9
71.01381	8.4
71.29082	9.0
76.15068	5.0
83.05052	10.2
110.90908	7.2
126.90465	100.0
127.00454	12.0
127.04044	5.5
127.07663	72.5
128.03529	24.5
138.70273	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	129.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81307	10.0
55.01882	44.2
57.03450	51.5
59.01385	59.4
66.77470	10.2
67.01901	100.0
71.26115	11.6
71.26453	18.4
72.99326	66.6
83.05034	51.9
85.01192	18.5
85.02967	48.7
85.06608	14.3
101.02454	43.1
102.55235	10.9
111.04539	22.0
112.47761	10.3
129.05588	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	129.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	12.6
57.03459	35.9
58.73499	4.1
67.01901	100.0
71.17680	4.1
83.01419	6.1
85.02952	10.8
87.95859	4.0
113.50167	4.2
121.73681	3.9
123.07001	4.9
130.75403	3.8
139.49153	4.4
145.35509	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	129.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41584	5.6
51.88314	5.7
53.61533	6.0
54.43861	5.5
55.01883	70.4
57.03457	46.9
58.63092	5.9
59.01350	5.9
67.01902	54.9
67.87019	5.7
68.97241	45.9
68.97648	23.6
72.99297	10.0
83.01398	10.9
85.02470	9.1
85.02956	91.0
88.04022	9.6
93.67741	6.2
101.02459	100.0
102.02780	11.7
111.00896	9.1
125.42437	6.1
129.01952	9.8
130.07874	9.9
130.08754	88.9
139.91452	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	129.056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	7.9
69.42388	13.5
69.42815	11.9
83.05041	22.6
85.06602	100.0
86.06927	5.7
111.04559	27.3
129.05580	34.3
134.74057	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	129.056
Annotation	Unknow
Peak:m/z	Relative Intensity
59.69691	3.9
61.40087	4.1
69.52943	19.2
69.53359	4.9
73.82577	3.2
74.38335	4.3
79.57670	3.0
83.05022	14.0
85.01190	5.3
85.06600	100.0
86.06932	5.5
105.72319	3.8
111.04519	30.0
128.82765	3.3
129.05612	27.0
140.67215	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	129.056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15894	3.1
70.88425	6.4
83.05036	13.1
83.30692	2.6
85.06596	100.0
111.04518	22.4
129.05594	24.2
143.26068	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	129.056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.5
57.03453	6.8
57.68370	1.3
59.01385	100.0
60.01714	2.8
67.01894	9.3
68.02211	1.3
69.03455	1.7
71.27554	2.1
72.05786	1.5
72.99314	4.4
73.16264	1.3
83.05041	2.8
85.02962	18.1
85.06596	1.8
99.58984	1.4
101.02453	3.4
102.04710	1.4
128.90189	6.1
129.01956	3.3
129.05611	10.1
130.08754	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	129.056
Annotation	3-Oxohexanoic acid
Peak:m/z	Relative Intensity
52.89590	4.2
57.03451	13.1
59.01390	100.0
67.01902	16.3
69.20264	4.0
69.57473	13.5
69.57894	8.6
72.99317	76.9
83.05040	52.6
85.01212	5.0
85.02975	8.2
85.06593	20.3
98.22540	4.5
103.72622	4.0
111.04548	17.2
128.90196	10.5
129.01987	5.0
129.05602	22.4
130.08760	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	130.0875
Annotation	Isoleucine
Peak:m/z	Relative Intensity
56.50686	1.7
67.48560	1.7
69.23622	3.4
69.24025	10.3
85.02957	6.4
85.78505	1.9
87.04523	5.1
98.21775	4.2
102.50358	1.8
122.26822	1.7
130.08745	100.0
131.09102	4.4
149.96695	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	131.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	5.7
57.03442	12.9
59.01388	8.1
67.01861	5.0
69.72514	12.6
69.72901	10.7
71.01382	20.0
72.00952	4.4
72.99313	5.9
73.02953	20.8
75.00883	7.1
85.02959	100.0
85.06628	5.7
86.03279	4.6
87.04524	37.5
88.04038	24.1
92.34226	4.2
98.21938	8.4
101.02507	4.8
111.94477	4.4
113.02460	38.0
115.00323	4.8
131.03525	17.3
132.03044	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	131.0716
Annotation	2-Ethyl-2-Hydroxybutyric acid
Peak:m/z	Relative Intensity
57.03448	1.3
63.91461	0.8
70.68895	2.4
72.07201	1.1
83.05022	2.3
85.02959	2.6
85.06597	100.0
86.06940	4.0
113.06105	2.8
117.25510	0.8
129.05594	2.1
131.05072	1.2
131.07162	27.2
132.07536	1.0
134.84119	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0716
Annotation	Ethyl 4-hydroxybutyrate
Peak:m/z	Relative Intensity
55.60608	1.6
59.01385	100.0
60.01724	2.6
69.46580	9.1
69.47004	3.4
75.00890	2.3
85.02959	15.3
85.06614	6.1
87.04556	2.2
91.15515	1.9
115.15247	1.6
131.03587	3.3
131.05020	2.4
131.07152	7.3
131.89264	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	131.0716
Annotation	2-Ethyl-2-Hydroxybutyric acid
Peak:m/z	Relative Intensity
50.71495	1.9
54.23156	2.7
57.03448	2.4
62.10736	2.3
62.14049	2.1
62.81376	1.9
68.99809	14.5
69.03466	15.8
69.45955	2.5
72.87911	1.9
73.23006	2.2
75.59045	2.1
85.02972	12.9
85.06600	100.0
86.06925	2.5
87.04510	4.7
113.06096	3.5
131.03563	2.6
131.07153	30.8
142.92786	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	131.0716
Annotation	2-Ethyl-2-Hydroxybutyric acid
Peak:m/z	Relative Intensity
57.03443	2.3
61.98845	1.4
68.99825	7.3
69.78479	5.5
77.17645	1.2
85.02962	5.4
85.06598	100.0
85.60973	1.3
86.06934	5.3
87.04522	2.0
103.25951	1.2
131.03404	1.9
131.07153	30.2
132.07500	3.3
135.37434	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	Unknow
Peak:m/z	Relative Intensity
50.79390	1.6
57.03438	2.6
59.01374	2.6
69.68755	5.6
71.01384	89.4
72.01740	1.9
72.99317	21.2
87.00884	1.6
89.02464	8.9
89.44386	1.5
95.89983	1.6
101.76511	1.7
114.88938	1.7
115.00375	100.0
116.00723	3.4
133.01439	14.4
134.04764	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	133.0145
Annotation	D-(+)-Malic acid
Peak:m/z	Relative Intensity
51.47234	1.0
59.01380	2.5
66.24623	1.3
69.51267	6.1
69.51679	2.1
71.01391	84.9
72.01692	1.7
72.99311	18.6
79.04488	1.2
87.00883	2.0
89.02447	8.9
90.79282	1.1
109.94878	1.3
115.00386	100.0
116.00695	2.9
133.01443	17.7
134.04704	2.3
152.78239	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	134.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64061	0.5
63.51625	0.4
63.82704	0.4
65.01446	1.0
68.02529	1.0
68.11389	0.4
69.42807	2.8
79.62985	0.4
88.68248	0.4
92.02556	12.7
93.02876	0.4
98.21689	0.5
107.03650	45.7
108.03361	0.5
108.04005	1.6
132.40521	0.4
134.04745	100.0
135.04422	2.1
135.05125	2.4
150.58560	0.4
153.75279	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0475
Annotation	Adenine
Peak:m/z	Relative Intensity
50.88175	0.5
62.62847	0.7
65.01439	1.7
69.84575	1.9
90.87430	0.5
92.02559	13.5
95.84107	0.6
98.21832	0.8
107.03654	42.0
108.03999	1.5
113.60143	0.5
134.04745	100.0
134.86546	1.1
135.04483	3.3
135.05170	2.5
142.02481	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0454
Annotation	3'-Hydroxyacetophenone
Peak:m/z	Relative Intensity
53.00099	0.9
63.38211	0.8
69.25801	5.7
69.26196	2.0
79.91148	0.9
83.14975	1.0
89.03988	1.8
91.05569	1.4
93.03474	1.7
93.75000	0.8
98.63951	1.0
99.92651	1.4
106.04233	1.5
106.92633	0.9
107.05051	4.2
108.02167	1.5
117.03464	2.4
134.03764	22.4
134.86610	6.7
134.89484	17.6
135.04544	100.0
136.04007	1.9
136.04883	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	135.0455
Annotation	3'-Hydroxyacetophenone
Peak:m/z	Relative Intensity
63.00073	1.4
65.46355	1.7
65.56850	1.5
87.90445	1.5
89.03939	1.7
91.05550	10.7
92.05038	2.0
93.03465	14.2
95.01390	4.3
107.05028	4.3
108.02192	39.5
108.04589	1.8
117.03493	2.1
130.95259	1.6
133.06618	2.3
134.03752	10.8
134.86528	4.0
134.89511	9.1
135.04538	100.0
135.08186	7.3
136.01675	22.2
136.04004	5.1
136.04951	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	135.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
71.30170	4.0
75.00898	3.7
81.03471	7.8
82.32999	2.9
93.03502	5.5
95.01376	6.1
106.04311	3.9
107.05050	13.4
108.02179	28.2
117.07106	3.3
120.05862	3.5
131.05038	13.4
133.06618	53.4
134.03764	25.2
134.06946	4.1
134.86594	8.9
134.89481	15.7
135.04536	100.0
135.08173	93.4
136.01666	16.0
136.04025	10.1
136.04878	7.4
136.08517	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	135.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53247	2.6
58.23179	2.7
69.42428	18.8
71.25042	3.1
74.12093	2.7
78.23807	2.5
86.22999	3.1
87.52114	2.4
93.03474	6.8
94.02978	3.5
98.22560	5.2
99.92590	9.4
101.48193	2.7
107.05043	8.2
108.02186	10.4
134.03763	16.4
134.86583	26.8
134.89491	100.0
135.04544	91.9
135.08139	4.8
135.89505	5.9
136.01625	3.0
136.03996	5.1
136.04948	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	137.0246
Annotation	4-Hydroxybenzoate
Peak:m/z	Relative Intensity
52.77655	1.6
62.81852	2.1
65.03970	10.2
67.01897	15.6
68.99820	2.1
69.41219	13.6
81.03462	23.3
82.02989	8.4
93.03465	100.0
94.02986	3.9
94.03806	5.4
94.49373	1.8
95.01366	12.7
98.21774	2.2
108.02196	26.1
108.04588	3.2
109.02962	59.2
110.02496	10.1
110.03243	4.1
123.03275	7.4
135.00890	3.9
137.02461	65.1
137.03513	4.0
138.01959	16.5
138.02858	3.6
138.05618	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	137.0247
Annotation	Sodium 4-hydroxy-benzoate
Peak:m/z	Relative Intensity
55.57248	0.4
59.56892	0.5
65.03965	0.9
69.46069	2.9
74.99086	0.8
77.01555	0.5
93.03469	100.0
94.02995	0.7
94.03809	5.3
108.02205	2.3
108.04554	1.2
109.02965	0.6
123.03284	4.4
136.01677	0.7
136.86285	0.9
137.02478	7.1
138.01993	3.3
138.02895	0.7
138.05626	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	137.0247
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
58.75425	0.6
59.03922	0.6
65.03955	2.1
69.73438	3.4
77.56702	0.6
79.08341	0.5
81.03465	4.9
86.27257	0.7
91.01895	2.2
93.03465	86.2
94.03271	0.8
94.03793	5.8
97.86761	0.8
108.02186	13.1
109.02985	6.0
119.01396	1.9
123.03278	2.3
136.01657	13.1
136.02646	1.2
136.86292	1.4
136.89214	2.5
137.02458	100.0
138.01889	6.2
138.02911	5.4
138.05609	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	138.0199
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
55.92128	0.4
61.86267	0.5
68.45241	0.4
70.71839	0.5
95.01409	0.5
107.46186	0.5
108.02183	93.8
109.02524	4.7
109.50006	0.5
123.49667	0.4
127.61561	0.5
129.43385	0.5
138.01984	100.0
139.02370	6.0
150.57513	0.5
152.47699	0.5
154.96606	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0563
Annotation	Antibiotic P 3355
Peak:m/z	Relative Intensity
55.01877	4.0
56.52204	1.1
58.27148	1.2
65.07229	1.1
68.88151	1.1
69.03452	1.0
69.73922	3.9
69.74326	2.3
70.16231	1.0
79.95732	2.0
83.01414	1.4
92.05081	13.4
93.03455	2.6
94.02992	20.0
94.03791	3.0
95.05064	2.3
96.96022	100.0
98.22551	2.3
108.02204	12.1
108.04571	50.5
109.01711	1.1
109.04877	3.0
110.02481	2.6
110.06139	1.7
111.00901	3.5
111.04537	1.8
115.29460	1.2
120.04564	14.1
122.02539	6.5
123.03288	16.4
124.03602	1.6
138.01976	19.3
138.02876	1.3
138.05624	60.1
139.00716	14.5
139.04010	3.4
139.06027	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	138.0563
Annotation	Myrothenone B
Peak:m/z	Relative Intensity
63.92057	1.3
70.36252	3.2
77.10009	1.6
89.01450	1.6
95.05080	2.8
98.21805	1.9
104.17902	1.6
108.02182	42.4
109.01665	1.8
109.02497	1.8
111.00863	2.6
122.02493	2.6
123.02352	3.0
123.03275	81.0
124.03623	6.7
138.01987	53.5
138.05623	100.0
139.02328	3.7
139.04053	2.4
139.05981	5.2
155.02347	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	138.0563
Annotation	Myrothenone B
Peak:m/z	Relative Intensity
54.77635	1.1
71.28866	1.6
74.16080	1.0
80.02677	4.3
93.03502	1.4
95.05028	2.4
108.02184	12.6
109.02562	1.1
122.02489	2.5
122.40571	1.0
123.03284	75.6
124.03646	6.0
138.01988	16.4
138.05629	100.0
138.50760	0.9
139.00369	1.1
139.05986	6.2
140.64983	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33321	5.0
60.24589	6.0
67.16964	6.2
80.02683	100.0
81.03024	7.7
83.05051	7.4
90.93842	6.6
93.03455	7.6
95.05047	55.8
98.21716	11.3
110.02488	8.3
110.33705	5.2
111.00865	9.4
125.01199	14.9
140.03561	12.9
155.79878	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	141.0924
Annotation	1,2,7,8-DIEPOXYOCTANE
Peak:m/z	Relative Intensity
55.01882	3.3
55.36480	0.9
59.01387	5.9
65.70409	1.0
68.99823	35.5
69.55782	6.5
71.95461	0.9
84.91892	1.1
85.02944	1.6
91.45115	1.0
95.08652	2.6
95.46860	1.1
98.21840	1.3
99.92580	1.9
111.08154	5.8
113.09749	1.3
137.14043	1.0
141.02011	3.0
141.09232	100.0
142.04059	2.1
142.09532	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	142.0664
Annotation	1-Naphthylamine
Peak:m/z	Relative Intensity
80.73890	0.5
102.35488	0.5
116.05093	3.6
119.51586	0.6
140.05049	1.4
142.06633	100.0
143.06998	7.8
158.21346	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	6.0
57.03444	6.2
59.01387	21.8
64.14901	3.8
67.01903	4.5
69.03462	23.4
70.58816	5.4
70.59138	7.0
71.01392	58.4
72.99302	12.1
73.02946	13.5
81.03429	5.4
83.01394	9.9
84.72150	3.6
85.02955	60.6
87.00885	29.3
95.01395	6.1
97.02966	15.1
97.45521	3.9
99.04533	6.0
101.02480	7.6
115.04015	4.5
125.02425	3.5
128.53432	4.0
140.09952	3.7
143.03535	9.1
144.04561	100.0
144.10306	10.4
160.15860	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	143.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	13.3
59.01393	56.2
67.01861	9.1
69.03460	48.7
70.72662	7.7
71.01388	95.7
71.29182	7.5
71.29520	8.7
72.99314	16.5
73.02959	8.3
81.03472	12.1
83.01388	16.1
85.02954	100.0
87.00877	48.6
97.02949	22.0
99.00915	8.1
99.04503	14.1
111.00903	10.4
114.06782	7.3
125.02406	10.0
143.02440	8.0
143.03508	18.5
143.10851	8.8
144.04555	65.3
146.88989	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	144.0457
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
52.44526	0.3
56.59383	0.3
69.02749	2.9
99.08155	0.5
116.05074	3.0
117.03488	1.0
120.18652	0.3
126.03507	1.8
139.00737	0.3
142.03012	1.0
144.04567	100.0
145.03885	0.4
145.04927	7.7
150.21326	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.44220	0.7
69.34909	6.0
71.88067	0.7
89.03999	1.1
98.22482	1.6
117.03480	100.0
118.03814	6.2
137.35623	0.8
137.79890	0.8
145.02986	31.5
145.04898	13.4
146.02373	1.4
146.03352	2.3
146.05167	1.0
162.59349	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0297
Annotation	Norviburtinal
Peak:m/z	Relative Intensity
59.93505	0.5
65.63715	0.7
71.29325	0.8
72.82433	0.6
72.91808	0.6
87.88470	0.6
89.03986	2.0
97.21480	0.6
99.14871	0.5
102.05621	1.0
117.03478	100.0
118.03006	0.8
118.03796	6.6
145.02971	29.1
145.04869	1.4
146.02463	2.7
146.03519	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	145.0294
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14182	0.7
62.86755	0.7
69.26029	0.7
89.03958	0.9
95.08827	0.8
117.03471	100.0
118.03793	7.7
122.68468	0.7
126.99622	0.8
145.02972	31.7
145.04842	11.8
146.02370	1.5
146.03342	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0508
Annotation	AC1L978Q
Peak:m/z	Relative Intensity
55.01874	2.3
57.03443	1.3
60.49157	1.2
62.06922	1.1
64.42208	1.2
69.03451	4.2
71.05024	19.2
72.99308	14.2
75.00874	3.6
81.03467	81.0
82.03808	3.6
84.02171	12.8
98.22570	2.4
99.04530	100.0
100.04871	5.0
102.05623	12.3
127.04021	1.6
127.05221	1.7
128.03528	2.7
145.05081	48.5
146.04463	1.6
146.05481	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	145.0508
Annotation	AC1L978Q
Peak:m/z	Relative Intensity
55.01877	3.8
60.39881	1.2
69.03452	3.9
71.01400	2.1
71.05029	20.1
72.99308	12.5
75.00892	3.7
81.03460	89.7
82.03796	3.9
82.95625	1.1
84.02172	14.2
95.91216	1.0
97.02988	1.5
98.22644	2.5
99.04525	100.0
100.04881	4.1
100.14092	1.1
102.05618	10.4
106.67078	1.1
107.31760	1.1
116.51437	1.4
128.03555	2.4
143.03490	1.9
144.96495	4.5
145.05072	37.7
146.05461	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	145.0873
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
59.09948	0.6
69.34402	5.3
79.60703	0.6
88.71734	0.8
92.33414	0.7
94.56211	0.6
97.06613	3.6
99.08166	100.0
100.08497	5.5
103.12418	0.7
117.03507	0.9
127.07645	1.0
137.66037	0.8
143.07153	1.2
145.08720	26.8
146.02396	0.7
146.09085	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	145.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37841	1.0
69.38253	3.2
72.99257	0.6
82.04668	0.6
83.05002	1.3
84.02169	0.9
93.72952	0.6
97.06606	6.4
98.06969	0.6
99.08167	100.0
100.08494	5.4
106.06256	0.6
117.03473	2.2
127.07684	2.7
143.07181	1.4
145.03014	1.0
145.04942	0.9
145.08720	29.7
146.02498	1.3
146.09065	2.5
153.52290	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01733	0.6
70.33901	1.6
78.72993	0.4
90.64145	0.5
92.99139	0.5
97.06608	2.9
99.08167	100.0
100.08495	5.4
117.03518	1.7
118.03001	0.6
127.07669	3.3
143.07127	1.2
144.96492	0.6
145.03024	0.8
145.04970	0.8
145.08719	23.9
146.02486	2.2
146.09050	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	146.0462
Annotation	L-Glutamate
Peak:m/z	Relative Intensity
51.17044	1.1
59.01371	3.6
63.61002	1.1
69.52409	1.1
69.79276	5.5
71.01376	3.5
74.44846	1.1
75.00868	1.5
82.84553	1.0
85.02949	2.1
85.04930	1.3
99.00906	1.9
101.41981	1.1
102.05620	100.0
103.05952	3.1
105.66785	1.0
109.29325	1.3
128.03558	35.4
128.05511	2.1
129.03882	1.6
146.04607	9.1
146.86696	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	146.0461
Annotation	N-(Carboxymethyl)-D-alanine
Peak:m/z	Relative Intensity
57.03438	1.5
59.01385	8.9
63.31712	1.1
63.89782	1.2
67.01937	1.2
68.27467	1.1
70.62890	2.3
71.01393	8.5
71.04985	1.9
72.99311	2.7
74.02505	1.6
75.00878	4.6
81.03449	3.6
82.03793	12.9
85.02985	4.0
99.00915	2.1
99.04539	5.9
100.04865	18.3
102.05623	100.0
103.05969	5.8
103.17219	1.4
106.68762	1.2
128.03564	38.3
129.03906	1.8
146.04428	9.1
146.05460	6.3
146.86679	2.8
147.05553	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	146.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73907	8.0
59.01371	22.3
69.69835	40.3
71.01380	22.6
71.05029	77.8
72.89164	7.3
79.62718	6.8
83.01410	7.5
90.99995	8.1
95.18935	6.5
99.04530	23.1
102.05621	81.4
116.07217	7.6
118.03010	18.0
119.02512	7.8
128.03560	23.2
131.52153	6.5
134.92494	9.0
136.00015	8.1
140.02481	8.1
146.02489	100.0
146.08244	24.0
147.02020	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	147.0301
Annotation	2-Dehydro-3-deoxy-L-arabinonate
Peak:m/z	Relative Intensity
50.50591	5.2
56.26026	5.6
57.03467	28.8
58.03732	4.4
58.36706	4.7
59.01389	38.0
68.97606	4.9
69.15739	36.8
69.16145	10.7
71.01374	17.2
71.05016	17.6
72.99321	23.5
73.02955	32.2
75.00873	12.6
85.02958	100.0
87.00893	65.1
93.16061	4.9
99.00897	7.8
101.02448	9.0
103.04035	13.9
103.05951	9.5
129.01950	35.2
147.03067	29.1
147.06628	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	147.0301
Annotation	2-Dehydro-3-deoxy-L-arabinonate
Peak:m/z	Relative Intensity
50.00392	4.8
57.03453	34.6
59.01387	34.8
69.35239	33.8
71.01381	15.6
71.05018	21.6
72.99311	18.8
73.02953	25.6
75.00886	12.2
84.41753	4.8
85.02966	100.0
87.00889	95.2
101.02493	8.8
103.04028	10.7
117.01889	5.8
124.86909	6.1
129.01981	25.2
147.03003	23.4
147.06723	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	147.0454
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
53.18031	15.5
55.93808	15.2
59.88203	14.5
68.96208	18.1
70.43665	33.0
103.05547	15.0
119.05025	23.6
147.04489	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	147.0454
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
59.01368	35.6
69.72569	51.6
71.01389	14.4
71.05004	22.5
72.43787	12.1
72.99293	17.9
85.02973	24.3
87.00887	20.2
119.05043	28.5
147.01926	18.6
147.04541	100.0
148.04027	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0457
Annotation	L-xylulose
Peak:m/z	Relative Intensity
53.16754	1.5
59.01390	7.3
69.03468	2.3
70.62003	3.8
71.01389	34.3
72.99317	2.1
73.02951	25.5
75.00878	12.4
77.78320	1.1
87.00888	11.6
89.02452	100.0
90.02768	2.7
94.36156	1.2
97.99504	1.1
101.02447	1.5
103.04036	4.8
105.73483	1.1
118.96842	1.2
131.03496	10.1
149.04573	26.8
150.04901	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	149.0457
Annotation	L-xylulose
Peak:m/z	Relative Intensity
52.62165	1.1
52.77827	1.3
55.15526	1.1
57.12894	1.2
59.01385	9.4
60.61066	1.4
69.03448	3.7
69.37922	3.3
69.38345	5.6
71.01390	39.7
72.99306	3.2
73.02958	22.7
75.00884	9.5
87.00887	12.4
89.02455	100.0
90.02784	4.4
90.44177	1.2
91.13421	1.3
95.37648	1.2
98.21799	2.8
101.47659	1.2
103.04014	4.2
106.61469	1.1
121.02982	1.6
131.03560	6.9
149.04572	27.0
150.04794	2.1
152.04187	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	150.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
63.67304	0.2
69.50021	1.7
73.02966	0.3
98.22446	0.5
107.03777	1.8
108.04562	100.0
109.04195	0.5
109.04889	4.4
130.12379	0.3
132.04543	0.5
136.01649	1.6
149.00406	0.2
150.05591	2.2
151.04025	0.8
159.61264	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0403
Annotation	Vanillin
Peak:m/z	Relative Intensity
67.35206	0.3
69.03457	0.4
70.60519	0.7
71.01394	0.4
81.03415	0.3
81.08073	0.3
90.40263	0.3
95.01407	1.5
95.05039	0.5
107.05048	0.5
108.02184	7.8
109.04082	0.4
122.03769	0.7
123.04544	0.8
135.08176	0.9
136.01671	100.0
137.01997	4.6
151.04015	7.1
151.07628	1.8
151.11307	1.3
152.03552	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0117
Annotation	2,4-dihydroxybenzoate
Peak:m/z	Relative Intensity
60.06475	3.7
66.03490	8.3
69.03442	4.2
71.29397	4.0
71.29882	4.8
74.95741	3.5
80.02675	11.7
81.03482	8.6
85.44668	3.8
95.01365	6.5
108.02187	100.0
108.04570	12.7
109.02373	4.6
109.02983	64.7
110.00094	4.8
122.03741	16.2
124.04047	5.5
125.02482	7.4
135.04512	7.8
137.02020	10.8
137.37257	3.5
141.54131	3.9
152.01155	56.3
152.02290	6.1
152.02527	4.3
152.03517	36.0
152.07129	6.5
153.01920	16.2
153.05574	6.1
155.52869	3.6
173.64281	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	153.0195
Annotation	3,4-Dihydroxybenzoic acid
Peak:m/z	Relative Intensity
58.02971	0.7
64.03208	0.6
67.01882	0.8
68.99828	1.2
69.03429	1.0
70.64400	1.7
81.03463	4.2
82.02991	2.5
83.01390	1.2
88.42233	0.7
90.67632	0.7
91.01882	0.9
93.04591	1.5
94.02985	3.8
95.01386	1.2
96.04562	0.8
97.02934	1.3
108.02160	8.4
109.01724	2.8
109.02958	100.0
109.06570	1.4
110.00105	1.1
110.02480	2.6
110.03300	3.9
111.04492	1.2
123.00932	1.2
123.04480	0.8
124.04067	4.3
125.02435	2.7
126.05559	0.8
131.94722	0.7
135.04533	2.6
136.04044	2.4
137.03583	1.2
138.02176	0.8
138.03242	0.7
139.02721	0.8
146.32956	0.7
151.00377	1.3
152.03523	2.2
152.91731	1.1
153.01950	14.2
153.05614	2.1
154.01433	0.9
154.05121	5.7
154.06206	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	153.0923
Annotation	4-Hydroxy-3,5,5-trimethylcyclohex-2-enone
Peak:m/z	Relative Intensity
59.01089	5.0
59.01385	100.0
69.03456	3.1
80.93726	2.7
81.03471	3.9
83.01340	2.9
83.05003	2.5
86.24793	2.4
92.28701	2.3
95.01414	3.0
98.02457	2.4
101.82655	2.6
107.05006	4.2
108.02187	5.7
109.02959	63.4
109.06590	5.2
109.19775	2.6
123.00890	5.7
125.02487	5.2
135.04468	3.5
135.08170	8.2
141.73849	2.4
153.01921	15.0
153.09235	46.9
170.15544	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	155.0353
Annotation	Deoxypatulinic acid
Peak:m/z	Relative Intensity
55.01875	3.7
55.12841	1.7
57.03447	3.3
59.01384	2.0
65.03961	2.2
67.01893	1.6
68.99815	5.3
69.03499	1.8
70.14843	5.4
71.01387	100.0
72.01729	1.9
72.99323	4.8
76.57712	1.6
81.03468	10.5
82.84498	2.0
83.01377	7.4
83.05045	4.7
84.02177	1.8
85.02959	24.5
93.03477	11.5
97.02953	3.9
99.00897	3.6
99.04542	10.1
109.02975	13.0
111.00864	3.3
111.04511	5.5
112.01681	5.3
113.02480	8.7
114.05670	1.7
116.64323	1.6
121.71632	1.7
127.04033	7.8
127.93262	1.8
128.51480	1.8
137.02454	13.7
139.97232	1.8
155.03526	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	155.0716
Annotation	AC1OGP93
Peak:m/z	Relative Intensity
52.52392	1.3
55.01885	19.4
55.78748	1.3
59.01391	2.0
63.86346	1.4
67.01888	6.7
70.78332	1.8
71.01389	2.7
71.28837	2.6
81.03454	2.0
81.12492	1.3
83.01382	2.6
83.05044	4.7
93.03467	8.2
95.05029	1.8
96.96024	2.0
109.06634	2.5
111.00897	3.3
111.04553	2.2
111.08173	100.0
112.08492	4.8
113.06097	2.2
114.05680	2.2
137.02463	2.2
154.86897	1.5
155.02609	3.1
155.07137	3.3
155.86601	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	157.0508
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
50.53223	1.0
55.80560	1.2
59.01379	13.0
69.03474	1.5
71.05016	5.1
71.29757	2.0
84.99344	3.0
99.00874	2.0
111.08198	2.1
113.06101	100.0
114.06426	3.5
123.17970	1.3
127.00374	2.5
130.87457	1.2
156.89534	2.8
157.05090	7.7
157.07669	2.9
157.08778	7.9
157.12361	14.1
158.06076	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44316	0.6
57.03450	1.4
59.01384	100.0
60.01707	1.7
69.03468	1.5
72.00908	1.6
80.33054	0.6
84.99335	1.7
95.31043	0.7
97.06628	1.2
99.00950	0.8
111.00910	1.5
111.08160	1.0
111.49875	0.7
113.06100	5.5
125.34454	0.7
127.00404	1.3
130.06705	0.9
139.04050	0.8
156.89505	1.5
157.05154	2.3
157.08722	10.3
157.12346	6.5
158.06129	9.6
158.08229	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	157.0872
Annotation	CIS-3-HEXENYL METHYL CARBONATE
Peak:m/z	Relative Intensity
57.87999	0.7
58.29018	0.6
59.01384	100.0
59.21381	0.6
60.01721	1.3
61.07228	0.8
61.85382	0.6
64.16099	0.8
70.57274	1.8
75.00900	0.8
83.62811	0.7
103.28505	0.7
111.00924	0.8
111.08165	0.7
113.06085	3.3
127.00390	0.9
133.40840	0.6
139.04033	0.8
156.89497	1.0
157.05194	0.9
157.08740	8.9
157.12361	4.7
157.13533	0.7
158.06108	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	157.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84377	1.0
55.91656	0.9
57.01701	1.0
59.01382	100.0
60.01713	2.0
69.03448	1.4
69.23838	6.5
69.24244	1.9
84.99292	3.6
95.05030	1.8
97.06583	2.2
99.00921	1.4
111.08176	1.3
113.06117	5.7
114.93430	1.8
115.05523	1.8
127.00368	2.6
130.06610	3.8
134.99550	1.1
139.07613	1.3
156.89478	2.5
157.05095	1.4
157.06584	1.1
157.08704	10.8
157.12315	9.0
158.06111	29.2
158.08130	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	157.0872
Annotation	Cleroindicin E
Peak:m/z	Relative Intensity
57.03446	3.5
59.01377	2.6
62.42071	0.9
69.03455	1.7
69.16671	7.4
71.75058	0.8
72.99306	1.3
84.99297	5.0
98.21773	1.8
99.00876	1.1
111.08171	100.0
112.08508	4.7
113.09771	1.1
114.93399	1.5
116.02570	0.9
127.00401	2.0
139.07727	5.0
155.07173	1.9
156.89462	1.0
157.08720	52.7
157.12346	2.2
158.09055	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	159.015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01712	1.1
62.16463	0.4
71.01389	1.0
71.38120	0.4
73.02971	1.5
75.52186	0.5
87.00874	1.0
98.21755	0.8
99.00863	0.6
99.92580	0.8
101.02434	0.7
111.00944	0.7
113.02481	0.7
114.94966	0.8
115.02518	4.4
116.02596	0.6
116.92853	2.7
116.98654	1.1
117.00455	9.7
117.95531	5.9
158.89319	0.8
159.01511	5.5
159.02835	0.8
159.89426	0.8
159.96628	1.3
160.01723	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.3
55.33001	3.6
57.03456	19.9
59.01381	40.7
69.76199	16.6
71.01390	100.0
72.99312	4.7
73.02956	18.2
81.03416	4.0
83.01391	10.6
84.02180	6.4
85.02954	83.1
87.00900	6.4
89.02435	4.8
94.74982	4.0
95.01400	25.3
97.03000	4.2
99.04535	10.9
101.02448	10.4
113.02447	23.6
113.76177	3.4
115.03971	3.5
131.03531	4.3
132.98262	3.5
138.13905	3.7
140.79550	3.5
143.03473	6.2
161.04594	18.9
173.07394	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	161.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.4
57.03452	92.5
58.03800	1.9
59.01384	42.8
62.06426	1.5
68.00983	1.8
69.03459	1.9
69.06247	7.0
69.06673	11.1
71.01388	22.5
71.05030	27.7
72.99281	2.0
73.02953	9.9
81.03458	2.3
83.01399	2.6
85.02966	15.7
87.00894	13.2
87.04539	5.3
88.04038	2.2
89.02438	1.9
89.04383	2.0
95.01425	3.9
97.02953	3.0
99.04530	100.0
100.04894	3.0
101.02448	31.4
113.02471	2.6
115.04034	13.4
117.05598	19.2
131.03508	3.7
143.03506	36.1
161.04575	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	8.0
57.03224	4.5
57.03453	51.7
59.01381	58.0
69.35963	29.5
71.01388	100.0
71.05013	12.4
72.99334	6.3
73.02950	26.0
75.09649	3.6
82.02419	3.8
83.01390	14.8
85.02958	72.7
87.00854	4.7
87.04530	9.6
89.02430	5.0
95.01388	13.3
99.04535	62.0
101.02451	58.6
102.72067	4.1
113.02469	23.5
115.04039	5.9
117.05613	9.4
131.03516	15.0
143.03537	21.2
146.32266	3.7
161.04579	29.6
168.28282	3.4
171.87491	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	163.0402
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
52.91340	0.6
53.88717	0.6
54.47464	0.6
54.54930	0.6
58.04237	0.6
69.45056	3.3
70.65550	0.7
73.52480	0.7
93.03479	1.3
119.05035	100.0
120.05375	5.3
162.83920	3.0
163.04015	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	163.0402
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
54.59160	0.5
60.26471	0.7
67.42458	0.6
70.90400	1.0
85.46559	0.6
93.03447	1.0
105.87254	0.8
119.05038	100.0
120.05362	5.4
121.31210	0.7
161.20357	0.8
163.04036	5.6
178.28394	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0402
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
60.08389	0.3
69.45611	2.3
91.05534	0.3
91.59898	0.4
93.03467	1.3
117.03465	0.3
119.05035	100.0
120.05375	3.7
129.26642	0.3
134.20224	0.3
147.29463	0.4
163.04037	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	163.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23481	2.7
91.01908	2.7
92.45516	2.7
98.22618	5.1
116.92115	3.3
119.05060	25.6
122.69395	2.6
135.00810	2.8
140.30571	2.7
162.83929	40.8
163.11314	100.0
164.11615	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	163.1119
Annotation	4-Isopentylphenol
Peak:m/z	Relative Intensity
53.23481	2.7
91.01908	2.7
92.45516	2.7
98.22618	5.1
116.92115	3.3
119.05060	25.6
122.69395	2.6
135.00810	2.8
140.30571	2.7
162.83929	40.8
163.11314	100.0
164.11615	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	164.0719
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
53.30767	0.7
62.23109	0.7
69.60217	4.0
72.00918	44.7
91.05540	2.3
98.93919	0.8
103.05534	5.2
107.89507	0.8
119.05028	1.7
135.04521	0.8
145.20869	0.9
147.04535	100.0
148.04865	5.7
164.07185	39.6
164.08580	1.8
165.07513	2.5
177.40913	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0718
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
50.84339	0.3
52.25578	0.2
69.60512	1.4
72.99286	0.3
75.00840	0.3
75.88535	0.2
80.05070	4.2
84.91904	0.2
94.02981	0.3
107.03770	0.8
108.08192	2.1
110.02406	0.3
119.05081	0.3
120.04536	1.3
120.05383	1.4
121.02959	3.4
121.05347	4.2
124.04045	0.3
135.03281	0.7
136.04060	2.7
136.07693	18.2
137.02582	0.4
137.04846	3.1
137.07994	0.8
147.04529	0.6
149.01041	0.3
149.04823	5.5
149.06018	0.3
150.01941	0.5
152.03535	1.0
153.04324	2.2
164.03551	4.8
164.07176	100.0
164.83630	1.7
165.07518	5.6
165.08916	0.5
181.03810	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	164.0718
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
59.01370	0.8
71.01379	0.8
71.28873	1.2
71.29271	0.7
72.00917	43.1
74.95988	0.5
80.05138	0.7
87.00876	1.5
91.05578	1.4
92.05081	0.8
103.05521	1.2
105.01940	1.0
107.03788	1.0
108.04546	0.9
118.06651	0.9
119.05051	3.3
120.05355	6.1
121.02974	12.6
122.06145	1.7
133.37364	0.6
136.04060	1.1
136.07639	0.7
137.02437	0.9
147.04535	100.0
148.04840	6.0
149.01033	1.0
159.69402	0.6
164.03526	2.4
164.07181	43.2
165.01883	0.9
165.04144	1.4
165.05519	0.9
165.07561	2.7
165.09233	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	165.0195
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
52.38545	0.5
69.70007	3.1
77.03968	1.5
82.81945	0.5
83.78036	0.5
85.92075	0.6
93.03466	2.0
105.01971	0.6
108.02160	0.7
109.31934	0.5
120.13339	0.5
121.02968	100.0
122.03260	4.0
136.84526	0.6
147.04584	0.8
149.01018	0.7
150.03256	0.8
160.61185	0.5
164.83647	1.9
165.01935	8.2
165.05542	0.5
166.05127	1.0
166.07755	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0405
Annotation	L-Xylonate
Peak:m/z	Relative Intensity
53.07595	0.6
57.03435	1.0
58.62024	0.6
59.01386	9.5
69.73317	3.5
70.02221	0.7
71.01386	8.1
72.99313	6.7
73.02944	3.0
75.00877	25.4
75.25166	0.6
82.58195	0.6
85.02959	1.1
87.00882	100.0
88.01254	1.1
89.02435	3.7
98.22495	0.8
99.00885	11.8
99.84087	0.6
101.02432	3.8
105.01943	72.9
106.02336	1.2
107.03793	0.9
117.01933	2.9
119.03471	0.9
127.69678	0.7
129.01958	2.5
135.03001	1.9
147.02988	7.3
165.04048	47.0
166.04384	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	165.0558
Annotation	D-(+)-3-Phenyllactic acid
Peak:m/z	Relative Intensity
53.63859	0.5
54.43291	0.4
55.40025	0.5
59.79708	0.4
65.00333	0.8
67.16161	0.4
69.21818	4.5
72.99313	38.1
73.99701	0.4
75.00891	1.2
79.96378	0.5
87.00900	1.4
91.05564	1.5
93.00407	0.4
93.03457	0.7
95.05044	0.6
101.03986	2.1
103.05553	2.5
105.01950	0.6
107.03759	0.5
107.05090	0.6
108.02186	0.6
111.32305	0.5
117.03484	1.1
119.05035	41.9
120.05401	2.6
121.02967	9.6
137.02486	0.8
147.04532	100.0
148.04877	4.3
149.01073	0.6
150.03246	0.6
165.01947	0.8
165.04150	1.0
165.05573	23.5
165.09203	5.5
166.01567	0.6
166.05986	0.9
166.09464	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0922
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
56.16893	3.1
59.58997	3.1
63.80276	2.9
65.00303	3.6
67.13346	2.8
69.50642	7.0
69.51048	16.2
72.53671	3.0
75.00878	4.2
75.51299	2.8
77.03961	6.7
79.08836	2.8
84.82293	2.8
87.00910	4.8
88.53092	2.9
91.98100	3.3
93.03479	4.3
95.04581	3.2
98.22446	6.8
104.05986	3.1
108.02179	3.9
119.41634	2.8
121.00990	2.8
121.02966	100.0
121.06593	6.0
121.10262	33.2
122.06135	3.7
124.04082	3.2
136.01666	6.0
137.02463	13.5
137.06076	3.8
138.01941	3.6
147.04509	9.6
149.00908	4.4
150.03210	5.0
153.34389	2.9
164.83618	89.6
165.01952	8.5
165.04169	3.2
165.05550	10.9
165.09166	15.8
166.01479	9.6
166.05098	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	167.035
Annotation	2,6-Dihydroxyphenylacetate
Peak:m/z	Relative Intensity
55.01876	4.7
57.63971	3.4
62.53950	2.6
65.03958	5.1
67.01896	6.2
68.99836	18.7
69.03462	5.1
69.35836	6.8
69.36249	17.1
71.01369	5.7
72.99300	6.0
79.95747	5.8
81.03460	20.2
83.01409	8.9
83.05032	22.0
93.03465	48.9
95.01415	7.3
95.05022	10.1
96.02113	3.8
97.02969	12.5
105.03410	3.0
105.10597	3.8
108.02190	24.9
108.04552	6.5
109.02960	30.4
109.04889	9.0
110.03737	10.9
111.04533	72.5
111.80087	2.9
112.04890	4.4
121.02969	100.0
122.03269	5.0
123.00905	5.8
123.04498	16.8
124.01674	8.7
124.98458	12.3
132.95358	3.0
137.02461	10.9
138.03229	10.8
138.05618	4.2
139.04027	40.8
139.05942	10.2
149.02460	41.1
150.02847	3.7
152.01190	30.2
153.00659	8.4
154.23842	3.4
166.99472	3.5
167.03587	46.4
167.05423	8.2
168.03012	3.8
169.44873	3.5
188.89168	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	167.0352
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
69.62173	4.3
75.14303	0.6
80.02675	1.4
81.03409	0.6
83.13609	0.7
95.01415	0.9
106.46951	0.8
108.02186	54.1
108.04578	1.1
108.79034	0.7
109.02480	1.6
110.50890	0.7
113.00877	0.8
121.02961	1.5
123.00871	1.5
123.04546	16.0
123.32520	0.6
124.04907	1.1
124.07680	1.2
132.86731	0.8
138.67645	0.7
152.01170	100.0
153.00462	0.8
153.01631	4.2
167.03520	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	168.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02981	100.0
60.83231	1.2
65.38438	1.4
68.99023	1.4
69.03465	2.0
69.54222	6.3
70.02979	1.4
96.04568	1.9
97.02989	1.7
98.02435	1.2
103.73734	1.4
108.04527	1.2
123.00900	6.9
123.08261	1.5
125.02442	9.2
125.09719	1.6
125.98588	2.2
126.02042	1.2
126.90423	1.4
132.86815	7.4
141.02060	1.5
153.00688	28.5
167.87138	13.0
168.03020	6.8
168.13947	4.5
169.01450	3.9
169.05183	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	169.0508
Annotation	cis-1,2-Dihydroxy-4-methylcyclohexa-3,5-diene-1-carboxylate
Peak:m/z	Relative Intensity
50.56531	2.1
57.03439	3.1
57.46797	1.8
67.39256	2.0
69.03446	6.4
69.86703	7.5
71.01392	24.5
81.03482	5.1
83.01405	2.0
83.05026	4.0
84.02169	15.1
85.02984	2.8
85.22333	1.9
95.05026	9.1
97.02950	10.4
97.06030	1.8
97.06583	12.9
97.66743	1.8
99.04526	100.0
107.05025	24.5
110.03782	2.7
125.02473	11.7
125.06097	34.6
125.09728	8.1
133.24178	2.1
134.86520	3.1
136.19240	2.0
151.03969	2.4
168.98033	2.0
169.01468	6.1
169.05128	21.1
169.08708	5.5
170.02737	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	169.0872
Annotation	(E)-4-Oxo-2-nonenoic acid
Peak:m/z	Relative Intensity
50.40013	1.5
52.72794	1.2
53.54957	1.2
55.01885	7.5
57.03448	2.1
59.48304	1.4
69.03456	9.2
69.44225	1.3
70.86472	3.8
71.05029	34.9
72.05426	1.9
72.57742	1.3
80.02693	2.5
80.87534	1.3
81.03475	1.4
83.05035	8.9
95.05054	1.6
97.02967	2.2
97.06594	2.7
107.05072	2.9
122.89471	2.3
123.08183	9.1
125.02454	19.3
125.09737	100.0
126.10059	5.6
126.98171	2.5
134.86516	2.3
141.09221	1.7
141.99974	2.5
154.01027	2.6
169.01537	7.0
169.08737	10.3
187.83997	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	169.1237
Annotation	9-Decenoic acid
Peak:m/z	Relative Intensity
51.92749	0.8
69.03448	0.9
71.01372	1.0
97.02978	1.4
97.06581	0.9
107.05021	1.6
125.02461	11.8
125.06083	1.4
125.09735	4.9
152.79372	0.9
154.01102	1.9
168.83662	1.1
169.01463	3.8
169.05220	1.3
169.12360	100.0
170.12700	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	170.046
Annotation	THDPA
Peak:m/z	Relative Intensity
52.39492	0.9
57.03448	0.7
59.01384	8.9
59.03341	0.8
69.04556	7.9
70.02981	100.0
71.03325	2.5
71.05048	1.0
71.58973	0.7
73.02941	3.6
74.61334	0.6
81.03458	0.8
83.05043	4.2
84.04553	10.5
84.05017	1.2
96.00909	4.2
98.02493	1.5
99.04539	1.4
108.04590	1.1
109.06622	1.2
110.02492	19.6
111.00896	1.3
125.02472	1.6
125.06082	1.0
126.02704	0.7
126.05620	30.9
126.99558	1.1
127.03992	0.9
134.86562	1.6
140.60870	0.7
142.00052	1.0
152.03516	4.1
170.04602	41.9
170.83356	2.5
170.88387	1.5
171.02002	3.5
171.04988	1.4
171.06639	0.8
171.10252	2.8
171.13882	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	171.1029
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
52.77880	0.6
58.02972	0.8
59.01373	1.4
69.35599	2.5
69.36005	1.4
83.05058	0.7
99.00866	1.0
99.08173	2.0
99.92596	1.7
111.64040	0.6
113.06103	1.0
123.08160	0.9
125.09749	4.5
127.07703	3.8
127.11309	6.2
130.08714	0.7
144.04591	1.4
153.09241	1.6
171.02022	8.4
171.10292	100.0
171.13918	2.9
172.04030	0.8
172.10667	5.3
183.09320	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1029
Annotation	CHEBI:68949
Peak:m/z	Relative Intensity
53.69555	0.7
57.03451	5.5
59.01384	11.0
61.75576	0.7
69.03452	3.2
70.55833	0.7
71.29807	1.4
76.45895	0.6
77.52929	0.9
83.41241	0.6
98.99232	0.6
99.92574	1.3
109.06599	3.5
111.08170	54.8
112.08495	1.5
123.88520	0.7
125.09784	1.3
127.07664	3.2
127.11297	14.6
144.04620	0.7
153.09227	68.2
154.09531	3.6
164.18622	0.7
171.02000	5.3
171.10284	100.0
171.13956	2.1
172.10612	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	171.1028
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
59.01384	1.6
67.47913	1.0
71.05027	43.6
72.05375	0.9
81.04609	1.1
83.05034	5.1
97.06577	1.1
98.22525	2.4
99.08147	6.3
99.92619	3.4
116.79726	0.9
122.18742	0.9
125.09746	10.5
127.07685	6.4
127.11301	100.0
128.11635	3.7
144.04565	2.3
153.09222	15.1
154.09657	1.1
171.01997	11.8
171.10280	56.1
171.13960	2.3
172.10785	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0457
Annotation	2-Methyl-3-oxoadipate
Peak:m/z	Relative Intensity
51.96428	2.2
57.03444	8.4
59.01381	87.4
61.68406	2.8
67.01890	6.6
69.03465	9.5
69.41478	12.4
71.01376	6.0
72.99313	69.0
73.02963	12.5
83.05040	25.6
85.02964	4.8
85.06599	16.7
93.03460	54.9
98.21755	4.3
99.00887	4.7
99.04527	17.5
102.28947	2.6
103.66440	2.3
111.00919	11.4
111.04528	100.0
111.08171	2.7
113.02438	3.7
116.63989	2.5
127.07690	3.0
129.01881	2.8
129.05589	69.2
131.08264	12.1
137.02464	10.3
155.03513	76.7
156.03859	2.9
164.28693	2.6
172.83090	6.1
173.04579	22.3
173.08205	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	173.0456
Annotation	2-Oxopimelate
Peak:m/z	Relative Intensity
57.03440	7.1
57.19484	2.0
59.01381	69.7
67.01873	2.8
67.05510	3.0
69.03464	3.8
69.61710	5.1
69.62120	5.5
71.01384	3.0
72.99316	91.1
73.02933	9.9
74.53834	1.9
83.05029	26.0
85.02967	9.8
85.06596	13.8
93.03468	23.6
99.00893	2.8
99.04530	22.0
111.00887	33.5
111.04525	93.7
125.01627	2.0
129.01939	2.2
129.05597	52.5
130.05881	3.0
137.02431	6.9
139.12659	2.0
155.03514	100.0
156.03848	5.5
173.04547	15.6
194.72717	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	173.0457
Annotation	2-Oxopimelate
Peak:m/z	Relative Intensity
57.03445	5.2
59.01385	70.5
67.01900	2.8
69.03456	4.9
69.70791	12.0
72.99315	84.3
73.02952	5.6
83.05034	17.6
84.02158	2.4
85.02956	2.7
85.06599	15.4
87.34846	2.3
93.03487	21.4
98.22507	3.3
99.04546	17.6
111.04536	95.8
111.08131	2.3
112.04887	3.8
128.56857	2.6
129.05592	50.5
131.08243	3.5
137.02481	6.4
155.03522	100.0
155.07027	2.5
156.03845	4.4
173.04625	15.1
173.08237	8.2
181.56107	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	173.0457
Annotation	4-Methyl-3-oxoadipate
Peak:m/z	Relative Intensity
57.03446	1.6
59.01385	100.0
60.01712	1.5
66.36197	1.0
67.01883	1.6
68.70725	1.0
69.03450	2.1
69.77025	5.1
70.01594	1.0
72.99321	11.5
73.02943	1.9
83.05029	4.6
85.02943	1.6
85.06609	8.5
87.00883	1.3
93.03462	9.9
96.42861	1.3
99.04514	2.1
100.61268	1.3
106.09955	1.1
111.00871	4.4
111.04532	17.5
112.04829	1.2
117.80886	1.1
129.05595	75.8
130.05919	3.1
131.08275	3.4
137.02449	2.0
137.07692	1.0
155.03525	17.6
158.60632	1.2
173.04558	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	173.082
Annotation	CHEBI:87267
Peak:m/z	Relative Intensity
57.03435	1.8
58.00587	1.1
59.01385	100.0
65.03978	1.5
66.47282	1.1
67.01886	5.5
69.03462	1.7
71.01385	3.3
71.30167	2.3
73.02957	16.4
81.03433	3.4
83.05029	7.9
85.02958	4.2
85.06595	27.4
93.03467	52.7
94.03812	2.2
99.00889	5.3
99.04546	4.6
100.27856	1.2
111.00900	9.6
111.04518	13.6
111.08168	13.3
113.06107	16.0
115.59339	1.3
116.05037	1.9
128.99287	1.2
129.01935	2.2
129.05649	1.6
129.09225	8.2
130.06656	8.1
131.07156	93.4
132.07474	3.4
137.02452	8.0
144.04601	1.7
145.06587	5.4
146.06094	4.6
151.10284	1.3
155.03535	4.3
173.04520	3.6
173.06087	5.3
173.08324	6.2
174.03258	1.5
174.05618	9.1
187.34529	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0195
Annotation	Esculetin
Peak:m/z	Relative Intensity
64.30020	0.4
70.29543	1.0
70.29939	1.0
71.01382	0.8
77.03974	1.1
81.03448	2.5
88.78956	0.4
89.03977	10.3
90.04304	0.5
93.03465	2.2
95.05017	1.1
104.84872	0.4
105.03466	15.9
106.03783	0.5
107.01400	1.1
108.02156	0.5
109.02953	0.9
120.20467	0.4
121.02965	1.5
125.97585	0.4
128.63223	0.4
133.02971	31.2
134.03276	1.3
134.06194	0.5
134.13570	0.4
139.04010	0.8
143.47244	0.5
149.02438	4.2
162.03285	0.5
177.01942	100.0
178.02324	3.9
178.05170	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11589	0.3
57.45606	0.3
62.45947	0.3
67.19837	0.3
68.99806	0.4
69.49282	1.7
71.01369	0.3
75.00861	0.4
77.03960	0.9
80.51391	0.3
81.03459	2.7
89.03975	10.3
90.04294	0.5
92.05675	0.3
93.03456	2.2
95.05028	1.2
105.03468	15.0
106.03799	0.4
107.01395	1.0
107.05046	0.3
109.02924	0.3
117.59098	0.3
119.05038	0.6
121.02962	1.9
130.04288	0.4
131.04997	0.8
133.02966	29.1
133.06596	1.1
134.03311	1.3
139.04021	0.8
147.04529	0.5
149.02452	4.5
149.06099	0.7
159.04512	0.4
159.05661	0.3
162.03223	1.0
177.01936	100.0
178.02284	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	177.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
61.08467	0.3
69.19751	0.6
69.20146	2.6
71.01394	0.4
77.03958	0.8
81.03466	2.7
89.03976	9.5
90.04315	0.5
93.03463	1.9
95.05054	1.6
105.03473	15.7
106.03769	0.5
107.01401	1.1
109.02968	0.5
119.05048	1.3
121.02967	1.3
122.32323	0.3
131.05058	0.6
133.02971	30.2
133.06598	1.0
134.03345	1.0
136.84088	0.3
139.04034	0.7
140.67999	0.3
148.20854	0.4
149.02457	4.1
149.06148	0.4
159.04518	0.5
162.03220	0.6
177.01942	100.0
178.02277	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	178.9507
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72652	0.2
59.01383	0.5
66.71458	0.2
69.52181	0.5
69.52586	0.6
77.55778	0.2
78.34576	0.2
78.95919	0.3
79.95740	0.3
87.00880	0.5
98.22509	0.3
99.18587	0.2
119.93753	0.7
120.41000	0.2
134.96100	29.8
135.96146	2.0
136.94019	100.0
137.94095	6.3
151.92728	15.2
151.94005	0.3
152.92799	1.1
161.04585	0.4
178.95071	49.1
179.95148	3.4
196.96120	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0352
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
50.07619	0.3
50.64134	0.3
59.01389	3.8
59.02706	0.3
69.55145	1.7
71.01391	2.3
83.01385	0.3
85.02965	0.6
87.00898	2.0
89.02454	1.0
89.03965	0.4
91.05540	0.5
94.02985	0.6
97.02953	0.5
99.00882	0.5
101.02422	0.3
107.05027	1.4
108.02176	0.3
117.03477	0.4
125.02512	0.3
134.03755	6.3
135.04543	100.0
136.04869	4.4
140.35266	0.4
161.04541	1.0
179.03517	14.5
180.03819	0.9
188.64038	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0351
Annotation	Aspirin
Peak:m/z	Relative Intensity
56.98024	0.8
59.01385	7.1
63.02393	0.8
69.02779	6.2
69.26974	0.7
71.01387	3.7
72.04514	0.7
80.02666	0.7
81.03453	1.4
83.01408	0.7
83.45435	0.6
85.02956	1.0
87.00893	3.7
89.02454	1.2
91.05547	20.7
93.03472	1.2
94.02999	1.5
95.05054	3.5
99.00898	1.7
101.02487	0.9
107.01408	1.0
107.05072	3.1
108.02200	1.8
117.01965	0.8
117.07129	2.0
121.03008	0.8
121.06667	0.7
123.04580	0.9
133.06628	5.6
135.04543	100.0
135.08145	10.7
136.04822	4.8
137.06039	0.7
137.09729	4.6
149.06108	3.0
150.05626	1.1
151.00447	1.0
151.07671	1.8
153.05571	0.8
161.04573	2.0
161.06073	1.5
163.07628	0.8
164.04797	8.9
177.09242	1.8
179.03540	8.5
179.05566	2.2
179.07143	8.6
179.10785	17.4
189.36229	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0563
Annotation	1L-chiro-Inositol
Peak:m/z	Relative Intensity
57.87341	7.7
58.00592	8.3
59.01391	100.0
63.02405	49.4
65.00318	15.9
70.32595	18.0
70.32944	8.4
71.01385	68.2
83.01390	21.6
85.02962	14.6
87.00877	39.6
89.02457	31.5
94.03013	20.9
98.22425	8.3
99.00848	10.4
101.02444	12.8
101.87918	6.5
101.97311	6.4
107.01420	44.8
113.02480	9.2
125.95691	6.9
135.04526	38.6
151.00395	60.0
161.04596	16.3
169.01448	19.8
178.99876	36.5
179.03462	11.8
179.05524	32.8
179.07069	14.5
179.10760	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	179.0563
Annotation	alpha-D-Glucose
Peak:m/z	Relative Intensity
51.50267	1.5
57.03446	1.5
57.33376	1.5
58.00594	5.1
59.01385	100.0
61.64509	1.3
64.39751	1.4
70.07732	2.6
70.08121	4.1
71.01389	54.2
72.99316	5.6
74.49870	1.3
78.95907	1.4
79.01061	1.4
84.81641	1.7
85.02955	6.8
87.00905	2.0
89.02461	27.8
89.02964	2.4
90.98179	1.5
95.01405	3.7
99.68457	1.3
101.02480	8.4
101.20702	1.3
113.02457	7.8
119.03522	4.1
135.04564	3.1
139.07620	1.5
158.35338	1.4
195.33849	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	179.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93066	1.5
57.30390	1.4
57.67051	1.5
58.00584	3.3
59.01383	100.0
60.01685	1.6
65.93391	1.4
70.11067	5.1
71.01389	54.3
72.99303	4.5
78.95901	3.8
83.01406	1.6
85.02959	7.4
87.00904	3.4
89.02449	29.1
94.02968	1.7
95.01408	4.3
97.85430	1.5
98.22454	2.4
101.02451	8.2
113.02451	5.7
113.41460	1.6
119.03499	3.1
135.04510	6.5
179.03539	2.5
181.24411	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	179.0716
Annotation	Adriadysiolide
Peak:m/z	Relative Intensity
53.00301	2.2
55.01878	5.6
57.97816	1.8
58.27905	1.9
59.01099	2.0
59.01382	31.9
63.53640	2.0
65.03947	7.7
67.01876	5.5
69.03432	2.4
69.15881	17.2
71.01373	8.8
71.65562	1.9
71.73180	1.9
72.50513	1.8
81.03462	14.3
83.01392	10.5
85.02953	5.7
87.00862	13.9
89.02455	3.1
93.03477	7.2
93.07120	3.1
94.02991	3.1
95.05032	51.0
97.02962	3.6
97.06597	1.9
99.00874	4.0
101.02443	3.2
105.77271	2.0
107.05035	25.5
109.06612	2.4
117.07115	38.2
119.05034	4.6
121.02962	2.6
121.06600	3.7
123.04547	16.5
123.08185	3.2
125.02474	2.1
131.04999	3.8
133.06615	62.8
134.07004	3.0
135.04552	14.9
135.08179	100.0
136.08467	5.9
137.06047	2.7
149.06093	32.7
151.00404	3.5
151.03943	2.3
151.07680	27.8
161.04607	5.2
161.06042	25.3
178.99777	2.4
179.03534	3.3
179.05679	6.9
179.07141	85.5
180.07642	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	179.108
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67065	1.9
59.01385	100.0
63.02384	2.4
63.08319	1.9
65.71809	1.8
69.05441	9.1
69.05865	10.5
71.01389	3.6
87.00878	4.2
98.21709	3.6
107.01425	2.9
107.08676	14.4
135.04538	12.1
135.11850	9.6
139.55069	2.3
151.00372	3.9
161.04538	3.0
163.01721	1.7
166.42943	2.3
177.09213	3.7
179.05544	2.4
179.07095	2.5
179.10805	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	179.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63248	1.0
52.68517	1.1
55.97769	1.0
57.83289	1.0
59.01385	100.0
66.62972	1.1
69.42902	2.3
69.43315	4.7
83.05042	1.8
97.75222	1.1
107.08676	13.6
135.11813	7.1
138.30519	1.2
161.09689	4.3
177.09137	1.7
179.10786	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	179.1079
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
57.03447	2.0
57.87314	1.7
59.01384	100.0
63.02401	15.1
65.00323	5.1
69.03449	3.1
71.01395	21.3
73.02951	3.7
83.01397	8.1
85.02960	6.5
87.00883	30.8
89.02456	5.0
94.02991	6.2
97.02945	2.4
99.00896	6.7
101.02448	4.7
107.01409	17.5
107.05038	2.9
107.08669	14.4
108.02168	4.7
108.04602	2.3
112.58517	1.7
113.02499	2.1
117.01975	3.3
121.02967	9.5
125.02418	4.4
133.02940	1.9
134.03726	1.9
135.00896	2.5
135.04553	28.2
135.08182	3.3
135.11819	5.9
136.01700	2.3
136.04877	2.2
141.01895	2.1
141.10219	1.6
151.00389	21.2
151.07686	3.0
159.02998	2.9
161.04591	13.5
161.09698	5.2
164.01160	5.4
164.04770	2.7
169.01425	9.3
175.79547	1.9
177.09268	3.3
178.99875	13.7
179.03543	10.1
179.05589	16.8
179.07133	6.0
179.10786	28.4
180.03001	2.6
180.06544	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	180.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47485	0.3
57.97562	0.6
59.01390	1.8
60.01707	0.4
66.03476	0.5
70.82062	0.3
70.82380	0.5
71.01385	1.4
72.01710	0.2
72.51514	0.3
72.99301	0.5
81.03485	0.7
85.02966	0.8
86.38541	0.3
87.00853	0.3
89.02445	0.6
92.05057	0.3
93.03461	0.6
94.02992	100.0
95.03329	3.1
96.04588	0.4
96.95992	0.3
101.02451	0.9
108.04560	0.3
109.02956	0.5
119.05048	1.0
121.02979	4.0
121.96378	0.3
122.06136	0.5
134.06093	0.3
135.04552	0.5
136.03969	0.5
136.04900	0.7
136.07709	0.5
137.02408	0.8
148.04066	3.7
151.00345	0.6
163.04045	0.3
166.02689	1.7
178.25668	0.3
180.01360	0.4
180.06679	3.8
180.81351	0.3
181.05093	0.7
181.07193	0.5
191.85074	0.3
199.18913	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09281	0.2
55.86191	0.2
59.01371	0.5
66.03477	0.7
71.00093	0.2
71.01392	0.2
71.93034	0.2
85.02969	0.5
93.03503	0.3
94.02994	100.0
95.02757	0.3
95.03331	2.4
96.04566	0.2
101.02458	0.3
105.89366	0.2
107.05064	0.4
110.49976	0.2
115.04044	0.2
119.05010	0.9
121.02962	0.5
121.05327	0.2
122.03767	0.3
134.06108	0.4
135.04533	0.3
136.04880	0.5
136.07683	1.5
136.08553	0.2
137.02426	0.3
137.06104	0.2
137.09726	0.4
138.01968	0.2
139.66682	0.2
147.73073	0.2
151.00421	0.2
163.03984	0.4
166.02696	0.6
180.03108	0.4
180.06644	2.9
180.10336	0.6
181.05093	0.6
181.07220	0.4
181.08669	1.3
190.22774	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0872
Annotation	2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetate
Peak:m/z	Relative Intensity
56.57018	2.0
58.77095	2.3
59.01383	52.7
61.09602	2.3
62.72501	2.1
65.00324	4.0
67.01887	3.4
69.03462	100.0
70.10089	2.2
71.01386	15.0
73.02949	3.7
81.03448	4.8
83.01377	2.6
83.05032	31.3
85.02932	2.7
89.02455	6.4
91.05563	4.1
93.03477	10.9
94.02975	2.9
95.01396	3.2
95.05023	9.0
96.04576	6.2
98.21784	4.9
101.02445	9.9
107.05042	5.8
108.05836	6.4
109.06579	20.0
110.03775	4.3
119.04976	2.9
119.08679	9.0
121.02946	8.3
121.06615	3.5
123.00890	5.5
135.08189	11.2
137.02397	4.2
137.09741	72.8
151.00368	9.0
153.09183	5.1
163.07626	13.7
166.02728	16.9
181.01541	2.4
181.05057	5.6
181.07141	6.9
181.08702	22.3
181.12387	13.7
181.92885	4.5
182.04597	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	181.1236
Annotation	1-Methoxy-3-myodesertene
Peak:m/z	Relative Intensity
57.03432	3.1
59.01373	6.0
61.98819	4.3
65.00311	5.6
66.45844	1.4
69.03461	4.4
71.01385	9.9
71.05026	3.9
73.02942	4.1
77.63763	1.4
81.03479	1.6
83.04995	2.2
84.02180	1.9
85.02952	2.1
85.17605	1.8
89.02451	4.6
93.03455	7.9
96.96010	3.9
97.02969	4.7
97.06594	3.5
101.02450	5.8
123.00912	3.1
125.09740	16.5
136.98839	5.2
137.02466	3.5
138.02026	1.7
143.86530	2.4
149.02650	1.5
151.00383	6.3
152.94525	1.9
153.12863	13.7
161.87503	2.3
163.11320	13.3
166.02702	6.9
179.10818	6.8
180.85892	6.6
181.01459	2.0
181.05052	2.5
181.07225	3.9
181.12360	100.0
181.83821	2.4
181.92947	22.2
182.12656	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	181.1236
Annotation	1-Methoxy-3-myodesertene
Peak:m/z	Relative Intensity
52.94325	0.8
59.01382	9.1
65.00333	1.5
68.90134	0.6
69.66116	1.8
69.66500	1.7
71.01385	4.0
71.05038	1.0
72.37094	0.7
73.02936	1.0
74.15751	0.9
83.05029	1.5
85.02995	0.8
89.02459	2.1
93.03475	3.6
95.01405	0.9
96.04590	0.9
97.02999	1.0
97.06602	1.0
101.02461	2.8
104.14276	0.7
110.03761	3.2
119.03552	0.9
121.02972	1.8
123.00902	2.4
125.09752	1.5
134.11874	0.7
135.45807	0.6
137.02635	1.0
142.02777	3.8
142.78778	0.7
151.00380	2.9
153.12799	0.8
163.11281	8.7
164.11597	0.7
166.02710	4.8
175.70930	0.7
181.01439	0.8
181.05121	1.1
181.07074	2.5
181.08830	2.3
181.12357	100.0
181.92989	2.8
182.12656	4.2
188.26770	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1236
Annotation	1-Methoxy-3-myodesertene
Peak:m/z	Relative Intensity
59.01379	14.7
60.03349	1.2
60.50570	1.0
60.96714	1.0
65.00343	1.1
71.01388	2.2
83.05032	1.3
84.60005	1.2
89.02489	1.3
93.03462	2.0
136.66083	1.2
136.98856	1.1
151.00394	2.3
163.11275	11.2
166.02701	1.8
181.12358	100.0
181.93054	1.7
182.12648	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	182.0459
Annotation	4-Pyridoxate
Peak:m/z	Relative Intensity
52.56520	0.3
62.68373	0.3
63.29862	0.3
70.64004	0.7
70.64359	0.6
81.80584	0.3
85.69413	0.3
92.05076	4.3
94.02999	2.4
95.03819	0.3
96.04536	0.6
96.96015	0.9
107.03845	0.3
108.04565	56.9
109.04271	0.3
109.04891	1.7
110.06150	0.8
120.04568	4.6
122.02494	1.1
123.00895	0.4
123.03335	1.5
136.04074	1.5
138.05620	100.0
138.44124	0.3
139.05974	3.4
152.03539	0.9
176.63033	0.3
182.04596	19.5
183.04912	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0823
Annotation	N-Methyl-3,4,5-trihydroxyphenethylamine
Peak:m/z	Relative Intensity
53.32882	3.0
54.82514	3.5
71.28986	4.0
80.05054	7.5
94.02989	4.9
95.01392	10.3
96.04556	44.3
110.06146	6.9
123.00882	9.6
123.94052	3.3
138.05672	4.8
148.36778	3.1
156.08182	3.1
166.99899	4.1
167.99419	6.1
173.99240	3.0
182.04639	6.8
182.08235	100.0
183.00406	3.8
183.10408	5.1
189.55533	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	183.1028
Annotation	10-Oxo-8E-decenoic acid
Peak:m/z	Relative Intensity
55.32965	0.9
59.01379	3.1
67.01871	1.3
68.13512	0.9
69.03454	3.4
69.06068	2.3
69.06473	8.5
71.01367	1.2
71.04996	1.0
83.05032	1.8
95.01400	1.2
99.36344	1.1
102.51510	0.9
109.06602	2.8
111.00880	1.3
111.08207	1.3
112.00394	1.3
121.06626	1.1
123.00897	2.9
124.04048	1.5
127.07697	1.6
137.09709	2.7
139.00345	1.3
139.07646	4.0
139.11310	16.6
152.98380	1.2
153.00691	1.2
155.10788	20.8
165.09238	3.9
167.99431	9.3
171.75317	1.1
172.99620	1.1
182.99226	1.0
183.00516	7.1
183.10278	100.0
184.10654	4.1
188.02831	1.0
200.54390	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	35.5
60.45394	5.7
64.92068	5.8
68.99829	7.4
69.03455	11.4
69.26899	50.8
71.01391	17.2
77.20959	5.9
82.39980	7.6
87.00906	9.4
90.48363	6.5
92.05045	12.5
95.08112	6.5
96.04534	10.4
97.02943	11.3
97.06577	10.5
98.02483	25.0
111.04527	9.7
112.04055	23.7
115.02480	7.6
117.00467	10.5
122.06149	26.0
123.04508	7.1
124.04056	10.6
131.02068	12.1
139.03987	8.1
140.02057	41.6
140.07179	19.9
141.99930	19.3
142.96654	41.6
146.35063	7.2
156.99979	18.2
158.03717	13.7
159.01534	11.1
160.97720	11.1
184.01056	100.0
184.06136	21.1
184.97603	10.3
185.01178	15.1
189.96974	6.8
202.98703	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	184.0103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	19.2
77.79281	6.3
87.17357	6.4
95.96007	7.4
97.98940	5.9
112.07359	7.3
140.02039	60.7
142.00005	9.9
168.48819	7.1
179.65337	6.1
184.01012	100.0
185.01103	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	184.0104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	35.5
60.45394	5.7
64.92068	5.8
68.99829	7.4
69.03455	11.4
69.26899	50.8
71.01391	17.2
77.20959	5.9
82.39980	7.6
87.00906	9.4
90.48363	6.5
92.05045	12.5
95.08112	6.5
96.04534	10.4
97.02943	11.3
97.06577	10.5
98.02483	25.0
111.04527	9.7
112.04055	23.7
115.02480	7.6
117.00467	10.5
122.06149	26.0
123.04508	7.1
124.04056	10.6
131.02068	12.1
139.03987	8.1
140.02057	41.6
140.07179	19.9
141.99930	19.3
142.96654	41.6
146.35063	7.2
156.99979	18.2
158.03717	13.7
159.01534	11.1
160.97720	11.1
184.01056	100.0
184.06136	21.1
184.97603	10.3
185.01178	15.1
189.96974	6.8
202.98703	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	185.1184
Annotation	Epomediol
Peak:m/z	Relative Intensity
51.70081	0.4
51.70354	0.3
57.03447	3.0
59.01349	0.4
62.09729	0.4
69.03465	0.7
71.05045	0.4
71.28636	0.6
71.29015	0.4
73.90045	0.3
83.49740	0.4
114.12698	0.4
116.05085	2.1
123.08188	1.2
125.09734	10.8
126.10030	0.4
139.11293	6.2
140.05107	0.6
141.09215	2.5
142.06633	100.0
158.06059	0.5
167.10901	0.4
185.08231	0.7
185.11833	21.5
186.05626	2.5
186.12125	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0561
Annotation	Indoleacrylic acid
Peak:m/z	Relative Intensity
56.70090	0.2
57.03422	0.1
71.29568	0.2
95.75543	0.2
107.65452	0.1
111.95798	0.1
116.05069	2.1
122.50571	0.1
125.09739	0.2
130.06656	0.2
132.08679	0.1
140.05112	0.7
142.06631	100.0
143.06987	4.9
158.06117	0.3
159.04527	0.3
186.05609	3.0
186.12332	0.3
187.04030	0.3
187.05997	0.2
189.21959	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.0
96.36419	0.8
97.06559	0.9
101.09205	0.7
102.04783	0.8
103.05576	3.2
124.66636	0.8
125.09743	2.2
130.03267	1.5
130.04254	26.8
131.05049	32.4
132.05339	1.3
138.89044	0.7
158.03741	32.6
159.04526	100.0
160.04877	5.0
182.11263	0.8
182.22353	0.7
186.03270	1.7
187.04015	56.2
187.07542	3.9
187.09691	1.8
187.11253	3.9
188.04320	2.4
204.04118	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0401
Annotation	Plumbagin
Peak:m/z	Relative Intensity
57.03456	2.1
59.01383	2.1
70.47380	1.5
73.24143	0.8
76.62608	0.7
77.98424	0.9
93.85336	0.8
102.04770	1.4
103.05525	3.6
125.09728	3.5
129.05588	4.8
130.03278	1.4
130.04253	26.1
131.05051	34.9
132.05351	1.8
144.04628	1.0
158.03746	31.6
159.04524	100.0
160.04887	5.4
169.08730	2.1
186.03297	2.0
187.04010	58.9
187.09694	2.2
188.04349	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	187.0403
Annotation	Plumbagin
Peak:m/z	Relative Intensity
51.76879	0.5
54.15332	0.6
60.75384	0.6
68.06683	0.6
69.35210	4.8
71.01378	0.6
75.69192	0.6
102.04770	0.8
103.05522	3.4
103.63377	0.6
125.09765	0.7
130.03270	1.1
130.04262	26.8
131.05058	32.8
132.05376	1.4
158.03755	34.8
159.04541	100.0
160.04921	4.1
180.15192	0.6
186.03232	2.2
187.04034	55.4
188.04456	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	187.0403
Annotation	Plumbagin
Peak:m/z	Relative Intensity
50.48663	0.6
53.99297	0.6
57.03474	1.1
59.01395	3.1
68.81907	0.8
70.93120	1.5
71.01386	4.7
73.02982	0.7
83.05049	2.1
88.03369	0.7
90.97122	0.9
96.99346	2.3
97.06637	1.0
98.75960	0.7
103.05569	3.8
105.82652	0.7
123.36221	0.7
124.98138	0.8
125.06113	1.6
125.09756	2.8
130.04266	25.5
131.05049	34.3
132.05380	1.6
141.09273	1.0
141.86816	1.0
144.04573	2.4
144.08202	0.8
158.03741	37.1
159.04536	100.0
159.87794	0.7
160.04959	4.0
169.08742	2.0
172.76109	0.7
186.03191	2.3
187.04022	56.7
187.09723	3.4
187.11234	0.8
188.04468	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	187.0613
Annotation	2-Oxosuberate
Peak:m/z	Relative Intensity
53.93709	0.7
58.98595	0.7
59.01383	17.4
70.99656	0.9
70.99992	1.1
71.07307	0.9
73.23562	0.7
81.03461	2.2
83.05032	100.0
84.05370	1.5
100.30367	0.7
114.46966	0.7
125.06092	87.9
126.06461	2.7
127.04028	11.1
169.05078	7.8
177.91486	0.7
187.06139	10.9
205.01279	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77874	0.7
59.01382	18.4
65.03954	0.8
65.25426	0.8
65.98936	0.7
69.76809	1.4
69.77219	3.1
70.30829	0.7
71.47607	0.7
81.03461	2.5
83.05031	100.0
84.05368	2.6
97.06610	0.9
125.06093	79.5
126.06427	2.2
127.04016	12.3
141.86845	1.6
143.07141	1.1
169.05074	5.9
187.06133	11.2
198.83444	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0978
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
57.03453	3.9
59.01373	0.4
69.03479	0.4
69.19576	1.0
69.19990	1.1
78.97549	0.3
80.02683	0.5
83.05032	1.0
83.09916	0.3
90.69333	0.3
91.64020	0.3
94.26230	0.3
95.05038	1.0
97.06598	12.9
97.55105	0.3
98.06939	0.5
98.21690	0.3
106.05505	0.3
123.08176	5.8
125.09737	100.0
126.10076	3.7
143.10788	2.6
146.94656	0.3
159.04488	1.0
169.08731	2.5
172.05247	0.3
187.09775	38.8
188.10068	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	187.0977
Annotation	2-methylbutyl (acetyloxy)acetate
Peak:m/z	Relative Intensity
52.53432	1.0
58.52089	0.9
59.01384	98.7
61.17930	0.9
68.98521	10.3
71.01394	1.4
88.65351	1.0
95.07689	0.8
97.06606	1.7
99.08165	35.6
107.04036	1.1
117.72970	0.9
117.91106	1.2
125.09725	5.4
127.07657	17.1
127.08542	1.3
127.89935	0.9
131.05051	2.3
143.07082	1.2
145.08720	100.0
146.09081	2.3
158.03758	2.7
159.04509	7.1
187.03957	4.3
187.07629	2.4
187.09747	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	191.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	7.2
59.01385	1.8
63.31416	0.5
67.01890	4.0
70.63970	1.1
70.64294	0.8
71.01382	1.7
73.02954	1.1
79.37918	0.5
85.02962	40.1
87.00886	49.3
93.03484	3.6
99.00881	0.9
101.02480	0.8
109.02969	0.7
111.00897	100.0
111.04550	1.0
112.01229	3.0
127.04043	2.1
129.01952	6.9
130.99928	0.7
135.95613	0.6
147.02936	0.6
152.77330	0.6
154.99886	0.8
157.13832	0.7
173.00940	1.9
173.04584	1.0
191.02014	10.8
191.05640	39.2
192.05969	1.7
196.62233	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0352
Annotation	Pisonin F
Peak:m/z	Relative Intensity
52.17703	0.3
57.03447	0.8
59.01385	0.4
60.03227	0.3
69.21917	2.3
69.22325	0.6
85.02962	3.7
87.00892	6.1
87.76555	0.3
93.03472	0.9
98.21798	0.8
111.00893	11.1
119.05037	1.4
121.02969	100.0
122.03312	3.1
129.01962	0.6
135.04520	0.6
147.04532	5.5
163.04097	1.8
173.00957	0.4
191.01967	0.8
191.03532	8.1
191.05635	4.0
191.10791	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0563
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
57.03441	2.3
59.01377	3.3
65.03957	0.3
67.01891	1.9
69.03447	0.9
69.41313	1.7
71.01386	3.8
72.99306	0.3
73.02942	1.3
77.32534	0.2
81.03458	1.2
83.01372	0.5
83.05033	1.1
85.02957	27.8
86.03307	0.6
87.00882	9.5
93.03468	7.9
94.03812	0.4
95.01408	0.3
99.00882	1.4
99.04522	1.3
101.02419	0.3
109.02959	1.6
111.00890	9.6
111.04527	2.4
127.04018	4.9
129.01164	0.3
129.01973	2.5
136.46339	0.3
137.02411	0.3
148.95061	0.5
171.02992	1.4
173.04567	1.7
191.05621	100.0
192.05957	3.6
205.08759	0.2
207.08743	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0563
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
51.38179	0.2
57.03451	2.7
59.01383	3.9
60.99290	0.3
67.01891	1.8
69.03468	1.2
69.64140	0.8
69.64556	0.6
71.01394	2.4
71.05034	1.4
72.99320	0.4
73.02953	1.0
81.03474	1.6
83.05046	1.2
83.11189	0.2
85.02956	33.5
86.03304	0.6
87.00880	16.4
93.03463	9.9
94.03831	0.2
97.06612	0.8
98.21815	0.4
99.00901	0.4
99.04535	0.9
101.02467	0.4
104.13661	0.2
107.05035	0.4
108.02176	0.4
109.02943	2.0
111.00890	21.3
111.04526	2.6
112.01266	0.6
113.02487	0.4
119.05024	0.5
125.08953	0.2
127.04029	5.4
129.01936	1.4
135.08173	0.6
137.02438	0.3
147.04524	0.6
148.04051	0.4
153.01892	0.2
155.03481	0.4
171.02974	1.4
173.00946	0.5
173.04570	2.3
174.51585	0.3
176.01128	1.6
191.02171	2.4
191.05620	100.0
192.05943	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	191.0716
Annotation	epi-Isoshinanolone
Peak:m/z	Relative Intensity
50.13306	1.4
51.39921	1.3
55.60432	1.5
56.17676	1.3
57.03452	9.3
58.00591	7.5
59.01384	5.7
62.18161	1.4
67.01898	4.4
69.03452	6.2
71.01385	5.8
73.02944	2.0
85.02959	51.4
87.00885	46.5
88.01223	1.5
93.03471	43.4
98.21727	3.0
104.05044	1.7
108.02180	2.5
109.02938	3.3
111.00895	100.0
112.01259	4.1
118.99340	5.0
119.05025	7.4
121.02985	3.8
127.04000	2.1
129.02002	7.1
130.04288	8.2
132.05800	9.3
133.06613	12.8
135.04532	2.0
143.05074	12.0
145.02991	3.1
145.06609	23.7
146.06999	1.9
147.04549	13.1
147.08189	2.5
158.03709	3.9
161.06073	18.6
163.00368	15.1
163.04034	2.6
163.07669	21.3
171.04582	1.8
173.00935	2.0
173.06096	13.6
175.04001	4.5
176.01180	4.7
176.04752	1.8
190.99908	5.9
191.01961	8.4
191.03618	7.4
191.05624	57.2
191.07199	16.5
191.10780	4.7
192.06276	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1079
Annotation	Ibufenac
Peak:m/z	Relative Intensity
52.27257	1.3
55.01876	4.4
57.03451	10.4
59.01374	3.9
67.01893	4.3
69.27997	10.9
71.01380	2.4
71.05024	92.3
72.05370	2.2
73.02930	1.3
75.69664	1.5
80.02683	2.3
81.03470	4.8
83.05013	1.6
85.02953	46.1
87.00880	54.2
91.05531	2.1
93.03465	10.0
95.05051	3.7
97.06597	55.3
99.04533	2.7
106.04280	2.7
106.67514	1.3
107.05034	14.5
109.02968	1.5
109.06604	18.6
111.00888	100.0
111.04491	1.8
112.01221	2.1
113.06138	3.4
119.05062	6.7
124.28638	1.4
127.04050	3.1
129.01941	5.4
133.06645	2.0
135.04517	1.4
135.08167	49.8
136.05284	1.6
136.08534	1.7
137.06024	1.9
144.05792	1.3
144.66490	1.3
147.04546	7.1
147.08200	1.6
149.06076	3.4
149.09717	2.0
159.14935	1.3
161.06039	1.8
162.06891	4.4
164.34528	1.2
171.03014	1.3
173.00974	2.4
173.04648	1.9
173.09715	7.2
176.01187	3.1
191.02071	7.9
191.05629	67.2
191.07327	3.3
191.10771	46.0
192.06601	2.0
192.11113	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	193.0507
Annotation	trans-4-Hydroxy-3-methoxycinnamate
Peak:m/z	Relative Intensity
61.58167	1.1
69.66113	5.5
73.02905	1.0
78.95921	1.4
88.80574	1.0
93.03474	2.4
94.57315	1.0
96.97007	2.1
97.46959	0.9
98.22513	1.3
99.24287	1.0
101.28239	0.9
106.04248	1.5
107.03783	31.4
108.04600	1.8
109.02959	1.0
111.00892	1.4
121.02988	10.6
125.33617	1.0
133.02983	7.5
134.03757	100.0
135.04108	3.2
136.01793	1.1
137.02470	18.9
138.02832	1.7
139.02785	3.3
139.04039	6.6
146.91495	1.0
149.02470	3.8
149.06096	17.6
150.03261	1.4
150.09306	2.0
150.94891	1.2
161.30954	1.1
178.02730	59.2
193.01491	1.7
193.05045	22.7
194.08195	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	193.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25439	0.5
60.01575	0.7
69.55643	2.8
106.04258	1.8
110.54929	0.5
111.00921	1.0
120.80875	0.5
121.02964	4.4
121.06567	0.7
122.06070	0.5
133.02960	6.4
134.03757	100.0
135.04071	3.4
137.02454	16.3
139.04044	6.0
149.02454	1.4
149.06088	16.9
149.07237	1.0
149.09732	1.6
150.03239	1.7
165.01947	0.8
178.02733	51.7
179.03040	2.0
193.05081	16.9
193.08687	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00488	0.2
59.01368	0.3
72.33234	0.2
72.75249	0.2
75.00874	1.6
87.00900	0.4
92.00740	0.2
94.02990	1.3
96.49643	0.2
96.89050	0.3
98.21698	0.4
103.77472	0.2
107.03783	100.0
108.04072	1.5
108.04594	1.9
109.01691	0.6
109.32177	0.2
110.02553	0.4
123.04531	0.3
132.04494	0.3
132.88358	0.2
135.04079	0.9
136.01723	0.5
137.02501	0.3
139.02771	17.1
139.23688	0.2
140.03139	0.5
149.02495	0.4
150.08102	0.5
150.09262	6.1
150.10469	0.3
151.09587	0.3
152.91794	0.3
179.02185	1.6
194.04665	0.8
194.08209	7.2
195.05168	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0511
Annotation	Gluconic acid
Peak:m/z	Relative Intensity
55.01860	0.8
57.03456	4.4
59.01379	18.3
68.99820	1.0
71.01391	10.9
71.06445	1.4
72.99319	7.5
73.02953	1.0
73.22786	0.8
75.00878	100.0
76.01250	0.7
82.41103	0.7
83.01387	0.9
84.02217	0.8
85.02953	6.3
87.00883	16.5
87.04527	1.0
89.02456	5.3
99.00891	13.7
101.02429	2.3
105.01949	3.0
110.02466	1.2
111.00864	1.3
129.01956	39.9
130.02298	1.8
141.01950	0.7
147.03041	1.0
159.03008	5.9
167.01302	0.6
177.04085	4.6
184.17993	0.7
192.87236	0.6
195.05112	57.8
196.05426	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	1.1
59.01383	7.9
69.01334	4.6
69.01763	2.8
71.01383	2.3
75.00881	1.0
79.77152	0.7
80.02676	4.5
81.03456	2.3
95.05030	71.9
96.05366	2.8
98.21818	1.8
108.02203	1.2
113.63790	0.8
120.05798	0.8
121.06631	0.9
123.04523	1.1
123.08166	2.3
135.08177	52.4
136.08521	1.8
149.09698	5.3
150.03159	0.7
151.03960	0.9
151.11296	100.0
152.11650	4.4
177.09201	3.5
181.00240	1.5
195.03278	0.9
195.05116	1.0
195.10284	36.1
196.10663	1.4
199.74501	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1029
Annotation	(+)-Loliolide
Peak:m/z	Relative Intensity
57.03443	5.8
59.01387	22.4
69.00814	14.3
69.01243	9.9
69.03461	100.0
75.00909	3.4
83.05011	9.3
93.03475	4.9
95.05031	9.9
97.06586	7.2
99.44451	2.9
107.08704	2.7
108.05807	4.7
113.06100	3.3
121.06580	3.4
123.04533	4.7
129.01984	3.5
129.02905	2.9
133.10240	3.1
149.09744	6.4
151.00424	2.8
151.11302	47.7
152.91753	4.3
159.08186	4.8
160.84222	28.0
165.57697	2.6
167.10759	11.2
177.09239	23.2
181.00160	3.3
181.58459	2.6
194.92943	3.1
195.08881	2.2
195.10291	58.7
195.13898	3.7
195.81070	13.4
196.10532	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	195.1028
Annotation	(+)-Loliolide
Peak:m/z	Relative Intensity
57.03442	3.3
59.01385	100.0
61.95481	0.8
62.25105	0.8
62.70453	0.9
65.51255	0.9
69.03465	4.8
71.01389	31.9
74.68424	0.7
75.00877	1.6
81.03464	1.3
81.07113	1.1
82.71819	0.8
83.05045	1.4
93.03439	1.3
95.05034	4.2
98.22603	1.9
107.05042	2.4
107.66306	0.7
109.02969	2.4
109.06577	2.5
110.02520	1.2
111.04512	0.9
113.02469	1.3
115.04015	4.5
121.06609	1.6
123.08176	30.4
133.10263	3.0
135.08173	8.8
137.09694	1.0
151.10089	1.8
151.11302	29.7
152.11633	1.3
159.08083	1.0
177.09282	4.5
180.04291	0.9
181.00148	2.8
195.05141	1.5
195.06636	1.8
195.10275	51.8
196.10574	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1392
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
58.33905	0.3
60.94125	0.4
61.98803	0.4
69.52533	1.3
69.52967	1.2
80.15089	0.4
98.22465	0.5
109.06599	4.7
111.08161	4.1
122.03745	0.7
125.09727	1.3
135.11792	0.5
138.06851	0.9
139.07678	0.4
144.05634	0.3
152.91792	0.7
160.84222	13.0
167.13011	0.5
167.14432	8.3
179.10791	5.5
180.11559	0.6
181.00114	0.4
195.13914	100.0
195.81097	5.2
196.14236	4.7
196.15771	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.098
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03485	0.3
71.29544	0.3
78.03492	4.3
80.05064	88.8
81.04810	0.2
81.04906	0.2
81.05390	1.7
83.01400	0.3
85.02963	1.9
94.02995	1.9
95.01365	0.2
96.04562	35.9
97.04890	0.6
110.02511	1.1
110.06126	100.0
110.54916	0.2
111.05817	0.3
111.06473	2.3
122.02493	1.1
123.00903	0.9
131.53731	0.2
135.00793	0.4
153.01935	0.4
153.09221	0.2
166.00233	0.3
166.99808	0.6
181.00185	1.0
182.02225	0.9
196.02559	0.4
196.09799	8.4
197.04578	0.4
197.10104	0.3
197.11815	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26221	1.0
69.26639	1.6
78.03497	5.4
80.05065	93.3
81.05381	1.6
81.35041	0.3
85.02964	1.8
94.03006	1.7
96.04559	35.9
97.04906	0.7
110.02517	2.1
110.06128	100.0
111.06470	2.0
122.02512	1.0
123.00905	0.9
150.40427	0.3
160.84248	0.4
166.99857	0.9
174.71910	0.4
181.00174	1.3
182.02245	1.2
196.05983	0.4
196.09802	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0206
Annotation	2,4-Dinitroanisole
Peak:m/z	Relative Intensity
51.23264	0.9
61.98823	1.0
65.03961	1.9
75.29861	0.8
88.86580	0.8
93.03461	0.9
95.01386	3.6
109.02957	14.6
112.01681	1.1
121.02972	2.6
122.02550	1.2
123.00907	11.9
125.93636	2.0
126.90530	1.0
129.09038	0.9
137.01454	1.5
137.02458	21.5
138.01999	1.6
138.03204	1.7
140.03554	4.8
150.01973	3.9
152.96028	0.9
153.01849	1.0
153.05614	1.5
160.84216	10.7
161.84253	1.9
162.83931	32.9
166.01440	1.5
166.98563	1.4
166.99916	7.8
167.02238	11.4
167.99394	10.2
180.01787	17.9
182.02225	16.5
183.01706	12.4
194.31462	0.8
197.02054	100.0
197.11891	4.0
197.80824	9.0
198.02338	3.4
198.04086	2.1
212.00734	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	197.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.0
59.01383	1.6
69.03467	1.2
69.33865	2.2
69.34264	6.1
78.57722	1.2
80.02686	48.3
81.03465	17.1
83.05046	1.4
85.08643	1.1
91.05548	3.4
93.03474	3.2
93.28770	1.1
95.01402	3.8
97.02955	8.3
107.05034	16.7
109.02956	1.6
109.06601	100.0
110.06923	3.7
121.03015	2.9
123.00900	11.8
124.01723	1.6
125.06125	1.6
135.04550	2.6
135.08105	2.2
138.03230	2.7
142.06628	6.7
153.05588	30.9
153.09219	2.0
154.08900	1.1
160.84151	1.5
162.83908	3.1
166.99879	7.0
167.99361	7.2
179.07158	2.6
182.02220	16.1
183.01672	6.9
197.04587	8.7
197.06078	1.3
197.08228	4.4
197.10950	3.3
198.04141	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	197.0821
Annotation	cis-2,3-Dihydroxy-2,3-dihydro-p-cumate
Peak:m/z	Relative Intensity
59.01385	5.0
63.55434	0.9
70.08848	1.7
70.09242	1.9
73.02927	1.1
79.95755	9.9
81.03464	3.8
84.02165	0.9
95.01411	1.7
95.05062	1.3
95.95240	1.8
96.96015	11.8
97.02954	11.5
97.06602	2.7
99.04520	3.2
104.70918	0.9
107.05027	1.6
110.03734	7.2
115.07887	0.9
117.07112	9.9
118.98696	0.8
123.00880	5.0
123.04530	15.4
133.05721	1.0
133.06573	5.7
135.08176	30.9
136.08444	1.4
138.42285	0.9
142.02727	8.3
153.05722	1.4
153.09232	62.1
154.09589	2.3
166.99875	2.9
167.99419	4.5
179.07143	18.7
180.07443	1.6
182.02228	10.6
183.01770	6.1
195.79802	1.0
197.04474	3.0
197.08205	100.0
197.11848	4.7
198.04619	12.4
198.08543	4.9
207.22098	0.8
209.12970	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1184
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01358	1.1
59.88305	0.7
61.98819	0.8
69.03448	2.5
70.18391	1.8
70.18785	1.7
76.01584	0.7
83.05005	1.2
89.60293	0.8
90.95408	0.8
94.45979	0.8
95.01377	1.7
95.72379	1.0
98.22375	1.0
123.00922	5.4
136.97624	0.8
138.03253	1.6
141.09206	1.0
151.11311	0.8
152.96057	1.0
153.01988	0.9
153.05528	0.8
153.09242	2.3
153.12871	5.6
160.84219	19.3
161.84253	2.9
162.83925	49.5
166.99872	5.2
167.99385	6.7
168.90434	1.4
169.12343	19.0
179.10791	1.8
182.00751	1.2
182.02219	8.9
183.01744	6.9
197.02080	1.5
197.04590	1.6
197.11845	100.0
197.80800	25.6
198.04010	1.0
198.12146	3.7
210.61148	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.7
60.78513	0.6
61.98819	1.1
65.00352	1.0
69.03442	1.2
69.38013	4.2
69.38420	1.2
88.03912	0.6
95.01383	2.1
99.73055	0.7
109.02917	1.2
116.92838	1.4
120.27169	0.8
121.03000	0.9
123.00885	8.3
125.09715	0.9
126.90512	2.1
137.02528	1.0
138.03238	1.5
141.09271	1.3
153.05635	0.8
153.09239	2.0
153.12859	2.9
160.84233	35.2
161.84256	6.2
162.83928	100.0
166.99875	6.5
167.99390	9.2
168.90509	1.5
169.12350	12.9
171.02559	0.7
179.10791	1.5
182.00647	0.8
182.02229	13.7
183.01721	11.0
196.81212	2.1
197.02069	1.6
197.04597	2.8
197.11841	71.2
197.80815	60.5
198.04095	2.5
198.12187	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	197.1185
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
55.01870	0.5
57.03441	1.0
59.33087	0.3
69.03464	2.0
71.01395	0.3
71.05023	4.4
78.46410	0.2
80.02664	0.5
81.03411	0.3
83.05057	0.3
95.01408	0.5
97.06610	0.6
109.02439	0.2
121.02954	0.3
123.00908	1.6
123.08174	0.6
125.09736	1.8
137.09731	0.4
138.03276	0.3
151.11301	0.5
153.05566	0.7
153.12880	3.4
162.55028	0.2
166.99828	1.2
167.99374	1.6
179.10829	2.2
182.02248	2.6
183.01729	1.9
197.11842	100.0
198.04276	0.3
198.12199	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	197.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	26.4
69.03470	1.9
70.60331	1.3
71.01385	3.2
71.31544	2.1
71.31900	2.0
83.05025	2.0
95.01392	6.9
97.06573	2.0
107.06071	1.5
107.08650	3.0
109.06736	1.8
121.02957	4.7
121.10205	1.7
123.00908	22.1
125.93659	2.4
126.90529	3.0
128.25275	1.4
130.65863	1.6
135.11777	6.6
137.02507	2.0
138.03227	4.7
149.09741	7.2
152.96008	1.5
153.05589	3.8
153.09212	1.7
153.12881	4.7
164.81398	1.6
166.99873	17.7
167.10779	48.9
167.99409	19.1
168.11160	2.2
169.12358	4.9
179.10782	25.3
182.00627	1.8
182.02213	33.7
183.01688	20.1
191.27214	1.4
197.04547	6.7
197.11832	100.0
198.04085	4.7
198.12173	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	197.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58411	0.6
57.03439	0.7
59.01378	1.3
61.33863	0.6
69.03448	3.0
69.50021	0.7
71.05006	0.7
71.32557	1.3
72.02374	0.6
72.23229	0.7
77.36480	0.6
82.28268	0.7
83.05024	1.0
95.01406	3.6
97.06622	0.6
107.06158	0.7
108.02168	1.0
112.01656	1.8
114.55824	0.7
121.02959	2.7
121.06618	1.7
123.00901	13.7
125.09684	0.9
125.93642	0.9
126.90530	1.2
137.06102	1.2
138.03233	3.7
141.09200	1.1
149.26096	0.7
151.11253	0.9
152.96051	0.9
153.01906	0.7
153.05594	1.5
153.09189	2.1
153.12851	4.5
154.05115	1.0
160.84203	2.8
162.83940	9.5
166.99869	8.4
167.99361	9.4
169.12338	13.5
170.12758	0.8
179.10773	1.9
182.00616	1.5
182.02216	17.2
182.03749	1.3
183.01701	11.3
197.02011	0.8
197.04709	3.4
197.11839	100.0
197.80771	7.0
198.04099	2.0
198.12218	4.9
201.97902	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1185
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01390	0.6
64.10880	0.5
69.03455	1.5
69.70684	0.9
69.71101	1.5
83.05031	0.8
91.68525	0.4
97.06599	0.7
98.22517	0.6
123.00900	2.0
125.09739	0.4
133.40370	0.4
141.09236	1.1
151.11224	0.6
153.05592	0.6
153.09247	1.7
153.12845	3.5
160.84186	0.8
162.83908	2.6
166.99840	1.7
167.99380	1.7
169.12355	19.0
170.12683	1.2
179.10802	1.9
182.02237	2.8
183.01726	2.6
197.11838	100.0
197.80745	1.8
198.12186	4.3
217.07233	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.1138
Annotation	N-Hexanoyl-L-homoserine lactone
Peak:m/z	Relative Intensity
50.07241	0.9
57.03444	1.1
69.83523	5.0
72.99308	3.1
83.05043	1.8
85.02963	100.0
86.03305	2.3
103.21442	1.1
107.03795	2.9
111.04507	1.1
127.93165	2.2
128.10760	5.2
142.12419	9.2
154.12378	8.3
167.99399	18.7
168.10324	1.7
170.11894	10.9
183.01720	17.9
191.82948	1.1
198.04109	5.1
198.09520	2.9
198.11371	84.9
199.09758	5.1
199.11682	3.3
199.17110	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	198.9449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49551	0.6
57.02196	0.6
70.48779	1.5
70.49167	1.4
82.53798	0.6
91.33832	0.6
118.55592	0.7
125.87289	0.9
127.93163	100.0
129.92375	5.3
139.93179	1.8
145.54167	0.6
154.95508	65.7
155.87181	3.3
155.95715	1.2
162.83926	12.5
163.83960	2.1
164.83623	12.9
198.94487	11.4
199.80518	8.6
199.98759	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	199.0978
Annotation	Stagonolide C
Peak:m/z	Relative Intensity
51.00595	0.9
52.97325	1.0
57.03453	21.1
57.44690	0.8
59.01371	2.3
65.03944	1.1
69.03463	1.5
71.14983	1.3
72.99313	32.2
79.05544	1.3
83.05035	3.5
84.02165	1.0
91.05534	1.9
93.03480	1.5
93.07120	6.9
95.05025	2.8
97.06608	2.0
106.04252	4.0
107.08686	3.8
108.83462	0.9
109.06603	13.7
111.00912	1.7
117.07069	4.6
119.05025	4.3
119.08675	20.7
127.93150	8.3
133.06593	3.1
135.08179	39.0
137.06065	1.9
137.09752	3.9
145.06604	1.1
153.09245	6.0
154.95506	3.6
155.10794	2.7
163.07669	22.3
167.99338	1.0
181.08742	14.7
184.02126	2.3
197.08253	1.1
199.07799	3.1
199.09772	100.0
199.17029	3.7
200.01128	1.3
200.10135	2.7
215.44926	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28448	1.3
57.03452	12.2
59.01371	2.9
63.09657	1.0
65.84004	0.9
65.91392	1.2
70.70490	2.8
72.99311	3.7
73.02946	2.5
81.03441	1.2
81.91507	1.1
83.05019	8.7
84.83809	1.0
85.98596	1.1
94.51674	1.0
109.06594	1.6
125.06114	1.1
125.09763	1.4
127.93142	5.9
135.08188	3.0
137.09737	64.9
138.10101	1.7
153.09248	2.1
154.95499	3.4
155.10806	18.2
171.10243	3.5
181.08751	15.2
193.16684	1.1
199.09784	100.0
199.17033	1.5
200.10103	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	199.0979
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
53.70150	0.9
57.03440	2.8
59.01386	8.8
68.99269	1.0
68.99786	1.7
69.03460	2.2
69.65749	6.1
70.37675	1.1
71.01402	2.0
71.05028	1.3
81.03468	3.2
82.55280	1.1
83.05033	21.6
95.05048	1.7
99.00883	2.8
109.06606	4.3
111.00883	1.6
118.55249	1.4
124.91726	1.2
127.93161	24.6
129.92366	1.5
135.08180	3.0
137.09743	36.8
138.10040	1.5
154.95528	16.0
155.10791	100.0
156.11128	4.5
167.07184	2.5
168.99681	1.7
171.10120	1.6
181.08722	12.3
184.02129	3.3
198.91624	1.2
198.94504	2.6
199.09778	65.7
199.13399	41.5
199.16942	2.9
200.01097	2.7
200.10127	3.1
200.13831	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1341
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
52.32531	0.5
59.01381	1.1
61.29451	0.6
68.27333	0.5
69.04433	6.3
75.11012	0.5
99.00896	0.9
99.08173	0.8
127.93159	9.1
139.27585	0.5
154.95515	6.0
155.10828	0.6
162.83900	1.1
163.11292	1.5
164.83696	0.9
167.99283	0.6
169.12343	7.4
179.32658	0.6
181.08867	0.7
181.12366	24.2
182.12692	1.4
197.11877	1.9
199.13409	100.0
199.80467	0.8
200.13759	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	200.0931
Annotation	L-dihydroanticapsin
Peak:m/z	Relative Intensity
55.01871	1.9
56.63994	0.5
57.03454	3.1
59.01384	14.0
61.42475	0.5
69.76292	2.7
72.04554	10.5
83.01398	1.6
110.09749	0.7
126.09254	5.7
128.10834	100.0
129.10341	1.1
129.11185	2.9
154.08760	31.8
155.09050	0.9
156.10315	33.6
157.10643	0.7
158.30438	0.5
162.83932	9.7
164.83627	7.8
199.80528	4.1
200.09296	16.9
201.02534	1.0
201.07700	0.7
215.71062	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01717	0.8
60.93245	0.3
65.44020	0.3
67.01885	0.3
70.72467	0.4
70.72803	0.7
72.09845	0.3
97.97473	0.3
112.80057	0.3
113.04664	0.4
115.02552	0.6
154.41078	0.3
157.03564	5.2
158.03810	0.3
159.01501	2.1
201.02570	10.7
202.02652	0.6
222.80544	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44403	0.4
56.92412	0.4
59.01384	100.0
60.01739	0.7
69.29704	3.1
71.01399	0.8
98.22444	0.8
100.04066	0.9
101.00954	0.4
117.00486	1.4
157.03581	5.5
158.03802	0.4
158.99713	0.5
159.01555	2.1
172.97728	0.7
175.02881	1.2
183.69585	0.4
200.97336	0.5
201.00845	0.7
201.02560	9.3
201.04251	0.7
201.92421	0.4
202.02766	0.6
221.71158	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0257
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69904	0.4
53.95280	0.3
58.51400	0.3
59.01385	100.0
59.64628	0.4
60.00714	0.3
60.01734	0.3
69.40582	1.9
71.01380	0.8
98.22488	0.7
101.00989	0.7
103.90289	0.4
117.00491	1.2
141.00372	0.4
142.05275	0.4
157.03563	5.4
158.99825	0.5
159.01544	1.8
194.56601	0.4
201.02560	10.7
202.02733	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33711	0.5
52.99532	0.5
59.01385	100.0
60.01733	1.2
64.92139	0.5
66.54226	0.5
69.52821	2.1
69.53225	1.6
69.79868	0.5
78.36084	0.6
79.05562	0.8
83.05035	0.9
95.05039	0.7
97.06600	8.6
97.07140	0.8
98.21828	0.8
101.73624	0.6
103.84509	0.5
115.05650	0.7
130.06656	1.4
135.88448	0.7
139.07655	4.7
141.05624	2.5
149.71338	0.5
157.08722	22.2
158.06146	6.4
158.09090	1.4
174.05682	1.3
201.02550	1.0
201.07675	5.8
201.09616	0.8
201.11279	3.6
202.05075	0.9
218.93439	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.077
Annotation	7-Hydroxy-10-deoxyeucommiol
Peak:m/z	Relative Intensity
57.03455	0.7
59.01383	100.0
60.01744	0.8
69.50672	5.1
73.02946	1.1
79.14138	0.7
83.81399	0.7
95.05025	0.9
97.06588	6.2
115.05576	1.6
116.05088	1.3
130.06679	2.5
139.07704	2.9
141.05635	3.3
146.06151	1.1
157.08714	18.6
157.09946	1.0
158.06126	19.8
174.05707	2.4
183.06679	1.4
201.02623	1.8
201.07654	6.3
201.11406	3.4
202.05217	1.8
222.84457	0.7
223.50426	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.7
59.01383	100.0
67.01884	1.4
69.25203	3.0
69.25628	1.6
71.05034	0.8
73.02956	2.0
79.05545	0.6
85.02956	5.2
85.03428	0.6
87.04523	1.2
95.05011	0.8
97.06599	6.8
101.52330	0.5
111.08175	1.1
115.05571	1.5
116.05109	1.0
121.06624	1.2
129.01979	1.9
130.06671	2.7
139.07675	5.5
141.05620	2.6
144.04602	1.6
146.06174	1.4
154.48169	0.5
157.08713	22.1
158.06126	22.5
159.01558	1.1
174.05620	3.8
182.57735	0.6
183.06723	1.2
201.02626	1.9
201.05959	1.2
201.07690	7.8
201.09563	0.9
201.11377	4.4
202.05223	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	201.1135
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
50.26363	0.8
52.80290	0.7
53.04566	0.7
57.03448	6.8
59.01384	15.4
69.03447	0.8
69.29258	0.6
69.89722	2.4
71.05024	0.8
83.05062	0.8
85.75710	0.7
98.22498	0.9
99.92586	3.1
111.08163	5.4
137.09702	3.5
137.63414	0.7
139.11301	100.0
140.11650	5.0
141.93230	3.3
145.02838	1.2
157.12346	2.8
167.03171	0.7
173.05933	0.8
174.03197	2.3
183.10272	43.4
184.10614	1.7
201.11331	95.2
202.11707	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	201.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.4
57.03440	7.1
58.25797	1.3
59.01382	31.3
60.78564	1.1
61.96046	1.2
69.03448	1.2
71.01395	7.9
71.05013	5.2
71.31598	1.6
72.99305	2.9
73.02965	1.8
75.00896	1.6
80.02665	2.9
83.05061	1.5
84.02174	18.7
85.02981	3.7
97.06568	2.4
99.08163	14.2
99.92607	4.8
108.02232	1.3
111.08163	1.5
113.09753	2.5
114.72190	1.4
119.08676	3.2
125.09740	2.1
127.11290	12.9
129.09218	2.1
135.08144	1.3
137.09734	36.1
139.10313	1.0
139.11293	23.5
141.09190	2.6
141.93138	6.1
155.10791	59.1
156.11143	3.4
157.12350	9.4
159.11844	2.8
173.06020	2.6
174.03152	2.6
180.25606	1.4
183.10295	18.7
185.09685	2.3
186.10587	1.3
201.05582	2.9
201.11314	100.0
201.12907	9.7
202.02698	2.6
202.11656	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	202.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85178	1.0
55.01870	2.0
57.03444	2.8
59.01091	1.6
59.01386	30.5
60.01724	2.3
60.99300	1.4
69.03459	26.1
69.43223	5.7
71.01389	45.3
72.04536	1.4
72.99313	6.9
74.02451	2.5
75.00860	2.2
79.01892	3.3
81.03474	1.0
82.02963	2.3
83.05045	1.3
84.04558	4.2
85.02955	3.2
85.96437	1.1
87.00901	5.5
95.01397	3.5
97.02962	31.9
97.06593	1.8
98.02481	2.7
98.22492	1.9
99.00890	2.0
100.04056	100.0
101.02434	2.2
101.04341	1.6
102.05666	1.4
103.92044	1.9
111.00884	2.2
112.04065	6.3
112.07713	2.2
113.02461	4.2
115.00391	2.8
115.07652	2.2
118.05122	4.6
123.00901	1.3
125.02458	2.2
128.03471	1.3
130.05109	19.6
140.07236	2.0
141.01952	8.3
141.05621	5.7
156.06644	1.4
158.08252	6.9
159.06616	1.7
161.08220	1.8
164.83577	1.8
184.06143	2.3
185.04590	4.3
188.65726	1.0
202.02771	2.0
202.07236	51.9
203.02020	24.0
203.05615	3.9
203.07491	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	203.0198
Annotation	Oxaloglutarate
Peak:m/z	Relative Intensity
57.03436	4.3
58.02981	5.2
59.01381	31.1
68.99131	22.5
68.99523	6.6
69.03091	4.1
69.03460	81.1
70.06459	1.8
70.97962	1.9
71.01385	52.6
72.04544	2.2
72.99297	9.7
75.00871	8.0
79.01889	10.9
80.73734	2.5
83.01402	3.4
83.05019	4.0
85.02959	13.2
85.89952	2.1
87.00868	17.3
95.01360	10.9
97.02958	97.3
97.06592	6.1
98.02449	2.9
98.03309	3.0
98.21781	3.8
100.04052	4.3
109.29285	2.0
111.00890	6.4
113.02470	4.9
113.38464	2.1
115.00359	9.6
117.05551	2.6
123.00897	4.1
129.01939	4.4
141.01953	24.0
141.05585	9.7
142.96640	5.9
158.08229	7.6
159.03082	4.3
160.97685	5.4
174.99277	6.0
184.97679	5.6
185.00838	2.0
185.04552	4.7
196.36861	2.3
202.98761	9.0
203.01979	100.0
203.05609	10.6
203.07393	4.4
204.08789	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	203.0829
Annotation	Tryptophan
Peak:m/z	Relative Intensity
59.01384	0.5
70.67979	1.0
70.68320	0.9
72.00919	25.2
74.02483	31.5
80.80494	0.4
100.91225	0.5
111.68917	0.5
116.05081	100.0
117.05419	2.9
129.05908	0.6
130.06648	3.0
132.08228	0.9
142.06642	29.5
143.07043	0.9
157.07700	0.9
159.09305	17.6
186.05630	4.4
203.08293	52.1
204.08646	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	203.0828
Annotation	Tryptophan
Peak:m/z	Relative Intensity
52.38068	0.7
59.01374	3.1
60.03286	1.0
61.91485	0.8
70.34496	2.4
72.00517	1.3
72.00914	23.8
74.02476	32.4
74.65269	0.8
74.97166	0.8
77.49644	0.8
96.59403	0.9
106.94070	0.8
116.05070	100.0
117.05401	3.1
123.04605	0.8
130.06676	1.4
132.08203	1.2
142.05475	1.3
142.06622	26.0
143.07077	1.3
159.07974	1.1
159.09285	13.0
160.97586	0.7
161.04816	1.0
174.99210	1.4
186.05598	3.6
203.08267	48.8
204.08572	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	203.129
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
54.39370	0.3
57.03450	3.7
59.01379	1.2
66.92091	0.4
69.03474	0.3
69.26629	0.3
69.47610	1.8
71.05025	0.4
72.99322	3.5
83.05019	0.4
95.59371	0.3
98.22433	0.4
99.08186	0.3
111.08178	2.1
113.09736	5.6
116.05080	3.7
123.08208	1.7
125.09727	0.3
127.11311	5.8
128.05087	2.0
128.11638	0.4
130.06630	3.5
132.04550	0.4
137.09755	1.3
138.72171	0.3
139.11305	2.3
141.09253	2.7
142.06635	3.8
144.04552	0.4
155.10794	11.3
156.11139	0.6
157.12350	54.5
158.06123	10.4
158.12692	2.1
159.06517	0.5
172.04201	0.5
174.99203	0.7
185.11844	1.0
186.05592	3.4
201.11339	1.1
203.12888	100.0
204.06660	9.1
204.13208	4.1
215.43079	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65467	0.4
57.03444	0.5
59.01383	1.8
59.03196	0.4
64.79092	0.4
72.99316	0.7
85.06612	0.7
88.35259	0.4
97.06590	0.9
98.22525	1.2
99.08176	0.6
125.09752	1.1
127.11311	15.2
132.98199	0.5
137.09723	0.5
139.11311	0.6
155.10809	9.6
157.12354	59.7
158.12692	2.4
160.97701	0.6
174.03157	0.6
174.99236	1.4
175.04048	0.4
185.11873	1.1
201.11339	1.1
202.98657	0.6
203.12889	100.0
204.13229	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	204.0667
Annotation	Indolelactic acid
Peak:m/z	Relative Intensity
52.86614	0.9
58.67826	0.9
59.01381	1.0
59.38004	0.9
69.17468	2.3
69.17874	5.4
72.99312	31.2
75.00859	1.1
90.70090	0.9
115.57915	0.9
116.05073	41.0
128.04123	1.3
128.05080	28.1
130.06631	31.1
131.07016	1.2
132.04559	3.2
142.06636	37.6
143.07005	2.0
144.04553	4.7
146.06134	1.2
156.04559	1.4
158.06125	100.0
158.12698	2.7
159.06442	3.8
161.09727	3.0
172.03981	3.8
186.05614	32.9
187.05977	2.1
204.06664	98.6
204.13165	5.2
205.06940	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	205.0872
Annotation	Bruguierol C
Peak:m/z	Relative Intensity
52.76412	1.2
53.43798	1.1
61.98804	2.3
65.71819	1.1
73.51569	1.2
73.58989	1.0
75.01289	1.0
78.91917	1.1
121.03000	1.3
122.03767	2.4
123.04537	11.3
123.35143	1.2
133.02954	3.0
133.06566	1.2
145.02983	1.5
147.04514	7.3
148.05322	51.4
149.05678	1.6
150.03246	8.1
154.02699	1.6
159.04514	3.9
161.06090	74.5
162.06462	3.3
172.26413	1.4
175.04045	1.5
175.07639	2.4
176.04826	8.6
176.07047	2.3
176.08440	24.7
177.09224	100.0
178.09547	5.2
205.08705	85.4
205.11975	1.8
205.12306	2.4
205.15941	2.3
206.09053	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	205.0873
Annotation	Bruguierol C
Peak:m/z	Relative Intensity
53.29497	1.6
61.98821	1.4
66.08452	1.4
71.30295	2.8
71.30667	2.0
88.46619	1.8
92.87952	1.5
109.02909	2.0
122.03757	4.3
123.04529	12.2
133.02977	4.1
133.06686	1.7
134.31746	1.4
144.55112	1.7
146.03853	1.9
147.04536	7.1
148.05327	50.9
150.03262	11.0
159.04474	2.9
161.06097	76.6
162.06447	3.0
162.89514	1.9
164.07243	1.9
172.05284	1.7
175.04097	2.6
175.07642	3.8
176.04790	9.8
176.08435	23.2
177.09230	100.0
178.09615	5.3
187.07634	2.7
205.08717	79.8
205.16010	4.6
206.09077	3.5
220.98795	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	206.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48542	0.7
55.47355	0.7
58.02981	36.7
69.24160	5.5
69.24557	1.6
70.02984	12.3
72.00902	6.6
80.56108	0.8
84.67488	0.8
90.69113	0.7
91.05541	13.1
93.32417	1.0
96.65479	0.7
103.05563	1.1
135.04544	1.3
147.04538	38.0
148.04839	1.7
162.09293	1.2
164.07175	100.0
165.07506	3.1
206.08240	31.4
221.10886	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0512
Annotation	Methylglucopyranosiduronic acid
Peak:m/z	Relative Intensity
50.04380	1.9
59.00834	2.1
59.01385	20.8
69.03471	2.7
71.01382	3.8
71.05025	4.8
71.27318	2.3
72.99305	14.2
75.00867	7.9
81.03474	16.3
83.05031	4.8
84.02203	2.4
85.02978	6.8
87.83991	2.2
90.98622	2.5
99.04527	39.3
99.05114	3.3
109.02972	2.3
109.49330	2.1
113.02462	38.1
120.99692	2.7
127.04015	4.8
129.01962	3.6
131.03510	12.2
145.05090	100.0
189.04044	15.4
207.05162	19.4
208.05730	2.0
218.83157	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	207.1028
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
57.03425	1.0
59.01381	22.8
69.07390	3.4
69.07806	6.6
80.02675	6.2
81.03463	10.3
83.05032	8.6
85.02966	1.6
90.66643	1.0
93.03461	3.2
95.05030	1.4
97.02950	4.4
98.21799	2.2
106.04254	3.6
107.05033	4.1
109.06597	84.6
110.03725	1.4
110.06932	2.4
111.22693	0.9
112.59169	1.0
121.06596	6.3
133.06599	2.1
135.08162	12.6
145.10242	2.0
147.08231	1.1
161.09714	13.0
163.00374	0.9
163.11292	100.0
164.11624	4.5
189.09187	3.8
199.66032	1.0
207.10266	68.7
208.10587	2.9
210.95876	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1029
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
57.03460	1.9
59.01380	46.7
65.03969	3.5
69.03461	77.4
69.22585	17.6
71.01373	2.8
80.02686	2.5
81.03452	6.6
81.71848	2.3
83.05034	7.4
89.10571	2.4
91.05581	3.2
93.03471	3.3
95.05034	23.6
97.06582	4.5
106.04256	3.3
107.05050	6.6
107.08683	12.0
108.05856	3.5
109.06599	38.7
110.03718	3.7
119.05012	5.5
121.06580	11.4
134.07341	5.3
135.08170	16.1
136.05222	2.5
138.03271	2.2
143.08647	3.7
145.10240	29.0
161.09764	7.2
163.07709	3.9
163.11310	100.0
175.07703	5.8
179.10782	5.0
189.09218	4.9
207.10327	39.8
207.14005	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	207.1029
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
50.47633	0.9
50.68301	0.9
59.01387	31.0
59.13810	0.9
67.05534	0.8
69.56366	0.9
69.61000	4.4
72.78311	0.9
80.02692	6.5
81.03463	10.8
83.05040	7.6
85.02927	1.2
93.03471	2.4
95.05032	2.5
95.34377	0.8
97.02969	3.2
106.04253	2.6
107.05019	4.9
109.06604	100.0
110.06923	3.2
116.20077	0.9
119.23118	0.8
121.06593	6.1
123.78323	0.9
129.27255	0.8
132.34470	0.8
133.06615	1.6
135.08186	16.1
136.05315	1.3
142.02722	1.2
145.10245	1.8
161.09740	12.7
163.11304	78.6
164.11646	3.6
189.09215	2.5
207.10269	48.2
208.06161	3.1
208.10634	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	209.0457
Annotation	Vanilpyruvic acid
Peak:m/z	Relative Intensity
59.01374	0.5
59.29284	0.3
66.01096	0.5
68.93296	0.4
69.47251	2.2
72.99323	2.8
77.03907	0.4
85.97820	0.3
89.81064	0.3
91.01910	1.5
95.01438	0.5
95.05027	0.5
98.22643	0.4
108.31835	0.4
116.34489	0.3
119.05054	0.7
120.02186	1.9
121.02965	100.0
121.18567	0.3
122.03278	2.1
135.04558	0.5
136.01677	1.3
139.58830	0.3
140.09651	0.4
147.04469	2.5
150.03246	0.4
181.05077	0.6
188.40985	0.4
191.03520	5.6
191.79437	0.4
209.04568	11.4
209.08105	0.8
210.04988	0.3
215.80345	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08546	4.7
56.06090	3.7
57.03452	6.9
59.01386	100.0
69.03474	11.3
70.85171	3.9
71.01411	4.5
83.05051	5.0
109.77501	4.1
119.08673	28.1
121.02979	55.9
121.03790	6.4
135.11833	38.6
147.11813	39.2
153.09296	4.2
165.12874	13.4
179.10823	31.8
181.12329	11.4
191.10750	26.8
209.04501	6.6
209.11853	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1184
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
50.44271	1.1
57.03447	4.3
59.01383	13.9
69.03461	35.9
69.63002	1.7
69.63406	6.0
71.05005	3.4
74.93098	1.2
83.05030	2.3
93.03471	2.0
95.05041	2.6
97.06595	1.6
108.05814	2.5
109.06607	2.8
111.08157	4.9
121.02972	11.8
121.10221	1.8
123.28570	1.6
127.07669	3.9
127.90444	1.3
135.08157	2.6
137.43683	1.3
139.07645	1.9
147.11864	2.0
152.25407	1.1
153.09219	9.6
157.95053	1.4
163.11342	3.0
165.09187	3.8
165.12856	28.5
165.14264	1.5
173.09811	2.0
181.12349	29.7
191.10786	32.1
209.11845	100.0
210.12186	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	209.1184
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
55.01883	4.0
55.13769	0.5
57.03460	1.5
58.24456	0.5
60.50925	0.5
69.38412	4.0
71.01379	0.6
71.05017	0.7
80.02674	1.3
81.03455	5.3
83.01395	31.8
83.05029	3.9
84.02164	1.4
95.05040	1.6
97.06599	5.3
102.35565	0.6
109.06614	0.8
121.02974	7.0
123.08157	2.0
125.09733	25.4
135.08167	2.2
147.11812	0.7
163.11307	11.8
164.11588	0.6
165.12837	3.5
181.12331	1.5
191.10808	8.4
209.11848	100.0
210.12183	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	209.1185
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
50.08878	1.4
50.32402	1.2
57.03456	7.9
59.01369	4.0
69.03454	2.2
69.30776	9.8
69.42953	1.2
71.01386	19.6
73.02945	1.8
80.02664	1.8
81.03442	3.2
83.01385	3.0
83.05035	5.2
84.02181	1.7
85.87642	1.3
91.32250	1.4
93.03469	2.6
95.05059	2.4
97.06612	6.2
99.04549	1.6
109.06611	1.7
111.08145	4.4
121.02978	38.4
123.08186	1.6
123.75690	1.4
124.04015	1.4
125.09741	8.8
134.03757	1.9
135.08179	1.6
145.10245	3.2
147.11856	3.3
151.11295	32.1
153.09248	1.7
153.12892	1.6
161.09709	2.2
163.11304	8.8
165.12871	24.7
167.10759	1.9
173.09764	3.7
179.10782	5.3
181.12354	33.4
182.12621	1.9
191.10774	20.8
209.04509	2.7
209.11844	100.0
210.12209	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	209.1184
Annotation	Pulchellon
Peak:m/z	Relative Intensity
57.03436	6.0
59.01363	2.0
68.48908	1.4
69.03452	1.9
69.89523	4.1
71.01387	22.4
71.04987	1.4
80.02673	2.9
81.03458	3.1
83.01383	4.1
83.05026	4.9
84.02202	1.5
84.14873	1.3
95.05038	3.1
97.06597	6.7
109.06637	2.0
111.08131	1.6
112.01667	1.8
116.97603	1.4
121.02974	24.5
123.08156	3.0
125.02453	1.7
125.09716	8.4
135.08116	2.0
145.10280	2.5
147.11815	2.8
151.11299	33.0
153.12842	2.5
163.11327	9.1
165.12860	20.1
166.13174	2.1
167.10927	1.3
173.09756	3.4
174.73749	1.4
179.10785	6.8
181.10793	2.6
181.12358	40.9
191.10796	21.7
209.04433	1.9
209.11842	100.0
210.12201	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	209.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00039	0.9
59.01132	0.6
59.01378	5.1
64.57256	0.8
69.03436	0.8
69.24963	5.4
72.32239	0.8
80.02672	2.3
81.03453	2.4
83.01363	1.0
83.05032	9.0
95.05026	1.8
97.06672	0.9
98.22484	1.6
103.20856	0.7
109.06614	1.0
119.08703	1.0
121.02962	15.2
125.06127	1.1
126.35584	0.8
127.07667	1.3
135.08237	1.1
135.11790	3.1
135.29675	0.7
147.11864	0.9
150.60364	0.7
152.70020	0.6
163.11311	7.8
165.12833	5.2
179.10876	1.0
181.12323	2.3
191.10805	2.3
197.18454	0.9
209.04541	2.2
209.11844	100.0
210.12148	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	210.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	1.1
60.81892	0.6
69.63414	0.5
70.26633	1.1
70.27036	1.2
73.02946	0.8
82.02988	0.7
83.05029	0.6
85.06596	1.9
94.03007	3.9
95.01392	0.6
96.04581	0.8
96.96047	1.1
104.05109	0.6
108.02194	2.4
109.01708	89.2
110.02498	49.8
110.03280	1.2
111.02814	0.7
121.06539	0.7
122.06147	1.1
123.00911	0.8
123.03262	1.5
123.04475	0.7
124.04057	100.0
125.04403	1.9
129.05611	7.7
134.06125	1.7
136.04034	0.6
139.87352	0.5
141.00697	2.4
152.01152	5.0
155.02267	0.6
166.08704	0.8
178.05060	2.6
195.01857	0.6
210.07726	9.4
211.02505	1.2
211.13376	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1138
Annotation	Mescaline
Peak:m/z	Relative Intensity
69.17539	6.9
69.17951	19.2
80.05061	2.6
98.21724	5.5
110.06118	4.2
122.03300	5.8
124.03999	5.8
152.96063	2.8
159.63416	2.8
161.84511	2.7
210.11369	100.0
211.11644	4.5
230.73894	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	211.025
Annotation	5-Carboxyvanillic acid
Peak:m/z	Relative Intensity
51.55465	0.4
55.79995	0.5
56.48939	0.5
59.01366	0.8
69.03409	0.5
69.18037	2.4
69.18463	2.0
80.02675	1.8
88.10357	0.4
90.47027	0.4
93.03480	0.7
95.01399	2.3
96.04553	0.5
96.96015	2.0
98.02478	6.7
98.22512	1.1
100.96432	0.5
108.02181	62.6
109.02493	1.6
110.42358	0.6
116.78346	0.5
121.02966	2.0
123.00896	1.9
123.04534	15.4
126.01975	7.4
134.03735	0.9
139.00385	0.6
152.01166	100.0
153.01501	2.9
153.05533	0.6
165.05583	0.8
166.91080	0.8
166.99876	0.5
167.02138	0.8
167.03516	13.0
193.04977	0.7
196.00143	7.9
196.03731	0.6
210.06920	0.6
211.02496	43.0
211.06071	1.9
211.07741	1.9
211.13345	1.0
212.02946	1.0
212.05670	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	211.059
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.3
61.98835	2.0
64.23161	0.8
66.98298	0.7
67.28930	0.7
69.03453	1.1
69.44703	5.1
83.05042	2.9
85.06596	27.9
90.45998	0.7
95.01402	3.1
96.04581	1.8
96.96022	0.8
98.02496	5.9
98.21854	1.7
99.04492	1.0
99.34921	0.8
108.02186	33.7
111.04534	13.3
117.56271	0.9
123.00922	2.2
123.04545	6.5
123.08188	1.9
124.04136	1.0
126.01955	4.5
129.05597	100.0
130.05936	2.9
134.03766	0.9
140.73802	0.8
140.93806	0.8
141.03981	0.8
145.25914	0.8
148.07544	0.8
151.03867	1.0
151.07654	3.4
152.01167	48.2
153.01521	1.2
153.05606	1.2
164.98260	0.8
166.91034	2.1
167.03496	5.1
167.07262	0.8
169.03589	1.0
183.05014	1.1
185.06691	4.4
186.78496	0.8
196.00186	3.0
211.02510	22.7
211.04541	2.0
211.06139	1.9
211.07823	1.6
211.09636	1.7
211.13480	2.3
212.05647	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	211.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	13.8
60.50084	0.7
69.18757	6.0
71.01366	1.9
81.02940	0.9
81.03439	1.9
83.05037	5.9
95.01392	1.1
109.06627	1.1
117.74857	0.9
135.11838	0.9
149.13354	3.3
149.87857	0.8
163.11314	2.2
165.12886	1.7
167.14354	1.0
175.11256	1.9
181.12355	27.0
182.12782	1.2
183.13922	2.4
193.12363	27.4
193.14145	1.5
194.12717	2.1
211.13419	100.0
212.13797	5.2
230.04781	0.9
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	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
55.02519	0.5
59.01367	0.6
61.40977	0.4
64.72375	0.5
69.03452	1.3
70.16481	0.6
84.54334	0.5
95.01394	0.7
97.06599	0.5
128.23750	0.5
141.86835	1.1
153.05687	0.6
155.10759	0.7
167.10760	1.1
167.14461	2.4
183.13910	16.5
184.14156	1.1
193.12343	4.0
211.13412	100.0
212.13776	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	211.1342
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
51.78717	0.8
51.96474	0.9
70.48818	2.3
85.00475	1.5
93.95705	0.9
97.06590	4.6
109.06590	2.0
111.08150	2.1
140.93333	0.9
141.86807	2.3
154.06393	5.1
159.87872	1.4
167.14362	5.5
170.42409	1.0
183.13866	2.5
195.10283	2.4
200.17896	0.9
211.13411	100.0
212.13742	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	211.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.9
65.00325	2.0
66.24277	0.6
69.03465	0.8
71.01383	1.0
71.36952	0.6
83.05027	2.4
98.22524	1.5
99.75508	0.6
107.01424	1.2
121.10227	1.2
123.00900	0.6
149.13368	2.6
151.00407	5.2
155.10802	0.8
163.11261	0.8
164.98343	0.8
165.12773	0.6
167.10809	1.9
167.14456	1.2
175.11211	1.5
181.12347	17.5
183.13931	5.9
191.05646	0.6
193.12341	26.7
194.12698	1.0
204.07764	0.5
211.13406	100.0
212.13741	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	211.1342
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
51.98223	1.0
53.25752	0.7
56.84553	0.7
59.01371	0.9
60.26453	0.7
67.01876	2.8
71.28978	0.8
71.29339	1.2
83.05022	0.8
85.00475	1.9
87.94906	0.8
113.95967	0.8
121.02930	1.2
125.09768	4.5
141.86852	1.9
153.00858	0.8
167.14453	4.7
183.13942	1.0
211.13417	100.0
212.13715	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	212.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	1.1
61.11009	0.9
61.98831	4.0
70.26707	2.3
70.27065	1.3
82.02968	1.7
83.01378	2.7
84.04558	2.9
96.04563	9.1
96.27481	0.9
98.02488	100.0
99.00896	3.0
122.45380	0.9
126.01987	99.4
127.00367	2.1
127.02319	2.2
129.05626	1.8
130.05931	2.9
135.21434	1.1
153.01479	1.4
155.02242	2.0
168.06656	2.3
184.06178	2.4
186.76968	0.9
194.99382	1.0
212.05670	32.4
212.07625	2.0
213.00490	0.9
213.05931	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0931
Annotation	alpha-Allokainic acid
Peak:m/z	Relative Intensity
51.09588	1.6
54.28661	1.5
57.07022	1.6
57.18659	1.9
59.01374	3.2
60.99309	7.0
69.93491	1.6
74.89476	1.6
80.05061	24.2
86.03539	2.1
94.02998	9.0
96.04574	12.7
98.02486	24.5
110.06124	78.1
112.04055	2.9
116.05077	12.9
118.06631	10.7
126.01965	20.7
126.05625	2.6
135.83556	1.7
138.09236	3.4
168.02994	4.0
168.06673	100.0
168.10333	2.4
169.07050	3.2
177.12965	1.8
212.05644	10.3
212.07693	3.7
212.09560	9.7
213.07779	2.9
234.05138	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	213.0558
Annotation	3-Phenoxybenzoic acid
Peak:m/z	Relative Intensity
51.54186	0.3
51.73067	0.2
51.78481	0.3
59.01390	0.3
61.23566	0.3
66.94602	0.3
93.03462	100.0
93.41840	0.3
94.03786	2.2
98.22565	0.9
126.08074	0.3
169.06589	9.8
169.12228	0.3
170.07008	0.3
171.04460	0.6
185.05894	0.4
186.06850	2.5
191.90799	0.3
197.99170	1.0
213.05568	14.9
213.11227	0.4
213.14923	0.3
214.06096	1.3
228.42261	0.2
229.15320	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.077
Annotation	cantharidic acid
Peak:m/z	Relative Intensity
51.61598	1.3
54.25402	1.3
54.39223	1.4
55.01866	1.8
57.03451	15.1
59.01387	11.6
60.99285	1.5
69.03467	8.2
71.01371	3.8
71.05020	14.7
83.05016	2.2
84.21392	1.2
95.05040	16.7
97.02939	1.9
97.05989	2.3
97.06598	36.7
97.07227	1.9
98.22526	3.0
99.04520	2.6
109.06602	2.9
110.02470	5.4
111.04517	1.5
115.04022	2.6
123.08154	9.6
125.09723	12.2
126.41203	1.3
133.06592	3.3
148.94753	1.2
151.07664	35.2
151.11279	1.9
152.07957	1.7
152.51563	1.3
169.08720	100.0
169.57156	1.2
170.09085	3.9
194.90526	1.2
195.06641	5.2
211.60643	1.5
213.01979	1.5
213.05630	3.1
213.07703	47.0
213.10970	6.7
214.08583	3.9
225.37390	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	213.0771
Annotation	cantharidic acid
Peak:m/z	Relative Intensity
57.03444	2.3
59.01384	77.0
69.03461	2.0
71.29033	2.1
71.29739	1.3
72.04549	1.2
73.02959	2.2
77.44552	1.1
81.03464	4.7
87.00915	1.6
90.10945	1.2
91.05553	4.6
93.03470	2.3
97.02935	1.7
97.06586	2.2
107.05052	2.7
107.08674	11.2
108.09007	1.1
109.06602	100.0
110.06959	2.2
123.05789	1.2
123.08222	1.3
125.02463	1.8
125.09773	1.8
130.08760	22.2
142.12383	2.3
151.07661	16.3
151.11272	2.8
153.05562	7.1
168.10098	1.1
169.08727	6.7
172.64951	1.1
182.04588	1.1
195.06645	2.2
197.99144	2.1
213.07716	23.9
213.11172	5.5
213.18575	1.6
214.10825	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	213.077
Annotation	cantharidic acid
Peak:m/z	Relative Intensity
52.27473	5.3
55.01876	14.3
57.03440	11.5
59.01363	14.6
69.68083	28.5
71.01369	5.9
71.05025	10.9
73.02962	9.3
74.99096	9.8
83.01398	5.6
83.05025	5.6
85.02985	6.1
85.37582	4.9
93.03437	5.0
95.01417	5.4
95.05071	9.2
95.80808	5.0
97.02908	6.9
97.06585	8.1
101.02451	46.9
107.01376	6.8
107.08643	25.8
109.06593	10.3
111.04512	18.1
121.06623	6.4
123.00902	5.2
123.08198	11.2
125.09745	46.4
141.45372	5.4
151.07622	29.0
169.08685	38.0
182.24652	6.0
194.99355	35.4
197.99152	4.9
213.00269	13.2
213.05624	8.0
213.07703	100.0
213.11151	10.6
213.14771	5.2
213.18634	7.4
231.54189	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	213.1135
Annotation	(-)-Pestalotin
Peak:m/z	Relative Intensity
55.01871	0.5
56.26614	0.7
57.03216	0.6
57.03452	4.7
57.19038	0.7
59.01374	2.1
69.03452	1.6
69.35359	4.5
83.05042	1.4
97.02992	0.8
111.08166	12.0
120.15629	0.6
123.08172	46.2
124.08488	1.7
125.09721	6.0
137.09738	8.6
139.11301	68.8
140.11610	2.0
149.09724	0.6
151.11296	13.2
167.10768	2.0
169.12334	6.6
171.04498	0.6
185.11880	1.2
197.99217	2.4
213.11328	100.0
214.11676	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	213.1134
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
69.03037	3.2
69.03466	2.3
88.07838	0.5
93.03473	0.8
97.06599	0.6
98.21783	0.9
151.11299	11.4
152.11687	0.5
169.12354	100.0
170.12701	4.3
171.04520	0.8
186.06863	2.3
195.10287	1.0
197.99194	1.1
213.01517	0.8
213.09344	0.7
213.11301	13.0
213.13168	0.9
213.14673	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1498
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
54.62052	0.6
54.92452	0.6
70.27894	1.6
70.38895	0.5
80.78083	0.5
93.03460	3.3
95.80417	0.6
95.82485	0.7
130.41702	0.6
169.12347	1.1
171.04463	2.9
183.13910	31.1
184.14258	1.3
185.06017	0.8
186.06856	7.6
195.13905	24.6
196.14221	0.9
197.99109	3.2
211.13429	0.8
213.01588	0.9
213.05696	1.2
213.14972	100.0
214.06337	3.1
214.15332	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	214.1086
Annotation	(+)-Monascumic acid
Peak:m/z	Relative Intensity
55.01873	1.0
57.03455	2.2
70.86212	1.8
72.04552	16.7
82.02971	0.9
83.01396	2.2
102.03452	0.7
105.33727	0.9
111.23328	0.8
130.08707	1.3
140.10806	5.0
142.12383	100.0
143.12729	2.4
168.10315	37.3
169.10722	1.1
170.11876	40.6
171.12219	1.1
214.10852	25.8
215.00870	2.1
215.14136	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0926
Annotation	Decarestrictin N
Peak:m/z	Relative Intensity
53.08338	1.0
54.89285	1.1
55.01870	1.7
57.03443	2.7
59.01380	12.1
69.51562	6.0
71.01365	1.3
71.05022	8.7
73.02943	4.4
83.05028	2.3
85.25621	1.0
85.92009	1.0
95.05046	4.4
97.02946	3.9
97.06599	19.1
98.22466	2.3
99.00889	78.9
99.08176	1.5
110.03741	2.7
117.07116	7.2
118.01327	1.0
123.04510	7.6
125.09699	2.9
127.11327	7.6
135.08163	15.3
142.02727	4.4
142.71669	1.4
143.10774	1.8
144.00940	7.0
153.09233	67.8
154.09567	2.4
169.16002	1.1
171.02008	1.6
171.10286	17.5
171.97113	1.3
179.07150	10.9
197.08208	69.8
198.08539	2.3
214.97914	1.5
215.01007	54.4
215.09254	100.0
215.12811	5.4
216.01326	2.7
216.09610	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	216.1243
Annotation	O-propanoyl-carnitine
Peak:m/z	Relative Intensity
55.01890	0.7
57.03448	4.0
59.01386	27.9
69.51678	0.5
72.04555	8.7
72.99296	1.3
75.30402	0.6
83.01379	1.3
85.02959	12.2
88.21975	0.6
98.22580	1.1
101.02446	3.0
121.39081	0.5
129.01965	9.3
131.07162	1.5
132.98228	0.6
135.72556	0.6
136.37926	0.6
137.51898	0.5
137.66470	0.6
140.10828	2.4
142.12390	87.2
143.12698	2.8
154.12384	2.8
168.10318	16.5
170.11884	100.0
171.12219	2.4
171.97049	1.4
174.99255	7.7
198.11372	11.3
199.11673	0.8
216.01352	1.9
216.12430	85.0
217.00348	5.6
217.12785	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	217.0031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01715	0.5
62.97723	0.5
70.74008	1.2
75.20482	0.5
76.22946	0.5
82.22446	0.5
83.32050	0.5
90.97153	2.1
105.95774	0.5
132.98201	2.3
174.99248	29.0
214.41040	0.6
216.98161	1.1
217.00288	22.7
218.00513	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0031
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73273	0.5
59.01382	100.0
69.64024	2.4
73.38960	0.6
88.04057	1.2
90.97173	2.0
91.83634	0.6
98.21759	0.7
118.96635	1.6
124.02942	0.5
132.98244	3.0
144.12663	0.6
174.99248	27.8
217.00302	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	217.1083
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
57.19459	0.8
59.01386	100.0
60.01702	0.7
61.63931	0.8
69.38407	1.8
69.38821	3.4
73.02993	0.9
73.29361	0.9
74.59612	0.8
74.63457	0.9
76.42493	0.8
85.06592	1.4
88.03300	0.8
97.06596	13.0
99.39169	0.8
105.95815	0.8
113.09760	1.2
131.07149	9.3
132.50276	0.9
132.98236	2.0
139.07657	15.9
155.10814	14.4
157.08719	90.5
158.09044	2.7
174.99268	24.1
175.09659	0.9
175.11226	0.9
189.05656	1.2
199.09810	1.1
217.00302	15.4
217.05009	2.0
217.09036	0.9
217.10770	24.6
217.12271	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	218.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.5
64.42451	0.6
69.52953	3.0
71.01386	11.6
71.05025	19.1
72.00925	1.0
72.05373	0.6
88.04049	100.0
99.04527	6.9
116.07223	3.0
129.05580	1.6
146.08244	47.2
147.08580	0.8
174.02995	0.5
174.99298	0.6
218.00658	0.6
218.10345	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	218.1035
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
56.28743	0.6
59.01389	3.6
60.01719	1.2
69.98912	2.2
71.01392	14.6
71.05026	22.2
71.09543	0.6
72.00898	1.5
80.72105	0.6
86.08038	0.6
88.04047	100.0
89.04393	1.3
98.06137	0.6
98.21881	0.8
99.04523	6.7
116.03545	0.9
116.07185	2.5
129.05542	0.8
146.08241	52.0
157.41994	0.6
188.07448	0.6
218.00496	0.7
218.10347	21.3
218.12450	1.2
219.10637	0.9
219.17609	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0456
Annotation	Ochratoxin beta
Peak:m/z	Relative Intensity
54.19632	0.4
55.01880	13.1
58.20109	0.4
59.01385	3.8
70.16875	1.2
71.01386	1.1
73.02951	0.9
74.02460	0.9
88.58514	0.4
93.03450	0.7
101.02487	1.2
105.59695	0.4
107.43044	0.5
113.02481	0.6
115.05569	1.5
116.62395	0.4
119.57153	0.5
121.02985	0.7
131.05042	8.4
133.06607	100.0
134.06941	3.9
158.03775	0.7
159.04539	10.6
177.05588	4.0
203.03438	3.1
221.04562	5.2
221.08229	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	12.4
59.01385	4.2
59.13776	0.3
71.01390	1.0
71.29283	0.6
73.02926	0.4
79.95744	1.5
80.96502	0.7
85.02946	0.5
93.03462	0.4
101.02457	0.5
113.02487	0.5
115.05562	1.4
121.02965	0.7
131.05040	9.3
133.06610	100.0
134.03667	0.4
134.06950	3.0
135.04512	0.5
137.09729	0.6
143.46046	0.4
149.06111	1.0
158.03743	0.7
159.04530	12.4
161.02571	0.4
171.13452	0.3
177.01978	1.1
177.05589	4.9
177.09155	0.6
178.98541	0.6
203.03517	3.0
203.14554	0.5
206.12949	0.4
220.99655	0.4
221.02559	0.3
221.04538	6.2
221.06526	0.5
221.08241	0.4
221.11728	0.6
221.15508	1.0
222.08011	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01086	5.2
59.01382	100.0
69.03446	5.3
69.17375	20.9
71.01387	42.3
72.99323	3.3
73.02951	39.1
75.00883	5.6
83.01392	9.3
85.02955	9.9
89.02457	4.4
94.00391	3.4
94.10609	3.4
96.15382	3.0
98.21716	4.7
101.02457	27.1
105.03484	4.5
113.02457	23.9
131.05106	2.8
133.02966	9.6
133.06604	17.5
142.21730	3.3
149.06105	4.4
161.02429	3.4
161.09767	3.5
177.01945	20.3
177.05554	7.2
200.73038	2.7
203.10793	8.0
210.22627	3.2
215.42281	2.8
221.04535	5.8
221.11853	9.9
221.15637	3.8
222.07626	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	221.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
69.03429	5.9
71.00703	4.4
71.01390	60.1
73.02952	37.9
74.17787	4.6
83.01387	5.4
85.02959	17.4
87.35701	3.9
89.02467	11.2
95.01359	4.9
97.65144	4.1
97.65819	4.7
101.02453	24.1
108.98869	4.8
113.02454	35.4
120.70953	5.1
121.06597	6.0
131.03569	5.5
133.02988	6.6
133.10214	5.8
134.03329	6.5
149.06134	9.8
177.09204	11.8
206.05818	5.3
207.07246	5.1
221.08228	11.8
221.11911	7.9
221.15297	6.6
225.96791	5.0
229.90518	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	221.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60156	5.2
51.88691	4.5
59.01383	100.0
59.50650	4.2
71.01388	42.0
71.30502	8.4
73.02968	37.9
74.51388	4.5
83.01381	7.7
85.02962	11.1
95.01327	5.1
101.02477	23.7
113.02460	29.9
126.72751	5.1
133.02971	8.7
134.03296	30.5
137.09795	4.6
149.06009	5.7
159.08189	10.0
164.52191	6.2
177.09201	12.0
178.02306	13.2
178.98662	5.4
221.08286	6.9
221.11806	9.0
221.15443	14.4
222.07939	4.6
229.59799	5.7
239.47466	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	221.1548
Annotation	Kobusone
Peak:m/z	Relative Intensity
56.26801	0.1
59.01374	0.4
69.00335	1.2
69.97636	0.1
75.34592	0.1
97.06096	0.1
98.22511	0.2
99.08163	0.1
111.15440	0.1
127.07659	1.1
148.05327	0.5
149.05992	0.4
151.07645	0.5
162.83914	0.2
164.08421	2.2
165.09122	0.3
205.12329	1.9
206.12694	1.2
207.13916	1.4
220.14699	4.4
221.15465	100.0
221.84239	0.2
222.07780	0.1
222.15808	4.7
235.13414	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	222.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47423	2.9
58.00588	5.0
59.01386	100.0
69.31744	10.5
69.32175	14.0
71.01389	52.1
72.99338	6.5
73.02962	6.4
76.48272	3.5
77.29832	2.9
80.96512	4.6
83.01349	3.6
83.09537	3.0
85.02970	9.4
87.00901	3.5
87.02758	9.1
89.02457	70.8
89.02964	2.4
94.02995	70.7
94.81169	3.3
95.91149	3.4
101.02454	23.6
113.01745	4.7
113.02445	21.0
117.03822	13.2
119.03522	22.3
119.05009	8.5
124.04021	3.5
135.04880	91.7
137.68730	3.4
146.05499	5.3
151.86089	3.0
179.05624	4.6
180.06573	5.2
222.07793	9.2
223.02974	3.3
223.06451	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02987	14.1
59.01388	20.0
62.22114	1.1
69.59544	6.5
72.99318	100.0
83.31992	0.8
94.02991	13.7
101.03978	1.8
104.05080	2.0
115.37892	1.0
117.03458	1.8
118.06672	5.8
119.05061	9.6
121.02990	5.7
132.04596	1.2
134.06148	12.8
144.04562	15.7
146.06139	2.8
148.07706	14.2
149.06088	1.2
160.07646	2.0
162.05647	11.9
172.17882	1.2
176.07198	34.6
177.07527	1.2
180.06697	12.8
185.03223	1.1
194.98042	1.1
204.06674	18.6
222.07753	77.7
223.02808	1.3
223.08008	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	222.0775
Annotation	N-acetyl-DL-tyrosine
Peak:m/z	Relative Intensity
55.69153	1.0
58.02980	14.2
59.01389	19.1
70.58459	2.2
72.99315	100.0
90.15554	0.9
104.05085	2.0
118.06634	5.5
119.05032	9.2
121.02985	2.2
132.04530	1.2
134.06140	11.4
144.04570	16.4
145.05023	1.2
146.06075	2.0
148.07713	13.6
160.07693	1.4
162.05634	15.2
162.15802	0.9
163.50790	1.0
176.05733	2.0
176.07193	32.0
180.06656	12.7
203.52324	0.9
204.06656	16.9
211.75864	0.9
213.53403	1.0
222.07729	72.0
223.08105	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	223.0285
Annotation	Foetisulfide A
Peak:m/z	Relative Intensity
50.80063	0.2
57.50993	0.2
59.96722	0.9
61.98832	0.5
61.99399	0.2
64.99615	0.2
65.00311	0.2
72.74541	0.2
73.01164	0.2
74.99078	15.0
75.96217	1.1
75.99021	0.3
91.41808	0.2
93.00140	8.8
94.03001	0.3
98.22638	0.4
99.22358	0.2
108.02200	0.2
114.70855	0.2
120.17889	0.2
123.21866	0.2
127.40195	0.2
128.63751	0.2
143.16177	0.2
149.00969	13.8
150.01001	0.4
150.98877	0.9
152.96867	0.2
176.83694	0.4
206.99699	5.7
207.99799	0.4
223.02843	100.0
223.13414	1.8
224.02879	6.5
225.00739	0.3
241.03938	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	223.046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	9.8
57.03436	6.2
59.01377	11.5
67.01897	2.9
71.01390	16.6
72.99334	9.8
73.01154	2.0
73.02945	4.6
74.99117	1.6
75.00866	4.7
80.96532	2.6
81.03455	4.4
83.01392	27.1
84.64011	1.7
85.02961	17.1
87.00878	10.9
87.02757	5.2
89.00689	4.8
89.02454	2.6
91.02243	13.0
94.02993	100.0
99.00878	12.8
100.44356	1.7
101.02448	7.2
105.01900	2.9
111.00905	8.5
113.02461	3.8
115.03969	1.7
117.03803	6.7
119.05101	2.6
120.99652	3.8
121.03014	1.9
125.02451	8.4
129.01953	33.9
135.01250	20.5
135.04872	73.9
136.03151	1.8
143.03487	5.0
144.95459	2.9
147.03017	13.1
149.04573	3.2
165.04047	7.5
179.08345	2.5
180.06685	3.6
197.99933	1.7
198.43314	1.8
205.03510	9.2
223.02763	4.7
223.04524	11.3
223.06503	20.5
230.55899	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	223.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82524	0.3
55.33428	0.3
56.59279	0.3
59.01373	1.4
71.01375	2.0
71.30832	0.4
72.99297	0.5
73.02964	2.3
86.78737	0.3
93.03469	1.2
94.02999	3.4
107.05033	0.4
108.02131	0.3
117.03473	0.5
117.68474	0.3
119.05035	8.2
121.02963	100.0
122.03312	2.9
125.02455	0.3
133.06612	0.6
135.04536	1.1
145.02965	0.8
161.06091	1.0
163.04062	0.8
164.04759	0.6
179.03453	0.4
179.07072	0.4
180.06671	0.4
181.05038	0.5
205.05070	0.8
208.03775	1.6
223.02798	1.9
223.05887	0.7
223.07909	2.0
223.13283	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00605	0.8
59.01377	1.0
71.29542	0.7
72.99317	0.5
73.01161	1.3
73.02942	1.2
73.14549	0.4
73.53944	0.4
74.99080	0.7
77.63073	0.4
78.95877	0.6
79.95761	0.4
80.96529	0.8
84.04556	1.2
85.02929	0.7
87.00936	0.6
87.02755	5.8
93.03429	0.4
94.02994	100.0
95.03330	1.3
96.96015	1.5
101.02438	0.5
110.26599	0.4
117.03812	4.1
119.05020	2.6
121.02959	4.5
125.02441	0.4
126.90367	0.4
129.01939	0.6
135.04875	14.9
136.07677	1.2
148.04907	0.6
161.06087	1.0
162.05624	0.6
164.07199	0.8
165.01874	0.4
165.07455	0.4
179.08293	3.7
208.03764	0.6
223.02911	4.0
223.07091	5.7
223.17146	0.4
224.02876	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0977
Annotation	2,4-Dihydroxy-6-pentylbenzoate
Peak:m/z	Relative Intensity
50.78860	10.3
53.44239	8.5
59.01402	46.9
69.07422	70.6
73.78017	9.0
77.71091	8.5
94.02991	10.7
107.08711	9.1
125.41925	9.1
130.90297	8.6
134.31912	8.7
135.11806	29.4
153.09129	9.2
164.56573	8.5
165.23456	8.4
165.58531	8.5
179.10785	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	223.1342
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
54.23755	1.0
57.03441	1.4
57.93764	1.0
59.01376	5.3
66.44957	1.1
69.03463	6.6
70.86151	2.0
70.99667	0.9
71.05016	2.4
83.05022	1.3
85.06586	1.2
95.05038	1.4
95.94137	1.0
100.93165	1.2
108.05800	1.3
109.06606	1.6
125.09762	1.2
126.91197	1.1
135.11856	1.1
136.99416	1.1
149.09689	2.3
167.10793	10.6
177.12875	1.6
179.10802	3.1
179.14430	11.5
195.13922	32.3
205.12357	22.2
209.89937	1.2
223.13409	100.0
224.13742	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	224.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20612	2.3
55.16774	2.4
55.47638	2.6
57.15884	2.6
59.01372	3.5
80.05042	6.0
94.02987	7.6
96.04546	4.4
97.02975	3.0
98.22535	4.3
109.06579	3.0
110.06133	9.9
172.52277	2.5
181.12325	3.0
186.35031	2.5
207.10295	12.8
224.12923	100.0
225.11299	14.9
225.13148	5.4
225.15105	4.2
228.70093	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	224.1294
Annotation	N-Methylmescaline
Peak:m/z	Relative Intensity
53.61340	2.6
56.80453	2.0
58.12601	2.2
59.48558	2.2
69.61637	15.0
78.88895	2.3
80.05042	6.2
92.80947	2.2
94.02989	4.8
96.04588	3.0
97.02953	3.5
109.06620	3.2
110.06115	7.7
116.26049	2.3
119.96163	2.0
145.94478	2.5
163.11267	6.0
181.12352	13.1
207.10278	31.3
214.61966	2.9
223.16048	2.7
224.12932	100.0
225.11353	41.0
225.13458	3.8
236.43269	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	225.0617
Annotation	Glucoheptonic acid
Peak:m/z	Relative Intensity
58.00601	3.8
59.01387	59.8
69.41994	9.5
71.01392	32.6
72.99303	3.5
76.59431	1.5
78.03497	4.9
80.96548	2.9
85.02962	6.6
87.00840	2.0
89.02452	43.1
93.03464	1.8
94.03006	4.5
95.01396	2.0
96.04563	100.0
96.95992	1.6
97.02983	1.4
101.02446	16.6
113.02460	13.1
119.03504	19.2
119.82844	1.4
137.04439	3.8
146.25191	1.5
155.47690	1.3
176.77936	1.5
179.05609	3.6
181.09798	4.8
184.54579	1.6
225.08887	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24833	0.8
54.87816	0.8
59.01383	6.8
61.29449	0.9
69.03461	0.8
73.50022	0.8
74.45849	0.9
75.32257	0.9
80.02698	2.0
80.85191	0.8
81.03452	2.7
83.05017	2.7
84.02158	2.1
84.86661	0.8
95.05035	1.0
97.02955	12.0
99.00864	1.1
107.05081	1.2
109.06604	32.7
110.03746	5.3
121.06588	1.6
134.28825	1.0
135.08162	4.3
136.05305	2.6
142.02716	5.4
145.10272	1.5
161.09741	2.4
163.11295	25.1
164.11598	0.9
179.10765	1.3
181.12361	14.8
181.87306	0.9
189.09189	1.1
197.11830	1.3
207.10275	93.8
208.10565	2.6
225.11334	100.0
226.11653	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	225.1135
Annotation	12-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
52.51932	1.3
57.03455	8.1
59.01384	77.4
60.40373	1.1
65.52724	1.1
66.90227	1.4
69.03453	5.3
69.68205	1.0
70.24966	1.1
70.38653	1.1
71.01388	22.7
71.05020	3.5
71.06707	2.7
80.02668	2.0
81.03452	1.9
83.05050	6.1
83.17617	1.1
85.06594	1.8
89.08540	1.3
90.07365	1.4
93.03477	4.9
93.07123	5.8
95.01414	1.7
95.05035	6.9
96.04547	7.2
96.95979	1.3
97.02962	3.4
107.05061	1.9
109.02941	1.4
109.06601	11.7
110.03748	4.1
110.86298	1.1
111.04539	4.7
115.04069	1.7
121.06616	1.5
123.08158	11.4
125.09721	1.4
129.05612	2.6
135.08174	14.0
145.10233	2.1
148.33774	1.5
151.11293	7.9
153.09198	3.1
153.12929	1.5
161.09746	2.8
163.10031	2.2
163.11313	28.3
165.09320	1.3
173.43283	1.2
177.09135	3.2
179.10814	3.3
179.41570	1.2
181.08719	1.8
181.12340	7.1
189.09247	3.8
195.10248	10.8
197.11891	1.4
200.32930	1.2
207.08296	2.6
207.10280	62.5
225.11336	100.0
226.11671	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	225.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19310	0.9
57.82781	1.0
59.01374	4.6
71.05074	1.0
74.23877	0.9
80.02641	1.2
81.03468	1.3
83.05018	2.8
84.02196	1.7
97.02966	7.0
109.06608	31.5
110.03758	5.1
115.41509	1.0
121.06592	1.7
135.08174	3.8
136.05322	2.6
142.02724	3.3
151.16060	1.0
161.09773	2.0
163.11305	19.5
181.12384	13.8
189.09207	1.9
207.10287	77.2
208.10625	2.4
221.12836	1.0
225.11339	100.0
226.11618	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	225.1134
Annotation	Chloriolide
Peak:m/z	Relative Intensity
58.14423	1.0
59.01384	18.0
69.03457	11.1
69.05652	10.7
71.01368	1.5
71.36623	1.0
73.02931	1.7
79.05537	1.3
81.03465	3.9
83.05030	7.3
84.02160	1.6
93.03455	2.1
95.05048	6.0
96.04563	3.8
97.02957	7.4
99.04522	1.4
106.04248	2.4
107.05017	1.2
107.08715	1.8
109.06602	19.6
110.03709	4.8
111.04529	2.5
121.06594	2.2
121.10210	5.2
133.10242	4.3
135.08179	3.6
142.02744	2.5
143.40491	1.2
145.10242	12.6
151.11307	2.9
153.12732	1.4
161.09718	2.8
163.11311	27.3
165.09294	2.2
179.10791	2.2
181.12329	11.5
189.09213	4.6
195.10211	1.4
197.05983	1.0
197.11880	1.9
202.93279	0.9
207.10277	65.7
208.10664	2.8
225.05548	2.3
225.11334	100.0
226.11615	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	225.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	6.2
59.89281	0.8
70.34511	2.9
71.05019	1.0
80.02704	1.1
81.03461	2.6
83.05029	2.6
84.02158	1.5
97.02972	9.4
98.21901	0.8
99.00916	1.5
100.91151	0.8
109.06604	25.3
110.03739	5.7
110.06924	0.7
121.06610	1.4
123.04514	0.8
125.09724	1.1
135.08160	4.4
136.05301	3.1
142.02713	4.7
145.88588	0.8
160.66623	0.9
161.09708	2.0
163.11302	21.2
164.11600	1.0
179.10759	2.0
181.12370	20.3
197.11859	1.0
207.10294	87.9
208.10622	3.3
225.11351	100.0
226.11649	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	225.1136
Annotation	Chloriolide
Peak:m/z	Relative Intensity
59.01383	8.7
62.20880	0.7
69.03474	1.0
71.05035	1.1
71.46683	0.7
80.02688	2.1
81.03461	3.7
83.05031	3.2
84.02173	1.4
85.02991	1.0
91.82559	0.7
93.03469	3.0
94.02984	0.9
96.04562	2.1
97.02957	11.5
97.06536	0.7
99.00896	1.6
109.02989	1.1
109.06596	37.8
110.03739	3.5
110.06973	1.0
111.04539	1.3
121.06625	2.5
123.04536	1.1
135.08173	5.6
136.05290	2.7
142.02730	7.9
161.09776	1.8
163.11296	24.4
164.11629	0.8
165.09305	0.9
179.10793	1.2
181.12378	18.9
182.12733	0.9
183.10286	1.1
189.09344	1.4
197.11725	0.8
207.10286	91.0
208.10677	4.5
224.90771	0.9
225.11345	100.0
226.11620	3.8
246.73494	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1611
Annotation	1,8-Diazacyclotetradecane-2,9-dione
Peak:m/z	Relative Intensity
50.32861	0.6
53.98018	0.4
58.02995	0.7
59.01389	1.0
65.47007	0.5
68.33801	0.5
71.01403	1.2
71.30717	0.7
72.04560	0.6
72.99309	0.5
80.05070	7.0
81.03465	18.2
82.03789	0.6
83.05032	88.9
84.05373	1.1
84.09789	0.4
89.68011	0.4
93.03472	1.3
94.02978	0.8
94.06652	0.5
96.04559	12.6
96.96019	1.9
107.06199	0.5
108.04567	1.5
110.06128	10.7
115.00413	0.9
118.34867	0.5
119.05038	1.9
125.07214	3.2
137.09772	0.8
138.05626	0.8
143.08273	3.3
145.08702	0.7
154.12384	1.5
160.07310	0.5
163.03972	0.9
163.07518	0.5
166.12398	0.5
171.45555	0.5
181.05135	0.8
181.08623	0.5
182.04614	0.7
182.08246	4.8
182.11816	0.7
207.15025	10.6
225.04156	2.3
225.16092	100.0
226.07181	1.3
226.10757	0.9
226.16457	4.2
231.33299	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07180	0.7
59.01384	1.1
69.66113	4.0
71.01390	5.2
72.99313	41.5
75.00872	1.6
75.67469	0.7
78.03481	3.2
80.05066	59.3
81.03477	1.9
82.03793	0.8
83.05035	11.4
84.05356	5.6
85.02979	1.0
94.02999	1.9
94.06615	3.5
96.04563	47.7
97.04883	1.0
98.21868	0.9
107.03768	2.5
108.04594	1.4
110.06128	100.0
111.06489	1.7
115.00388	6.4
122.02460	1.0
125.07124	0.7
126.07574	0.7
134.06091	0.7
138.02080	0.8
138.05638	4.2
139.07689	1.6
140.03548	1.4
143.08134	0.9
151.07674	1.3
152.08449	2.2
158.47360	0.7
165.09221	2.5
182.04610	2.8
182.08235	38.3
183.08627	1.3
187.42311	0.7
208.15334	1.7
209.08272	1.2
225.16127	1.6
226.07231	10.9
226.10683	3.3
226.16426	17.5
227.07167	0.9
227.09285	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	227.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66765	0.5
72.94950	0.5
72.99317	100.0
73.99644	0.7
75.00882	2.8
77.66035	0.5
96.04573	1.4
97.02942	1.0
97.04893	1.1
98.55525	0.6
102.05017	0.4
107.05010	0.5
125.06081	0.8
137.06122	0.8
138.06848	1.9
139.07669	2.8
150.06921	0.8
151.07661	3.1
152.08467	4.4
153.09241	1.5
165.09250	4.4
172.06425	0.5
209.08144	2.8
212.50481	0.5
221.95410	0.5
227.09271	33.5
227.20181	1.1
228.09682	1.2
244.15509	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
61.33268	0.8
69.04985	8.8
70.61253	0.8
70.74605	0.9
71.01347	0.8
80.02699	2.2
81.03460	1.4
83.05038	6.4
83.36070	1.0
84.02171	3.3
95.05035	1.1
108.22663	0.8
119.87852	1.0
125.93991	0.7
131.09000	1.0
151.49590	0.9
156.16707	0.8
163.11296	5.1
165.12831	4.0
172.07458	0.8
181.12320	1.4
191.10844	1.7
199.13419	2.5
209.11842	100.0
210.12122	2.5
225.40129	0.9
227.12944	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	227.1291
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
63.30811	2.5
83.67588	2.6
98.22599	5.0
118.35671	2.8
139.11244	2.7
165.12863	24.8
171.04570	3.3
183.13919	100.0
184.14307	7.5
185.02739	2.5
209.11835	21.1
227.03474	6.0
227.07155	6.9
227.12856	27.7
227.16534	3.8
227.20222	5.4
228.76486	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	227.1291
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
57.03439	7.0
59.01385	53.7
68.20015	2.2
69.03461	14.3
69.19582	18.4
71.01368	3.9
74.09056	2.3
88.62169	2.0
107.08667	7.2
127.07649	19.3
133.10229	2.5
135.11824	32.1
140.98927	2.5
147.11803	7.6
153.09232	100.0
161.09766	3.1
165.12819	3.3
179.10799	99.4
180.11140	4.7
197.11891	5.4
209.11847	34.0
227.12888	71.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1291
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
55.30207	1.0
57.03444	1.7
59.01386	20.0
59.20779	1.0
65.06920	1.0
65.14192	1.1
66.91924	1.2
69.03462	2.2
69.04414	11.1
83.05042	1.7
94.71669	1.0
97.07937	1.1
102.97286	1.2
107.08682	2.5
107.33444	1.0
110.02488	2.3
112.01976	1.0
133.10194	1.1
135.08177	1.6
135.11803	12.1
147.04532	1.2
147.11794	2.2
153.09232	36.6
153.10495	1.8
154.09624	1.2
155.04996	2.6
161.25558	1.0
165.09215	1.2
165.12903	1.6
179.10793	38.1
180.11147	1.5
182.03722	13.1
183.04501	28.3
183.10268	4.4
184.04863	1.2
185.02446	6.7
191.10799	2.1
209.11864	18.9
210.12148	1.2
227.03523	100.0
227.09241	2.9
227.12900	28.8
228.03897	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	227.1292
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
50.14579	0.8
58.00598	2.1
59.01372	1.1
68.29653	0.8
69.38000	5.1
69.38406	1.9
70.03812	0.8
81.03465	1.8
82.85541	0.9
83.05032	7.8
84.02184	3.1
85.47365	1.0
135.08202	1.3
139.11322	1.6
163.11334	3.7
165.12863	4.1
181.12276	2.2
191.10881	3.0
199.13402	12.0
209.11850	100.0
210.12210	3.8
227.03479	2.4
227.12898	22.9
228.13260	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	227.1292
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
51.44681	0.4
68.30349	0.5
70.08478	1.3
70.08876	0.9
77.36006	0.6
80.02679	1.8
81.03458	1.6
83.04594	0.7
83.05039	7.1
84.02189	3.4
86.69993	0.5
88.17233	0.6
95.05043	0.9
125.06071	0.8
125.09708	0.7
135.08189	0.7
147.26524	0.5
163.11304	6.0
165.12892	4.3
181.12337	0.9
191.10788	1.5
198.87802	0.6
209.11848	100.0
210.12212	4.0
227.12950	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	229.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65221	1.0
52.77668	1.0
53.00345	0.8
59.01385	100.0
60.01701	1.2
64.08513	1.0
69.52255	2.5
69.52686	3.8
85.00427	4.9
103.01507	64.9
152.46255	0.8
167.87085	1.2
167.99689	1.2
230.15669	1.2
230.31531	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
67.80825	0.5
70.58450	1.3
72.00913	20.0
80.08508	0.6
100.00413	35.2
116.05057	5.9
130.06636	14.9
131.07019	0.9
142.06628	100.0
143.06990	3.4
158.06105	1.4
171.08180	2.9
182.61458	0.6
185.07260	4.2
186.05614	29.8
187.05931	0.8
187.11308	7.8
229.06200	13.0
229.08717	2.3
229.12338	5.9
229.14458	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	229.0871
Annotation	Hibiscoquinone C
Peak:m/z	Relative Intensity
59.01366	4.5
69.62581	6.8
71.73360	1.7
84.16671	1.7
85.83028	1.8
85.84613	1.5
101.34070	1.7
103.01462	2.0
167.87128	2.9
176.77620	1.7
186.03375	1.8
199.03882	1.8
200.04842	3.3
213.05623	18.1
214.06369	24.9
217.26619	1.8
229.08714	100.0
229.18138	1.7
230.09076	6.0
246.05278	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	229.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26038	0.5
51.87417	0.5
57.01805	0.6
58.02981	6.5
59.01368	1.1
70.84608	1.5
72.04555	0.6
74.02481	65.8
85.04073	1.1
86.65267	0.7
87.05619	0.8
99.04530	0.8
112.02802	1.2
117.04918	0.5
123.51620	0.6
125.06089	1.7
126.09267	3.1
128.05852	0.5
128.10841	0.7
141.09273	1.7
143.11919	100.0
144.04581	0.7
144.12311	1.6
146.06146	1.7
154.08748	9.7
156.05849	1.5
157.06580	0.8
167.11954	1.3
169.05052	1.3
180.57013	0.6
185.02826	1.6
185.06078	1.0
185.08206	0.7
185.12994	13.3
187.06270	1.9
187.10884	3.7
201.05536	3.1
218.39450	0.7
229.05197	2.4
229.07217	1.2
229.12010	28.9
247.64645	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1447
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03449	1.5
71.05011	0.9
77.08334	0.3
83.05018	0.7
84.02161	0.5
85.02964	1.0
97.06576	0.5
98.21736	0.7
123.08121	0.4
125.09736	4.5
127.11311	4.8
153.12871	0.3
155.14453	2.4
165.12851	0.9
167.14426	1.9
171.10233	0.4
183.14011	0.7
185.15361	0.4
209.11862	2.0
211.13449	3.4
229.14452	100.0
230.14745	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	231.0875
Annotation	Jioglutin C
Peak:m/z	Relative Intensity
52.04044	1.3
55.01875	1.9
57.03451	12.9
59.01382	33.8
66.37048	1.5
69.03466	10.8
70.86172	2.8
70.86523	1.8
71.01376	2.7
71.05029	17.0
72.99315	1.6
73.02952	3.0
83.05016	3.0
85.02944	14.4
86.03743	3.0
87.04529	29.2
95.05001	2.0
97.06624	2.8
101.02453	6.3
107.05037	2.2
107.08669	17.2
109.06600	5.3
113.02461	15.4
113.06107	4.7
115.04025	1.7
123.08180	3.4
125.09735	17.5
131.03471	1.9
138.50192	1.5
141.09245	2.6
146.02470	2.1
148.08498	1.5
151.07663	7.7
153.05682	1.4
169.08714	76.2
171.06645	10.2
185.08202	5.4
187.09773	100.0
188.10118	3.2
189.06590	2.3
213.07587	2.0
231.08743	61.8
231.12389	3.2
232.09242	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	231.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.5
57.03446	12.1
58.00583	2.7
59.01382	34.9
64.25122	1.9
67.05691	1.6
69.03473	12.2
69.21903	13.0
69.22305	4.0
71.01377	4.6
71.05030	16.9
72.99316	3.1
73.02950	6.4
83.05010	4.1
85.02942	11.6
87.04512	30.8
87.61302	1.7
98.22582	3.0
101.02452	5.7
101.06094	1.9
107.05067	3.5
107.08682	17.4
109.06573	5.2
111.04565	1.8
113.02454	17.3
113.06090	2.8
118.05944	1.9
123.08118	2.6
125.09748	16.8
133.39487	1.8
141.01979	3.2
146.02489	3.9
151.07635	8.5
169.08714	75.6
170.09067	3.1
171.06633	9.3
185.08174	3.0
187.09766	100.0
188.10178	2.6
213.07727	2.4
214.46228	1.9
231.08759	57.6
231.12392	5.2
231.17578	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	231.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12919	1.0
57.03460	1.2
59.01386	48.9
67.00850	0.8
69.00379	8.2
71.05009	1.5
98.21752	1.8
113.09703	1.5
123.08253	1.0
125.09695	1.6
141.09206	1.9
143.10788	19.0
171.10291	11.2
187.07623	1.3
187.11348	2.1
189.11342	100.0
190.11688	3.3
195.48203	0.9
203.10780	1.7
231.10298	1.8
231.12415	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	232.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	27.8
71.01393	7.7
71.28060	1.3
72.87261	0.7
85.06599	24.2
88.04051	100.0
94.86357	0.7
103.59190	0.8
109.06534	0.8
113.06100	3.9
130.08714	1.4
130.09579	0.9
134.04753	2.7
144.04645	0.9
160.09819	22.0
170.09105	1.0
173.08189	1.5
188.98567	1.4
227.50275	0.9
228.80675	0.9
232.06157	1.1
232.09705	1.9
232.11888	14.9
232.97572	1.9
233.10268	2.0
233.15488	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	233.0821
Annotation	GTRI-02
Peak:m/z	Relative Intensity
50.75672	0.9
54.37496	0.9
59.01381	12.3
71.32170	1.6
108.02185	1.9
109.02959	1.5
119.05000	0.9
121.21211	0.9
133.03029	1.2
134.03699	1.1
135.08151	1.4
136.01680	15.7
146.03731	1.8
147.04514	4.5
149.06079	3.9
159.04529	9.2
159.08234	1.1
161.02455	32.0
162.03076	1.0
169.06570	1.4
171.04504	3.5
172.05312	25.4
172.06740	1.7
173.06036	4.3
174.03198	3.7
175.04010	59.8
176.04784	8.2
177.05574	2.2
185.06110	2.7
186.03194	1.1
186.06956	1.0
187.04037	2.1
187.07648	32.8
188.98581	1.1
189.05580	9.7
189.09276	1.6
189.12862	1.8
200.04784	8.8
201.05360	1.5
203.03491	2.5
203.07013	1.2
204.04289	6.8
204.07977	2.0
204.35680	1.1
205.08757	11.4
208.03767	3.2
215.07133	75.1
216.07440	2.3
231.06642	1.6
232.03671	2.3
233.08199	77.3
233.15482	100.0
234.08495	2.6
234.15807	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	233.0933
Annotation	5-methoxy-L-tryptophan
Peak:m/z	Relative Intensity
59.01384	13.0
65.99850	6.7
66.52679	0.5
71.31276	1.2
72.33934	0.6
73.80285	0.5
82.02989	38.1
83.01382	1.3
85.49586	0.6
93.03468	0.6
94.02997	2.0
95.05011	0.6
96.04568	0.7
97.06593	1.6
101.04310	0.5
106.02991	0.7
122.06169	1.0
132.04594	0.8
136.04039	1.3
138.05611	1.9
146.06107	0.6
148.07689	0.9
148.54817	0.6
149.04807	1.2
150.05611	4.8
159.06651	1.6
161.02490	0.7
161.04825	3.4
163.05171	1.5
174.05583	3.4
188.07190	1.3
188.98547	1.4
190.08762	10.4
191.08281	12.8
192.06580	0.7
215.08237	2.0
217.06152	11.9
218.06969	17.7
233.09320	100.0
233.15497	28.4
234.07664	0.8
234.09610	3.7
234.15961	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1031
Annotation	ascr#11
Peak:m/z	Relative Intensity
55.01885	10.9
57.03452	5.7
58.00583	2.9
59.01386	61.2
66.35152	1.1
66.91700	1.2
69.03458	1.9
69.47163	7.9
70.03236	1.0
71.01390	100.0
71.05009	4.7
72.99303	4.6
73.02953	34.6
73.03371	1.3
75.00870	7.0
78.59511	1.0
81.03431	1.6
83.01396	18.9
83.05010	1.1
85.02957	58.1
87.00884	4.7
88.50854	1.1
89.02439	4.2
95.01401	8.5
97.02959	1.9
99.00890	16.0
101.02454	69.8
104.03572	3.6
111.04502	1.4
113.02457	37.8
125.02457	1.2
129.01929	1.7
143.03497	1.6
143.98105	1.0
159.03017	4.5
161.04582	12.8
188.57980	1.2
190.98763	2.2
233.10353	9.2
233.15485	40.5
234.09898	3.4
234.15834	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	233.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27961	0.4
56.21792	0.4
57.53370	0.4
59.01396	0.8
60.97508	0.6
69.29762	1.8
69.30177	1.0
74.99072	9.0
75.00922	0.4
75.96262	0.5
91.02223	0.8
93.00156	2.6
98.22475	0.9
116.31374	0.4
118.96321	1.3
134.99411	8.2
136.97310	3.1
141.07394	0.5
143.05331	0.8
149.00967	76.2
150.00902	2.3
150.98909	1.2
159.08490	2.0
161.06416	4.1
183.05681	0.4
199.34198	0.4
215.05672	1.4
217.07216	100.0
218.07384	5.9
233.10350	97.0
233.15379	17.6
234.10509	4.7
234.15794	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1186
Annotation	alpha-Phenylcyclohexylglycolic acid
Peak:m/z	Relative Intensity
59.01380	1.8
96.77303	0.2
106.04327	0.2
107.05035	0.8
109.02957	0.4
121.06541	0.2
122.03763	1.9
135.04546	0.5
136.01700	0.5
144.05862	0.3
146.07396	1.1
147.08174	0.3
149.02464	0.5
161.06068	0.3
172.05319	14.0
173.06036	1.9
175.04018	1.9
177.10889	0.2
187.11337	0.4
188.04787	0.6
189.05612	2.5
189.09229	0.5
189.12889	6.4
190.06291	0.7
190.13177	0.3
191.07205	0.6
200.08415	0.5
205.05078	0.2
205.12271	0.4
215.10796	4.0
217.08725	11.7
218.09366	1.5
231.10298	0.4
233.11856	100.0
233.15356	21.3
234.12212	4.6
234.15697	1.2
235.71422	0.3
238.51439	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59116	0.6
51.32671	0.5
57.03443	0.8
58.99627	0.6
59.01384	11.3
59.80578	0.5
67.38833	0.5
71.01385	4.3
71.27343	0.8
71.27749	0.8
72.99324	2.0
73.02956	1.8
75.00867	1.0
77.45641	0.5
80.96568	1.4
83.01421	0.6
85.02962	2.2
87.00866	0.8
87.04513	0.7
93.03465	1.0
97.02960	0.7
101.02444	2.9
105.03803	10.5
109.94955	0.7
113.02480	1.4
117.03477	11.0
119.05041	100.0
119.55404	0.5
120.05375	1.9
121.02963	1.7
132.05821	2.1
133.02959	0.6
133.06610	1.9
145.02966	26.8
145.08632	0.8
147.04820	0.8
161.04739	1.1
161.06105	4.4
162.03246	0.6
163.04022	67.7
164.04384	1.9
175.04272	0.9
190.97057	0.7
191.07132	7.7
193.05414	2.1
193.06996	1.3
217.10861	1.2
235.02859	0.8
235.04073	0.7
235.06050	4.7
235.11588	1.3
235.13657	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14488	0.6
56.57087	0.5
56.99907	0.5
57.03458	0.5
58.00071	0.5
58.99605	3.5
59.01093	0.6
59.01386	9.9
71.01382	1.8
71.29568	0.7
75.88861	0.6
76.35254	0.5
80.80790	0.5
87.00892	1.9
101.02450	0.9
103.02236	5.4
105.03809	100.0
106.04156	1.3
113.02434	0.6
117.03496	1.9
119.05034	15.4
121.02898	0.8
145.02966	4.3
157.54936	0.6
161.06064	1.1
163.04034	8.5
175.04323	4.6
178.10139	0.6
191.07198	1.7
193.05424	16.9
193.07217	0.9
207.95190	0.6
221.05984	0.5
235.06384	2.4
235.13400	1.3
249.77544	0.6
254.44049	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0825
Annotation	Antibiotic WF 3405
Peak:m/z	Relative Intensity
55.01881	10.7
57.03460	6.6
58.00603	2.4
59.01384	50.1
60.27068	1.5
64.45110	1.2
69.41599	9.8
70.52254	1.3
71.01385	100.0
72.99294	3.4
73.02952	40.0
80.79127	1.2
83.01394	16.1
85.02959	50.5
86.00086	2.2
87.00880	14.4
89.02422	3.4
95.01398	7.3
97.02977	2.7
99.00897	15.5
101.02452	67.8
103.42068	1.4
105.03802	4.1
113.02457	35.4
119.05007	2.5
119.72141	1.3
125.02428	2.1
129.01913	2.2
145.05096	4.8
159.02974	7.4
161.04561	24.6
211.46613	1.6
235.08177	3.9
255.25899	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	236.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27663	0.2
60.81066	0.2
70.10635	0.2
70.29924	0.4
70.30305	0.3
81.39874	0.2
98.22452	0.3
134.03772	0.5
135.04533	0.6
136.05316	0.6
139.70389	0.3
148.04137	0.5
148.05316	9.6
149.05894	0.4
149.09749	1.7
157.84166	0.2
162.06889	0.7
173.09741	0.2
175.07646	0.6
176.08430	1.0
177.09224	46.4
178.09613	1.7
190.10010	1.9
191.10782	0.8
192.11577	35.0
193.11949	1.5
201.09247	0.6
203.07156	0.5
217.08691	3.6
218.09491	9.7
236.10562	100.0
237.10930	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	237.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94218	0.9
59.01378	2.0
62.23005	0.8
69.51576	4.4
74.30547	0.9
80.96485	1.4
90.52604	0.8
93.03467	2.2
97.06619	0.9
97.07685	0.7
106.04297	1.3
112.21654	1.1
115.11356	0.8
117.87974	1.0
121.02968	4.3
123.08178	0.9
124.42046	0.8
133.02979	7.5
134.03761	100.0
135.04105	3.0
137.02463	19.0
139.04015	7.6
148.43152	0.9
149.02455	3.1
149.06104	24.5
150.03206	1.4
163.65694	0.9
165.01965	1.1
178.02734	57.7
179.03084	1.7
193.05081	22.0
199.44684	0.8
222.01717	11.5
237.04074	82.1
237.09421	1.7
238.04405	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	237.0404
Annotation	3,4-Bis(methoxycarbonyl)benzoic acid
Peak:m/z	Relative Intensity
52.87934	0.8
57.03449	1.3
59.01374	2.2
67.92532	0.6
71.29803	0.7
71.30225	1.4
79.95739	1.0
80.96513	1.2
83.05025	1.0
84.45144	0.7
87.00868	0.9
93.03458	2.5
96.95985	1.0
98.22052	0.9
106.04263	2.6
109.02961	1.5
111.00900	1.2
121.02942	4.8
123.08147	1.1
133.02957	9.5
134.03755	100.0
135.04099	3.1
137.02457	20.9
137.03522	1.0
137.09708	1.3
139.04012	8.3
141.65675	0.7
149.02432	3.3
149.06097	21.2
150.03203	1.5
150.06429	1.3
161.46759	0.8
171.11844	1.4
177.09212	0.7
178.02731	56.3
179.03043	1.3
193.05077	19.4
222.01729	11.4
228.80351	0.8
237.04071	76.8
237.07941	2.6
237.15025	2.5
238.04417	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	237.0619
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
51.59646	0.3
53.57487	0.3
57.03448	2.9
59.01372	2.0
59.29285	0.4
69.20514	0.3
69.33869	1.8
69.34289	0.8
69.69315	0.4
71.01373	0.6
78.95911	43.7
85.02957	1.7
87.00883	100.0
88.01228	0.5
94.95770	0.4
99.00935	0.4
108.93746	0.6
129.01956	18.8
136.94019	0.5
154.90517	0.8
154.91608	1.2
156.91342	0.9
178.95012	0.6
180.63927	0.4
194.93793	1.4
195.72000	0.4
217.78023	0.3
218.86856	4.6
236.87813	1.6
236.94960	0.6
237.06122	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	237.077
Annotation	Sporovexin A
Peak:m/z	Relative Intensity
53.63707	1.7
54.01561	1.3
55.01880	1.7
57.03452	4.1
59.01381	52.1
61.65531	1.7
67.01887	5.2
69.03468	11.5
69.21801	11.0
69.22208	3.5
71.01386	8.7
71.04657	3.0
71.05028	39.6
73.02957	1.9
79.05544	16.7
80.02682	2.4
81.03465	3.1
83.01405	4.5
83.05029	7.3
85.02958	8.8
87.04515	6.2
89.06061	4.2
93.03454	6.0
95.05009	2.5
96.96021	3.2
106.04265	13.5
107.05021	18.4
107.08648	2.1
108.02171	5.4
108.77226	2.1
109.02982	8.2
109.06592	2.5
111.04536	17.5
115.05549	2.1
119.05038	25.0
119.33466	1.6
119.35119	1.6
120.01218	2.0
120.05867	3.5
121.02986	9.5
121.06614	17.9
123.04532	13.6
130.89293	1.5
131.08714	11.4
133.03009	1.8
133.06622	4.4
136.01646	22.3
137.02394	2.1
147.04469	2.6
147.08179	7.9
149.02487	3.4
149.09732	100.0
150.10059	4.4
175.07661	6.4
177.01949	6.4
191.07182	3.2
193.08723	23.4
219.02917	2.2
237.03964	4.5
237.07455	14.0
237.15060	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	237.15
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
51.07022	1.3
53.61167	1.3
57.03455	19.1
59.01373	4.2
61.58169	1.3
69.00569	13.1
71.01376	1.5
83.05022	4.4
109.06626	2.2
139.11273	1.4
167.10794	3.9
177.12842	1.6
179.10837	2.6
193.15945	5.0
195.13939	4.3
219.13890	2.1
237.03946	1.5
237.14967	100.0
238.15340	4.7
244.21402	1.3
250.40703	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	239.0563
Annotation	Eucomic acid
Peak:m/z	Relative Intensity
53.84555	1.5
59.01390	1.8
69.16384	2.7
69.16788	9.4
70.00148	1.3
80.05074	1.3
87.00877	8.8
90.43763	1.3
93.03484	2.6
106.04260	5.3
107.05043	29.4
108.02186	4.2
110.06190	1.5
121.02941	7.8
122.03772	1.3
133.06589	15.4
134.03802	1.6
135.04558	6.5
137.02461	23.1
149.06096	42.3
150.03229	15.6
150.06458	2.0
156.16733	1.4
165.05553	4.2
177.05592	49.5
178.05914	1.6
179.03516	95.8
180.04063	2.4
193.05103	1.3
195.06647	8.5
196.09663	1.6
209.04565	9.8
221.04562	4.4
223.02858	2.9
239.05621	100.0
240.05942	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	239.06
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53082	0.3
51.80450	0.3
52.99260	0.3
55.44991	0.3
56.99063	0.3
59.96725	0.6
63.52198	0.3
74.99077	12.0
75.96214	0.5
76.29644	0.3
78.25046	0.2
90.13104	0.3
91.02215	10.3
91.02780	0.6
91.05498	0.3
93.00136	5.0
102.23135	0.3
149.00964	6.3
195.13936	0.3
206.99722	3.5
207.10335	0.5
223.02847	100.0
224.02899	5.3
228.89207	0.4
239.06499	0.6
239.12920	0.6
241.03850	1.9
258.72156	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0926
Annotation	2-carboxymethyl-3-hexylmaleic acid anhydride
Peak:m/z	Relative Intensity
54.12870	2.1
57.03442	6.7
59.01381	100.0
65.03956	7.4
69.03452	9.8
71.01388	38.9
71.31422	4.8
93.03488	2.4
97.06606	2.6
100.12263	2.5
101.02866	2.4
107.05018	4.1
109.06595	3.6
113.02482	4.2
115.04054	3.4
123.08166	32.2
125.06087	2.9
135.08168	9.6
137.02393	8.4
151.11311	29.3
177.09242	7.6
177.12828	4.9
179.07172	8.2
180.06929	5.9
193.07742	3.7
195.10371	94.7
195.13910	5.3
212.06021	3.3
221.07277	7.8
223.02866	5.8
239.09360	12.5
239.12985	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	239.104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26884	0.4
58.02963	0.5
69.45101	2.6
73.89433	0.4
78.03494	5.5
80.05067	60.8
81.05418	1.0
94.03001	1.3
96.04567	22.9
110.06129	100.0
111.06509	0.9
122.02457	0.6
124.59731	0.5
124.60635	0.4
137.31572	0.5
148.78970	0.5
172.63033	0.5
195.11409	7.0
196.93628	0.5
221.09387	0.5
239.10385	12.9
240.10701	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	0.7
65.45814	0.5
65.70901	0.5
69.54204	2.0
69.54636	1.3
78.03487	6.7
80.05061	65.0
81.05388	1.0
88.88353	0.5
94.02988	1.1
96.04560	26.3
110.06123	100.0
111.06464	2.4
122.02473	0.6
133.63776	0.5
133.70093	0.5
145.98560	0.5
184.63380	0.5
195.11372	7.3
195.80096	0.5
221.09363	0.9
239.10382	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	239.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71602	0.5
57.77440	0.4
59.01370	2.3
67.85058	0.5
69.60120	1.5
69.60537	1.4
74.62158	0.5
83.05040	0.6
85.02944	0.8
96.19236	0.5
105.66265	0.5
110.81625	0.6
114.53740	0.5
125.89890	0.6
152.65038	0.5
155.19604	0.5
168.19598	0.5
169.77258	0.5
177.12831	2.5
195.13919	100.0
196.14249	4.2
206.29065	0.5
221.11836	1.1
223.02884	1.5
223.46841	0.6
231.58125	0.5
239.06895	0.7
239.12912	10.0
239.16592	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.94595	0.4
76.71711	0.5
77.94358	0.4
92.09034	0.5
95.05033	1.0
100.78069	0.4
100.96471	0.5
101.06086	8.2
109.06601	5.1
109.75874	0.4
111.08159	5.0
122.03699	0.9
125.09737	1.8
131.85391	0.4
139.04018	15.2
139.07637	0.6
140.04271	0.6
140.82912	0.4
144.95035	0.4
150.71716	0.4
151.11259	0.7
154.06366	31.7
155.06717	0.5
167.14432	10.2
173.79254	0.5
179.10785	5.4
182.05856	2.9
183.13928	0.6
185.15524	0.5
195.13908	100.0
196.14272	4.0
219.25333	0.4
223.02870	1.4
239.06787	4.1
239.12860	6.2
239.16423	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
57.03457	13.5
59.01386	1.4
64.76823	0.6
67.01893	2.8
69.03447	2.8
71.05016	2.1
73.83050	0.7
74.12155	0.7
77.32903	0.7
80.02675	1.2
81.03473	5.6
83.01399	4.2
83.05030	22.6
84.02178	7.8
84.68385	0.7
85.02956	100.0
86.03299	1.4
93.03513	1.1
95.05063	0.9
97.02955	5.2
97.06628	0.9
108.02212	1.1
109.06604	2.4
110.03737	1.3
116.95660	0.7
123.03159	0.8
123.08208	1.3
125.09734	1.8
136.05270	0.8
142.02780	1.7
153.09254	0.7
155.10811	6.4
163.11258	1.1
171.10274	5.7
175.11098	0.8
177.12822	3.6
179.10593	1.1
191.89169	0.8
193.12331	6.1
195.10231	0.8
195.13878	4.5
211.13377	1.7
221.11838	34.2
222.12175	1.4
223.02849	1.5
239.12903	87.4
240.13214	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	239.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.8
57.03228	0.9
57.03458	12.4
58.43301	0.6
59.01390	1.1
67.01889	1.8
69.03450	1.7
69.04114	2.1
69.04521	4.7
71.01385	1.0
71.05015	1.3
71.40675	0.8
79.78506	0.7
80.02694	0.8
81.03462	4.3
83.01403	4.2
83.05033	20.7
84.02171	6.4
85.02959	96.0
86.03284	1.0
95.05014	1.6
97.02953	5.2
97.06600	1.1
98.22484	1.3
108.02132	0.8
109.06615	3.6
110.03713	1.7
123.04482	0.8
124.57237	0.8
125.09721	1.1
127.11362	1.0
136.05305	1.2
142.02728	2.7
155.10803	5.6
171.10287	4.0
177.12856	4.4
179.42529	0.7
193.12361	6.7
195.13860	5.2
197.39090	0.8
203.10788	0.7
211.13324	1.6
221.11836	48.4
222.12195	2.2
239.12900	100.0
240.13254	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	240.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.2
69.23428	4.6
75.48122	0.6
75.57391	0.7
78.03497	6.1
80.05063	68.1
81.05370	0.8
85.02950	2.8
94.03002	1.1
96.04560	21.8
96.05180	1.2
99.65298	0.6
110.06126	100.0
111.06486	1.4
127.09148	0.6
147.60674	0.7
178.08752	2.2
196.09801	41.6
197.10159	1.4
222.07764	1.2
240.08797	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	240.088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58058	0.7
59.01377	4.8
70.42372	1.6
78.03502	5.6
80.05064	71.0
81.05400	1.0
85.02960	2.5
92.15771	0.7
94.03021	1.4
96.04564	21.1
109.55580	0.7
110.06126	100.0
111.06474	1.7
146.95497	0.7
178.08798	1.6
194.73532	0.6
196.09811	42.0
197.10156	1.2
198.65434	0.7
222.07594	1.2
240.08806	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	241.1083
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
54.01331	1.3
57.03440	6.3
59.01385	55.8
69.03457	2.2
72.99322	8.9
78.91870	1.9
80.82931	1.4
83.05032	2.2
85.02956	2.9
88.44711	1.2
89.82674	1.4
93.07101	6.1
95.05050	1.5
97.56040	1.3
98.21741	3.7
99.03365	1.4
107.08657	2.3
109.06620	4.0
119.08682	15.5
121.06567	1.3
135.08186	9.6
135.11775	3.6
137.09767	7.0
138.29489	1.6
153.09206	3.7
163.07664	9.4
179.10791	30.4
181.08716	27.9
197.11852	6.6
199.09770	100.0
200.10089	1.7
223.09808	2.4
226.07384	1.6
241.07095	1.9
241.10851	19.1
241.21861	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	241.1083
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
59.01372	3.3
68.70538	0.8
69.03468	0.8
71.01373	2.2
73.02932	3.1
79.95695	1.1
87.00887	2.3
91.86533	0.8
93.43393	0.7
97.06560	0.9
98.21746	1.8
125.09726	2.3
131.90408	0.7
151.11247	2.1
153.09219	1.6
155.10744	1.3
158.16667	0.8
165.09254	1.3
169.12346	100.0
170.12698	3.6
179.10757	3.2
181.08725	2.4
183.10301	2.1
197.11829	19.5
209.04927	0.9
223.09802	7.4
241.05408	1.3
241.10838	36.0
241.21744	0.9
242.11121	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	241.1085
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
51.45126	0.7
57.03462	1.1
57.67924	0.8
59.01382	9.6
66.30759	0.6
70.26575	2.3
71.01376	1.4
87.00878	5.6
94.03004	2.9
135.11844	1.6
137.09741	2.9
151.11249	1.7
153.12790	1.0
169.12366	100.0
170.12729	2.3
179.10786	10.0
181.08760	6.4
195.10307	1.3
197.11862	20.3
198.12144	0.9
199.09671	1.4
205.08775	0.7
207.78708	0.8
209.71288	0.7
223.09755	2.1
241.05547	1.5
241.10844	39.3
241.21857	1.0
242.08441	0.9
242.10999	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	241.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	8.2
60.43435	0.7
65.12266	0.6
66.12676	0.6
69.03456	1.7
69.10769	6.0
69.75677	0.7
71.60234	0.6
75.30122	0.6
83.05000	1.0
87.00882	4.8
87.01310	0.8
87.15349	0.7
88.63537	0.7
91.31768	0.7
94.02991	3.8
98.21770	1.5
135.11786	1.2
137.09743	2.5
143.36856	0.7
150.05658	0.7
151.11319	1.7
153.09216	1.0
163.07610	0.7
169.12354	100.0
170.12674	3.4
179.10796	9.6
181.08707	7.1
197.11839	18.7
198.12157	0.9
199.09859	0.9
223.09830	1.8
241.10838	33.9
242.11247	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1084
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
57.03439	1.2
59.01374	1.5
59.72380	0.8
66.62605	0.9
69.02921	0.8
69.03463	3.0
69.05084	6.5
69.05508	2.3
71.05022	4.0
73.02979	1.0
86.13259	0.8
87.00887	2.4
94.03020	1.1
97.06602	1.0
98.21704	1.6
107.03786	1.1
112.47222	0.8
123.08186	1.5
125.09737	2.2
129.13051	0.8
153.12892	3.7
161.09747	1.2
169.12489	1.0
179.10786	6.6
197.11844	100.0
198.12244	4.0
223.09792	6.3
241.10864	46.3
241.14607	1.6
241.21851	1.2
242.11142	1.0
260.08823	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1084
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
53.73277	0.5
54.36540	0.6
57.03444	1.6
69.03465	2.8
69.11256	4.5
69.41203	0.5
71.01409	0.6
71.05029	4.3
83.05034	0.7
84.10884	0.5
92.16611	0.5
97.06579	0.5
105.32356	0.5
123.08184	1.2
125.09726	2.0
140.41444	0.4
151.11229	1.2
153.12881	3.1
156.58200	0.5
161.09785	0.9
170.28636	0.5
179.10786	7.2
197.11841	100.0
198.12164	3.9
223.09848	3.1
241.10822	61.6
242.11168	2.2
256.59357	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43440	0.8
57.03455	2.3
59.01387	27.4
70.34976	2.9
72.99317	4.6
77.65633	0.9
78.91905	3.1
83.83064	0.8
85.02959	1.0
93.07122	5.2
94.02999	5.8
107.03783	100.0
109.01740	1.1
109.06644	1.9
117.07220	0.9
119.08670	11.9
135.08157	7.4
137.09715	1.1
139.02771	12.9
147.04500	5.1
153.09242	1.3
163.07669	5.6
179.10803	2.4
180.10378	1.1
181.08723	9.1
189.08862	0.9
197.11859	2.3
198.09265	13.9
199.09773	78.4
200.10117	3.2
219.10619	0.9
223.09843	1.5
233.17979	0.9
241.10759	4.5
242.08313	7.6
247.83003	1.0
252.96576	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
63.49432	0.3
67.07238	0.3
69.23009	1.9
69.23415	0.7
72.04279	0.3
94.02990	5.3
107.03779	100.0
108.04142	1.7
109.01719	0.4
114.48057	0.3
126.19244	0.3
139.02759	8.7
147.04535	5.8
164.68373	0.3
194.41895	0.3
198.09262	13.1
199.09596	0.8
200.13010	0.3
242.08249	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	242.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61182	1.5
69.61592	0.5
80.51366	0.3
92.98348	0.3
94.02990	5.0
95.95615	0.3
97.90363	0.4
98.22507	0.4
107.03777	100.0
108.04118	1.4
109.01713	1.0
109.06641	0.4
139.02762	17.0
147.04524	6.1
198.09254	15.4
199.09610	0.5
207.10298	0.8
225.11328	0.7
242.08231	8.8
242.10344	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.9
65.03960	1.9
67.01877	1.3
69.03457	1.0
71.01382	1.1
71.03443	0.9
71.03778	0.7
81.03471	3.4
82.02995	1.4
83.05041	8.7
87.00887	100.0
87.28255	0.7
88.01235	1.3
93.03468	37.4
94.03799	0.8
109.02982	1.4
110.02499	2.8
111.04536	11.8
115.81605	0.6
118.71810	0.6
121.02959	2.5
137.02466	27.5
155.03531	5.7
155.07080	0.8
199.06148	3.0
200.05638	1.6
204.10017	0.6
225.04080	1.3
243.05098	37.5
244.05423	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89930	1.1
59.10074	1.1
61.35233	1.2
69.33743	6.3
69.34167	3.2
71.01385	1.5
82.03008	4.9
83.05050	2.6
86.25708	1.2
87.00883	100.0
93.03468	9.6
96.96042	1.9
98.21834	2.2
110.02499	14.3
111.04527	8.6
122.02447	1.4
137.02444	3.9
149.33261	1.3
155.03572	1.7
200.05699	4.8
243.01807	4.1
243.04918	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	243.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66107	1.2
59.73561	1.5
69.53782	4.0
69.54188	3.8
72.67018	1.2
75.12892	1.3
75.39311	1.2
83.05055	1.6
87.00885	100.0
92.62479	1.3
93.03461	9.5
111.04530	8.1
137.02467	4.8
175.61111	1.3
181.85199	1.1
184.38480	1.2
243.05118	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0622
Annotation	Uridine
Peak:m/z	Relative Intensity
52.07167	1.0
57.03469	1.0
57.58410	0.9
59.01389	1.2
62.32014	0.9
66.03492	14.7
68.01418	2.8
69.47974	6.6
71.01366	1.7
71.29855	1.0
74.64864	1.1
82.02988	28.8
83.01397	1.4
86.44582	1.1
87.00911	5.4
89.02486	1.0
93.03458	2.1
94.02996	2.9
96.04540	2.0
97.31332	1.0
99.57507	1.0
101.02454	1.5
108.04546	1.8
110.02485	100.0
111.02010	6.5
111.02762	2.2
122.02488	7.8
123.93725	1.2
124.04063	2.2
137.02464	1.1
137.66023	1.0
140.03564	11.4
152.03539	19.6
153.03038	8.6
154.97203	1.0
157.03581	1.8
183.01482	3.8
200.05678	36.6
237.56738	1.0
240.02388	1.0
243.01834	1.4
243.06320	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	243.1028
Annotation	Linderalactone
Peak:m/z	Relative Intensity
59.01426	0.2
68.87116	0.2
85.00423	0.3
127.49863	0.2
161.25311	0.2
185.06067	1.3
186.06793	0.3
199.07664	2.6
200.08397	0.8
212.04768	0.3
213.05594	8.5
214.06247	1.0
215.10776	11.8
216.11154	0.5
227.07162	6.0
228.07930	20.1
229.08322	0.9
241.08754	0.2
243.10265	100.0
244.10597	5.2
260.06851	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.124
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
57.03455	35.8
58.02966	4.4
59.01381	6.8
69.03461	6.7
71.05028	6.4
71.29349	1.6
71.29774	2.5
83.05027	2.6
85.02922	1.9
85.79856	1.6
86.32191	1.8
87.00896	3.6
93.07114	11.0
97.06573	3.0
99.04563	1.7
101.02454	100.0
102.14139	1.9
107.08694	2.0
110.02532	2.3
125.06116	5.7
125.09721	1.8
132.04572	2.3
133.10252	65.4
134.10587	2.8
137.09724	2.4
142.50793	1.6
143.07150	4.2
151.11305	3.5
160.01744	1.6
177.09196	4.2
181.08635	2.2
181.12387	7.7
183.11432	5.1
194.87675	1.7
199.09723	3.5
201.12482	4.8
225.11334	7.0
243.08627	6.1
243.12502	22.0
243.17094	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	243.124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.6
59.01385	69.5
60.09415	1.2
66.11351	1.3
68.20521	1.4
69.03422	2.6
71.01355	2.1
71.05014	2.2
71.22123	1.4
71.29408	2.4
72.99324	9.5
95.05010	1.4
97.06599	1.9
108.25340	1.4
109.06593	2.8
111.04514	2.2
111.34496	1.4
113.50222	1.7
121.10198	1.5
125.06100	3.3
137.09753	1.9
139.11308	2.8
155.10762	3.9
161.04802	1.9
171.10223	3.5
181.12283	1.9
183.10278	57.3
184.10605	2.3
197.11861	1.5
199.09764	3.1
199.13542	1.4
201.11340	100.0
202.11693	2.6
207.10222	3.2
225.11324	8.1
243.02989	1.7
243.12344	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	243.1239
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
55.01870	0.4
57.03445	0.5
59.01381	0.4
69.61039	2.4
71.05024	3.6
83.05025	1.4
83.52081	0.4
91.06175	0.3
95.05024	0.4
96.04558	0.6
97.02950	4.9
97.06591	2.0
98.22536	0.5
98.44717	0.5
99.00887	20.9
109.06612	1.4
110.03751	1.5
110.83414	0.5
123.08144	1.0
125.09733	6.6
135.08174	0.8
136.05351	0.9
142.02739	1.4
155.14423	2.0
163.11301	8.2
164.11623	0.4
179.10945	0.4
181.12357	19.8
182.12817	0.6
195.56259	0.4
197.11896	0.6
199.13399	12.9
200.13789	0.5
207.10280	43.3
208.10570	1.9
225.11337	80.1
226.11647	3.4
243.12379	100.0
244.12704	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	243.1239
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
57.03470	1.3
59.01389	3.9
63.91526	0.9
64.68285	1.0
71.05031	5.9
71.28870	1.1
71.29262	1.2
73.81940	1.0
76.75281	1.0
83.05053	1.5
96.04576	1.7
97.02943	6.2
97.06612	1.7
99.00895	25.4
99.81667	1.0
105.88548	1.1
109.06630	2.0
110.03740	2.3
125.09745	7.8
135.11845	4.0
136.05193	1.1
142.02736	2.6
155.14464	2.3
160.04109	1.8
161.04863	2.0
163.11290	10.7
181.12350	29.4
182.12668	1.2
197.11932	2.3
199.11720	1.2
199.13408	23.8
207.10278	58.2
208.10622	2.2
209.11874	5.5
225.11339	100.0
226.11729	5.3
243.12428	88.4
243.16029	1.5
244.10477	1.1
244.12773	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	244.098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34620	0.2
61.32091	0.2
66.03473	0.5
69.94124	0.2
73.31165	0.2
78.03494	4.9
82.83727	0.2
94.03005	2.4
94.47968	0.2
96.04560	100.0
97.04900	1.4
122.02485	1.6
128.49239	0.2
147.04538	4.8
182.12843	0.2
203.08408	0.2
206.55484	0.2
208.10495	0.3
215.77031	0.2
244.07356	0.5
244.09799	6.3
244.12492	0.2
245.11919	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0127
Annotation	3-(3-sulfooxyphenyl)propanoic Acid
Peak:m/z	Relative Intensity
59.01378	1.8
69.23669	3.6
69.24075	1.0
73.02948	1.2
74.02507	0.6
79.95739	14.0
91.05534	1.0
93.03493	0.9
93.07053	0.6
96.96033	0.7
106.04255	0.8
107.05058	1.7
109.01717	1.1
113.06133	0.6
116.05150	0.6
119.05038	50.3
120.05379	1.2
121.02983	3.4
121.06605	63.4
122.06939	2.1
125.09703	0.6
137.06096	0.7
141.09218	1.1
161.42702	0.7
165.05582	78.1
166.05919	2.2
175.02814	0.9
176.03490	2.0
183.06650	0.6
183.10219	0.5
191.32965	0.5
201.11357	1.1
245.01260	100.0
245.08167	1.7
245.14082	2.7
246.01599	3.5
246.07640	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	245.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48944	1.0
59.01359	2.1
65.03972	1.5
69.03448	6.6
74.02482	2.2
91.03851	1.1
91.05548	6.5
93.07065	2.3
96.04556	1.5
106.04237	2.7
112.70752	1.1
116.05043	1.1
117.07097	2.2
119.05031	2.0
119.08672	3.1
121.76089	1.1
123.17892	1.2
128.55615	1.0
131.08661	8.5
133.10231	23.8
147.08145	3.6
148.08942	2.9
159.04337	1.2
163.03833	6.1
163.07600	2.0
173.09431	1.6
177.09148	3.6
185.05832	4.1
187.07262	1.3
189.05403	2.3
189.09042	1.4
199.07431	30.6
201.09023	9.3
203.02509	1.3
203.06873	5.0
203.08528	1.8
213.05328	2.4
215.06921	18.2
217.08434	1.2
219.10085	2.3
233.07971	100.0
234.08334	2.8
245.07945	85.9
246.08286	3.3
253.72560	1.6
256.91507	1.1
263.08990	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	245.0933
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
57.11514	0.8
58.02691	1.2
58.02980	23.2
64.83082	0.9
64.88461	0.9
69.29572	4.7
70.02986	17.5
72.00903	4.3
72.04554	3.9
74.02480	100.0
98.02486	24.4
98.21819	2.1
116.03550	28.7
116.05068	32.5
117.05406	1.0
127.41904	0.8
130.06627	4.2
142.06621	8.9
159.09274	5.6
161.04810	0.9
183.09320	2.3
186.05649	2.3
201.10362	9.5
203.08272	95.5
204.08543	2.2
245.09323	78.9
246.09532	2.4
246.50639	0.9
253.50481	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	24.2
59.01386	1.1
63.29427	0.3
64.49226	0.3
70.02989	16.5
70.51182	0.3
71.01355	0.3
71.29568	0.4
72.00917	5.5
72.04555	3.7
74.02483	100.0
75.02829	0.6
83.67590	0.3
84.04562	0.6
86.02480	0.4
98.02491	25.6
111.03281	1.2
113.90310	0.3
116.03567	28.2
116.05074	36.6
117.05431	1.1
130.06657	4.9
139.11328	0.6
141.09286	0.4
142.06642	8.8
156.08223	0.8
158.06117	0.5
159.09294	6.2
160.02576	0.9
161.04849	0.5
171.10387	0.4
183.09230	1.8
184.07700	1.3
186.05595	2.1
201.10345	9.6
202.08849	0.8
203.08278	87.3
204.08629	3.0
215.58704	0.3
245.09329	69.1
246.09674	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	245.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89624	0.2
59.35937	0.2
69.55319	1.5
105.79813	0.3
120.91006	0.3
145.25601	0.2
159.04536	0.5
171.08148	0.5
186.10481	0.3
187.04057	0.7
187.07693	0.6
188.04764	0.3
200.04643	0.3
201.05661	1.2
202.06351	1.7
211.07658	1.0
212.08430	1.6
213.09238	1.4
214.06381	0.6
215.07141	62.6
216.07463	3.1
227.10800	4.1
228.11481	0.7
229.08711	22.8
230.09489	72.1
231.09853	3.4
245.11845	100.0
246.12187	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	245.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
71.29450	0.3
74.52731	0.2
80.86829	0.2
113.01148	0.2
171.75522	0.2
172.80264	0.2
173.06140	0.4
187.03990	1.1
201.05585	10.7
202.06372	100.0
203.06741	4.0
224.22467	0.2
245.11842	15.0
246.12184	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47830	0.4
59.01384	45.3
66.48237	0.5
71.05049	0.5
71.29562	0.8
74.02457	1.1
95.60790	0.6
116.03546	0.5
116.05070	0.7
120.91505	0.5
127.11301	5.2
139.11282	1.5
155.10774	3.1
157.12349	20.0
158.12708	0.6
185.11845	17.6
201.11369	0.5
203.12889	100.0
204.13177	3.2
245.09348	1.1
245.11856	1.0
245.14008	3.5
267.87619	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0646
Annotation	EX-527
Peak:m/z	Relative Intensity
52.18343	0.2
57.25396	0.2
59.01377	0.3
64.57534	0.2
65.36179	0.2
65.60463	0.2
67.06409	0.2
69.14886	1.9
79.95692	1.6
84.02148	0.6
92.48211	0.2
95.95208	0.2
96.96014	41.1
111.08159	1.1
112.90613	0.3
115.07282	0.2
118.64891	0.2
122.97603	0.4
149.09721	0.6
156.76509	0.3
159.04506	0.4
160.05305	0.4
163.31575	0.2
167.10764	1.1
168.15529	0.2
173.08192	0.8
173.09644	0.3
173.60223	0.2
187.04002	0.8
188.03455	0.3
203.10739	0.3
235.96684	0.2
247.06444	100.0
248.06786	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	247.134
Annotation	[R-(E)]-6-(4-Formyl-3-cyclohexen-1-yl)-2-methyl-2,6-heptadienoic acid
Peak:m/z	Relative Intensity
55.92612	0.6
57.03451	0.8
59.01418	0.8
65.47277	0.6
66.53831	0.6
69.09872	1.3
69.10204	5.9
79.05535	0.9
81.03468	3.2
83.05040	0.7
95.05045	0.6
95.08690	0.7
97.06607	4.1
105.07086	0.7
107.05045	1.2
119.08665	3.0
121.06599	14.1
121.10247	3.9
135.08138	0.7
137.09735	100.0
138.10063	2.9
139.11150	0.6
147.08174	41.5
148.08569	0.7
161.13373	1.6
171.08136	1.0
179.10805	1.0
185.13364	1.0
187.11292	12.9
187.12865	1.1
199.11311	0.7
200.20314	0.6
203.14418	70.2
204.14790	2.8
219.10136	1.3
229.05951	0.6
247.09822	4.6
247.13408	96.1
248.13753	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	247.1704
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
59.01376	0.2
60.87255	0.1
69.31937	0.9
69.94078	0.1
89.02486	0.1
97.12101	0.1
98.21801	0.3
121.02942	0.2
126.23792	0.1
179.07069	0.2
205.15982	0.3
206.41208	0.1
210.66629	0.1
220.17049	1.5
231.13953	0.7
235.41499	0.1
247.17032	100.0
248.17374	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	249.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99309	0.3
59.01371	1.2
71.01376	1.3
71.28319	0.6
72.51062	0.4
72.99314	1.5
73.02943	0.7
77.01350	0.3
77.64398	0.3
79.10213	0.3
84.04558	2.0
85.02967	0.9
87.00883	100.0
88.01213	0.6
92.26942	0.4
101.02450	0.5
111.00836	0.6
113.11618	0.3
132.29454	0.4
133.48242	0.4
151.09906	0.4
153.00482	0.4
164.32541	0.4
195.58296	0.4
205.11018	0.8
245.38304	0.4
249.09897	1.3
249.14996	0.5
250.14432	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	249.1497
Annotation	Sch 601254
Peak:m/z	Relative Intensity
57.03450	1.6
59.01380	12.2
68.67111	1.2
69.03086	2.6
69.03462	45.0
83.05032	3.7
93.03456	2.2
95.05037	4.8
97.06591	2.4
107.17459	1.4
109.06594	1.8
111.08156	2.8
119.05000	1.9
121.02917	1.9
121.23586	1.4
123.08170	1.4
149.09682	1.9
149.13367	3.6
151.11272	1.5
161.13411	2.1
167.10767	4.4
171.10298	1.7
177.01797	1.4
179.10692	2.4
187.14897	6.1
193.12360	8.0
203.14461	2.2
205.12329	12.2
205.16002	14.5
221.15445	20.7
231.13916	36.1
234.11296	1.9
248.97385	1.7
249.14980	100.0
249.79982	1.9
250.14528	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1498
Annotation	(1R*,3Z,7E,11R*)-(-)-7,10,10-Trimethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene-3-carboxylic acid
Peak:m/z	Relative Intensity
80.02666	1.3
80.15469	0.9
94.04272	0.9
95.04509	0.9
95.05032	5.7
98.21701	1.9
100.54539	1.0
111.08180	1.1
121.06648	2.1
123.08176	2.6
135.08133	1.9
137.09729	10.7
149.09711	2.0
158.55450	1.0
163.11287	1.1
171.11830	3.5
187.14952	12.7
187.16528	1.5
188.15324	1.0
189.12898	3.4
203.14438	3.9
205.15991	32.1
206.16463	1.2
233.76897	1.1
234.11185	1.4
248.97299	1.1
249.14978	100.0
250.14503	29.8
261.69714	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.186
Annotation	roughanic acid
Peak:m/z	Relative Intensity
58.92620	0.7
59.01376	3.4
59.61595	0.7
98.21768	2.5
107.91638	0.8
113.23159	0.7
123.77156	0.7
124.26696	0.7
133.42938	1.1
137.87747	0.8
166.62639	0.7
183.02728	0.8
205.12331	1.2
205.16028	1.2
205.19656	1.2
218.11877	1.1
231.17581	1.2
234.11365	1.1
249.14952	2.9
249.18619	100.0
250.14528	22.2
250.18730	5.4
262.34445	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.5
65.64860	0.5
70.02975	1.0
71.01384	6.6
71.30120	0.8
81.16241	0.6
82.30246	0.5
88.04048	88.7
89.04420	0.9
91.05540	2.6
94.02972	0.6
109.03613	0.5
111.85152	0.8
114.01981	4.9
115.00381	14.4
123.31847	0.5
131.27036	0.5
132.03041	100.0
133.03381	1.6
134.06242	0.7
135.04547	4.9
147.04565	0.9
177.77776	0.5
191.03484	1.2
206.08246	2.0
212.60669	0.6
218.11938	0.9
232.06108	0.7
234.11414	1.3
250.07228	16.8
250.14488	26.6
251.14929	0.8
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	Unknow
Peak:m/z	Relative Intensity
59.01387	58.0
69.09602	18.0
72.99306	8.6
75.07618	2.1
78.79270	1.9
89.07281	1.8
95.11660	2.0
98.21696	3.3
103.05589	2.7
119.05047	7.6
132.21085	1.8
135.04523	2.0
147.04543	100.0
148.04868	3.7
165.05580	72.7
166.05865	1.9
207.06708	5.3
218.50060	2.0
251.07140	2.3
251.14830	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	251.1292
Annotation	Sch 642305
Peak:m/z	Relative Intensity
59.01379	5.5
81.03460	7.8
83.05036	10.0
97.02956	6.5
99.58517	2.5
106.45015	2.5
110.03751	12.7
123.04536	9.0
123.08202	4.6
135.07182	4.2
135.08141	26.0
136.05304	5.3
142.02747	18.8
155.32141	3.2
169.66365	2.6
187.94940	2.9
189.12869	30.6
191.10854	3.0
192.51842	2.9
205.12360	3.4
207.13896	15.5
233.11844	71.9
251.12859	100.0
251.14935	31.1
252.13348	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	252.088
Annotation	1-Acetyl-N-salicyloyl-2-aminopropan-3-ol
Peak:m/z	Relative Intensity
59.01386	3.3
62.16131	0.7
71.01393	0.9
71.29089	1.0
72.00917	6.7
72.99341	1.7
74.02480	100.0
86.02485	2.0
90.04500	0.9
91.05556	2.8
96.17281	0.7
104.03548	18.5
117.50790	0.8
119.05037	4.0
121.02979	2.0
121.06639	1.1
146.20982	0.7
147.04530	11.8
148.07707	3.2
161.06064	1.6
163.03995	2.7
164.07169	15.3
165.07510	0.9
176.02834	0.7
178.08803	0.8
181.33981	0.9
190.08681	1.3
192.06700	1.2
204.06752	1.0
208.09830	3.1
222.07729	37.6
246.32336	0.7
252.08788	48.3
253.09134	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	253.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80307	0.9
55.62037	0.7
59.01389	6.5
69.03437	1.0
71.01398	4.6
71.27926	0.8
71.28303	1.4
73.02940	3.0
75.00874	2.1
78.95917	1.7
80.92076	0.8
83.01380	1.2
85.02984	1.1
89.02449	0.9
93.03462	1.9
94.03029	1.3
101.02458	3.2
108.02177	1.2
109.01701	17.2
113.02445	2.1
117.03466	8.4
119.05039	100.0
120.05352	3.1
121.02971	68.4
121.25909	0.9
122.02491	1.4
122.03300	1.9
124.04065	11.2
131.03564	1.2
131.05017	1.4
132.05830	2.0
133.06573	2.6
134.03802	5.4
145.02971	24.4
149.06062	1.4
150.03166	1.5
161.04874	0.9
161.06071	4.4
163.04024	60.3
164.04367	1.8
177.05569	0.9
181.05016	2.4
191.07149	9.5
193.05054	2.2
205.05080	1.0
210.07683	4.2
211.06195	4.6
235.06126	10.3
253.07117	1.3
254.06705	3.9
254.21872	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1446
Annotation	Russulanorol
Peak:m/z	Relative Intensity
57.03456	63.4
59.01368	8.5
67.58479	2.8
69.03452	5.5
70.52364	2.4
71.01378	3.1
71.05011	12.0
74.13644	2.4
81.03459	2.9
81.20886	2.6
83.05022	3.5
89.02449	5.7
93.07094	3.9
97.06623	5.5
101.02416	4.7
111.08161	8.1
115.03924	2.9
121.02995	5.2
125.09734	14.7
139.11310	19.3
151.11253	8.4
165.12810	6.1
183.10252	3.2
191.14424	54.0
193.12340	3.0
209.15475	12.6
213.55702	2.7
223.88541	2.4
228.75139	2.6
235.13394	39.2
253.08911	7.4
253.14444	100.0
253.18077	10.7
254.14688	5.2
273.21616	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	253.1448
Annotation	Russulanorol
Peak:m/z	Relative Intensity
51.10738	0.6
59.01388	0.7
60.97469	0.8
64.08413	0.5
67.48495	0.5
69.53082	3.5
80.02676	0.6
81.03464	1.8
83.05042	4.1
95.05069	0.7
97.02950	0.7
99.00909	0.6
109.06596	1.9
110.03758	4.5
123.04549	1.5
127.00590	0.6
136.05296	1.2
138.00577	0.6
139.39127	0.6
142.02715	3.7
153.12857	1.0
163.11313	0.7
177.40755	0.6
191.14409	4.0
199.35423	0.6
201.31023	0.6
207.13820	0.9
209.15504	16.5
217.12408	0.9
225.15062	1.1
235.13417	100.0
236.13741	4.4
253.14476	65.2
254.14764	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	253.1811
Annotation	Chrysanthetriol
Peak:m/z	Relative Intensity
51.74190	1.8
59.01373	5.3
59.45106	2.1
69.10471	15.1
69.10886	2.8
70.54034	1.7
89.02438	2.1
100.03186	1.8
106.26307	2.1
155.32693	1.9
164.96396	2.0
167.13968	1.6
171.10274	2.1
191.18010	2.5
195.13905	30.4
209.15532	2.9
235.17020	29.3
253.18100	100.0
254.18468	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	254.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79118	0.7
53.61205	0.7
59.01374	2.2
67.01892	0.7
73.56921	0.7
82.02978	0.6
85.02966	2.0
85.73318	0.6
88.12686	0.6
94.02987	3.8
95.52497	0.6
97.17385	0.6
101.02440	1.2
106.06716	0.8
109.01705	83.1
110.02515	16.5
111.00887	2.6
122.02487	3.6
122.06225	0.6
123.03297	1.5
124.04054	100.0
125.04381	2.4
126.05627	1.7
129.01917	0.8
134.06136	3.9
135.04430	0.7
136.04070	3.1
137.04799	1.0
141.00676	1.3
143.03500	2.0
148.07681	0.6
150.05678	3.3
151.06332	0.8
155.02277	2.8
160.04117	0.8
166.08757	3.0
178.05132	6.9
192.06699	2.2
210.07758	11.8
220.23322	0.6
222.04129	3.1
254.06703	13.3
255.07129	0.8
255.23431	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	254.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.7
69.03457	1.2
69.37071	4.3
71.01379	2.1
72.99317	2.6
78.95911	7.2
82.91584	0.6
85.02963	1.7
88.92867	0.5
94.02991	7.8
100.31130	0.5
101.02406	0.7
106.06669	0.6
109.01706	84.0
110.02527	14.2
111.00862	2.1
112.04067	1.5
113.02467	1.2
117.00463	0.7
119.05013	0.9
120.05383	1.5
121.02980	1.5
121.28825	0.6
122.02483	2.5
122.03323	1.3
122.06079	0.6
123.03317	1.9
124.04053	100.0
125.04404	2.1
126.05611	4.4
126.90543	1.3
129.01933	1.1
133.05370	0.7
134.06157	4.5
136.04048	2.6
138.05609	0.7
141.00729	1.4
143.03497	0.8
148.07681	1.0
150.05589	3.0
151.06395	1.0
152.91753	1.3
155.02269	2.5
159.01517	1.1
166.08762	2.5
167.90446	0.8
172.99454	2.3
178.05090	7.5
179.08299	0.8
192.06705	2.2
194.94051	1.2
210.07732	11.2
211.04604	1.4
222.04114	2.4
223.07327	0.9
254.06702	15.9
254.95853	0.6
255.03693	1.4
255.09856	1.2
255.23312	7.5
265.07251	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54319	1.4
59.18521	1.2
67.31693	1.4
69.52058	7.5
78.95905	5.0
84.24398	1.3
93.03462	1.3
95.01399	1.8
95.04977	1.3
96.96014	1.9
98.02461	6.0
108.02180	5.0
109.02982	11.9
111.03275	2.9
120.02150	7.3
123.04511	4.1
126.05616	9.7
135.04558	1.9
136.01688	2.3
138.03230	1.5
142.56155	1.2
148.01677	43.9
148.02867	2.3
149.02303	1.8
152.01210	3.3
152.91759	4.3
153.02002	2.0
153.05582	41.3
163.04025	22.7
165.01958	3.4
166.02760	5.7
167.03474	6.0
181.05054	9.4
192.00606	3.3
194.92876	5.2
196.03909	1.8
207.03015	8.2
210.01672	2.6
212.09418	1.3
219.84509	6.4
225.04066	64.9
226.04488	1.7
238.96974	1.5
255.05118	49.3
255.09569	1.8
255.23314	100.0
256.05643	2.4
256.08127	2.7
256.23468	1.8
261.22791	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	255.0888
Annotation	N-Acetoxy-IQ
Peak:m/z	Relative Intensity
55.78056	0.3
57.37994	0.3
59.01371	0.5
62.71998	0.3
71.31275	0.6
88.06639	0.3
89.86217	0.3
98.02493	0.5
102.15233	0.4
112.48376	0.3
132.38535	0.3
144.08211	0.8
149.09712	0.3
169.06454	0.5
173.80110	0.3
184.08800	0.8
196.07564	0.9
197.05959	6.2
211.07521	0.3
211.09741	0.6
212.08295	7.4
212.10316	0.6
229.04865	1.5
240.06538	14.5
240.08983	0.7
241.06668	0.5
255.08882	100.0
255.23286	8.0
256.09171	4.3
272.05585	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	255.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.6
57.82838	0.7
69.03463	58.6
69.61288	2.4
69.61700	1.5
71.01389	10.4
71.05029	6.5
73.02925	0.7
81.03436	1.8
83.05038	2.5
89.71736	0.6
95.01398	0.9
95.05029	3.7
97.02970	1.5
97.06587	5.1
107.05027	1.8
108.02178	1.4
109.02981	1.2
109.06599	1.8
111.04534	2.7
121.06571	2.8
123.08176	31.8
124.08514	1.3
125.09737	18.9
133.06613	1.0
135.08148	1.0
137.08754	1.2
137.09732	13.6
140.69612	0.7
149.09753	4.1
151.07643	1.0
151.11324	5.2
161.09740	10.0
177.09117	0.8
179.10796	100.0
180.11157	3.8
198.03210	0.8
211.13412	11.4
219.84615	2.2
223.09734	5.2
227.07254	1.4
237.15045	3.4
255.06851	3.1
255.12415	32.4
255.16203	1.4
255.23302	9.6
256.07391	1.4
256.12769	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2331
Annotation	2-Hexyldecanoic acid
Peak:m/z	Relative Intensity
52.95952	0.6
61.22122	0.6
69.12592	2.6
69.13008	3.8
70.42464	0.7
70.65160	0.7
74.84538	0.7
96.59092	0.7
111.64956	0.7
116.86439	0.6
127.66394	0.8
166.17946	0.7
175.66528	0.7
202.40273	0.7
219.84560	4.2
219.86446	0.7
230.60155	0.7
255.23322	100.0
256.23654	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	256.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.5
57.03433	1.7
59.01386	1.9
59.37016	1.3
68.20066	1.3
69.03452	3.1
71.01350	2.3
71.05017	5.3
71.29825	1.7
72.04552	12.7
72.99324	8.0
78.95891	1.6
82.02992	40.2
82.38884	1.3
83.01386	4.1
83.05036	1.9
84.00909	4.4
84.04538	3.7
89.42516	1.3
93.02960	1.9
93.03456	8.2
94.03002	4.3
95.03320	2.7
96.04556	1.7
96.96037	1.5
98.02486	33.1
98.06133	18.0
99.00893	2.4
100.04057	17.8
107.05018	1.5
108.04578	2.2
110.02480	4.0
110.06121	3.9
111.04514	4.2
112.04041	3.3
113.06079	1.7
119.87850	1.5
121.06635	2.0
124.04063	4.0
126.01994	6.4
126.05632	12.8
126.09276	3.2
128.03563	9.2
128.07188	20.0
129.35860	1.5
140.10820	8.8
148.07727	13.4
150.08101	2.9
150.09258	37.0
154.05066	3.2
166.08723	6.0
168.10301	7.3
174.95567	1.7
184.09782	10.1
194.08185	4.1
195.21053	1.5
210.07732	29.6
212.09288	36.2
213.00768	2.5
228.08771	10.3
255.23265	14.8
256.08267	100.0
256.23624	14.1
257.08469	3.4
271.45190	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	257.0821
Annotation	Emmotin D
Peak:m/z	Relative Intensity
55.54565	1.4
58.72041	1.3
62.84206	1.5
71.30491	3.2
108.56445	1.8
114.98115	1.4
143.05087	2.2
144.69170	1.6
145.02989	2.2
158.03741	12.1
159.04527	3.6
160.01617	2.4
161.02556	1.8
171.04568	7.8
172.05333	4.9
173.02458	20.1
173.05995	1.7
174.03194	3.3
176.01134	3.6
183.04512	4.5
184.05238	2.4
185.02332	1.7
186.06921	1.9
187.07646	17.9
199.04037	27.8
200.04802	8.7
201.05574	3.7
201.09177	2.1
213.01820	1.9
213.05624	1.9
213.09274	8.7
215.07141	6.5
227.03470	16.1
228.04288	100.0
229.04707	2.7
229.08699	3.5
234.31239	1.6
242.53223	1.7
257.08215	66.2
257.17581	6.9
258.08484	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	257.2124
Annotation	2-Methoxytetradecanoic acid
Peak:m/z	Relative Intensity
57.15905	0.5
59.01395	0.6
68.90919	0.4
88.13564	0.4
89.20031	0.4
97.97536	0.5
142.62863	0.5
211.20705	5.4
219.01750	0.5
219.84464	2.6
220.84486	0.7
221.84270	4.9
236.35991	0.5
239.20209	1.1
255.19592	0.8
257.21237	100.0
258.21616	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	257.2124
Annotation	2-hydroxypentadecanoic acid
Peak:m/z	Relative Intensity
59.36434	0.4
60.44390	0.5
70.05094	1.1
70.05482	1.1
72.15360	0.5
75.08188	0.4
78.94440	0.4
84.02225	0.5
88.49211	0.4
94.40759	0.5
97.14966	0.5
119.63081	0.5
183.17590	1.0
191.77809	0.6
201.12175	0.5
207.17503	0.9
209.19093	5.3
211.20685	65.1
212.21017	3.9
219.84569	1.2
221.84189	2.7
235.39140	0.5
239.20213	1.9
243.28897	0.5
257.21240	100.0
258.21631	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	258.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97726	0.8
57.03456	1.1
59.01376	3.1
67.01897	1.8
69.34773	5.4
72.04549	4.1
74.02482	1.6
81.02209	2.9
82.02982	9.9
83.01398	9.6
84.72493	1.0
85.02954	1.4
98.02489	10.1
99.00888	3.1
110.02502	2.8
111.03257	4.8
111.04543	1.5
120.99669	2.5
127.00382	10.6
130.08755	100.0
131.09100	1.3
136.04057	8.6
140.07149	4.8
140.10854	1.4
142.12386	9.7
143.11893	1.8
152.10829	17.8
153.09238	1.2
168.10286	11.5
170.02841	2.1
170.11856	1.4
186.11296	1.1
190.61436	1.1
196.09773	20.4
212.09303	57.5
213.09654	2.5
214.05296	1.1
214.10815	5.3
217.10851	2.3
240.08795	39.3
241.09143	2.4
258.04312	1.5
258.09854	15.8
258.13452	1.7
259.11542	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	258.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
62.84495	0.3
69.08057	3.0
76.18193	0.3
78.03491	5.7
80.05064	100.0
81.04890	0.3
81.05354	1.7
94.02969	2.3
96.04559	43.3
97.04881	0.7
110.06124	90.9
111.06462	2.1
122.02485	1.4
147.04527	12.2
258.11362	13.3
258.20709	0.9
259.11682	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0227
Annotation	D-Myoinositol 4-phosphate
Peak:m/z	Relative Intensity
62.74041	0.2
62.96414	0.2
63.31679	0.2
66.08092	0.2
71.06398	0.4
78.95911	100.0
80.96499	0.5
86.16807	0.2
96.96971	28.9
108.90357	0.2
114.92056	0.7
117.95530	0.8
127.91003	0.2
130.88940	0.3
138.98048	3.3
154.91653	0.3
156.93115	0.7
158.92818	0.3
159.96603	0.7
168.90182	0.2
178.96011	1.3
196.92648	0.5
198.90570	3.9
199.00099	0.5
211.58812	0.2
214.93723	2.3
216.90619	5.0
217.90706	0.4
224.04123	0.7
234.91789	0.5
240.91629	4.0
241.01230	4.0
241.91602	0.3
258.92688	5.9
259.02264	23.8
259.92181	0.2
260.02518	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93418	1.4
52.70166	1.6
55.01888	13.5
57.03462	8.4
57.53032	1.5
58.00597	2.6
59.01386	61.3
62.52568	1.7
63.50506	2.0
64.80726	1.7
69.52853	10.8
71.01392	100.0
72.99322	2.6
73.02954	37.2
73.03345	1.5
75.00875	2.3
78.95890	2.3
79.82559	1.5
83.01394	16.7
85.02962	49.7
87.00900	2.9
89.02451	3.8
95.01410	6.3
97.02972	7.9
98.21778	1.9
99.00892	13.8
101.02456	78.3
111.00900	2.2
113.02460	38.7
115.00453	2.2
121.05717	1.8
125.02461	2.6
129.01988	2.3
143.03539	3.2
145.01447	2.6
159.02985	6.2
159.38594	1.6
161.04597	20.7
211.68036	1.9
236.16400	1.9
259.08203	7.4
259.11987	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	259.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70783	1.6
53.31446	1.4
55.01884	13.2
55.66093	1.5
57.03464	7.8
58.00600	2.5
58.15514	1.6
59.01381	73.6
60.23925	1.7
61.63907	1.7
61.77991	1.6
69.03479	1.9
69.73785	4.2
69.74174	3.7
70.94609	1.6
71.01388	100.0
72.99293	3.3
73.02950	43.4
73.48383	1.6
74.66109	1.6
83.01388	22.2
84.00047	1.5
85.02954	60.6
87.00871	5.3
89.02450	3.5
90.51528	1.9
95.01407	6.1
97.02961	4.6
99.00875	15.3
101.02447	90.7
104.00186	2.0
113.02458	41.0
125.02462	2.8
143.03484	2.3
159.03004	7.0
161.04565	23.5
170.58324	1.6
232.43649	1.7
250.27603	1.9
259.08224	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	259.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72798	0.6
58.47813	0.6
58.63167	0.5
59.01387	16.3
65.58665	0.5
71.29217	0.6
71.29597	0.6
72.99294	0.7
73.02940	0.6
83.05041	0.5
127.11333	0.7
137.09732	9.1
150.81635	0.6
155.10794	100.0
156.11078	2.2
171.10281	24.0
181.08727	2.0
199.09776	30.2
215.12857	1.0
216.70801	0.5
217.10826	84.9
218.11111	2.6
240.47852	0.5
259.11865	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	260.06
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02967	3.7
59.01377	2.9
60.40672	0.5
62.74618	0.6
69.15675	2.0
69.16091	3.6
69.60365	0.6
71.01388	7.3
71.05042	1.4
73.02956	2.5
74.02472	2.6
83.01385	1.1
84.04561	0.8
85.02962	2.4
92.05087	0.9
94.06635	0.8
98.02512	2.1
98.21816	1.5
99.00879	0.9
99.04530	1.4
101.02451	1.1
102.25603	0.6
112.04074	3.0
115.04021	2.8
115.93285	0.7
116.03542	1.8
120.99684	1.9
127.78318	0.7
128.03546	3.5
130.06677	1.0
131.03763	6.8
132.04576	7.2
138.05629	27.0
144.04556	2.9
157.07707	4.5
158.06093	4.1
172.04391	100.0
173.04698	2.2
175.08765	2.8
195.42249	0.6
199.08923	0.7
201.06735	1.1
219.07800	3.7
243.07791	0.9
260.03201	1.2
260.05981	23.8
261.08777	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	260.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34875	0.6
56.49932	0.6
57.03440	1.0
59.01373	1.2
65.17046	0.5
68.27119	0.6
69.03459	1.9
69.39429	1.9
69.39855	2.7
69.92007	0.7
70.25695	0.6
72.04168	0.6
72.04556	2.8
82.02962	0.8
85.02961	23.4
90.76881	0.6
101.02449	18.4
103.64864	0.6
128.03564	1.3
128.73105	0.7
129.01959	88.6
130.02283	1.2
130.08754	100.0
131.09105	2.7
140.10814	0.9
142.12386	15.5
154.12383	1.0
155.10774	0.9
168.10332	2.8
170.11841	6.6
198.11339	1.4
216.12434	1.0
242.10373	12.4
260.08743	1.3
260.11404	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	261.0882
Annotation	(+)-Neothramycin A
Peak:m/z	Relative Intensity
58.02980	8.6
59.01376	3.9
60.04964	0.8
70.02982	9.5
71.29038	1.6
72.04544	3.6
74.02481	100.0
78.28259	0.7
84.04550	3.8
86.02486	7.3
92.05070	2.1
98.02488	22.2
99.31168	0.8
110.02523	1.4
116.03554	47.2
119.04998	1.1
120.04561	1.1
128.03549	11.8
130.06641	3.3
131.03789	10.9
132.04572	42.0
133.04872	1.1
137.51448	0.7
140.05045	0.9
144.04552	10.8
145.03032	0.8
146.06096	2.0
157.07735	6.5
158.06145	7.9
159.04546	0.9
173.07240	2.8
175.08803	8.6
199.08939	2.0
201.06721	11.0
215.08302	1.6
217.05145	1.8
217.09801	2.9
219.07771	8.1
235.56154	0.9
243.07733	1.3
261.04507	1.2
261.08832	32.6
262.09198	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02981	5.2
59.01379	5.7
69.21095	6.2
70.02991	9.2
72.04557	4.8
73.23015	0.8
74.02483	100.0
75.02822	0.9
84.04567	2.4
86.02487	5.1
92.05036	1.3
98.02496	25.6
107.08878	0.9
115.85509	0.8
116.03554	48.4
119.05097	1.0
128.03554	10.9
130.06627	2.4
131.03792	7.0
132.04572	40.0
133.04924	0.9
144.04564	9.8
157.07727	3.0
157.71637	0.8
158.06117	4.0
173.07242	1.2
175.08775	4.5
182.04573	1.1
191.26907	0.9
199.08801	1.6
201.06711	11.7
206.26837	0.8
215.08342	1.4
217.09784	2.1
219.07709	5.2
226.07773	0.8
231.07942	0.9
231.96686	0.8
243.07678	1.0
243.12085	0.8
248.01564	0.8
249.64589	0.9
261.08838	24.7
261.11517	1.9
262.09137	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	261.0883
Annotation	(+)-Neothramycin A
Peak:m/z	Relative Intensity
57.03435	0.8
58.02978	9.4
59.01379	4.5
69.17033	2.1
69.17452	2.9
71.01360	1.4
73.02974	0.7
74.02475	10.0
84.04539	2.7
85.02949	1.4
86.02513	0.7
92.05063	1.8
98.02477	4.9
98.22522	1.5
98.92419	0.6
99.04528	100.0
100.04897	1.2
101.02441	1.3
110.02473	1.2
116.03563	4.7
118.03036	0.8
120.04546	0.8
128.03549	8.0
130.06656	2.6
131.03784	18.7
132.04576	16.6
133.04903	0.8
140.05029	1.3
144.04532	4.7
146.06079	1.3
157.07730	9.9
158.06126	11.2
161.04605	0.7
171.34044	0.6
173.07404	0.6
175.08777	10.1
189.06685	0.8
199.08757	1.7
201.06659	2.8
201.11353	1.4
210.20569	0.6
217.09789	2.0
217.45650	0.7
219.07777	10.6
219.12350	6.6
243.07718	2.1
261.08829	24.0
262.09198	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	8.7
57.03436	3.6
58.02982	11.1
59.01384	31.5
66.24017	2.2
69.19978	17.7
71.01386	100.0
71.05025	29.4
72.99294	2.8
73.02565	4.1
73.02953	41.6
74.02486	10.9
81.03465	11.6
83.01404	13.6
83.05042	6.5
84.04565	3.7
85.02959	45.3
87.04517	2.3
89.02438	2.7
92.05065	3.5
96.70852	2.3
97.02954	3.5
98.02497	6.2
98.21728	2.5
99.00877	15.8
99.04542	13.5
101.02448	13.1
109.02930	5.1
115.04024	37.8
116.03564	3.2
128.03575	13.3
130.06644	2.2
131.03773	20.8
132.04573	23.2
136.72928	2.3
144.04579	7.1
145.05054	7.4
157.07675	11.5
158.06128	14.6
167.01471	2.2
173.04713	7.4
175.08821	13.7
217.10994	3.1
219.07764	12.4
219.12337	4.3
235.08557	2.4
243.07573	2.4
261.08850	36.1
261.12671	2.4
262.09421	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	261.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	6.6
59.01397	3.7
69.36193	2.5
69.36600	1.3
71.01403	2.6
74.02480	5.6
74.26297	0.6
84.04548	2.6
85.02942	0.8
92.05061	2.2
98.02490	3.3
98.22512	0.7
99.04526	100.0
100.04874	1.5
100.61886	0.6
101.02464	0.8
110.02474	0.7
116.03539	3.6
120.04601	0.7
128.03546	6.3
130.06604	1.5
131.03778	14.8
132.04565	13.7
133.04897	1.0
140.05049	1.0
144.04610	3.5
146.06096	1.3
147.05559	0.6
157.07727	7.4
158.06123	7.0
159.06406	0.8
175.08752	5.9
194.23642	0.5
199.08810	1.1
201.06735	1.8
201.11319	1.0
217.09863	2.3
219.07758	7.5
219.12341	4.7
220.08214	0.7
243.07857	1.5
261.08838	20.9
261.13443	1.4
262.09097	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48660	2.0
53.09766	1.8
55.01877	11.2
57.03445	6.2
59.01385	24.5
60.39930	2.1
61.36554	1.8
69.03446	4.4
69.25121	17.2
71.01389	100.0
71.05016	6.8
72.99302	2.4
73.02949	32.3
74.19696	2.4
75.00861	2.9
76.00397	2.0
77.04757	1.8
81.03468	42.0
83.01391	9.1
84.02179	9.1
85.01447	3.7
85.02956	50.5
87.00849	4.0
95.01385	9.4
97.02958	2.0
98.22559	4.2
99.00874	14.8
99.04530	61.6
101.00985	13.7
101.02445	46.9
102.98671	5.0
113.02467	40.4
117.00470	32.9
125.00953	2.2
125.02419	2.3
128.03574	2.6
131.01736	4.5
131.03770	4.0
132.04539	4.0
141.00455	8.9
144.99921	4.1
153.00537	2.7
158.06142	2.8
159.03032	7.0
161.04556	24.4
171.01579	4.0
174.19086	2.2
195.01421	3.6
201.00919	2.6
261.08798	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	261.098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52041	1.5
51.55391	1.8
53.47165	1.5
55.01893	9.4
57.03437	3.1
58.00603	2.3
58.02975	5.3
59.01382	31.9
59.99721	1.9
67.78932	1.5
69.03473	2.7
70.87346	2.9
71.01387	100.0
71.04668	2.3
71.05026	30.8
72.99315	2.1
73.02572	2.8
73.02955	36.8
74.02473	4.1
81.03454	12.1
83.01392	12.8
83.05021	5.7
84.04491	1.8
85.02470	3.0
85.02958	40.3
86.55787	1.6
89.02473	2.8
92.05082	2.4
92.51854	1.9
97.02962	3.5
98.02467	2.3
99.00910	11.5
99.04542	10.2
101.02428	11.4
109.02972	6.1
113.67137	1.8
115.04024	42.1
116.03555	2.9
128.03554	5.0
131.03792	12.4
132.04596	10.7
144.04596	3.4
145.05081	6.5
157.06506	1.9
157.07739	5.5
158.06108	6.4
173.04715	3.2
175.08830	4.2
199.09004	2.1
217.10811	3.5
219.07758	7.3
261.09369	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	261.1133
Annotation	Perydiscolic acid
Peak:m/z	Relative Intensity
59.40147	0.8
61.88744	0.6
70.33128	0.7
70.33457	2.1
71.61899	0.6
86.29178	0.8
99.04482	0.7
105.43633	0.7
114.97702	0.7
125.09723	0.6
128.32701	0.6
173.13371	27.8
174.13651	1.5
202.49789	0.7
217.12350	100.0
218.05827	0.8
218.12675	5.2
261.11343	49.9
262.11746	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	263.1136
Annotation	Ilicifolinoside A
Peak:m/z	Relative Intensity
51.75719	1.5
55.01874	6.3
57.03456	4.3
57.86282	1.4
58.00591	4.2
59.01385	83.1
68.21628	1.3
69.36711	1.4
69.54738	6.1
69.55142	3.4
69.96746	1.3
70.14719	1.5
71.01387	100.0
71.05024	13.6
72.99307	3.0
73.02956	20.1
73.06582	3.2
73.08524	1.5
83.01395	8.9
83.05043	8.5
84.02171	1.5
85.02959	39.4
87.00879	3.4
89.02456	48.3
95.01381	6.4
99.00896	9.6
101.02449	54.6
101.06094	27.1
113.02458	40.4
119.03528	12.4
129.65727	1.6
143.03511	1.8
159.02980	3.6
161.04562	17.9
175.59259	1.6
263.11334	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	263.1289
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
57.03439	3.8
58.59632	2.4
59.01375	7.7
68.09794	2.4
69.12354	9.9
69.12775	11.5
70.85097	2.1
71.01379	12.3
80.96499	2.2
83.05044	5.6
89.02457	3.7
95.05032	4.6
97.02940	5.8
101.02447	5.2
107.05081	2.9
108.05811	5.9
109.02948	7.1
109.06609	3.6
111.04522	12.4
111.08138	2.7
113.06079	9.2
118.35912	2.3
119.08659	4.8
121.02940	2.9
122.03755	13.3
123.08158	8.3
125.06071	18.3
135.08235	3.0
136.05305	16.9
137.06107	6.8
138.06891	17.1
139.07655	31.8
146.14984	2.4
148.05316	9.3
149.06096	2.8
151.07668	70.6
152.04829	8.0
152.08449	35.5
153.09303	12.3
159.11781	3.5
161.09744	7.4
163.07675	17.1
167.07039	3.7
188.08374	3.6
189.09177	8.1
201.12863	29.2
203.10722	24.0
204.11557	60.2
205.11827	3.9
219.13895	100.0
220.14288	3.3
245.11780	3.3
248.10454	3.2
263.09384	4.0
263.12875	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	263.129
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
59.01385	2.8
60.83247	0.8
69.24711	3.6
69.25133	2.9
71.01380	2.9
73.02953	1.1
78.36694	0.8
82.57771	0.8
83.05005	1.5
85.02950	1.9
87.00873	1.6
89.02476	0.8
90.48716	1.0
97.02978	1.1
101.02418	1.7
107.05027	0.9
109.02920	1.6
109.06590	1.6
111.04534	2.0
113.02482	0.9
113.06099	0.9
119.08675	2.1
121.02969	1.2
121.06606	2.6
122.03727	1.6
123.04537	1.7
123.08143	1.9
125.06087	4.5
134.03787	1.2
135.08162	1.7
136.05302	8.6
137.09720	2.4
138.06889	1.5
139.07664	3.6
139.71521	0.8
147.08098	1.2
148.05307	1.4
149.06120	2.3
151.07687	6.5
152.04784	1.0
152.08466	6.2
153.08994	1.0
161.09758	3.2
163.07649	2.6
164.08408	1.5
170.05896	0.9
175.07579	2.5
185.09692	5.1
186.10544	1.1
188.08487	2.7
189.09280	5.8
189.12839	2.6
193.05029	1.0
201.12865	23.0
202.13246	1.3
203.10799	23.0
204.11568	61.3
205.11874	3.5
219.13918	60.1
220.14223	3.2
245.11797	1.9
263.12903	100.0
264.13290	6.7
264.16003	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	263.1654
Annotation	12-Oxo-2,3-dinor-10,15-phytodienoic acid
Peak:m/z	Relative Intensity
57.03451	3.9
59.01384	9.5
63.36487	1.5
70.45475	1.4
70.50491	5.1
71.01411	2.6
73.13660	1.7
76.87087	1.5
83.04982	2.0
95.05032	6.0
111.08171	30.9
137.09705	8.1
149.09709	7.7
155.92628	1.6
165.12852	1.9
167.10751	4.3
200.53813	1.8
205.90581	1.6
219.17531	19.9
263.16522	100.0
264.16589	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	264.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.3
71.28893	0.7
80.57469	0.5
81.10171	0.5
85.02935	0.9
91.05534	1.4
96.96049	0.8
101.02438	0.7
102.05618	65.1
117.03500	3.1
119.05033	7.9
121.03009	0.6
128.03551	56.9
131.05113	0.7
133.06616	1.6
135.04532	3.4
136.07791	0.7
145.02966	10.1
146.04604	100.0
147.04910	1.6
161.06087	2.4
163.04013	5.7
178.05138	1.6
182.04214	0.5
187.03999	1.2
191.07191	0.6
204.06682	0.6
205.05074	2.3
220.09833	1.6
246.07655	1.6
264.08762	15.1
264.16153	1.1
265.07004	1.4
265.09149	0.9
265.14526	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19875	0.7
59.01385	12.7
69.71126	3.5
71.01386	4.8
73.95030	0.7
80.96479	0.9
89.02444	1.7
93.03471	1.9
96.95960	0.8
101.02448	2.8
102.82886	0.8
117.03481	30.5
119.05038	68.9
120.05372	1.7
121.02969	4.0
131.05055	0.9
132.05821	4.0
133.06616	11.1
134.99007	0.6
145.02965	100.0
146.03310	2.2
146.14461	0.7
150.04211	1.0
159.04541	1.6
161.06090	26.6
162.06413	0.6
163.04019	49.5
164.04359	1.4
167.00237	0.7
173.06126	0.8
177.05603	1.5
187.04022	4.0
189.05612	1.1
191.07135	2.1
202.29196	0.7
205.05066	20.9
206.05453	1.3
231.17180	0.7
239.41736	0.9
265.07181	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.072
Annotation	Diaportinol
Peak:m/z	Relative Intensity
54.69508	0.5
58.00590	0.5
59.01387	12.5
59.01668	0.8
60.42464	0.5
60.63399	0.5
68.57944	0.5
70.47340	1.4
71.01374	2.4
71.05049	0.7
72.99323	0.7
83.05069	0.7
89.02451	1.3
93.03481	1.3
95.05025	0.6
96.96021	0.8
97.06683	0.6
101.02467	2.1
117.03477	28.9
119.05042	45.1
120.05383	1.5
121.02961	4.4
122.04951	0.5
123.04553	1.3
131.05052	1.3
132.05841	4.9
133.03020	0.6
133.05122	0.7
133.06616	17.8
134.03825	0.7
137.09779	0.7
145.02971	100.0
146.03331	2.5
153.09207	1.4
159.04544	1.1
161.06097	39.3
162.03281	0.9
163.04034	25.2
164.04359	0.9
173.13300	0.6
177.05548	1.6
187.04016	3.5
203.14407	1.6
205.05074	35.8
206.05432	1.3
219.37282	0.6
221.15411	0.6
265.07132	21.7
265.14478	5.3
266.07388	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1235
Annotation	Magnolol
Peak:m/z	Relative Intensity
55.56145	0.2
55.71881	0.2
57.03427	0.3
65.92743	0.3
70.77417	0.8
70.81007	0.3
83.39993	0.2
91.28660	0.3
96.96024	5.9
109.06596	1.0
111.04559	0.3
119.05051	0.6
140.58179	0.3
145.03070	0.3
153.12894	0.6
221.19055	1.0
223.07716	0.7
224.08275	0.3
245.09734	7.2
247.11307	17.1
248.11676	1.1
259.37137	0.3
265.12357	100.0
265.14655	4.5
265.18222	3.8
266.12714	6.5
266.15601	0.3
267.01672	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1236
Annotation	Honokiol
Peak:m/z	Relative Intensity
55.53077	0.3
56.75938	0.2
65.03938	0.3
81.03451	0.3
84.13223	0.3
85.52907	0.3
102.58689	0.3
106.39754	0.3
106.62636	0.3
119.05038	0.8
126.08778	0.3
133.06619	0.5
150.56841	0.3
157.06586	0.3
173.09721	0.4
186.18166	0.3
195.04417	0.4
195.08229	0.4
196.09024	1.6
197.06110	2.3
209.06078	3.4
209.09686	0.6
221.09694	0.3
223.07655	18.8
224.08434	33.1
225.08757	1.8
229.06996	0.3
235.07695	0.4
235.11302	0.7
237.09242	0.5
237.12917	0.5
247.11234	0.6
249.09230	6.6
250.09947	7.5
263.10849	0.6
264.11218	0.4
265.12350	100.0
266.12683	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	265.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07743	1.6
55.01884	12.8
57.03457	8.5
58.00587	2.0
59.01382	77.7
66.96552	1.5
70.84785	2.8
70.85120	1.8
71.01386	100.0
72.99306	2.7
73.02950	43.7
75.00903	1.9
83.01392	21.3
85.02957	54.2
87.00877	6.3
89.02454	13.7
95.01413	7.3
99.00890	17.6
101.02451	99.2
103.07636	3.5
111.00880	2.4
113.02456	45.3
117.03500	1.8
119.03575	3.7
119.05044	4.1
125.02474	3.9
129.01917	2.9
134.04770	4.9
135.04854	1.9
143.03531	3.7
145.02963	6.5
158.80540	1.7
159.02957	9.6
161.04579	50.4
161.05865	1.8
163.03964	3.7
190.96451	1.9
205.04999	2.9
265.12949	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	265.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10716	0.8
51.56076	0.6
55.01875	1.2
57.03458	3.5
59.01375	2.9
68.86644	0.7
69.03451	1.1
69.14270	3.7
69.14694	2.3
73.02940	0.8
81.03466	1.0
83.05027	3.0
85.02945	0.8
93.03484	1.7
95.05022	5.5
96.96026	2.2
97.02960	2.8
97.06612	2.0
98.21786	1.6
101.02486	0.7
105.07095	0.9
107.05043	2.0
109.02971	4.2
109.06594	1.8
111.04530	7.9
113.02489	0.7
117.03458	1.6
119.05030	7.0
121.06625	4.6
122.03742	1.1
123.08207	2.2
125.02469	1.7
125.09697	0.9
133.06630	1.3
134.03770	0.9
134.10483	0.7
135.08191	3.4
135.96204	0.6
136.01683	1.0
136.05315	2.0
137.06073	1.0
137.09734	4.6
138.06880	13.4
142.02663	0.7
145.02945	6.9
145.06633	0.8
146.03339	0.8
147.04536	0.8
147.08159	4.6
148.08939	1.3
151.07629	2.2
152.91296	0.7
153.09224	15.1
154.09567	1.0
161.06114	1.8
161.13344	2.5
162.10854	0.8
163.04021	3.0
165.09216	10.2
169.10251	2.8
177.12827	1.1
185.13377	5.1
187.03859	0.8
187.11285	2.2
191.07185	1.1
192.04320	2.0
201.12830	1.5
203.14427	20.5
204.14799	1.0
205.05069	1.4
219.13832	1.5
221.11920	0.7
221.15497	6.4
247.13348	1.8
265.07257	2.0
265.14456	100.0
266.05933	0.7
266.14746	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	265.1447
Annotation	Aspterric acid
Peak:m/z	Relative Intensity
57.03446	6.3
59.01380	7.0
67.43610	1.9
69.03471	3.9
71.01373	7.2
71.05015	4.0
71.29626	3.3
71.29993	2.2
81.03457	3.7
83.05028	55.9
95.05033	14.7
96.96028	3.4
97.06595	100.0
101.02438	2.7
108.02131	5.4
109.02872	2.2
109.06622	2.3
111.04525	19.1
111.08210	2.2
113.06087	5.4
117.03469	5.6
119.05049	18.5
121.02940	2.2
121.06601	4.4
123.08181	12.3
125.09763	5.3
126.15877	1.8
133.06619	2.9
135.08162	3.1
136.07687	5.3
137.09721	15.9
139.07652	7.1
145.02965	20.8
147.08183	3.9
149.09749	4.8
153.09221	29.6
161.06067	7.0
161.09726	3.2
163.04042	13.5
163.07663	5.3
163.11346	3.2
165.09225	4.2
165.12836	7.2
166.10033	3.0
169.10176	2.0
175.03961	2.0
175.11237	2.7
177.12897	2.9
185.13371	5.1
187.03955	4.3
187.11264	4.6
188.12067	4.9
191.07187	3.7
191.14403	11.3
201.12865	2.7
203.14413	50.7
205.05029	4.5
207.97580	2.0
219.13873	8.9
221.15465	90.3
222.11258	3.1
222.15848	4.1
223.13377	12.6
246.13734	2.0
265.14453	57.9
266.14767	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	265.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10716	0.8
51.56076	0.6
55.01875	1.2
57.03458	3.5
59.01375	2.9
68.86644	0.7
69.03451	1.1
69.14270	3.7
69.14694	2.3
73.02940	0.8
81.03466	1.0
83.05027	3.0
85.02945	0.8
93.03484	1.7
95.05022	5.5
96.96026	2.2
97.02960	2.8
97.06612	2.0
98.21786	1.6
101.02486	0.7
105.07095	0.9
107.05043	2.0
109.02971	4.2
109.06594	1.8
111.04530	7.9
113.02489	0.7
117.03458	1.6
119.05030	7.0
121.06625	4.6
122.03742	1.1
123.08207	2.2
125.02469	1.7
125.09697	0.9
133.06630	1.3
134.03770	0.9
134.10483	0.7
135.08191	3.4
135.96204	0.6
136.01683	1.0
136.05315	2.0
137.06073	1.0
137.09734	4.6
138.06880	13.4
142.02663	0.7
145.02945	6.9
145.06633	0.8
146.03339	0.8
147.04536	0.8
147.08159	4.6
148.08939	1.3
151.07629	2.2
152.91296	0.7
153.09224	15.1
154.09567	1.0
161.06114	1.8
161.13344	2.5
162.10854	0.8
163.04021	3.0
165.09216	10.2
169.10251	2.8
177.12827	1.1
185.13377	5.1
187.03859	0.8
187.11285	2.2
191.07185	1.1
192.04320	2.0
201.12830	1.5
203.14427	20.5
204.14799	1.0
205.05069	1.4
219.13832	1.5
221.11920	0.7
221.15497	6.4
247.13348	1.8
265.07257	2.0
265.14456	100.0
266.05933	0.7
266.14746	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	265.1809
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
59.01386	5.6
67.19202	0.5
69.03449	2.9
70.64476	1.4
70.64803	1.3
71.01386	0.9
83.05043	0.9
83.28216	0.6
85.56263	0.6
97.06581	1.0
109.06539	0.7
111.08171	1.1
127.07677	1.0
149.09720	3.8
149.13376	1.7
151.11272	2.4
155.07161	4.4
163.32391	0.6
167.10785	48.4
168.11131	1.6
177.09224	0.9
183.84012	0.6
185.33917	0.6
195.10262	10.9
203.18048	3.8
207.19388	0.8
211.79654	0.7
221.18942	0.9
228.10095	2.2
229.15991	0.6
237.18768	0.9
247.17038	14.4
247.19385	1.3
248.17265	0.8
265.18106	100.0
266.18411	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1811
Annotation	OPC-6:0
Peak:m/z	Relative Intensity
57.03451	12.8
59.01386	6.4
64.81519	0.5
65.65611	0.5
68.87225	0.6
69.03451	1.0
69.68115	1.4
69.68525	1.5
71.01384	0.7
71.05025	0.6
83.05044	1.9
85.06604	0.9
97.06593	5.2
107.08681	1.2
113.09739	58.8
114.10080	1.6
121.06631	0.7
125.09708	0.8
127.11297	0.9
139.10245	0.9
139.11308	17.4
140.11658	0.6
142.59680	0.5
149.09781	2.7
163.11292	2.3
165.12834	1.9
167.10796	2.4
221.19131	14.7
222.19450	1.1
247.17001	2.6
265.18100	100.0
266.18448	6.7
275.42883	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0897
Annotation	Adenosine
Peak:m/z	Relative Intensity
59.01372	0.3
65.22182	0.3
70.89891	0.4
70.90222	0.4
78.21091	0.2
92.02551	2.0
107.03653	5.3
119.05035	0.3
120.05350	0.3
127.41552	0.2
134.04749	100.0
135.04207	0.3
135.05222	1.1
145.03020	0.3
146.03320	0.5
155.08266	0.2
158.25163	0.2
162.06633	0.3
164.04373	0.3
190.80650	0.2
266.08994	9.2
267.09344	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.124
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
55.01873	1.3
57.03436	4.0
59.01389	8.7
59.95607	1.0
68.55471	1.0
69.03470	6.1
71.01373	3.9
71.05026	7.4
71.30349	1.6
76.29074	1.0
80.43693	1.0
81.03457	1.2
81.22867	1.2
83.05016	7.2
95.05027	2.1
96.96023	2.0
97.06594	6.9
123.08154	1.4
127.60494	0.9
137.59125	1.2
141.09232	1.9
149.09705	1.8
151.11295	2.7
153.09242	1.8
179.14441	10.8
193.15941	1.1
203.14445	1.6
205.12314	3.3
221.15443	1.3
223.13405	92.0
224.13737	4.0
239.07152	1.2
249.11380	3.9
267.12411	100.0
267.15860	6.9
268.12860	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	267.1967
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
59.01385	10.2
68.11168	0.9
69.10912	7.8
71.01371	0.9
75.70899	0.8
83.05009	1.6
92.77650	0.8
99.08168	1.0
102.07865	0.8
113.09728	2.4
120.61460	0.9
149.08650	0.8
149.09702	5.6
167.10791	58.8
168.11092	2.5
179.00415	0.8
189.53590	0.8
205.19566	1.2
207.26860	0.8
213.88741	0.9
231.17461	1.2
249.18617	35.7
250.18939	1.9
267.19662	100.0
268.19971	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1299
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
53.19905	0.5
70.81635	0.9
70.81971	0.8
81.35144	0.6
120.04557	3.1
134.06076	0.7
136.07693	1.0
167.14365	0.8
186.95636	0.8
211.08817	3.3
211.13371	0.8
225.06909	0.7
225.10347	5.9
226.10789	0.9
226.12622	1.2
239.08247	4.6
240.09081	1.0
241.13503	4.0
251.11961	0.8
253.09863	3.5
254.10619	15.2
269.12964	100.0
269.21136	1.9
270.13342	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	269.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25090	1.1
57.03457	1.3
64.84985	0.7
69.03426	1.2
71.05015	1.7
71.32055	0.7
71.32458	1.5
78.33125	0.7
78.95743	0.9
82.22643	0.8
135.31442	0.8
144.02914	1.0
151.11301	0.8
161.04779	0.8
179.14384	1.0
181.16037	3.4
207.13945	5.4
225.14980	100.0
226.06410	3.4
226.15294	4.5
251.12903	2.6
269.13950	85.8
270.14346	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	271.2281
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
51.78411	0.3
52.10034	0.2
62.67188	0.3
69.56464	0.2
70.92334	0.3
70.92661	0.4
84.26022	0.3
131.15886	0.3
143.38156	0.3
178.16280	0.3
225.22232	4.6
226.22668	0.4
253.21716	1.2
269.21426	0.7
271.22812	100.0
272.23145	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	271.228
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
59.13518	0.8
68.88696	0.8
70.61333	1.0
70.61673	2.4
74.57710	0.9
78.23725	0.8
100.54507	0.8
135.67070	0.8
223.20622	3.4
225.22244	64.6
226.22607	4.6
253.21831	2.0
271.22797	100.0
272.23233	4.1
288.23312	1.0
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
69.72913	0.4
72.06123	0.3
96.18773	0.3
115.04211	0.3
153.75221	0.3
194.53404	0.3
198.06367	0.4
211.20734	1.5
225.22279	1.2
232.78561	0.3
253.21745	1.3
269.21277	1.1
271.22803	100.0
272.23135	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	272.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37473	0.7
65.00340	1.3
66.03460	0.7
69.19739	3.4
69.20165	2.9
81.03472	3.5
94.02997	100.0
95.03346	1.9
109.01709	24.1
110.02524	1.2
116.05051	0.7
122.02495	71.0
123.02878	1.2
124.04057	75.7
125.04385	1.4
136.04051	2.1
137.04840	36.1
138.05150	0.9
147.04530	12.8
149.01149	1.2
151.00385	2.2
159.04634	0.8
169.03793	2.8
196.07768	4.4
213.07982	14.3
222.16127	0.7
222.20193	0.7
228.10289	5.5
240.06688	3.0
245.04590	3.2
272.09320	14.7
273.04025	2.2
273.09814	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.093
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00329	1.3
81.03465	3.2
93.73207	0.8
94.02991	100.0
95.03329	1.5
96.04547	1.0
107.01361	1.1
109.01702	23.6
110.02560	1.4
122.02490	67.2
123.02839	1.4
124.04051	69.0
125.04379	1.1
136.04001	1.9
136.37849	0.8
137.04837	38.6
139.96216	0.8
147.04532	12.7
150.25198	0.8
151.00360	3.0
169.03781	3.8
196.07686	5.0
213.07976	15.4
216.22813	0.7
228.10257	5.5
233.96820	0.9
240.06778	1.5
245.04559	3.1
272.09253	13.4
273.04025	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	272.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.4
58.02969	1.0
59.01385	30.8
65.00345	1.6
69.50688	2.6
69.51091	5.4
71.45415	1.0
72.04566	5.4
72.99316	1.4
83.01396	1.4
84.04559	2.2
85.02953	21.5
86.56264	1.1
88.54174	1.1
89.33893	1.1
93.03477	1.4
98.21807	1.6
107.01393	2.9
127.23356	1.1
129.01935	2.4
150.24240	1.3
151.00406	5.4
156.13945	25.6
161.02415	1.9
168.13976	8.0
178.99823	1.4
182.11923	2.7
184.13435	30.8
212.12933	100.0
213.13251	4.1
230.13983	79.4
231.14285	3.4
245.04530	7.1
272.15213	2.9
273.04147	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	272.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11008	1.3
57.98117	1.4
59.01132	1.7
59.01389	24.6
66.47392	1.3
69.04768	6.1
69.05191	8.2
72.04548	4.5
79.97038	1.2
84.04545	2.4
85.02959	25.4
98.22616	1.6
101.02477	1.6
129.01894	2.6
151.00404	1.8
156.13945	22.0
168.13942	8.5
169.12318	6.2
182.11887	3.2
184.13432	28.9
212.12939	100.0
213.13315	4.0
226.12854	1.5
230.13980	80.5
231.14323	3.3
241.10820	4.9
245.04561	3.0
272.15125	4.5
273.04358	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	273.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.8
63.02391	1.8
65.00327	4.4
69.22501	8.0
72.99314	0.8
83.01402	3.2
86.65776	0.9
93.03487	2.5
97.02966	1.3
104.98023	1.0
107.01415	6.1
112.97227	1.0
117.03510	2.0
125.02428	1.1
125.65912	0.9
126.31479	0.8
132.64671	1.0
133.55740	0.9
135.04538	1.3
151.00391	13.9
151.11349	1.4
158.91316	0.9
159.04572	2.2
161.02441	3.0
168.33502	0.8
169.12363	100.0
170.12756	4.3
178.99931	2.2
191.88103	0.9
197.11864	22.0
201.05702	2.0
223.70811	1.0
241.10841	75.9
242.11189	3.6
245.04575	17.0
246.04897	1.2
273.04099	9.4
273.06873	1.3
273.13440	1.2
273.17102	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	274.0935
Annotation	1,6-Anhydro-N-acetyl-beta-muramate
Peak:m/z	Relative Intensity
55.01887	1.3
55.38369	0.7
57.03441	0.8
58.02979	6.6
59.01388	2.1
65.03447	0.6
69.03431	0.7
69.62117	3.9
71.01382	9.1
74.70875	0.6
77.00605	0.6
80.20753	0.6
82.02957	1.1
83.01401	1.9
84.04552	1.2
87.00878	2.3
89.02453	100.0
90.02779	1.0
94.02985	1.4
96.04560	1.3
98.02508	1.3
99.00887	1.5
99.03263	0.7
100.04059	12.8
101.02451	2.0
108.04567	0.9
112.04066	4.5
113.02490	1.6
114.05643	0.6
116.25802	0.6
124.04092	1.5
125.02428	1.4
138.05641	1.0
140.03578	1.8
142.05132	3.4
154.05153	3.1
166.05072	1.1
200.05768	0.6
202.07291	4.7
232.08275	5.3
274.09357	86.2
275.09720	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	274.0934
Annotation	Cardiospermin
Peak:m/z	Relative Intensity
55.01881	1.6
58.02981	7.0
59.01371	2.7
64.14553	0.6
66.03465	0.7
69.03445	1.0
71.01389	9.3
71.29256	1.2
73.02965	0.7
77.08940	0.7
79.99180	0.6
81.03456	0.6
82.02969	1.2
83.01404	2.1
84.04545	2.2
85.02974	1.3
86.02464	0.8
86.80220	0.6
87.00867	2.5
89.02451	100.0
90.02779	1.4
93.40476	0.5
94.03008	1.4
96.04559	1.5
97.02949	1.0
98.02489	1.3
99.00871	1.8
100.04054	10.9
101.02454	2.0
109.02953	0.8
111.00887	0.9
112.04062	3.7
113.02450	1.7
124.04054	2.3
125.02465	1.1
128.03548	1.4
129.18604	0.6
136.04048	1.5
138.05606	0.8
140.03534	1.5
142.05145	3.5
149.71751	0.6
154.05066	1.1
155.03545	0.8
166.05154	0.9
170.04547	0.8
182.04579	1.0
184.06107	1.3
200.05710	0.8
202.07196	4.4
230.10260	0.7
232.08286	5.2
274.09344	82.9
275.09662	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	275.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.4
57.03437	5.0
58.99597	2.7
59.01383	15.8
61.23842	1.6
64.28009	1.8
67.01881	4.4
68.99823	2.1
69.03444	7.7
69.39949	12.6
71.01385	49.5
72.99328	11.6
72.99657	1.7
73.02943	5.5
74.99097	4.0
75.00855	2.3
81.03457	7.6
83.01389	3.7
83.05018	6.2
84.02180	2.3
85.02954	48.3
87.00879	6.3
87.89900	1.9
89.02470	9.6
93.03471	16.7
95.01406	13.3
95.05013	2.3
97.02943	10.9
98.21792	2.1
99.00890	25.8
99.04514	3.0
101.02425	10.0
108.02156	2.7
109.02958	15.1
110.02499	3.9
111.00910	2.3
111.04530	18.4
112.01690	8.3
113.02459	100.0
114.96052	1.8
119.03503	3.2
121.02972	13.2
123.04534	6.2
124.04056	2.4
124.77718	2.0
125.02472	10.2
127.04032	5.5
129.42973	1.9
134.04776	2.0
136.76236	1.9
137.02477	22.1
139.04025	28.9
149.02481	9.0
155.03522	15.7
167.03481	18.8
173.69490	1.9
275.07651	14.9
275.10196	4.5
276.05493	3.2
281.80957	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	275.104
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38716	0.4
57.90535	0.5
58.02990	0.5
59.01380	1.6
66.77772	0.6
67.03022	2.4
68.63695	0.5
69.15120	3.8
70.02988	1.1
71.01389	1.7
72.00909	1.1
82.02998	5.8
84.00916	0.7
91.05556	1.8
96.96027	1.3
98.02510	0.7
107.02514	2.9
109.04089	18.8
112.04026	3.4
113.02462	0.5
118.06651	0.6
127.05150	100.0
128.05502	2.3
135.04587	0.8
139.05193	1.2
142.68356	0.5
145.06964	0.5
147.04550	6.6
164.07216	3.1
169.97411	0.5
186.05679	0.7
186.09241	0.8
214.08791	1.4
215.12813	0.7
231.11444	3.3
233.13982	2.3
238.57770	0.5
246.05153	0.5
275.10403	52.0
276.10754	2.6
285.38666	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1141
Annotation	Itoside M
Peak:m/z	Relative Intensity
55.01886	7.3
57.03444	6.2
58.00593	4.0
59.01385	34.0
59.59509	1.3
69.03464	1.7
71.01386	100.0
71.28645	2.7
72.01711	1.6
72.99306	5.4
73.02956	31.9
73.03651	1.2
73.93220	1.4
75.00880	2.3
83.01395	15.2
83.05010	2.4
85.02956	54.7
85.06589	1.6
86.03345	1.2
87.00887	25.4
88.04055	2.3
89.02441	7.6
91.06049	1.7
93.03446	2.0
95.01385	5.7
95.05019	2.6
97.02970	4.3
99.00900	15.9
100.04242	1.3
101.01809	3.1
101.02454	53.9
101.03960	1.5
111.00880	3.0
111.04524	3.3
112.04037	3.3
113.02460	44.2
113.04397	1.7
113.06096	25.2
115.04083	1.9
125.02420	3.8
129.01965	1.9
129.05592	1.6
136.04247	1.6
139.04001	3.9
143.03481	2.2
146.02501	2.3
146.08301	1.7
155.03508	1.9
159.02994	6.1
161.04570	23.1
167.03528	2.2
185.08186	8.6
192.95845	1.9
215.09242	2.3
218.10399	1.7
275.07764	2.3
275.11261	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	275.2019
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
53.06021	0.9
59.01380	4.2
64.57339	0.9
69.53954	5.7
72.09851	1.2
79.42818	1.0
98.22579	1.1
114.52128	1.0
160.52708	0.9
177.16470	2.1
189.37283	1.0
191.23279	1.0
192.95830	1.8
208.93158	0.9
231.17484	4.3
231.21140	8.0
244.81641	1.0
275.16757	4.8
275.20166	100.0
276.20560	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	276.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
65.95536	14.2
69.04727	60.3
69.05151	100.0
79.24060	15.7
84.99409	13.3
98.21665	26.5
139.58089	15.0
152.60751	14.6
233.15538	17.0
276.16177	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	277.0751
Annotation	Sulfamethazine
Peak:m/z	Relative Intensity
57.74372	2.5
58.02975	16.1
59.01357	10.7
60.15506	2.4
70.89880	7.0
71.01369	5.8
71.04980	3.1
80.96502	2.7
84.04528	6.9
85.02927	5.7
87.00874	17.7
92.05069	6.0
96.96001	2.8
101.02406	3.5
110.09888	2.4
111.08130	2.9
113.02415	8.6
119.05048	3.2
120.98763	3.8
120.99666	73.7
121.02951	13.1
128.03528	4.5
128.05063	4.2
128.07156	4.6
129.05836	3.5
129.07497	3.6
130.05699	4.1
130.06638	62.9
131.03734	26.7
131.04994	4.9
144.03728	2.6
144.04576	29.7
145.06940	38.3
146.06172	19.4
146.08243	6.3
148.04057	3.9
155.06050	3.1
155.07185	4.3
165.05496	2.9
173.07182	2.6
174.05600	66.9
175.03912	4.6
175.05898	3.2
189.05916	86.6
190.05098	45.3
215.08174	5.0
218.04526	5.9
233.09392	16.3
277.07532	100.0
277.12189	4.5
278.07846	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	277.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.6
56.98335	1.5
58.02979	16.4
59.01380	3.3
62.93861	1.4
71.01374	1.8
71.29382	2.6
74.02474	2.1
81.71643	1.3
84.04552	4.7
92.05078	4.3
101.02434	2.9
113.02443	1.8
115.07675	2.1
116.03580	1.8
118.02963	2.6
118.06630	5.7
119.05002	1.6
120.04585	2.8
125.36299	1.5
128.03522	5.9
128.05121	8.8
129.05867	4.7
130.06641	95.7
131.03770	10.7
131.05045	2.6
131.06952	4.5
135.08160	2.7
144.04564	39.5
145.05350	1.8
146.06129	26.3
146.08258	4.4
148.04050	6.6
159.03166	1.4
160.04001	3.1
161.04825	3.0
172.04037	5.9
174.05620	100.0
175.05905	4.6
189.09270	1.8
190.05113	68.7
191.05411	2.3
215.08263	6.2
218.04533	8.8
277.08170	4.9
290.60596	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	277.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94615	1.5
57.03443	1.9
58.02979	21.6
59.01391	6.4
60.01724	1.4
67.95692	1.3
70.25092	3.1
71.01391	2.0
71.04992	2.0
84.04551	5.6
85.02975	3.0
92.05065	3.0
99.00924	2.3
101.02439	2.0
113.02467	4.1
116.05052	2.9
118.03027	3.7
118.06661	5.3
120.04578	2.8
120.99673	4.4
121.02929	2.6
128.05087	11.6
129.05844	6.8
130.06635	97.6
131.03790	27.9
131.04938	3.0
131.06992	2.3
133.03004	1.5
144.04568	41.4
145.05167	1.4
146.06140	29.5
146.08275	4.7
147.06561	1.7
148.04022	2.3
161.02473	1.6
161.04811	2.6
161.06117	1.7
162.05635	1.4
172.04060	5.0
174.05609	100.0
175.04167	1.3
175.05974	5.3
190.05106	71.3
191.05399	3.4
199.84369	1.6
215.08302	3.2
218.04616	12.4
259.94846	1.3
267.29733	1.3
277.08298	8.8
277.12125	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	277.093
Annotation	Tuliposide A
Peak:m/z	Relative Intensity
50.38489	2.3
55.01871	5.7
57.03442	4.4
58.00578	4.9
59.01379	62.7
67.01324	2.1
69.03436	3.8
69.68675	13.1
71.01385	100.0
71.05033	4.5
73.02956	22.6
78.95959	2.2
83.01386	9.6
85.02958	40.2
87.00851	3.8
89.02019	2.9
89.02457	26.8
90.32394	2.2
95.01409	9.3
96.96957	5.3
97.02945	15.2
99.00849	7.6
101.02450	58.3
108.78210	2.1
113.02463	35.4
113.27266	2.1
115.04011	39.4
119.03489	13.2
129.01933	2.6
130.02089	2.6
143.03513	4.7
159.02948	6.8
161.04607	23.2
222.87756	2.6
233.10342	5.5
249.75055	2.2
267.32404	2.5
277.09293	15.3
297.29489	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	277.2174
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.23702	0.6
59.01378	6.2
62.30699	0.5
64.17085	0.5
71.01400	0.8
83.21420	0.6
94.95551	0.5
98.21812	1.5
112.48557	0.6
121.71840	0.6
127.07630	0.8
133.69511	0.5
152.91743	0.7
205.15891	1.3
233.15617	0.7
233.22641	1.1
241.79208	0.6
277.18271	8.1
277.21716	100.0
278.22061	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	277.2175
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
50.54854	0.3
53.45531	0.3
57.11759	0.3
59.01387	1.8
67.26827	0.3
71.01390	0.5
71.05745	0.4
71.06084	0.7
104.58424	0.3
139.62926	0.4
160.23289	0.4
163.74557	0.4
243.75880	0.4
259.20621	0.5
275.20111	0.6
277.21744	100.0
278.22061	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	278.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15357	22.6
55.01870	20.9
59.01370	89.5
63.83491	19.4
71.01382	100.0
71.27750	20.4
71.28116	35.0
73.02934	35.3
73.50843	20.6
77.10840	19.0
80.95882	21.0
82.35323	21.8
83.66718	22.7
85.02955	43.5
95.37344	24.7
99.04542	21.9
101.02438	81.1
113.02449	70.2
119.05056	27.8
119.91049	21.3
121.02943	26.2
132.03056	29.1
141.01970	21.5
147.08420	29.7
161.04594	37.3
279.05228	22.6
279.09970	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1088
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
55.01878	3.2
58.00590	1.3
59.01386	56.6
70.79908	3.9
71.01386	39.3
71.05032	10.9
72.99306	2.9
73.02944	3.6
81.03474	11.4
83.01405	4.2
84.02183	2.3
84.07861	1.1
85.02962	13.1
87.00866	1.1
89.02455	29.6
93.03506	1.3
95.01419	2.9
99.00899	2.6
99.04533	17.1
101.02454	23.8
101.06097	1.6
105.85648	1.2
113.02467	13.9
113.06123	2.0
117.05590	82.0
118.05928	1.5
119.03506	11.8
126.83414	1.1
159.02931	3.0
159.06641	2.8
161.04565	6.3
179.05659	1.3
191.05690	2.3
223.19737	1.1
279.10873	100.0
280.11258	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	279.1086
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
53.42245	1.0
56.02939	1.0
57.03452	1.3
58.00586	4.3
59.01384	100.0
69.23203	7.9
71.01389	57.1
71.05013	2.3
72.01714	1.3
72.99300	4.2
73.02955	1.9
82.86726	0.9
83.01389	2.6
85.02962	10.7
87.00872	2.6
89.02453	75.6
95.01388	4.8
95.94598	0.9
101.02455	38.8
113.02468	24.0
117.05595	22.7
119.03514	36.4
131.03502	3.1
143.03511	3.9
149.04584	1.2
161.04533	2.6
179.05640	3.2
184.65388	0.9
212.40874	1.2
231.87584	0.9
261.88287	1.0
279.10873	57.5
280.11346	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	279.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
57.03455	1.4
58.00575	3.5
59.01383	100.0
70.64571	2.9
71.01386	49.0
71.05028	1.8
72.99300	4.9
83.01386	1.9
85.02946	9.4
87.00855	2.2
89.02453	66.6
95.01399	3.4
101.02456	31.6
113.01738	1.4
113.02469	22.8
117.05585	15.3
119.03510	30.4
128.21011	1.0
128.99831	1.1
131.03487	2.3
143.03499	3.4
149.04581	1.7
154.41975	1.2
161.04602	2.7
179.05644	2.4
232.32899	1.1
236.02249	1.1
279.10870	38.9
280.11249	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	279.1087
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
51.30602	0.7
55.01859	1.2
58.00595	1.6
59.01381	49.1
70.69915	2.4
71.01385	22.8
71.05028	13.4
72.99318	0.8
73.02963	0.9
83.01381	2.0
85.02951	5.7
87.00874	1.4
89.02447	23.0
95.01377	2.5
97.43472	0.8
99.03937	0.9
99.04496	3.8
101.02451	11.9
101.06094	2.0
103.09623	0.7
104.65553	0.8
106.43074	0.9
113.02460	7.9
113.06084	1.4
117.05582	77.4
118.05971	2.0
119.03516	8.4
137.24702	0.8
142.94000	0.8
159.06618	2.0
179.05545	1.1
229.47835	0.8
279.10855	100.0
280.11194	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	279.124
Annotation	Phaseolinone
Peak:m/z	Relative Intensity
53.95962	0.8
55.01880	1.3
57.03456	7.4
59.01390	7.3
71.01387	8.3
71.05027	2.3
71.15630	0.8
71.29781	1.4
72.99302	1.5
73.02946	3.4
81.03458	1.5
82.24435	1.0
83.01421	1.0
83.05033	26.3
85.02953	3.2
93.03480	2.9
95.00912	0.9
99.00891	1.4
99.04524	2.1
101.02453	6.0
109.01694	5.1
113.02465	3.4
121.02935	3.1
123.08181	1.7
127.03997	4.0
133.06593	1.9
135.04510	0.9
135.08165	11.3
136.05249	1.2
138.06874	2.1
145.06651	1.4
146.08232	7.8
147.04568	1.2
147.08183	2.2
148.01671	1.3
148.08649	1.0
149.02412	1.1
151.07715	1.1
153.09236	4.2
156.15189	0.9
157.06602	1.3
159.04520	1.9
159.08102	4.8
160.08949	4.4
161.04559	2.8
161.06082	2.3
164.07164	3.1
171.08282	1.0
173.06070	3.6
173.09677	5.7
174.10458	1.7
175.11302	31.9
175.45387	1.0
176.01161	8.6
176.11630	1.2
187.07663	6.5
187.11276	1.9
189.12872	4.8
191.03517	10.5
191.07423	2.3
199.11334	2.7
201.09254	9.3
202.10005	100.0
203.10330	4.9
217.12332	59.9
218.12628	2.7
235.09679	1.9
244.06178	3.2
246.49573	0.9
262.07196	1.7
279.09222	3.0
279.12372	40.3
280.12955	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.124
Annotation	Nigellic acid
Peak:m/z	Relative Intensity
51.98788	0.7
55.01871	1.2
57.03451	8.7
59.01383	2.9
69.03450	3.2
71.01373	1.6
71.05019	1.6
71.31775	0.8
73.63997	0.9
79.05529	1.2
81.03462	3.2
83.01388	1.0
83.05038	5.8
84.02180	0.9
87.04513	1.4
93.03469	2.0
95.05034	2.8
97.02967	9.7
97.06576	1.4
99.04529	7.2
102.01114	0.8
107.05034	2.6
109.02965	2.7
109.06615	2.6
111.04511	4.3
119.05036	0.9
121.06620	5.2
122.03770	1.4
123.04548	1.7
123.08168	3.5
125.06089	10.9
133.02948	3.0
133.06667	1.7
135.04526	3.1
135.08168	2.7
136.04327	1.5
136.05309	19.2
137.06052	1.2
137.09732	4.3
139.07655	5.8
147.04582	0.9
147.08206	3.5
147.11819	3.4
149.06088	1.7
151.07660	100.0
151.11270	10.1
152.07991	3.3
153.05653	0.7
155.07188	0.7
156.09462	4.0
157.10284	1.0
158.07393	3.5
159.08139	1.3
161.06125	1.5
161.09727	1.4
162.06889	2.4
163.07582	1.0
164.08412	1.0
165.05588	1.1
165.09209	2.4
167.07143	3.5
168.07930	27.7
169.08716	8.3
171.08185	4.0
171.11792	5.7
173.09668	6.9
175.07628	0.9
175.11212	4.8
177.09186	1.6
177.12881	1.1
178.02710	1.1
179.07167	6.8
179.10832	2.3
184.08955	18.7
185.09325	1.0
187.07698	2.3
187.11299	12.4
189.09209	2.7
189.12825	12.2
190.09969	1.0
191.10808	2.1
199.11281	12.7
201.09235	9.4
202.10010	4.3
203.10712	1.2
205.12350	36.3
206.12711	1.8
215.10809	5.4
217.12344	56.3
218.12642	3.0
231.10182	0.8
235.13371	8.9
236.13878	1.0
243.10294	1.4
249.11279	1.0
261.11292	3.2
274.89575	0.8
279.09235	1.4
279.12418	18.7
279.15533	1.2
289.56970	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1454
Annotation	Hexane-1,5-diol 1-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.54345	1.3
52.98223	1.3
54.20552	1.5
55.01870	5.9
57.03442	6.2
57.06037	1.5
58.00587	4.0
59.01388	73.5
62.48585	1.6
68.99792	2.2
69.65405	7.0
71.01389	100.0
72.99304	5.2
73.02961	23.7
78.66634	1.6
81.03452	4.1
83.01402	13.4
85.02958	44.9
87.00881	3.4
89.02458	35.6
95.01370	7.9
96.00936	1.6
96.96029	3.4
96.99295	1.7
97.02946	3.7
99.00887	12.9
99.04530	5.9
101.02452	72.6
111.00856	2.4
113.02470	33.9
117.09239	3.0
118.02969	2.6
119.03507	16.1
119.05099	1.7
121.03002	7.7
131.03543	2.4
132.03029	2.9
133.06581	3.0
135.04524	2.0
137.09717	4.8
141.86922	2.0
141.93282	1.9
143.03519	5.6
159.03030	8.6
161.04591	38.6
163.58865	1.5
175.07623	4.7
176.01137	1.9
179.05630	3.9
179.57841	1.5
191.03439	2.7
200.87767	1.8
279.05280	4.2
279.10577	4.8
279.14474	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1603
Annotation	Acrostalic acid
Peak:m/z	Relative Intensity
53.30624	5.7
56.85332	5.2
57.03444	7.7
59.01386	44.2
67.07861	6.0
69.03460	5.9
69.11184	60.9
81.60384	5.7
83.05024	11.7
83.45358	5.8
85.02923	5.6
95.05039	17.3
97.02961	18.0
97.06591	30.9
98.21725	10.8
113.06078	8.6
119.24142	5.8
123.04475	6.6
133.06599	7.7
137.09727	13.1
149.06094	8.4
149.09660	7.7
153.09221	11.7
155.91673	6.0
163.11278	36.2
176.72459	8.1
181.08769	8.5
181.12340	14.0
189.12865	6.9
217.15967	100.0
235.17014	8.1
261.14926	43.3
279.15924	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1604
Annotation	Acrostalic acid
Peak:m/z	Relative Intensity
54.22935	2.6
57.03452	6.3
59.01381	46.3
59.11242	2.5
69.03462	3.3
71.01384	3.9
73.46310	2.5
81.03465	8.0
83.01384	3.3
83.05016	12.2
85.02966	3.1
95.05021	16.9
97.02949	18.3
97.06606	27.2
99.04496	2.6
107.05090	2.9
108.66721	3.0
109.06630	3.9
113.06114	3.9
118.08748	2.8
119.19364	2.8
121.10225	5.8
123.04532	9.0
125.06075	3.5
133.06590	7.8
135.08177	8.7
137.09712	15.2
139.07594	15.1
149.09723	7.5
151.07655	3.1
153.09195	4.8
161.09769	3.4
163.07680	6.0
163.11293	34.9
165.09213	3.4
166.09920	3.7
175.11275	3.8
181.08742	10.0
181.12396	8.3
189.12875	8.6
217.15977	100.0
218.16345	3.8
235.17026	4.2
261.14975	30.5
262.15619	2.8
262.44177	2.6
279.09689	3.5
279.16040	32.3
279.22949	4.1
280.06155	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	279.1604
Annotation	3,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-methylcyclo-hexanecarboxylate
Peak:m/z	Relative Intensity
52.51915	10.3
57.03441	11.1
59.01376	35.6
61.98777	9.1
69.03450	9.4
70.91879	19.4
71.01396	46.7
81.03448	12.4
83.05035	22.8
91.50049	10.3
97.06599	39.1
99.04538	13.5
108.58945	9.5
111.08170	12.8
121.06616	13.9
123.08160	38.8
125.09647	11.5
135.08199	16.0
137.09717	24.8
151.07649	16.5
153.09256	27.9
155.10757	20.2
161.64217	9.4
163.07654	39.2
163.11302	11.9
181.08728	36.6
181.12355	30.6
197.90456	12.4
207.17529	10.0
217.15977	86.1
235.17111	47.7
261.15082	26.5
279.16092	100.0
279.19400	14.7
280.16623	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	279.2331
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
55.78400	0.8
59.01379	0.9
60.99643	0.8
71.06012	1.3
87.42927	1.0
99.68758	1.0
166.18115	0.9
267.79285	1.0
279.01572	1.0
279.23312	100.0
280.23642	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	281.067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.5
71.01386	0.6
71.29887	0.9
78.31689	0.4
79.05534	3.9
80.02670	0.7
80.96499	0.4
83.05032	1.7
83.32615	0.4
87.00882	1.3
95.05045	2.8
96.96016	2.4
97.00416	0.5
97.06615	1.9
98.92030	0.5
101.02445	0.5
111.00952	0.7
111.04495	0.6
111.52916	0.4
114.19131	0.4
119.04999	0.5
121.02960	1.9
121.06586	0.5
123.08148	0.4
130.25229	0.5
133.03003	2.4
134.03752	42.7
135.04630	2.2
135.08148	0.7
137.02466	8.4
137.09758	0.6
139.04027	6.0
147.04530	0.5
149.04893	0.9
149.06093	14.9
150.03282	1.0
161.02472	3.1
171.11761	1.1
175.11324	0.9
177.05562	0.6
178.02727	32.3
179.03351	2.2
193.05077	100.0
194.05368	4.4
203.03494	1.4
221.04428	0.5
237.11469	0.8
237.14964	1.5
245.06805	0.5
281.06885	2.1
281.10388	1.4
281.13571	2.3
282.09592	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44859	0.7
54.37690	0.5
55.01885	0.9
57.03454	9.2
59.01379	4.3
65.03982	2.0
66.03487	0.9
69.03469	1.3
70.34138	2.4
71.01389	1.2
79.05539	7.8
79.95744	7.6
80.02692	1.2
81.03467	0.6
81.07136	0.7
83.05030	10.7
85.02960	1.1
87.00887	10.2
91.00968	0.7
93.03453	1.6
95.05042	8.6
96.96002	3.5
97.02972	0.8
97.06592	3.5
109.02983	1.9
109.06616	2.0
111.00922	0.9
111.04546	3.7
111.08183	1.8
119.05070	0.9
119.08741	1.5
121.02968	1.7
121.06611	5.0
123.08182	17.6
124.05322	1.4
124.08504	0.9
129.07133	1.2
132.53619	0.9
133.02946	3.1
133.06644	0.8
134.03755	52.1
135.04610	3.7
137.02454	10.8
137.06091	1.3
137.09750	2.4
138.05707	0.8
138.06851	0.7
138.83801	0.7
139.04016	8.4
139.07669	2.9
141.05545	0.7
145.10268	2.5
149.06100	19.2
149.09801	0.8
150.03276	1.0
151.07675	2.3
152.08392	1.0
153.09232	2.8
157.10301	0.7
161.02458	3.9
163.11414	0.9
169.08800	1.3
169.10266	2.9
171.10391	1.1
171.11800	19.5
173.09753	0.9
175.11299	1.2
177.05573	0.8
178.02730	40.8
179.03410	3.1
182.07089	0.6
185.09856	0.8
187.11453	0.7
189.12906	8.6
193.05077	100.0
194.05396	4.7
201.12852	7.0
203.03506	1.9
207.13930	4.7
219.06805	0.7
219.13916	4.2
221.04572	0.9
237.08080	6.3
237.14983	25.2
273.83844	0.8
281.07147	7.7
281.10669	2.0
281.13950	42.9
282.14304	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	281.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.8
58.00634	1.2
59.01385	5.5
60.99313	1.9
69.03448	1.9
69.56996	2.6
69.57288	9.0
69.61724	1.5
71.01382	2.4
72.18707	1.6
79.05537	100.0
80.02694	12.2
80.05869	2.1
80.96513	1.8
83.05038	17.9
93.03468	3.9
93.40902	1.7
95.04435	3.4
95.05038	62.3
95.05639	3.1
96.96027	8.9
97.06600	34.6
98.22558	1.5
99.04552	2.4
102.52921	1.5
106.58592	1.6
107.05032	5.3
109.01694	1.7
109.02960	2.2
109.06612	2.7
111.04533	5.0
122.83978	1.4
123.08160	4.0
131.93452	1.5
133.01468	1.7
133.02994	4.5
134.03755	4.2
135.04549	10.1
139.04024	69.5
140.04739	6.8
141.05611	8.6
149.06107	2.5
149.09698	2.5
150.04227	3.3
157.10211	3.5
158.83449	1.4
161.02451	8.7
163.11331	3.2
171.11777	1.9
172.03778	1.5
175.03969	1.7
175.11298	14.9
177.05637	2.5
177.09129	1.5
177.15190	1.3
178.02753	1.9
179.03575	7.0
193.05048	8.5
193.12344	4.4
201.07327	1.7
203.03551	4.6
221.04529	2.0
237.11401	4.7
281.07047	5.5
281.10330	35.2
281.13895	12.1
282.10327	1.8
282.14008	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12329	1.4
52.41409	1.4
59.39783	1.6
60.99305	2.1
79.05539	100.0
79.95741	4.4
80.02692	16.4
80.05875	1.4
81.03497	1.9
83.05033	60.9
93.03455	2.8
95.05037	78.2
96.05400	2.1
96.96057	7.6
97.02960	1.8
97.06599	55.3
102.27514	1.5
109.06593	4.8
111.04552	5.0
111.23779	1.7
121.03001	1.9
123.08177	6.8
133.02919	2.6
134.03752	36.4
134.04732	2.8
135.04556	3.8
137.02461	5.9
138.06876	8.9
139.04025	80.4
140.04788	6.3
141.05605	6.7
149.06113	13.3
151.07684	3.1
152.08444	26.7
153.05551	1.8
153.09219	36.6
154.54358	1.5
161.01291	1.5
161.02472	6.5
175.11273	3.7
176.66954	1.4
178.02736	26.9
178.94897	1.6
179.03497	3.6
184.12090	1.6
189.12822	1.5
193.05070	63.9
194.05351	2.1
194.08221	1.5
201.12909	7.2
203.10735	1.9
204.11478	7.4
219.13928	16.9
221.04720	2.3
232.44539	1.6
237.08035	2.1
237.15004	3.2
263.12894	3.3
281.07031	6.5
281.10382	14.4
281.13959	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	281.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27645	3.0
56.64714	2.7
57.03475	3.5
58.00604	3.1
59.01386	10.7
60.99331	4.4
68.01423	4.4
69.03441	5.7
71.01394	3.5
72.99320	3.5
73.02978	4.3
78.30175	2.9
79.05546	24.8
80.02700	6.2
83.05032	12.3
95.05044	25.3
96.96025	3.7
97.06620	13.9
98.22542	7.1
107.05046	8.3
109.02985	5.8
111.04588	2.6
119.05061	5.0
123.08155	2.9
131.05038	5.4
133.02986	15.4
133.06592	3.8
134.03691	5.3
135.04536	29.9
138.05632	27.5
139.04042	24.5
139.07668	3.3
141.05618	4.6
141.07143	3.3
142.05025	2.9
149.06105	10.7
151.07718	4.0
155.08694	4.3
157.10255	7.8
159.04559	4.9
159.08167	5.7
161.02460	50.0
163.11302	4.0
171.08257	3.2
173.09775	16.9
175.04044	4.5
175.11304	83.6
177.05537	14.1
179.03519	34.5
191.10815	4.8
192.06693	17.9
200.93542	2.7
203.03571	13.3
219.10327	7.0
219.13908	3.5
221.04619	18.9
227.77887	2.8
229.02821	4.5
236.42833	3.3
237.09027	7.2
237.11343	100.0
244.05472	2.7
263.09183	4.6
281.07434	6.9
281.10385	32.0
281.13953	16.7
282.09937	12.7
302.61353	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	281.1396
Annotation	Carolenalol
Peak:m/z	Relative Intensity
55.01880	2.7
57.03447	18.7
59.01377	12.0
61.14033	1.5
65.03949	3.0
67.57427	1.5
68.01426	1.5
69.03442	6.0
70.54043	1.3
71.01374	1.4
71.05022	2.6
73.02981	1.3
75.77860	1.6
79.05524	1.5
79.95728	2.8
81.03451	2.2
83.05032	19.2
85.02949	2.4
87.00877	18.2
93.03468	3.2
94.60467	1.3
95.01360	1.4
95.05032	8.5
96.96032	6.9
97.02969	2.9
97.06583	2.4
108.37934	1.4
109.02936	3.2
109.06604	2.3
111.04531	9.1
111.08173	4.4
113.06096	1.9
119.05054	2.0
121.06597	12.0
123.03241	1.6
123.08174	35.1
124.05312	3.7
133.02933	5.6
134.03749	20.4
135.04570	10.3
135.08130	3.4
137.02475	3.5
137.05991	2.5
137.09749	5.5
138.05617	14.0
138.06874	2.8
139.04037	3.6
139.07684	7.5
143.82706	1.4
145.10240	5.7
149.06087	7.7
149.09702	2.4
151.07669	7.1
152.07155	2.3
153.09256	5.4
161.02478	10.6
161.09760	1.7
163.11235	2.3
169.08812	2.2
169.10222	5.3
171.11807	45.8
177.05553	2.3
178.02693	11.8
179.03427	7.4
180.06596	1.7
189.12871	16.5
190.13220	1.9
192.06676	8.9
193.05074	41.2
201.12871	14.8
203.03529	4.6
207.13884	10.8
219.13969	8.4
221.04610	4.5
237.14966	60.5
240.08820	2.9
281.07034	5.3
281.13956	100.0
282.09927	5.6
282.14200	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	281.1759
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
59.01385	7.6
64.63366	1.8
66.02086	1.7
66.52690	2.1
69.03461	7.0
69.63264	2.9
69.63666	9.2
71.01399	2.8
83.05046	2.3
93.07082	1.9
97.02976	5.9
97.06623	4.0
98.21842	2.5
101.28535	1.7
109.06597	4.5
111.08162	51.0
112.08522	1.5
121.10255	2.5
123.08176	4.4
125.06082	3.5
125.09753	10.7
127.07733	2.2
137.09752	3.2
141.09215	4.8
143.07138	4.5
149.09758	3.4
151.07710	4.4
153.09247	5.3
155.07294	1.8
155.10831	5.2
165.09254	1.9
165.12859	4.8
169.08717	100.0
170.09102	2.0
171.10306	5.4
180.19637	1.7
183.10254	16.2
183.61549	1.9
197.11838	11.8
199.09654	8.1
219.17549	10.6
235.17038	7.0
237.14987	3.2
263.16537	28.0
281.14462	1.8
281.17584	41.3
282.18121	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	281.1761
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
57.03455	8.4
59.01382	85.0
61.87590	5.1
67.62590	4.3
69.03461	10.1
70.78592	9.8
76.15126	4.4
81.03458	9.0
81.05017	4.4
83.01398	14.3
83.05035	29.0
85.02894	5.0
95.05045	20.7
97.06612	37.8
111.50893	4.1
112.95719	5.1
127.11311	9.0
133.06586	5.4
135.08167	9.2
137.09734	15.2
139.07689	39.8
139.11302	22.3
163.42065	4.3
165.12866	74.3
167.10764	9.8
181.08716	38.6
183.13904	57.3
191.14378	6.2
219.17542	100.0
237.18503	10.5
253.18179	5.3
263.16522	31.7
281.17621	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	281.1761
Annotation	Nardosinanol D
Peak:m/z	Relative Intensity
52.37715	7.9
57.03454	15.3
59.01374	28.5
60.18973	6.8
67.91261	7.4
69.03463	10.3
71.05023	14.9
71.30801	8.4
73.02950	20.1
74.46642	7.3
83.05049	11.3
97.06571	15.3
108.54326	7.9
109.06535	12.0
111.08173	43.5
125.06001	9.2
125.09760	22.2
135.62415	7.5
137.09689	10.6
141.93175	7.0
143.07173	22.0
144.38123	7.2
155.07109	12.9
165.87483	7.1
169.08742	61.1
170.57469	8.7
181.12364	73.6
183.10231	10.2
193.12384	13.2
195.13937	21.1
197.11864	17.1
201.16475	8.2
205.12325	17.2
223.13445	45.0
263.16605	57.0
265.54022	7.6
281.17609	100.0
282.17770	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	281.1761
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
57.03453	1.7
58.24435	1.4
59.01386	7.5
69.03472	2.4
71.01395	2.2
73.02951	1.7
83.05023	1.8
95.05027	2.0
97.06612	2.0
109.06592	2.2
111.08176	35.1
111.08906	2.2
114.56885	1.2
121.10218	1.6
123.08200	3.9
125.09752	10.9
127.07671	4.2
135.08177	1.6
139.07640	1.7
139.11317	3.3
141.09235	4.7
149.09727	2.3
151.07693	3.6
153.09248	4.4
155.10843	3.2
165.09204	1.6
165.12869	2.4
169.08728	100.0
170.09091	1.6
171.10240	7.0
183.10304	12.3
199.09776	3.1
219.17561	3.8
226.08615	1.9
235.17079	9.0
237.14886	3.4
237.17206	1.3
263.16541	15.8
281.17599	26.9
282.18103	1.4
289.34982	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	281.1762
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
59.01393	21.0
61.21751	9.5
68.90812	9.6
80.98719	8.8
83.05040	15.3
97.02939	11.5
97.06641	11.2
98.21778	20.1
109.51896	8.9
111.04549	13.6
111.08161	45.3
125.09761	11.4
155.10754	15.5
161.02449	9.9
169.08717	90.9
183.10292	54.6
197.11923	47.3
245.15402	10.5
263.16592	54.5
281.11688	17.1
281.17596	100.0
304.63245	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2487
Annotation	Vaccenic acid
Peak:m/z	Relative Intensity
51.65224	2.1
54.71461	1.8
62.89348	1.7
67.51376	1.7
98.22533	4.5
106.51643	1.9
109.07764	2.1
211.58255	1.8
225.62022	2.0
273.66391	2.0
281.24893	100.0
282.25192	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97712	0.4
57.03453	2.2
59.01374	0.9
62.61139	0.4
69.03448	1.5
69.85329	1.7
71.01376	0.6
71.46346	0.4
74.49385	0.4
79.05540	0.5
81.03432	0.4
83.05018	1.5
85.02957	0.4
87.00900	0.5
93.03467	0.6
95.05030	0.6
96.48560	0.3
96.96027	0.9
97.06619	1.4
119.05043	0.5
121.02966	100.0
122.03324	2.7
123.04478	0.5
135.04541	0.7
137.09700	0.9
139.07697	0.4
139.11278	0.5
154.05099	0.4
163.03981	0.6
163.11253	1.0
180.06912	0.6
181.12422	0.7
193.07635	0.5
194.17136	0.4
195.09291	1.3
203.14362	0.8
205.12453	0.4
221.07217	0.6
221.15494	1.0
239.08327	0.5
269.29837	0.4
283.06357	1.8
283.15448	2.4
283.26425	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	283.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.5
59.01389	8.2
71.01399	4.3
71.28843	0.9
73.02932	3.9
75.00906	1.0
83.01361	1.2
85.02961	2.0
92.37116	0.9
93.03464	1.2
96.96028	7.7
101.02452	3.1
108.02212	0.9
113.02412	2.1
117.03484	5.4
117.46562	0.9
119.05038	21.2
121.02969	100.0
122.03316	2.4
133.06607	4.1
145.02969	20.1
161.04852	1.4
161.06093	8.0
163.04016	12.1
181.05061	3.5
187.04025	1.5
191.07123	1.4
205.05032	5.5
242.84795	0.9
265.07217	7.2
283.08563	2.8
283.11801	1.0
283.15506	2.2
283.26483	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	283.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.9
57.03450	17.1
59.01382	4.6
63.14404	0.3
69.03455	4.4
71.01388	1.7
71.05021	0.8
71.31428	0.4
72.48354	0.3
72.52171	0.3
72.99304	1.0
73.02929	0.5
75.00865	1.4
79.05544	3.5
81.03479	0.7
83.04578	0.6
83.05025	6.0
85.02957	3.0
85.06603	2.0
87.00885	0.4
89.02439	0.6
93.03481	0.8
95.05047	5.2
96.96026	0.4
97.02956	1.7
97.06598	6.4
99.04509	0.6
101.02477	1.2
107.05042	0.5
109.06607	1.2
110.13497	0.3
111.04520	0.5
111.08159	4.1
113.02450	0.5
115.04041	0.5
116.21277	0.3
119.04997	0.8
121.06609	2.0
123.08162	1.1
124.21039	0.3
125.06123	0.6
133.10268	0.5
135.08195	2.9
137.09734	8.7
138.10037	0.5
139.07623	1.7
141.05608	1.8
141.09222	0.7
145.06599	0.7
145.10207	0.4
149.09741	0.8
151.07590	0.3
151.11319	3.6
153.09172	0.6
160.08960	0.8
161.09677	0.4
163.04025	0.7
163.11302	4.4
165.09225	0.6
173.09715	1.1
177.12846	0.8
178.09984	0.9
181.12346	6.8
183.04507	0.5
187.11241	3.0
195.10484	1.7
203.14418	18.3
204.11551	0.4
204.14716	1.0
205.12381	0.9
205.23172	0.4
211.04131	0.4
221.15477	43.7
222.15889	2.6
223.13406	0.9
227.03383	1.8
239.09108	0.8
239.16551	4.7
255.02992	2.6
281.68765	0.4
283.15521	100.0
283.26340	6.4
284.03241	2.3
284.15891	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	283.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	4.9
57.03452	13.4
59.01388	100.0
71.01396	21.5
71.28656	4.9
73.02949	6.3
83.01395	4.9
85.02969	11.8
87.35358	4.0
89.02484	3.2
93.03493	3.6
95.05019	4.0
97.02985	3.8
97.06631	5.8
99.89438	3.4
101.02463	14.1
113.02515	8.8
118.25672	3.2
119.05032	8.2
132.04582	4.3
137.09854	3.9
161.04535	4.6
163.11278	5.7
195.10341	4.0
203.14450	8.0
221.15517	15.1
227.03516	5.8
237.09370	3.8
255.03033	13.1
283.02417	5.6
283.05054	8.3
283.09616	7.7
283.15451	42.1
283.26517	33.4
284.03116	4.3
294.51459	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	283.1706
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
50.52884	0.5
52.22741	0.6
53.22285	0.6
68.89437	0.6
68.99996	1.4
69.00406	5.1
83.87659	0.5
89.18447	0.5
97.48244	0.6
97.65453	0.5
107.05040	100.0
108.05382	2.0
123.04418	0.6
163.11305	96.2
163.68631	0.6
164.11618	4.1
203.61632	0.6
255.03072	1.0
283.02756	1.1
283.17065	86.1
283.22766	6.0
283.26404	1.6
284.17432	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	283.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29504	3.4
57.03450	7.2
59.01400	15.7
70.15077	10.5
70.15412	3.9
79.13850	4.0
80.29501	2.9
99.08198	4.5
109.06636	3.3
113.09748	7.4
121.10247	5.6
123.08157	3.7
125.09753	3.2
129.09245	14.4
137.09677	3.5
139.11307	10.9
141.09254	12.4
153.09222	13.3
155.10744	5.8
165.09172	3.2
169.08684	7.9
171.10266	7.2
183.10281	41.2
188.09653	2.8
203.18031	10.6
221.19092	3.4
247.17072	4.1
255.36308	2.9
265.18066	28.1
283.02478	3.8
283.19177	100.0
283.26352	21.4
284.19601	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	283.1918
Annotation	Koninginin C
Peak:m/z	Relative Intensity
54.67091	1.1
57.03445	6.6
58.94132	1.2
59.01383	13.3
69.03445	2.2
72.46129	1.2
76.04413	1.2
83.05048	2.8
95.05076	1.6
97.06612	2.4
99.08154	7.8
99.48843	1.2
109.06573	2.0
111.08170	2.8
113.09748	8.3
116.44071	1.4
119.08735	1.6
121.10249	12.8
123.08163	4.6
125.06152	1.9
125.09739	4.6
129.09204	8.1
139.11285	9.9
141.09230	9.0
143.07152	2.1
149.13377	2.3
151.11169	1.2
153.09216	15.6
155.10815	6.8
165.09224	4.2
169.08716	16.2
171.10275	11.7
183.10280	44.2
183.55482	1.4
184.10643	1.7
203.18068	13.4
221.19083	3.7
237.18655	1.4
239.34912	1.5
247.17079	3.9
247.26889	1.5
255.03065	1.6
265.18088	27.5
266.18561	2.5
283.02451	1.7
283.19171	100.0
283.26282	11.3
284.19412	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	284.0117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22643	1.9
59.01402	2.8
63.38660	2.0
69.97582	8.3
72.99302	2.0
78.95908	14.3
79.44756	2.2
96.96037	3.6
98.21886	3.2
99.92311	2.4
99.98930	4.5
102.84479	1.9
112.92319	8.7
113.92431	2.6
114.98885	43.6
127.02525	3.7
130.20842	2.1
134.96077	2.6
136.94035	30.6
136.94992	4.9
140.02040	2.6
140.91788	7.4
141.91925	4.0
141.99976	100.0
143.00104	3.9
143.02031	2.7
146.85748	1.9
152.91838	2.1
154.90619	4.3
154.93393	3.7
154.98409	3.4
155.90729	2.5
155.93420	2.0
156.90375	2.4
172.18021	2.2
184.01044	30.6
196.00995	13.0
206.95589	3.8
214.02068	14.1
224.04167	76.8
225.04390	3.4
236.95621	5.9
242.05251	11.0
242.89816	2.4
255.91890	2.8
266.96814	6.2
283.26474	15.3
283.90479	3.8
284.01187	35.4
284.06085	3.1
284.26807	4.2
284.98477	11.1
285.01266	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	284.0322
Annotation	Cgs 15943
Peak:m/z	Relative Intensity
54.04807	0.5
59.43687	0.6
59.49832	0.7
63.02404	1.0
63.84344	0.6
65.00332	2.4
71.31563	0.8
83.01414	0.6
88.04053	1.2
93.03475	2.3
107.01393	5.1
108.02222	0.8
109.02952	0.8
117.03469	0.5
132.02185	4.4
132.03061	2.2
135.00900	5.7
139.05650	0.5
143.05011	1.6
151.00401	2.2
155.04985	0.6
157.06525	0.7
159.04536	2.2
163.00385	2.3
164.01201	1.2
166.68475	0.6
167.04999	1.7
169.06627	1.0
171.04532	1.4
182.03862	0.7
183.04498	5.4
184.04973	0.6
185.02451	5.9
185.06102	1.8
187.03978	3.7
192.14754	0.6
199.03996	1.8
205.39699	0.5
211.04001	7.2
212.04393	0.6
213.01970	1.8
213.05641	1.2
215.74538	0.6
227.03505	57.0
228.03902	3.3
229.05066	6.9
239.03537	2.0
241.05066	0.9
255.02989	94.2
256.03479	8.4
257.04507	3.5
267.02679	0.8
283.02493	1.1
283.26382	2.4
284.03262	100.0
285.03979	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0982
Annotation	Salicin
Peak:m/z	Relative Intensity
51.85126	0.2
52.73128	0.2
53.39386	0.2
57.03452	0.3
58.48925	0.2
59.01380	0.7
65.08534	0.2
69.15108	1.5
69.15534	0.5
72.06605	0.2
76.11218	0.2
81.95564	0.2
83.05016	0.2
103.60844	0.2
105.03487	0.2
108.02192	0.8
122.03742	2.0
123.04543	100.0
124.04858	2.8
138.05621	0.3
169.06615	0.3
182.11966	0.3
197.06030	0.8
225.05687	0.4
241.14485	0.6
282.60016	0.2
285.04211	0.5
285.07602	0.4
285.09625	0.7
285.13425	0.6
285.16400	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83218	0.5
56.06526	0.5
59.01389	2.9
64.21976	0.6
70.24866	1.6
73.01173	1.6
73.44086	0.5
73.98322	100.0
74.98696	0.5
74.99104	11.6
74.99533	0.7
83.05038	0.8
95.05053	2.5
96.96011	3.0
101.00676	5.1
109.06612	1.2
113.00680	0.6
123.08177	0.8
130.84067	0.6
131.01740	8.0
133.10292	0.7
135.08192	0.9
135.11858	0.9
149.85117	0.5
177.12846	3.7
179.09036	1.3
179.10651	0.5
183.12163	0.6
189.12872	6.8
207.13957	1.8
209.11847	4.7
211.08058	1.1
211.11684	1.7
214.50206	0.6
221.11870	3.0
223.08017	0.6
223.13492	0.9
227.11186	1.8
233.11858	4.0
234.12521	0.6
241.12781	1.0
251.12979	1.0
255.10660	4.5
267.10678	1.6
285.04108	2.1
285.11633	9.5
286.11951	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2438
Annotation	2-Methoxyhexadecanoic acid
Peak:m/z	Relative Intensity
55.18781	0.9
68.07513	1.0
71.05953	2.3
84.78121	0.9
92.43540	1.0
136.58916	0.9
151.47943	0.9
185.89513	1.0
211.20731	2.2
235.20706	2.0
237.22255	4.8
239.23822	100.0
240.24055	7.8
267.23285	2.8
285.04269	1.1
285.24362	93.1
286.24713	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	285.2439
Annotation	2-Methoxyhexadecanoic acid
Peak:m/z	Relative Intensity
59.01373	0.7
62.48650	0.4
69.90544	2.0
75.91933	0.5
166.73279	0.5
202.98726	0.7
239.23839	3.7
267.23315	1.2
283.22733	0.5
285.04120	1.4
285.24359	100.0
286.24677	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72690	1.9
59.01375	7.4
61.98852	2.1
66.33837	1.7
71.28109	2.9
72.99313	1.9
73.02936	8.0
73.53564	2.2
84.04535	2.4
85.02972	3.0
92.05074	8.5
93.83295	2.0
94.02980	5.1
96.04576	2.5
98.17922	1.7
104.90768	1.8
109.01707	42.2
110.02492	100.0
111.00880	4.3
114.05620	7.5
116.05071	5.6
122.02487	2.1
122.06122	3.2
123.03280	10.6
124.00475	2.1
124.04065	65.1
128.03558	22.5
134.06116	8.3
136.04045	17.5
137.78140	2.0
142.05107	2.9
150.05652	4.5
151.06349	2.2
155.02260	84.8
156.01266	7.3
156.05057	2.0
156.08173	8.6
166.08675	3.0
169.08667	6.0
178.05112	13.1
182.02908	2.4
195.05440	10.1
196.06168	7.7
199.12450	4.1
210.07706	15.0
222.04111	8.1
225.10316	4.8
227.07991	3.8
243.11351	13.9
244.02827	2.9
254.06697	29.7
269.09375	6.9
271.06897	5.3
286.09586	12.5
286.12421	2.7
287.11002	6.2
287.14667	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	286.2391
Annotation	Prosopinine
Peak:m/z	Relative Intensity
59.01340	0.6
60.34975	0.7
69.00775	4.9
69.01173	1.6
70.02980	1.2
74.06110	2.1
83.88235	0.6
99.82819	0.7
117.07117	12.3
118.05186	0.8
125.09724	1.2
150.68457	0.7
156.16145	0.7
240.23309	3.6
242.21288	1.1
286.23907	100.0
287.16525	7.4
287.24332	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	287.0113
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78851	0.7
59.01375	5.0
71.01381	1.0
71.06381	1.4
72.99295	1.4
78.95902	8.0
81.26009	0.6
90.97121	1.1
92.95984	4.3
96.96011	1.0
99.00896	0.7
110.92622	2.8
114.92072	1.2
116.91752	1.2
116.98671	0.7
117.00432	5.0
117.95556	1.8
126.90348	4.4
128.89233	55.5
128.98759	0.8
129.89320	4.5
130.88959	5.8
132.95517	1.2
136.94054	1.1
138.92097	27.6
138.93712	7.3
138.94650	1.0
139.92140	1.6
142.91505	1.9
143.00226	1.2
143.99738	0.7
144.86984	100.0
144.95488	5.7
144.99933	6.5
145.95036	1.1
146.95198	1.1
152.93666	4.9
154.90634	1.0
156.90230	1.0
156.91377	0.9
156.93149	2.3
158.92754	0.8
159.01526	3.6
159.96590	0.8
160.94995	8.2
168.91434	5.8
168.93132	5.1
170.95996	3.2
172.88098	1.4
172.96767	0.9
174.95065	3.9
174.99280	1.6
186.94246	1.0
187.01013	2.0
190.96068	1.9
196.92589	1.1
196.97714	3.7
198.95557	1.3
198.99316	1.7
199.01070	1.0
208.95354	1.6
214.87738	5.3
215.87897	0.9
218.83588	0.7
226.94690	0.6
226.98830	1.1
228.89285	5.3
230.87245	17.6
231.87329	2.1
232.86926	2.1
238.95287	0.9
244.87085	1.7
244.95508	3.3
249.00221	2.8
250.06033	0.7
251.00026	4.3
256.88742	3.6
259.01663	3.0
262.96683	1.3
268.84753	0.8
268.96313	1.2
269.00058	0.7
274.89801	1.4
286.90091	13.5
286.97665	5.4
287.01187	4.5
287.89905	1.5
288.01074	0.8
304.90872	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	287.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97308	0.6
59.01382	6.5
61.98795	0.8
63.12951	0.6
69.19282	1.9
69.19711	3.4
71.01370	0.6
82.41363	0.6
83.05034	2.4
85.06596	13.2
90.12148	0.6
90.97134	0.7
111.04546	7.0
123.04539	1.3
127.04041	0.7
129.05595	26.4
130.05948	0.9
132.98209	2.2
174.99194	0.8
185.01366	9.6
197.01508	0.6
199.02844	11.1
199.04373	1.1
201.04442	3.2
227.02399	100.0
228.02795	3.5
240.26700	0.7
243.01929	0.7
287.04446	5.7
287.15082	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	287.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
68.90488	0.7
69.63685	2.2
69.64091	2.6
75.35542	0.8
76.63628	0.7
87.04504	0.8
87.59660	0.7
97.06565	0.9
102.31374	0.7
103.03200	0.7
103.07743	0.7
103.36313	0.8
123.08190	1.0
132.04572	1.2
145.04021	1.2
151.07664	1.7
155.06131	1.1
157.07762	2.1
169.08681	4.2
173.03587	6.0
181.07695	1.8
183.05626	13.0
215.04643	43.9
216.04996	1.6
243.07744	6.1
279.63660	0.8
287.06760	100.0
288.07071	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	287.104
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49405	0.9
58.02972	1.4
59.01369	3.3
63.90446	1.1
64.79984	0.8
69.03455	0.9
70.02976	1.9
70.86542	1.6
72.00916	9.9
74.02475	11.4
81.03006	0.9
82.06609	2.7
85.02943	1.6
92.05067	63.1
93.05395	1.7
94.02954	1.2
96.04525	3.1
100.04031	1.4
105.60379	1.0
109.06640	0.9
114.05614	60.2
115.06014	1.2
116.05070	52.9
117.05418	1.1
120.79614	1.0
125.02400	1.0
128.05080	2.2
130.06610	4.1
133.32225	1.0
136.04056	1.1
141.04564	1.4
141.09209	3.7
142.06606	6.8
144.08159	1.6
150.14168	0.8
154.06601	1.9
156.01288	1.1
156.06946	9.5
156.08174	77.3
157.07567	2.4
157.08691	1.4
166.06602	6.8
167.06175	1.0
168.08214	1.6
169.08891	1.6
170.06081	1.3
170.09775	9.9
171.09238	1.8
172.11330	2.2
179.88428	0.9
182.06148	1.3
182.08386	2.6
182.09758	6.7
183.09290	9.3
195.09370	1.5
197.10831	13.2
199.12415	25.4
200.07219	4.9
200.12666	1.0
207.09277	2.3
223.08743	1.7
225.10327	69.5
226.10617	3.7
243.11391	100.0
244.09483	0.9
244.11674	6.8
269.09320	78.9
270.09613	4.8
287.10397	42.6
287.15030	2.4
288.10770	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	287.114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	6.6
58.65941	0.6
59.01382	6.0
69.03464	2.9
70.80015	1.4
71.01379	3.3
71.05023	4.7
73.02915	0.6
73.85950	0.6
80.02650	0.6
81.03458	1.0
83.05034	1.7
85.02927	1.1
89.02421	1.5
91.03997	2.3
95.05038	6.9
97.03041	0.7
97.06597	17.9
99.04506	1.7
109.06570	1.1
115.03967	0.6
123.08180	22.9
124.08530	0.7
125.09743	4.9
133.06569	3.1
151.07661	29.4
152.07962	0.7
153.07306	0.6
156.08231	0.7
167.07199	0.6
169.08716	100.0
170.09068	3.5
183.10242	0.6
195.06624	6.5
207.06581	0.7
213.07701	14.4
214.08043	1.3
215.04553	0.9
234.98717	0.6
240.55394	0.6
243.11427	0.7
287.06534	1.1
287.11447	41.7
287.15002	5.2
288.11789	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	287.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.8
57.03448	6.1
59.01381	5.4
63.43203	0.6
69.03461	2.8
71.01373	2.6
71.05028	5.6
81.03463	0.7
83.05027	0.8
89.02443	1.3
91.04015	2.7
95.05031	7.3
97.06593	14.9
99.04520	1.0
109.06574	1.6
123.08178	21.0
124.08479	0.6
125.02435	0.7
125.09732	5.5
133.06612	4.0
151.07660	24.4
152.08018	1.0
169.08713	100.0
170.09064	2.0
195.06601	7.5
205.49240	0.7
207.03178	0.7
213.07683	12.9
287.11417	37.6
288.11771	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	287.114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
57.03223	0.5
57.03458	7.2
59.01382	6.7
68.45515	0.4
69.03465	3.6
69.03756	0.7
71.01388	3.5
71.05017	5.2
71.29968	0.8
73.02937	1.5
81.03442	0.6
83.05043	1.0
85.02937	0.9
87.00854	0.7
87.04555	0.5
89.02428	1.4
91.03996	2.3
95.05029	7.8
97.06594	16.0
98.06930	0.6
99.04515	1.7
102.98626	0.7
109.02943	0.6
109.06590	1.2
111.04498	0.8
112.54341	0.5
116.05160	0.7
123.08173	21.8
125.09730	5.1
133.06601	3.1
138.96317	0.6
140.29099	0.6
151.07658	25.0
169.08714	100.0
170.09012	2.2
171.27251	0.6
195.06639	7.4
196.07222	0.5
213.07713	12.9
213.11070	0.5
269.09900	0.7
287.11404	35.8
287.14859	2.3
288.11777	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.223
Annotation	10,16-Dihydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
52.99569	0.4
59.01377	0.4
65.68148	0.4
70.94316	0.5
70.94656	0.7
105.29072	0.4
117.07131	2.1
137.52206	0.3
209.19106	0.9
211.20680	12.7
212.21040	0.9
228.05412	0.4
235.70383	0.4
237.18674	0.7
239.20149	8.1
240.20450	0.6
241.21732	23.2
242.22034	1.4
243.17503	1.2
287.16656	5.7
287.22281	100.0
288.16190	0.6
288.22632	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1608
Annotation	Mesembrine
Peak:m/z	Relative Intensity
52.85576	0.4
55.57401	0.3
61.98823	0.6
81.03482	0.9
91.72689	0.3
92.05073	1.1
93.03477	1.4
98.21777	0.7
102.25160	0.3
107.03761	0.7
108.02206	0.7
108.04556	3.8
109.02962	4.0
109.18221	0.3
124.01637	0.5
134.02495	41.7
135.03287	8.4
136.04062	37.9
136.04846	0.7
136.05154	0.6
137.02470	1.2
137.04457	0.8
148.04021	1.2
149.04793	1.5
176.03549	5.3
176.07228	0.5
177.04303	0.6
188.44427	0.4
190.05186	0.8
204.06718	0.5
212.58920	0.5
229.90611	0.4
243.83337	0.4
253.12822	0.4
266.15854	0.5
288.16083	100.0
289.16309	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	289.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02984	24.3
69.22607	20.2
69.23018	10.7
70.02993	11.4
72.00906	5.5
74.02482	80.3
96.93732	3.7
98.02484	15.2
98.21760	8.1
116.03541	26.0
116.05071	36.6
117.11724	4.0
130.06593	4.9
142.06706	4.1
143.45523	4.0
159.09302	4.1
170.15041	4.4
203.08269	86.7
203.10133	4.6
215.12775	4.0
227.12936	10.7
245.09349	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	289.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	22.6
59.01373	11.0
64.07005	3.4
70.02982	11.5
70.76522	9.3
71.01373	9.4
72.00886	6.3
72.75754	3.5
73.02950	7.0
74.02483	100.0
83.01407	4.1
98.02494	21.6
102.98594	5.0
115.05828	5.1
115.97448	3.7
116.03547	32.9
116.05064	44.4
123.04547	10.2
142.06622	10.7
159.09311	8.8
201.10373	6.7
203.08270	99.8
204.08545	4.0
215.12968	9.3
227.12949	23.8
245.09315	95.3
246.09850	4.7
289.07800	6.0
289.14529	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	289.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.9
59.01382	6.7
65.44293	0.7
68.97372	0.6
69.26345	2.0
69.26766	3.9
71.01370	2.1
71.05019	2.9
73.02955	0.9
74.99091	1.7
79.81873	0.7
89.02447	1.3
91.04017	2.1
95.05029	2.2
97.02953	1.9
97.06592	12.0
99.00889	100.0
100.01228	1.3
111.00878	1.3
117.07105	2.3
118.98094	6.8
123.04548	2.6
127.11307	3.0
135.08174	6.0
142.02727	1.5
153.09229	28.4
154.09593	0.9
171.10291	12.9
179.07182	3.8
180.83015	0.8
197.08214	32.2
198.08543	1.2
215.09247	46.0
216.09637	1.5
217.08728	1.1
245.09213	1.1
253.40506	0.8
261.64572	0.8
289.07678	3.0
289.12943	41.1
290.13306	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	289.145
Annotation	3-Polyprenyl-4,5-dihydroxybenzoate
Peak:m/z	Relative Intensity
54.68149	0.8
56.03964	0.8
57.03447	1.7
58.44638	0.9
59.01380	5.8
65.03963	1.2
69.14263	7.5
70.28724	0.8
71.01383	2.5
73.02928	1.2
79.05524	1.0
81.03456	1.9
83.01390	6.5
83.05029	2.0
85.02969	7.1
86.00103	1.2
93.03455	7.0
95.01355	0.8
95.05029	1.7
97.02978	0.7
98.22578	1.7
101.02488	1.1
103.07186	0.9
104.43224	0.9
105.07123	1.0
107.05031	1.7
108.02172	1.1
109.02938	3.9
111.04540	6.3
119.08682	6.1
121.02938	2.9
121.06608	9.1
123.04544	9.9
125.02554	0.8
127.07594	1.0
135.04539	5.5
137.09735	46.9
138.10092	1.4
138.91008	0.9
139.04013	3.9
140.68204	0.9
145.02924	1.1
145.06625	0.9
145.10236	3.3
146.03735	1.1
147.08160	7.1
149.09727	2.8
151.04030	3.1
152.04791	1.8
153.12863	1.0
159.11792	1.4
161.09723	3.7
163.04036	3.7
163.11299	4.1
171.08186	29.8
171.09697	1.5
172.08539	1.3
173.06020	2.0
175.11281	1.4
185.09836	4.8
185.13385	1.7
187.11299	100.0
188.11687	4.0
189.09207	2.8
189.12872	1.6
191.03522	10.7
192.04330	2.3
196.08943	1.3
197.11894	1.2
199.07623	2.2
201.09183	1.5
201.12897	4.8
202.09993	2.1
203.14420	28.2
204.14883	0.9
205.12373	1.6
210.40918	0.9
211.11314	3.6
213.09329	1.0
214.09990	1.4
215.10869	1.7
215.12869	3.6
217.16064	1.8
225.12799	1.1
227.14424	17.1
229.12332	37.3
230.12939	6.4
243.13866	5.7
245.15466	34.1
246.12767	1.7
246.15735	2.6
271.13385	7.3
289.11096	1.8
289.14365	13.8
289.17551	1.5
290.14758	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.145
Annotation	Platensic Acid
Peak:m/z	Relative Intensity
55.01872	4.5
57.03433	4.0
59.01392	4.6
65.03976	2.5
67.01891	2.8
71.01373	7.8
71.05032	2.8
71.32181	3.1
79.05555	2.3
81.03442	4.6
83.01396	28.2
83.05032	3.2
85.02959	6.4
93.03442	5.1
93.07073	4.6
95.05021	5.6
97.02969	2.8
97.06583	9.8
99.00884	2.7
101.02446	2.0
106.04243	2.9
107.05036	10.8
108.02209	3.8
109.02911	4.1
109.06639	12.3
111.04517	2.9
113.02470	4.9
119.05035	3.6
121.02961	7.1
121.06600	6.8
123.04545	9.3
123.08167	6.8
125.02444	1.8
125.09689	4.0
127.56955	1.8
133.06599	3.6
134.03685	2.6
135.04538	25.5
137.06049	6.2
137.09714	6.5
143.08643	2.3
145.02930	3.6
147.04558	2.9
147.08124	3.3
149.06120	2.3
149.09711	6.1
151.04036	2.4
151.07738	1.8
161.02467	2.0
161.06084	3.1
161.09692	6.5
162.03261	5.1
163.04051	14.0
163.07620	3.6
171.08153	4.3
171.11719	2.8
172.05251	2.8
173.02394	3.9
175.11311	2.0
177.09200	4.4
185.13237	2.1
187.07640	3.4
187.11191	4.9
189.05438	2.1
189.09227	3.6
189.12863	20.5
190.06340	11.6
191.03496	27.1
191.14407	2.5
192.04257	9.8
197.09789	3.3
199.11319	3.6
199.14896	8.2
201.12862	5.8
203.07295	2.1
203.10674	3.2
205.08704	2.7
205.12430	3.5
209.13396	9.8
211.11240	5.2
212.12071	7.9
213.09154	3.4
213.12851	5.0
215.10739	7.2
215.14421	8.2
217.08780	3.0
217.12253	2.9
225.12851	7.5
227.11072	9.9
227.14439	56.5
228.11528	3.6
228.14818	2.9
229.12268	2.1
233.11757	3.0
243.13887	23.7
245.11781	2.8
245.15494	13.5
246.15894	2.3
253.12231	2.0
256.11053	8.4
271.13409	54.3
272.13776	2.6
274.12070	3.7
289.11053	6.4
289.14459	100.0
290.14856	6.5
312.52658	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	291.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46670	2.7
55.01881	10.8
57.03452	7.9
57.17210	3.2
59.01381	95.7
62.52391	3.2
65.03981	3.8
68.99829	4.8
69.03460	7.0
69.88043	8.3
69.88442	6.0
71.01387	42.3
71.05017	4.4
77.21700	3.3
81.03475	22.7
83.01397	12.6
83.05021	7.8
84.02176	3.8
85.02950	100.0
87.00858	5.4
89.02465	34.7
95.01381	4.5
97.02952	4.8
99.00873	5.0
99.04518	33.9
101.02450	38.4
109.02996	3.3
111.00886	34.2
111.04536	4.0
113.02441	29.0
119.03496	12.9
125.02457	3.7
127.04022	32.7
129.01956	52.8
139.03981	4.2
171.02902	3.6
198.11946	3.6
264.95468	3.0
291.07248	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	291.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19936	1.4
55.01883	7.8
57.03458	9.0
58.00588	3.8
59.01382	82.6
65.03970	2.6
67.01879	2.1
68.99844	1.8
69.03452	5.8
69.28439	12.3
71.01384	50.2
71.05029	4.7
72.99313	4.2
73.02943	8.3
81.03467	18.0
83.01387	10.6
83.05028	4.9
84.02166	2.9
85.02953	100.0
85.92240	1.3
87.00883	6.4
89.01947	2.5
89.02451	31.4
93.03486	1.6
95.01392	5.1
97.02932	3.6
98.21754	2.8
99.00911	6.4
99.04527	24.9
101.02447	31.8
109.02964	2.7
111.00891	28.7
111.04539	2.1
113.02457	27.8
113.03180	2.9
119.03526	11.6
123.04487	1.5
125.02467	4.5
125.25246	1.6
127.04019	22.9
129.01952	42.2
139.04002	4.4
161.04584	4.8
171.02986	2.5
291.07187	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	291.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	7.9
57.03436	5.5
58.00612	3.3
59.01389	100.0
65.03970	2.8
68.14883	2.3
68.68570	2.2
68.99828	3.2
69.03465	5.9
71.01386	47.3
71.05022	4.3
71.66151	2.0
72.99319	4.8
73.02962	5.8
81.03474	21.1
83.01395	10.3
83.05033	8.2
84.02193	4.8
85.02959	97.5
86.03297	2.5
87.00888	7.4
89.02452	28.1
97.02966	5.1
99.00890	4.9
99.04538	32.0
101.02461	32.9
109.52050	2.2
111.00896	50.8
111.04516	2.5
113.02476	22.3
119.03507	11.5
123.04543	3.0
127.04030	30.8
129.01968	47.1
139.04041	5.4
161.04582	3.2
291.07193	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	291.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	7.1
57.03181	1.1
57.03450	6.5
58.00605	3.1
59.01385	89.4
65.03976	2.1
67.01900	2.7
68.99829	2.0
69.03461	5.8
69.57929	1.6
69.58343	3.8
71.01392	43.2
71.05022	4.8
72.04693	1.2
72.99315	3.3
73.02948	6.2
81.03462	18.4
83.01401	11.4
83.05028	6.4
84.02180	3.9
85.02962	100.0
86.03302	1.7
87.00899	6.0
89.02457	30.4
93.03439	1.3
94.02436	1.0
95.01419	4.9
97.02958	8.1
99.00903	5.9
99.04532	31.4
101.02452	32.9
108.02178	1.2
109.02954	2.8
111.00903	40.9
111.04520	2.7
113.02463	23.6
119.03499	10.5
120.60091	1.2
121.02991	2.4
123.04517	2.8
125.02444	1.9
127.04031	28.3
129.01955	49.0
129.05591	2.1
139.04027	3.9
151.04160	1.5
159.02916	1.3
161.04568	4.5
171.03001	2.9
179.05716	1.4
186.33762	1.2
232.66075	1.1
291.07233	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	291.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44730	0.2
57.49652	0.2
59.01387	0.4
60.97504	0.5
61.27474	0.2
66.46616	0.2
66.95332	0.2
67.27580	0.2
70.49774	0.7
74.99083	1.3
93.00140	0.8
121.02984	0.5
128.57675	0.2
134.99393	0.3
143.05386	0.3
149.00978	2.2
152.53030	0.2
161.06401	1.1
192.98109	1.7
206.18915	0.2
206.99675	0.7
208.99310	0.2
209.01276	4.7
210.01186	0.3
210.99280	0.3
217.07249	2.0
225.00768	0.7
235.03029	0.3
242.86989	0.3
253.14464	0.3
275.05963	0.8
289.07605	2.4
290.07745	0.3
291.09125	100.0
291.19571	2.6
292.09222	8.1
292.19940	0.3
297.99515	0.2
309.10220	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	291.1089
Annotation	Itoside L
Peak:m/z	Relative Intensity
51.40376	1.5
52.88471	1.4
55.01864	4.9
57.03442	4.6
58.00592	4.4
59.01381	100.0
67.05524	9.1
68.99826	3.1
69.03446	3.4
69.59625	10.6
71.01384	90.9
71.05047	3.7
72.99304	7.0
73.02950	15.4
81.03465	10.5
83.01386	13.7
83.05029	3.6
84.02169	1.7
85.02953	67.8
87.00879	6.3
88.04044	4.5
89.02445	61.7
94.52811	1.8
95.01408	6.7
97.02962	5.3
98.21764	2.0
98.61086	1.9
99.00893	8.4
99.04534	13.4
101.02447	61.1
111.00886	28.3
111.04526	11.6
113.02451	35.0
119.03512	27.0
125.02466	2.9
127.04003	13.9
129.01941	23.7
129.05609	12.3
131.03532	2.7
143.03484	3.1
147.06604	2.6
159.02979	4.8
161.04588	16.4
176.95573	1.8
179.05583	2.7
189.95958	3.2
212.81081	2.0
244.39157	2.1
247.11874	4.3
249.60370	1.7
291.07245	12.2
291.10852	33.3
292.02637	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	291.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	6.2
57.03444	5.4
58.00596	4.1
59.01386	84.4
60.73710	1.4
61.74505	1.3
69.03477	2.1
69.11391	7.2
69.11818	6.6
71.01389	100.0
72.99313	6.8
73.02953	26.5
78.53156	1.4
80.96502	2.2
81.03467	2.3
83.01401	15.9
85.02956	48.6
87.00892	10.7
89.02457	50.3
95.01393	6.7
97.02950	3.4
98.22488	2.4
99.00901	11.6
99.04542	1.9
101.02454	87.2
102.02782	1.8
110.02478	1.7
111.00887	4.8
113.02460	43.9
119.03515	19.9
119.05009	1.6
120.99668	10.4
121.02953	1.7
125.02450	3.0
125.37370	1.5
127.04005	2.7
129.01947	6.8
129.05496	1.8
129.09209	2.4
143.03520	5.9
154.05098	2.1
155.16689	1.4
159.03040	8.9
161.04573	46.9
205.03517	3.5
243.55394	1.5
247.06879	1.4
247.89127	1.5
291.10217	3.0
291.14465	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	291.1969
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.77490	0.5
52.89063	0.6
59.01365	1.5
67.80629	0.5
70.59807	0.6
75.44352	0.5
85.69489	0.5
98.21762	1.1
99.38873	0.5
106.04270	0.7
125.06091	0.8
137.64630	0.5
141.09172	0.6
148.08922	0.9
150.10536	1.5
151.11247	0.7
163.11276	1.5
165.12857	20.6
166.13203	1.4
176.12053	1.0
177.12939	0.9
189.57346	0.5
191.14445	1.3
193.12369	0.6
198.21045	0.6
215.69307	0.5
228.73854	0.7
247.20680	12.0
248.21136	1.1
273.18616	6.5
274.10577	0.6
291.19684	100.0
292.20010	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	291.197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.5
58.66469	0.4
59.01387	3.2
67.11633	0.4
69.03447	0.5
69.51795	0.4
71.05029	23.8
72.29106	0.5
78.08332	0.5
83.05024	0.9
93.03541	0.5
95.05013	0.6
97.06587	7.3
98.21817	1.6
111.08175	4.8
121.10239	1.0
123.08154	0.7
133.06621	0.7
137.09703	0.6
163.14964	0.5
167.10806	0.8
167.75385	0.5
177.12851	0.8
181.12395	1.8
195.13940	3.5
207.13876	2.5
212.58723	0.5
219.13950	3.2
228.73724	0.8
235.16992	2.9
247.20689	2.8
273.18625	2.2
291.19687	100.0
292.20020	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	291.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.8
59.01389	2.8
70.33248	1.4
71.05013	2.0
83.05023	1.2
89.93097	0.5
93.03487	0.5
93.87946	0.4
95.05032	1.4
97.06578	1.2
99.33620	0.4
109.06590	0.7
111.08170	14.2
113.09695	0.7
118.68753	0.4
119.05006	0.5
134.41972	0.4
135.11829	0.5
137.09717	1.0
149.09709	0.8
167.10800	3.1
177.12827	1.7
179.10815	2.5
179.49403	0.5
195.13901	9.9
196.14148	0.4
203.14450	0.8
219.13960	0.8
247.20750	3.1
273.18610	1.8
289.65884	0.5
291.19675	100.0
292.20035	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71633	0.6
52.18257	0.7
55.01860	1.0
57.47486	0.8
58.00584	1.5
59.01381	42.9
71.01384	17.7
72.99306	1.5
73.02956	1.1
83.01397	1.5
85.02955	4.6
85.06589	15.8
86.06953	0.7
87.00857	0.9
89.02447	20.3
95.01396	1.4
99.00809	0.7
101.02442	15.7
113.02457	9.4
113.06078	5.3
115.07645	1.9
119.03493	8.4
127.07659	1.5
131.07146	64.5
132.07460	2.1
143.03477	0.9
149.04532	0.9
153.86282	0.7
167.52559	0.7
173.08151	1.9
179.05640	1.0
200.85927	0.6
293.12433	100.0
294.12823	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
61.71107	0.2
69.81730	0.8
71.01389	7.7
80.03899	0.2
83.97066	0.2
87.85957	0.2
116.04836	0.3
127.07634	0.9
127.37380	0.2
134.30876	0.2
148.05307	1.1
151.07623	0.6
164.08388	1.0
174.24529	0.2
177.09219	5.5
190.10042	0.3
192.11569	8.0
193.12119	0.3
205.12337	8.1
206.12683	0.7
207.13913	1.6
217.08693	0.6
218.09511	2.0
220.14696	48.5
221.15466	100.0
222.15833	6.3
235.13414	1.2
236.10551	70.0
237.10938	4.6
290.21857	0.3
293.17648	6.1
293.21179	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
65.63910	1.6
69.40265	1.6
71.98953	1.3
79.95741	3.3
93.39280	1.4
96.96016	100.0
98.22511	4.7
101.79051	1.3
107.09538	1.2
122.23188	1.5
135.05345	1.6
136.11217	1.2
187.04622	1.4
293.17957	56.6
294.18256	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	293.2124
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
59.01378	1.4
67.68387	0.9
70.92802	2.1
71.01379	1.3
76.31525	1.0
78.57970	0.8
109.06580	2.3
112.47437	0.8
115.43044	0.8
121.10249	12.7
125.09758	1.3
127.07663	1.6
145.00490	0.8
171.10291	20.9
183.10304	2.9
183.13911	31.2
185.11861	1.3
197.11687	0.8
211.13397	9.5
212.14209	0.9
219.93549	0.9
231.21169	1.7
234.50674	1.0
235.17087	5.6
267.00940	1.1
275.20181	43.4
276.20483	2.9
293.21255	100.0
294.21594	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06947	1.3
59.01380	3.0
59.48487	1.5
61.98806	1.6
71.01367	1.9
103.00342	1.5
136.08925	3.4
143.30826	1.5
151.11336	1.6
169.07625	1.5
169.12294	2.7
181.31352	1.4
192.11452	1.9
193.16005	7.3
197.11844	37.2
220.14757	4.6
221.15517	10.0
227.22382	1.5
231.20988	2.1
231.45375	1.5
236.10550	8.7
237.11000	1.4
249.18645	2.5
275.20190	15.6
276.20630	1.8
293.17868	5.4
293.21222	100.0
294.21527	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	293.2125
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
57.03468	0.4
59.01358	1.1
70.92275	0.6
111.08168	0.7
113.09719	0.7
167.10698	0.5
179.14412	1.0
191.65218	0.4
195.13902	16.5
196.14517	1.9
205.12215	1.2
211.13426	1.0
223.13402	12.2
224.13861	1.0
228.13704	2.4
231.21164	0.9
235.92017	0.4
235.94339	0.4
239.12772	0.5
249.18559	0.4
256.13159	5.2
261.64575	0.4
265.21732	0.7
275.20193	11.0
276.20496	0.9
293.21231	100.0
294.21567	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	5.2
57.45854	0.6
59.01369	1.7
60.68745	0.6
61.86405	0.6
64.84540	0.5
79.67765	0.6
83.05041	0.6
85.87945	0.6
97.06595	1.5
102.05793	0.5
113.09741	20.0
120.63844	0.7
135.11922	0.7
139.11299	2.5
149.09718	0.8
166.24997	0.6
167.10768	1.8
173.28574	0.6
177.12895	0.7
179.10773	2.9
179.14310	0.6
195.13922	3.7
221.15599	0.6
229.78525	0.7
249.22256	1.8
275.20065	0.7
293.21255	100.0
294.21609	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	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.0
59.00690	0.4
59.01364	0.7
59.06015	0.4
61.98796	0.5
70.86649	0.8
70.86985	1.0
71.01385	1.0
80.97612	0.4
83.63294	0.4
96.96037	0.6
97.06570	0.8
103.87616	0.4
113.09670	0.4
123.08168	0.9
125.09730	4.3
141.12845	1.6
145.76837	0.4
149.09715	1.7
183.13922	2.0
185.11829	9.5
186.12137	0.7
192.11537	0.6
195.13835	1.3
197.11824	2.6
220.14645	1.6
221.15430	3.7
223.13441	0.9
236.10529	2.9
242.36024	0.4
249.18784	0.5
249.22223	1.3
275.20157	1.6
293.21249	100.0
294.21582	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	294.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28469	1.0
54.92595	0.9
57.03460	1.0
59.01387	2.0
60.45279	1.3
69.03477	7.0
70.03790	1.0
71.01397	2.1
71.28426	1.9
72.00917	9.3
72.04557	2.0
72.99306	1.8
78.95914	3.0
80.96522	2.2
82.02993	50.4
82.21471	1.0
84.04558	1.8
84.53220	1.1
85.02959	30.1
87.00853	1.3
98.02471	1.9
99.04530	5.2
100.02663	1.1
100.04063	20.6
101.02455	21.9
101.03107	1.5
111.00863	1.2
111.04548	1.1
113.02470	3.8
114.20220	1.0
118.06660	4.1
120.96758	1.0
123.08154	1.1
128.03554	3.0
129.01956	100.0
130.02275	2.3
138.06909	5.5
139.07582	1.1
143.03491	1.7
145.06636	1.0
147.04523	31.2
148.04907	1.2
151.07683	2.8
152.08452	6.6
153.09229	19.0
159.08199	1.3
161.06129	1.3
164.07179	94.0
165.07565	2.8
186.09227	1.4
188.10901	1.5
189.09152	2.2
189.12915	2.0
204.10327	1.5
206.84280	1.0
207.13907	1.1
214.08733	1.8
232.09837	3.3
251.12894	2.4
276.05768	1.6
276.08804	34.7
277.09244	2.2
294.09900	15.6
295.08615	2.2
295.11862	5.3
295.14966	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	295.0593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
66.44466	10.5
70.51042	27.7
71.01381	70.0
72.99304	10.1
73.02927	10.3
73.04089	35.3
85.02924	21.7
85.74058	8.8
87.00891	12.9
89.02464	43.0
95.01379	10.5
96.95975	12.1
101.02443	41.1
113.02458	20.2
113.03623	12.1
115.00397	39.0
115.04035	16.6
119.03530	22.5
119.05019	34.1
128.60051	9.1
129.01924	33.0
131.04604	18.8
145.01424	84.5
161.04674	11.3
180.06703	11.9
191.03554	11.9
193.09863	11.1
210.55826	11.7
224.51190	12.0
295.09778	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	295.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.7
56.30354	1.2
57.03454	1.6
58.00580	3.0
59.01382	100.0
69.37902	4.7
69.38331	4.5
71.01385	48.4
71.05018	1.8
71.12438	1.1
72.64373	1.2
72.99288	5.4
73.02933	1.9
77.52309	1.3
83.01376	2.4
84.81030	1.1
85.02957	14.1
85.81956	1.1
87.00862	2.5
88.31778	1.1
89.02451	58.3
95.01383	2.4
97.02902	3.0
98.22529	2.3
101.02448	30.7
113.02466	20.8
115.03194	1.8
115.04028	30.2
119.03516	26.5
131.03523	3.1
133.05064	2.5
143.03448	2.9
149.04518	2.1
161.04573	3.0
165.06982	1.4
179.05589	2.8
295.10349	81.0
296.10815	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	295.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10388	0.2
55.01871	1.5
57.03437	1.4
58.00600	4.1
59.01384	100.0
60.01727	1.2
61.01797	0.4
68.99838	0.4
69.03453	0.8
71.01387	51.9
71.05030	2.1
71.22055	0.2
71.27338	0.4
72.01741	1.0
72.99315	4.0
73.02960	1.7
75.00871	1.1
77.10632	0.3
81.03471	0.5
83.01400	2.6
84.02180	0.3
85.02959	13.1
87.00874	2.5
89.02453	63.7
90.02779	0.8
91.02881	0.3
95.01402	3.7
97.02955	5.3
97.65543	0.2
98.03284	0.2
99.00891	1.0
99.04544	0.3
101.02452	33.2
101.53009	0.3
102.02801	0.8
103.04134	0.3
113.02463	22.4
114.02802	0.6
115.04023	52.8
116.04368	0.9
119.03514	30.2
119.32219	0.3
120.03881	0.5
125.02418	0.5
126.98930	0.2
131.03499	2.8
133.05083	1.7
136.77292	0.2
143.03526	3.1
149.04590	2.0
161.04567	3.9
162.01646	0.3
166.75296	0.2
179.05603	6.0
227.74051	0.2
235.08234	0.4
237.06149	0.4
295.10361	56.7
296.10709	2.7
319.00092	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1191
Annotation	Isotanciloide
Peak:m/z	Relative Intensity
57.03450	1.7
58.00605	3.5
59.01385	7.4
64.97173	0.5
69.38122	1.1
69.38525	3.1
71.57181	0.5
72.99301	1.3
73.02962	0.6
80.96529	3.3
83.05050	1.3
85.02945	1.1
90.86250	0.5
93.03498	0.7
95.05066	2.6
96.96030	0.9
97.02988	0.6
101.06091	2.1
107.05043	1.6
109.03015	0.8
111.04538	2.3
113.06122	3.9
115.04051	0.8
119.05052	4.4
121.02962	5.1
121.06617	3.4
123.08160	0.9
129.05579	0.9
133.06642	1.2
135.04500	0.5
137.06108	0.8
139.07635	0.7
145.02968	1.0
147.04550	1.6
147.08209	1.1
149.02451	2.9
149.06105	5.4
149.09715	1.6
151.04039	3.3
159.04539	1.1
161.06104	4.2
161.09569	0.5
162.21106	0.5
163.04015	7.5
165.05595	4.8
165.09184	1.1
169.12355	0.9
171.04555	0.7
171.08162	1.9
171.11807	1.5
172.05254	2.9
173.09729	1.2
174.03226	1.3
175.04004	4.3
175.11292	1.8
177.09221	2.6
182.07463	0.7
187.03986	1.7
187.11317	0.9
189.01967	4.3
189.05682	1.4
189.09225	1.0
189.12878	11.3
190.13225	0.8
191.03519	3.3
191.10857	2.0
193.05090	17.8
194.05592	0.6
197.09737	4.0
200.08470	1.1
201.09239	2.1
203.07137	0.8
205.05043	1.3
207.13896	1.5
215.03448	0.8
215.10777	2.0
218.02306	6.0
219.10307	2.1
221.08231	3.3
232.03467	0.7
233.04553	2.9
233.11865	29.2
234.12180	1.2
235.09824	1.8
251.05675	1.3
251.12917	26.9
252.13338	0.8
277.10858	2.2
295.11905	100.0
296.12241	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	295.1342
Annotation	Acerogenin C
Peak:m/z	Relative Intensity
59.01361	1.6
69.68822	4.8
69.69233	2.2
87.84819	1.4
103.87043	1.4
204.98750	1.3
209.15497	2.3
211.07677	4.5
239.07184	11.5
251.07027	1.9
251.11014	1.7
260.08389	1.7
261.09229	24.3
262.09735	3.5
263.10773	77.3
264.11142	4.0
277.21780	4.9
279.10263	14.3
280.11072	92.7
281.11432	5.5
295.13412	100.0
295.22672	8.3
296.13654	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01693	1.1
71.01392	2.6
71.06218	1.7
72.70303	1.1
83.05066	1.2
101.02473	1.8
107.05027	1.4
119.05027	1.6
133.06573	1.6
133.07686	1.5
134.02513	2.8
151.04059	2.3
161.04695	2.4
161.06081	3.3
163.03883	1.8
163.07681	1.5
166.31284	1.2
175.03992	2.7
191.07144	2.1
192.23547	1.4
195.79338	1.3
198.20680	1.4
233.11861	2.3
235.11917	3.2
251.12834	2.1
263.71210	1.2
291.14035	1.4
295.08575	2.5
295.11847	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	295.228
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
51.37731	1.6
71.30299	1.8
100.97844	1.5
120.78242	1.6
154.47810	1.6
172.60777	1.9
196.21513	1.4
295.22818	100.0
296.23193	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.228
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
57.03442	2.8
69.04298	7.0
91.40081	0.7
126.71006	0.6
137.09761	1.3
139.07726	1.2
139.11304	1.8
155.14444	8.5
157.88747	0.7
171.10251	2.7
195.13893	1.4
251.23764	2.6
277.21689	5.1
295.22794	100.0
296.23175	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	295.2282
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
50.85716	0.7
57.03442	1.3
69.57072	0.6
70.62953	1.9
94.41988	0.6
101.33657	0.6
125.09702	3.0
137.09686	0.8
141.12854	0.8
143.52576	0.7
151.11244	1.8
155.14461	1.5
251.23822	2.5
277.21640	0.7
284.84222	0.6
295.22815	100.0
296.23114	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	295.228
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03453	0.9
58.05948	0.3
59.01387	2.1
61.10605	0.3
69.04821	0.8
69.05223	2.2
71.01392	0.4
83.05029	0.4
97.06588	0.4
99.08141	0.3
107.19653	0.3
113.09734	3.2
128.23631	0.3
139.75528	0.3
143.32748	0.3
171.10333	0.4
177.12862	0.6
179.14439	1.0
181.12358	0.4
186.11885	0.3
195.13924	19.4
196.14246	1.0
251.23749	0.3
259.20709	0.3
277.21759	17.9
278.22104	1.3
278.91425	0.3
295.22806	100.0
296.23169	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	296.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.0
56.32292	0.7
57.03448	1.1
58.00599	1.6
59.01382	29.9
62.55574	0.7
69.06951	7.2
71.01385	16.0
72.99331	1.0
73.02937	2.7
75.00869	1.7
79.00672	0.7
83.01392	1.5
85.02956	6.4
89.02451	16.6
92.05066	3.7
95.87363	0.8
96.35886	0.6
96.96024	1.1
101.02454	7.5
113.02442	1.5
116.05076	5.2
119.03487	0.8
128.05064	1.6
130.06636	2.4
131.03688	1.1
132.04538	1.1
132.08221	2.6
134.04771	1.1
134.06081	0.9
136.04094	0.8
138.01958	1.1
144.04559	100.0
145.04895	4.0
146.06139	3.9
149.02422	0.8
157.05328	1.4
158.06126	32.1
159.06438	1.0
170.06090	3.4
172.04108	3.3
172.07690	14.7
174.05611	16.5
176.07172	8.7
182.06116	2.3
183.81187	0.8
186.05623	5.0
188.07213	5.8
189.04308	2.0
198.05621	1.2
200.07172	18.9
201.07430	1.0
204.06604	2.5
206.08278	1.3
208.99150	3.8
212.07231	1.6
216.06656	1.4
230.08281	3.8
292.29306	0.7
296.11411	68.4
297.11578	4.1
297.73660	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
56.28379	1.1
57.03456	1.5
58.00589	4.5
59.01385	100.0
62.08461	0.9
71.01387	62.8
71.04353	1.8
72.01707	1.9
72.99298	4.1
73.02943	4.5
76.46460	1.2
80.88892	1.0
81.03448	1.2
83.01400	3.4
85.02957	15.4
87.00894	3.2
89.02454	79.6
89.39336	1.0
90.02797	1.5
95.01381	3.2
99.04550	1.5
101.02454	35.0
113.02463	27.1
119.03520	36.1
131.03487	3.6
135.06644	19.2
143.03497	6.3
148.92133	1.1
149.04555	2.0
156.47090	1.1
161.04582	12.9
179.05627	22.6
246.76694	1.0
262.80322	1.0
297.11926	36.4
298.12320	1.8
309.73340	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10270	1.1
55.01871	1.8
57.03445	3.0
58.00591	4.3
59.01382	100.0
69.51308	1.1
69.67474	2.0
69.67885	4.4
71.01389	63.1
72.99303	4.0
73.02954	6.6
75.00877	1.9
83.01393	4.0
85.02956	15.0
87.00867	2.8
89.02452	85.5
95.01384	4.2
99.00890	1.6
101.02448	38.0
103.04014	1.9
108.39059	1.2
113.02461	25.7
119.03508	32.6
125.87376	6.9
126.39286	1.3
131.03510	2.9
135.06650	13.9
143.03508	7.5
149.04558	2.6
157.86406	6.6
159.03014	1.7
161.04594	14.1
172.29236	1.2
179.05617	19.0
192.17567	1.2
290.64487	1.3
297.08304	3.7
297.11884	33.1
298.12122	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76087	0.8
55.01862	1.7
57.03441	2.3
58.00592	3.4
59.01381	100.0
60.01698	1.2
62.39576	0.9
69.22796	3.8
69.23213	4.1
71.01384	57.4
72.99296	5.2
73.02971	5.8
73.03313	1.0
75.00875	3.0
83.01397	2.8
85.02950	16.3
87.00875	3.4
89.02448	79.1
95.01391	5.5
96.96008	1.2
99.00883	2.1
100.73167	0.9
101.02449	38.0
113.02454	22.2
113.03106	0.6
115.04000	0.9
115.67052	1.0
119.03511	31.3
125.87342	3.6
131.03529	2.5
135.04575	1.1
135.06650	19.4
136.06891	1.0
143.03474	4.8
145.42850	1.0
149.04561	2.9
149.82137	0.9
154.62190	1.1
155.82880	0.9
157.86314	4.4
159.02972	1.2
161.04579	10.7
179.05605	19.4
210.40024	0.9
213.75024	0.8
221.42271	1.0
270.69934	0.9
279.50684	1.0
297.08267	5.2
297.11890	34.1
298.12256	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56742	0.5
57.24559	0.5
59.01406	0.7
62.64632	0.6
78.03508	3.2
80.05067	100.0
81.05395	1.4
84.58338	0.6
94.02988	1.9
96.04562	42.2
99.92600	1.5
102.31636	0.6
109.62521	0.6
110.06129	70.9
111.06477	2.7
112.26234	0.6
113.14227	0.6
116.05074	24.5
116.92885	1.3
117.05434	0.7
122.02497	1.3
140.19402	0.5
142.06635	22.2
143.07001	1.0
152.33777	0.6
167.57280	0.6
168.06679	31.5
169.07060	1.1
178.05267	0.6
186.05621	1.7
205.07776	0.8
212.05690	0.8
221.10892	7.9
228.65189	0.6
253.13492	5.6
261.42792	0.6
289.28751	0.6
297.12457	26.0
298.12793	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	297.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.5
59.01386	27.1
69.03440	3.0
71.01387	2.8
71.29954	1.5
81.03477	4.7
83.05026	8.6
89.02483	5.2
89.48378	0.9
91.04023	8.1
91.26965	0.8
93.03506	1.0
95.05069	0.9
97.06628	1.4
105.07084	1.0
106.04263	2.2
107.05047	1.8
107.08694	2.7
135.11821	9.3
138.03258	2.2
159.08173	5.8
161.09743	35.2
162.10066	2.1
179.10794	100.0
180.11101	3.4
191.14380	1.0
193.12334	1.0
200.00876	1.3
205.08727	6.3
209.11746	1.9
223.09740	1.4
237.11252	1.4
255.12434	1.8
275.45444	1.0
297.07974	1.2
297.13437	8.6
297.17084	2.2
297.90286	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.5
59.01386	27.1
69.03440	3.0
71.01387	2.8
71.29954	1.5
81.03477	4.7
83.05026	8.6
89.02483	5.2
89.48378	0.9
91.04023	8.1
91.26965	0.8
93.03506	1.0
95.05069	0.9
97.06628	1.4
105.07084	1.0
106.04263	2.2
107.05047	1.8
107.08694	2.7
135.11821	9.3
138.03258	2.2
159.08173	5.8
161.09743	35.2
162.10066	2.1
179.10794	100.0
180.11101	3.4
191.14380	1.0
193.12334	1.0
200.00876	1.3
205.08727	6.3
209.11746	1.9
223.09740	1.4
237.11252	1.4
255.12434	1.8
275.45444	1.0
297.07974	1.2
297.13437	8.6
297.17084	2.2
297.90286	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46687	1.2
87.02110	1.1
114.85651	1.2
127.11322	2.8
162.85815	1.5
171.10275	10.7
183.01161	5.8
201.00728	1.3
220.65450	1.3
279.23376	12.4
280.23676	1.9
297.15271	10.8
297.24374	100.0
298.24622	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	297.2437
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
51.72192	0.3
53.80807	0.3
56.25710	0.3
59.01369	0.9
71.01379	0.4
109.65443	0.3
139.00168	0.3
141.12863	1.3
142.71793	0.4
147.88258	0.4
155.10805	13.0
155.14449	0.4
156.11150	0.4
171.10287	0.8
181.21829	0.3
183.01241	1.4
251.23946	0.6
279.23318	11.7
279.26331	0.8
280.23697	1.0
295.22797	0.7
297.15421	2.9
297.24365	100.0
298.24710	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2438
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
69.70963	4.8
72.18919	1.0
125.09756	1.5
141.12831	1.4
171.10251	1.2
183.01180	1.8
198.54216	0.9
253.25243	2.0
269.24704	1.0
279.23264	3.0
279.53012	0.9
297.04688	2.4
297.15344	3.6
297.24359	100.0
298.24734	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	297.2437
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
54.93553	0.5
59.01385	0.6
69.06188	3.4
69.06605	1.4
87.85925	0.5
108.43615	0.5
111.36078	0.5
128.28587	0.5
183.01212	6.8
184.01974	1.2
216.01103	1.3
251.23723	1.0
279.23218	1.1
295.22833	1.1
297.15344	16.7
297.24359	100.0
298.15689	1.4
298.24713	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0775
Annotation	p-hydroxybenzoyl glucose
Peak:m/z	Relative Intensity
55.01876	1.1
58.00591	4.1
59.01385	91.8
64.58911	1.2
64.84142	1.2
69.58961	8.1
71.01389	41.5
72.99312	2.6
83.01379	1.8
85.02954	9.0
89.02457	46.7
90.02801	1.4
93.03470	32.3
95.01373	4.7
101.02452	20.9
102.84386	1.2
107.05060	2.1
113.02469	17.7
119.03528	16.3
121.02979	2.9
123.22636	1.1
131.03601	1.5
135.04498	1.9
136.01666	8.1
137.02461	100.0
138.02820	3.1
149.02519	2.4
149.04706	1.2
151.04065	8.6
179.03513	48.9
180.03831	1.6
199.11926	1.2
209.04616	6.7
235.79634	1.4
239.05637	21.8
240.05981	1.4
258.84262	1.4
285.10281	1.4
299.07761	79.1
300.08099	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	299.0775
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
51.82896	0.8
56.99570	0.8
59.01394	4.1
69.61295	5.6
71.01389	2.0
75.25056	0.8
85.02924	0.9
89.02438	1.4
93.03468	90.7
94.03819	2.9
99.75308	0.8
113.02421	1.2
132.59486	0.9
137.02460	100.0
138.02788	3.2
179.03435	1.1
217.00313	1.4
267.99020	0.9
299.07623	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	299.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	9.2
68.85250	4.2
69.66881	21.9
90.82405	3.2
93.03464	100.0
94.03854	6.2
137.02460	94.3
195.84300	3.6
217.00407	5.7
241.19406	3.7
247.30075	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	299.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71085	0.6
58.81525	0.6
59.01379	4.9
69.10289	1.9
69.10709	3.6
76.42866	0.5
81.03465	1.2
83.05027	1.3
89.02478	1.4
91.04027	1.5
96.96788	0.6
97.02954	10.3
99.00858	0.6
109.06592	11.5
110.03746	2.9
121.06544	0.8
123.04556	0.7
125.09734	1.0
135.08159	2.2
136.05310	2.5
142.02715	2.6
148.38576	0.7
153.33038	0.5
161.09702	1.7
163.11301	15.7
163.12694	0.8
174.03241	4.1
179.10753	1.2
181.12367	6.0
183.01131	0.9
189.09322	3.0
202.02753	7.2
207.10269	100.0
208.10634	4.9
217.00160	0.6
225.11327	54.1
226.11700	3.9
299.09442	2.1
299.15009	65.5
300.15335	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	299.1503
Annotation	Strobilol C
Peak:m/z	Relative Intensity
50.48009	0.9
59.01386	5.3
61.70586	0.8
65.64503	1.0
65.80194	0.8
70.44507	1.9
71.01371	0.8
81.03458	1.3
83.05006	1.2
88.59335	0.8
89.02444	0.9
91.03991	1.8
97.02966	9.1
109.06605	9.9
110.03742	3.5
135.08186	2.6
136.05319	2.2
142.02707	3.4
142.94615	0.8
161.09814	1.2
163.11310	15.6
164.11623	1.1
177.91200	0.8
179.10672	1.3
181.12404	4.9
186.90369	1.0
189.09254	1.8
202.02574	0.9
207.10280	100.0
208.10583	3.8
225.11351	48.9
226.11652	3.3
299.15027	64.9
300.15408	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	299.2019
Annotation	Retinoic acid
Peak:m/z	Relative Intensity
51.75500	0.8
55.89040	0.6
59.01370	2.1
64.41133	0.6
64.79618	0.7
67.48801	0.6
71.01368	0.8
71.29547	1.0
72.46847	0.6
83.05007	0.6
97.02998	0.8
107.09454	0.6
174.69368	0.7
179.60242	0.7
183.08121	0.9
185.00784	1.6
199.07649	1.6
210.06680	0.7
215.10776	1.4
217.00359	2.4
227.07249	4.1
227.10780	10.3
228.11288	0.7
237.22249	0.9
245.15451	0.8
269.15576	0.8
271.09772	2.4
283.17029	1.6
299.20166	100.0
299.25882	11.9
300.13654	2.4
300.20493	9.7
300.26282	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	299.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46526	0.8
55.27887	0.7
59.01369	1.3
59.51139	0.8
60.30796	0.8
60.89217	0.8
61.34901	0.9
61.78016	0.8
64.03100	0.8
69.06550	0.8
70.01212	0.9
70.51702	0.9
71.30975	1.4
94.86243	0.8
114.21412	0.8
130.12660	0.8
166.71852	0.9
217.00227	1.1
225.52325	0.9
299.20197	100.0
299.25903	5.7
300.20584	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	299.2594
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
53.84580	0.2
58.05243	0.2
59.01376	0.2
68.38058	0.2
69.02129	0.6
69.02546	1.5
133.75497	0.2
142.83612	0.2
145.31024	0.2
165.88477	0.2
217.00410	0.3
251.23856	0.4
253.25369	4.5
254.25845	0.3
281.24750	1.3
297.24323	0.8
299.25931	100.0
300.26291	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	299.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60136	1.0
59.01363	1.5
74.85986	0.9
98.21764	1.5
113.09774	1.3
156.40576	0.8
164.23849	1.1
164.35104	1.0
167.14388	1.3
200.57732	1.0
253.25375	1.4
281.24799	3.2
299.25937	100.0
300.26318	7.1
319.61194	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2591
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
62.59845	3.3
65.09259	2.9
66.88430	2.6
68.85921	2.4
70.76215	7.5
113.39188	2.7
223.44995	2.9
251.23730	6.4
253.25388	98.7
254.25858	6.1
299.22525	6.6
299.25931	100.0
300.26102	5.1
300.58264	3.5
310.85889	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	299.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.7
81.27955	1.2
96.04147	1.0
124.41537	1.2
141.59436	1.2
155.74007	1.5
174.99194	1.1
195.04501	1.1
205.13556	1.2
217.00346	2.0
228.76918	1.7
239.23518	1.5
299.25940	100.0
300.26257	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	300.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.3
59.22214	0.3
68.01414	2.9
68.87926	0.3
71.01389	0.7
77.61503	0.2
89.02459	0.3
96.04568	0.8
98.21812	0.7
110.06123	0.5
118.90208	0.3
122.02482	1.0
123.03271	5.7
124.07693	1.2
136.07710	0.6
137.04846	1.2
138.05618	100.0
139.05962	2.8
150.05611	0.3
152.07187	1.8
160.54443	0.3
166.08701	0.8
167.05876	2.2
168.06639	0.7
178.29031	0.3
180.03300	0.3
180.06670	5.9
181.07004	0.3
210.07724	0.7
240.08815	0.3
300.10880	13.1
300.14297	0.6
301.11188	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66455	0.2
53.60351	0.2
59.01396	1.0
62.06238	0.2
62.44063	0.2
68.01395	0.4
69.62305	1.0
71.01376	0.4
77.31815	0.2
94.03814	0.3
95.05045	0.3
98.22462	0.3
101.02413	0.3
122.02510	0.4
122.06074	0.3
123.03278	10.8
124.03603	0.4
136.04060	0.3
137.02422	0.6
137.04823	0.8
138.05623	100.0
139.05975	2.4
144.79155	0.2
152.07204	0.5
165.04317	0.5
166.27815	0.2
167.05896	0.6
179.92059	0.2
180.06679	2.1
247.26411	0.2
257.64468	0.2
300.10956	4.2
301.11246	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0354
Annotation	Quercetin
Peak:m/z	Relative Intensity
50.79615	1.4
57.03448	2.9
59.01377	3.2
63.02413	9.9
65.00332	20.7
69.11729	12.4
83.01394	18.5
93.03470	47.0
94.03812	1.6
95.01395	6.8
98.21761	3.3
101.39739	1.7
107.01401	35.9
109.03001	2.7
109.36700	2.0
111.97477	1.5
117.03476	9.3
119.05059	2.6
121.03049	2.0
123.00889	2.8
124.01662	9.6
125.02474	16.2
132.15208	1.7
135.00897	4.6
135.04543	7.6
137.02467	6.3
143.05016	3.1
145.02960	4.5
147.04529	1.8
151.00386	94.2
152.01176	30.5
153.01935	6.6
159.04532	5.9
161.02478	11.4
161.06090	3.8
163.00394	18.2
163.03967	1.9
164.01151	2.7
169.01492	3.8
169.03174	1.6
177.05594	1.7
178.99864	24.8
181.01305	1.9
185.06070	2.5
187.04036	5.6
191.03523	2.9
197.60587	1.7
201.05557	9.7
206.99379	28.5
208.00131	20.5
213.05676	3.5
215.03461	7.9
227.12892	6.0
229.05048	8.0
241.10764	2.1
241.14471	2.6
245.04564	82.4
246.04994	2.9
252.35452	1.8
255.02611	1.8
257.04626	14.4
258.64056	1.7
269.05679	2.5
273.04053	100.0
274.04318	7.7
283.02502	6.1
301.00375	3.2
301.03589	25.9
301.07520	2.6
301.08096	2.4
301.12045	1.8
301.16718	3.9
301.19897	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	301.0355
Annotation	6-Hydroxykaempferol
Peak:m/z	Relative Intensity
50.83432	1.4
57.03445	2.7
58.86908	1.8
59.01374	5.5
60.57714	1.6
63.02402	10.8
65.00022	2.9
65.00332	28.3
71.28977	2.5
75.60036	1.7
83.01391	23.3
93.03470	53.4
94.03774	2.2
95.01398	5.7
107.01402	32.5
108.02264	2.3
108.99312	2.6
109.02979	3.4
117.03484	10.4
118.98062	2.0
119.01388	1.8
124.01672	7.3
125.02472	14.4
135.00929	4.2
135.04581	9.3
137.02458	10.2
141.03488	2.2
143.05023	2.3
145.02995	4.4
151.00381	90.8
152.01172	30.1
153.01929	7.0
159.04565	8.7
161.02458	11.9
161.06081	2.5
161.45706	1.7
163.00406	17.8
177.05496	2.0
178.37914	1.7
178.99876	33.2
185.06058	2.6
187.04048	4.4
189.01938	1.7
189.05528	3.0
191.03487	2.7
199.13542	2.9
201.05551	8.8
206.99362	29.0
208.00110	16.9
215.03572	7.9
227.12935	8.7
229.05078	9.2
245.04562	78.0
246.04935	6.0
255.02998	3.1
257.04602	10.5
273.04059	100.0
274.04401	5.8
283.02551	4.1
301.03500	15.8
301.11084	2.6
301.16928	2.3
321.60120	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	301.0354
Annotation	6-Hydroxykaempferol
Peak:m/z	Relative Intensity
52.46987	1.2
56.63513	1.1
57.03458	2.6
59.01378	4.2
63.02395	8.6
65.00329	30.8
67.01888	1.4
69.84151	5.7
71.01371	1.6
81.52528	1.6
83.01392	17.8
93.03465	50.8
94.67085	1.2
95.01382	8.3
98.21899	1.8
102.69757	1.2
103.61761	1.2
107.01392	39.6
109.02980	2.4
111.00885	2.7
117.03478	10.7
117.34309	1.4
119.05045	1.8
121.02982	2.6
123.59019	1.4
124.01715	7.9
125.02458	16.3
135.00914	5.3
135.04546	9.4
137.02470	4.3
139.05923	1.5
143.05067	3.1
145.02971	5.2
147.04552	2.6
151.00381	98.7
152.01170	28.4
153.01926	7.6
157.06499	1.7
159.04521	7.9
161.02461	11.0
161.06067	3.0
163.00385	19.2
163.04034	2.2
164.01184	3.0
169.01399	4.4
177.05603	2.3
178.99863	34.1
180.00272	1.9
181.01443	2.4
187.04047	5.2
188.67546	1.3
189.01965	1.6
189.05574	3.3
191.03519	4.7
199.13422	2.6
201.05624	10.0
206.99355	30.6
208.00134	23.9
209.11884	1.7
213.05659	2.6
215.03433	7.6
227.12901	7.6
229.05063	9.4
239.07118	2.3
245.04538	83.3
246.04964	4.3
255.02928	2.5
257.04562	13.7
257.12943	2.0
273.04053	100.0
274.04477	4.6
283.02438	3.1
301.00119	2.2
301.03561	21.1
301.07205	4.9
301.16840	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	301.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
63.89815	0.7
65.00346	1.2
66.82442	0.8
69.11307	0.8
69.55315	3.3
69.55733	1.7
80.02685	22.6
81.00378	0.7
81.03458	6.9
83.01409	1.3
83.05051	1.1
91.05562	1.4
93.03468	2.6
95.01388	0.9
97.02960	3.6
101.05183	0.8
107.01412	2.2
107.05028	6.2
108.04578	1.1
109.06596	60.4
110.06963	1.4
111.08202	0.9
121.02992	2.3
136.07645	1.7
138.06853	4.8
147.04530	2.5
151.00407	6.6
153.05585	100.0
154.05907	3.5
178.99916	2.4
185.06798	0.7
213.12912	1.3
245.04475	1.5
257.12967	3.5
273.04059	2.8
301.03476	6.0
301.14874	0.9
301.20187	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	301.1449
Annotation	3,3'-Dihydroxyhexestrol
Peak:m/z	Relative Intensity
71.01376	5.1
97.06583	2.4
98.22522	6.6
118.83182	2.4
119.79672	2.4
134.00487	2.1
146.03717	2.6
147.04492	3.1
159.04546	8.7
172.05316	10.3
173.06047	5.7
174.03191	13.1
175.04054	6.8
183.12137	2.4
185.06052	5.9
187.03984	15.1
188.04816	4.7
199.07664	3.7
200.04790	8.4
200.08453	14.4
201.05569	14.1
201.09230	22.5
201.88100	2.4
202.09384	2.2
203.07141	3.8
204.07901	4.4
215.07068	4.2
216.08011	13.3
228.07907	4.3
228.69823	2.3
229.05069	5.4
229.08716	40.9
229.12279	25.4
243.10277	5.4
244.10979	8.4
245.11786	3.1
254.09532	2.6
272.10626	16.5
273.14957	10.9
301.14478	100.0
302.14865	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	301.1449
Annotation	3,3'-Dihydroxyhexestrol
Peak:m/z	Relative Intensity
52.95145	0.7
54.28350	0.6
55.01840	0.6
65.15044	0.6
71.01402	7.2
73.48647	0.6
83.04993	0.8
83.46514	0.6
93.38286	0.6
97.02956	6.1
98.22556	1.0
132.09151	0.6
134.06105	0.9
147.60457	0.7
151.00354	0.9
159.04558	2.1
165.76137	0.7
172.05315	11.0
173.06029	4.0
175.04024	0.6
175.07698	1.2
185.06039	3.3
186.06825	1.4
187.03969	1.6
187.07657	3.1
196.05302	0.8
199.04114	1.0
199.07639	1.6
200.04800	48.9
200.08359	3.2
201.05327	3.9
201.09218	6.8
203.07307	0.7
204.07941	1.0
211.07690	2.9
213.05539	3.4
214.06409	1.6
215.07095	1.3
215.10828	1.2
216.07904	4.0
217.12280	0.7
224.04810	1.0
225.05573	0.8
225.09236	2.3
228.07933	12.1
229.08698	100.0
230.09093	7.2
239.07162	0.8
243.06580	1.3
243.10284	1.6
245.11856	2.0
257.11853	3.3
258.11459	0.9
272.10553	19.4
273.04211	0.8
273.10825	1.2
283.10883	1.3
301.14468	68.2
302.14828	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	301.1449
Annotation	3,3'-Dihydroxyhexestrol
Peak:m/z	Relative Intensity
52.09041	0.8
53.58859	0.7
71.01390	8.1
74.80269	0.8
97.02971	5.8
98.21715	2.0
107.01442	0.9
127.64056	0.9
144.13028	0.9
151.00365	0.9
151.07695	1.1
159.04523	3.3
172.05330	11.1
173.06107	4.2
174.06825	0.9
175.04082	1.0
175.07693	1.0
185.06079	2.7
187.03998	1.3
187.07648	3.3
190.20061	0.9
195.16644	1.0
196.05310	1.0
199.04044	1.6
200.04817	50.8
200.08366	4.6
201.05435	4.1
201.09258	6.9
203.07109	1.4
204.07936	1.1
211.07684	3.4
213.05565	3.0
214.06377	2.2
215.07095	2.2
215.10880	1.1
216.07899	3.9
217.12326	1.2
225.09178	2.9
227.07147	1.2
228.07944	11.9
228.71133	0.9
229.08711	100.0
230.09044	6.6
239.07205	1.1
239.20390	0.8
243.06548	1.2
243.10341	3.5
244.11125	1.3
245.11868	2.4
257.11841	4.1
271.02661	1.2
272.10580	20.0
273.10898	1.5
283.19232	1.4
286.04678	1.0
301.14481	65.1
301.20261	5.3
302.14774	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	301.1664
Annotation	Viridamine
Peak:m/z	Relative Intensity
57.31741	0.2
60.97515	0.6
63.49695	0.3
69.50893	0.4
69.51297	1.1
74.99097	0.6
79.81406	0.2
98.22460	0.5
113.29016	0.2
118.96252	0.5
134.99413	5.5
136.97356	2.5
139.49457	0.3
141.07466	0.4
143.05360	0.8
150.98900	0.5
152.34741	0.2
159.08510	1.6
161.06415	6.4
201.04167	0.5
203.05696	3.3
205.03548	0.9
207.47266	0.2
215.05598	1.2
217.07227	82.2
218.07344	5.4
235.08322	0.6
261.06238	0.9
283.12009	0.8
285.13501	35.1
286.13773	3.3
301.16623	100.0
302.16824	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	301.2175
Annotation	Abietic acid
Peak:m/z	Relative Intensity
70.19620	6.6
123.32105	1.6
205.10431	1.5
205.12386	5.5
228.56628	1.7
300.99750	2.4
301.21744	100.0
302.22055	9.8
322.99240	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	301.2387
Annotation	CHEBI:79288
Peak:m/z	Relative Intensity
50.26559	0.7
51.43345	0.7
57.25981	0.7
61.98843	1.1
84.04580	0.7
85.30031	0.8
99.24511	0.8
144.37337	0.7
151.00410	0.9
175.04050	1.3
204.07939	1.3
223.20872	1.0
225.22246	12.0
244.36560	0.8
245.04573	1.0
253.21773	7.7
255.23343	20.6
256.23801	1.4
301.23868	100.0
302.24207	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	302.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99612	6.5
59.01366	2.9
68.97203	1.1
68.97605	7.0
75.57212	0.7
77.26778	0.7
80.59720	0.7
83.38843	0.6
102.98604	14.5
110.02423	0.7
112.04064	2.6
123.03297	1.1
132.85643	0.8
138.05624	35.9
139.05968	1.5
140.07193	32.5
141.07530	1.4
155.05356	0.9
161.17523	0.7
170.02832	0.9
172.04401	100.0
173.04678	3.5
198.05949	2.3
260.05994	19.2
269.79810	0.7
302.07086	1.6
311.99417	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01260	0.8
58.99600	6.2
59.01375	2.2
61.16895	0.7
69.45166	3.2
69.45579	1.5
102.98599	12.7
109.06615	0.9
112.04041	2.5
114.62227	0.7
119.82825	0.7
121.07472	0.7
131.33862	0.7
136.09404	0.7
138.05626	33.3
140.07199	16.4
143.83342	0.6
172.04398	100.0
173.04745	3.4
174.89798	0.8
198.05963	3.3
260.06009	17.4
302.07028	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	302.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35733	8.0
58.99608	11.2
59.01376	20.5
61.98814	13.3
65.01214	8.1
69.70822	55.5
71.01388	37.9
80.36871	8.7
85.02940	15.5
87.00875	9.4
88.04058	15.5
98.22490	15.6
101.02454	23.2
102.98623	14.8
113.02478	13.8
138.05629	30.7
138.87729	11.5
140.07246	12.1
154.14977	9.7
164.47791	8.1
172.04393	100.0
260.06033	16.2
302.05743	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	302.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49119	11.0
59.01359	14.2
69.72222	67.9
82.39658	10.4
94.86250	10.6
138.05606	28.9
140.07201	26.4
172.04375	100.0
248.98123	12.7
260.05920	12.8
284.62946	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	302.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12824	1.1
55.01884	12.3
56.88729	1.3
57.03444	6.7
58.00601	2.9
58.99607	2.6
59.01387	64.7
61.98832	2.1
68.74500	1.3
69.03448	3.6
70.84411	3.9
71.01392	100.0
72.01717	1.5
72.99313	6.1
73.02956	43.8
75.00877	4.7
80.98855	1.4
83.01398	25.4
85.02962	54.3
86.00119	2.0
87.00892	5.1
88.04041	4.5
89.02451	11.4
94.62751	1.3
95.01408	8.5
96.04549	2.7
97.02993	3.0
97.06640	1.8
99.00897	13.5
101.02456	99.5
102.98636	8.7
110.02485	1.9
111.00890	15.8
113.02460	50.3
117.95263	1.6
129.01976	2.8
133.95825	1.4
137.59302	1.5
138.05615	21.4
140.07231	6.6
141.01959	1.9
143.03531	4.6
159.03049	8.2
161.04578	34.1
172.04391	49.5
173.04755	2.3
174.99306	4.4
179.60121	1.4
183.07741	1.8
185.01328	3.1
198.05974	1.8
199.98764	3.1
209.41982	1.4
213.00793	3.8
218.10478	1.5
229.00285	3.1
260.05975	8.7
260.08408	2.0
271.01428	2.9
302.09259	3.0
302.12488	32.9
303.12781	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	303.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	57.5
61.98847	16.7
69.03462	31.6
69.53878	29.0
69.54295	10.4
71.01388	75.1
73.02990	7.8
76.66799	7.1
80.64237	8.1
83.01405	9.8
85.02963	18.8
89.02453	14.1
97.06606	12.4
101.02464	24.4
103.92044	14.1
113.02470	54.6
118.96605	6.8
120.99697	8.7
123.04570	9.4
132.98209	19.4
140.98708	14.5
142.87668	7.6
143.37314	7.5
145.02930	10.9
146.99760	31.4
172.00764	11.1
172.04353	18.5
173.04694	29.7
174.99263	93.0
182.99751	87.8
183.07732	8.7
183.99323	9.2
185.01332	71.9
187.02916	13.6
189.00847	21.0
199.02887	8.6
210.99182	17.7
213.00845	77.3
227.02382	55.8
229.00362	89.6
243.01703	42.8
247.58168	6.5
261.06290	10.4
271.01361	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	303.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.9
58.00603	4.8
59.01387	100.0
68.99179	3.8
71.01385	80.3
71.27887	5.2
72.99303	8.4
73.02947	8.9
75.00899	4.2
75.25107	3.8
79.05562	6.1
81.07119	5.9
83.05021	5.1
85.02933	19.0
85.06610	9.7
87.92548	4.0
89.02459	66.4
95.01421	7.0
97.02969	4.2
97.06609	15.8
99.00892	5.0
99.22265	5.0
101.02455	33.3
111.04533	4.5
112.27538	4.3
113.02454	33.5
119.03532	33.0
123.04534	36.5
129.05608	31.1
141.05600	15.1
146.93925	5.3
150.74130	4.2
155.10948	4.8
160.03683	3.9
161.04593	9.8
165.92522	3.5
168.79182	4.0
173.04712	5.5
199.00630	10.2
199.94167	4.1
226.91766	4.2
242.99577	23.4
255.15157	4.1
303.11044	48.7
303.14368	9.5
303.90027	10.3
315.98291	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	303.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06538	1.1
57.03460	1.7
59.01386	100.0
69.03452	1.3
71.01418	2.8
71.30297	2.2
73.02964	1.4
79.87982	1.2
89.02448	1.4
96.95981	1.5
96.99596	1.3
99.09166	1.2
99.19141	1.4
114.16068	1.2
125.09734	2.1
137.09682	1.5
139.10217	2.1
139.11310	31.4
145.03004	2.0
153.12856	17.7
155.10800	17.7
155.40054	1.4
159.04520	2.0
163.11310	7.6
171.08495	1.7
181.12361	34.5
182.12683	1.7
183.10278	30.0
185.11884	2.0
187.09770	3.8
199.13411	68.5
200.13846	4.5
201.11348	53.0
202.11720	2.4
215.13023	1.7
220.30939	1.4
225.11353	13.1
235.18486	1.3
243.12386	96.2
244.12715	3.3
261.13437	67.6
262.13907	3.7
289.70529	1.3
291.18875	1.4
303.14575	38.0
303.17908	2.5
304.14926	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	303.2332
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
50.91938	1.2
59.01376	9.5
64.56637	1.3
70.82842	3.3
77.02824	1.3
109.71722	1.5
151.64767	1.2
160.27321	1.2
163.02303	1.3
202.14497	1.2
205.19638	2.6
230.73915	1.3
259.24307	14.1
285.22479	1.9
303.23297	100.0
304.23651	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	304.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	48.8
59.03329	0.6
62.36581	0.3
70.02979	0.4
84.23167	0.4
102.38146	0.3
103.96220	0.3
105.08418	0.3
108.22169	0.4
168.13951	100.0
169.14304	4.3
212.12927	7.7
213.13536	0.4
293.09619	0.3
301.17255	0.3
304.19296	0.9
305.17661	0.7
313.92462	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.8
59.01387	2.4
69.03442	1.4
70.90401	2.9
71.01375	2.3
74.99135	1.3
82.05263	1.4
84.65508	1.2
85.01162	1.6
87.00889	17.0
87.02738	2.1
96.96052	1.3
99.57871	1.2
102.98617	2.7
119.06344	1.3
120.99670	68.9
121.10278	6.2
137.09702	1.6
155.09021	7.6
173.10059	36.4
183.10289	8.6
217.09048	72.2
218.09360	2.8
252.14369	1.1
283.54639	1.3
305.10666	100.0
306.10977	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	305.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28510	1.3
57.03444	2.2
59.01386	16.7
65.55030	1.5
71.01385	14.7
71.05019	1.9
73.02956	8.9
85.02971	5.2
87.00887	21.1
87.05647	3.6
89.02456	8.7
95.05013	2.3
97.04093	3.9
97.06595	9.6
101.02448	9.7
105.95770	1.5
113.02470	7.9
113.03589	3.3
119.03526	3.2
119.16331	1.3
120.99654	3.7
121.10242	15.3
132.68625	1.3
136.07709	5.1
143.42368	1.2
145.06981	1.5
153.09221	13.5
155.09030	3.7
158.05756	1.5
161.04561	3.0
165.09227	30.3
169.08688	8.1
171.10284	15.8
173.10089	3.1
180.06693	1.7
183.10287	13.2
189.05923	2.9
199.08035	7.2
217.09045	94.8
218.09373	5.2
244.10970	4.8
262.12106	2.5
305.10675	100.0
306.11011	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	305.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.1
57.03430	2.1
57.44180	1.5
58.00599	3.5
59.01385	100.0
60.01724	1.4
62.26516	1.7
69.39890	3.1
69.40292	8.9
71.01392	66.9
72.99314	5.5
73.02946	6.8
81.07101	18.3
83.01397	6.0
85.02962	18.6
87.00827	1.8
89.02454	64.3
95.01401	6.5
98.21787	1.6
99.00890	3.2
101.02457	42.6
104.29375	1.4
113.02463	29.2
119.03522	30.9
125.06087	6.3
138.05609	2.1
143.03496	3.1
143.07120	4.1
159.03114	1.7
161.04523	7.3
179.05717	4.2
207.80533	1.6
229.90668	1.4
261.13342	5.2
305.12439	58.8
305.21747	1.6
306.12888	4.2
320.25977	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	305.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.7
57.03444	2.0
58.00584	4.1
59.01382	100.0
60.01709	1.7
69.33693	8.0
71.01383	54.2
72.99300	3.8
73.02917	2.0
81.07101	17.7
83.01391	2.4
83.11765	1.2
83.92171	1.1
85.02961	10.7
87.00876	1.4
89.02448	64.1
90.02770	1.8
95.01375	4.2
101.01814	2.2
101.02445	33.3
112.83038	1.2
113.02467	18.1
119.03506	27.5
125.06081	7.6
128.31766	1.2
131.03520	2.0
143.03413	2.1
143.07191	2.7
149.04546	1.9
161.04550	2.6
179.05614	3.0
187.37695	1.3
296.35785	1.4
305.12411	45.7
315.90189	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	305.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.7
56.99256	1.2
58.00590	4.1
59.01382	100.0
69.20960	11.4
69.21286	2.8
71.01384	55.0
72.99303	2.2
73.02938	4.6
81.07095	15.4
83.01387	3.2
84.02254	1.2
85.02956	12.4
86.99572	1.2
87.00883	1.8
87.04507	1.3
89.02451	67.7
94.88573	1.5
95.01376	4.1
101.02449	35.7
105.83205	1.4
113.02442	20.9
119.03519	26.0
125.06087	7.1
126.91891	1.2
130.02684	1.1
131.03468	1.4
138.05620	5.7
143.03543	1.8
143.07162	2.4
146.93735	1.2
149.04541	1.5
161.04539	3.5
167.58693	1.3
179.05589	2.5
235.72539	1.4
258.48999	1.3
305.12427	49.1
306.13013	2.8
316.05588	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	305.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	8.3
57.03449	10.7
57.44273	0.6
58.00588	2.1
59.01385	45.6
60.01714	0.8
69.03460	1.6
71.01388	100.0
71.05029	5.4
71.28203	1.3
72.99303	3.8
73.02953	30.6
74.02469	1.0
75.00874	1.1
77.86977	0.7
79.95790	1.5
80.96537	2.5
83.01396	14.2
84.02191	0.8
85.02961	45.4
87.00877	5.1
87.04518	0.9
87.27879	0.6
89.02457	16.5
95.01395	6.3
96.96036	5.1
97.02975	2.1
99.00898	15.8
101.02455	68.5
102.02834	0.9
111.00917	2.1
111.45397	0.7
113.02463	36.7
114.02791	1.0
118.49951	0.7
119.03499	5.8
120.99699	1.2
125.02490	2.1
128.03554	2.3
129.01978	2.2
131.03618	1.0
138.05682	1.0
139.00398	0.8
143.03551	3.2
143.04703	2.2
143.07127	1.2
143.10797	10.2
144.11191	1.0
159.03018	8.2
161.04581	23.1
161.05878	1.2
162.04945	0.9
177.60251	0.7
183.10432	0.7
227.12979	0.8
259.49588	0.8
264.86139	0.7
272.08990	0.8
305.07236	6.1
305.12561	1.1
305.16199	10.9
305.19711	2.6
306.07498	0.8
306.16592	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	305.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	8.9
56.61300	1.1
56.97009	1.1
57.03455	8.8
58.00602	2.4
59.01382	54.5
68.80345	1.2
70.32366	4.2
71.01386	100.0
72.01725	1.7
72.99294	4.5
73.02575	2.0
73.02951	30.5
75.00869	3.1
79.95753	1.5
80.96522	1.5
83.01394	13.7
85.02959	51.1
85.06592	3.3
87.00871	5.0
89.01944	2.2
89.02451	20.5
94.25407	1.2
95.01385	5.7
96.96017	19.2
97.02924	2.3
99.00890	14.9
101.02450	66.5
102.02796	1.9
102.98621	1.6
110.37003	1.1
111.00885	2.4
113.02456	42.4
113.96619	1.2
119.03518	6.1
120.99635	1.7
121.19831	1.2
129.01964	2.9
138.05576	2.6
141.09196	3.0
143.03510	2.3
143.10791	17.8
157.07681	2.2
159.03036	8.3
161.04553	27.8
174.40660	1.5
217.09096	6.6
305.07175	3.2
305.10693	19.4
305.15988	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	305.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	5.5
56.14045	1.0
57.03456	4.2
57.74392	0.9
58.00603	3.3
59.01381	100.0
63.87072	0.8
67.25254	1.3
70.56789	2.6
70.57150	0.9
71.01385	83.5
71.05029	9.3
72.99307	5.3
73.02951	15.5
75.00877	1.4
76.80359	1.0
81.03440	0.9
83.01389	9.9
85.02953	33.2
85.85196	0.9
87.00883	4.2
89.02449	61.1
95.01385	6.4
96.96042	1.8
97.02959	0.9
99.00906	6.7
100.33393	0.9
101.02448	66.1
111.00916	0.9
113.02460	36.4
119.03502	24.8
119.63250	1.0
120.99662	9.0
125.02470	1.0
131.03465	1.8
143.03520	2.7
143.10802	1.4
159.02998	6.1
159.04216	0.8
160.06404	1.6
161.04568	13.6
161.07237	1.9
175.08778	1.4
179.05621	1.1
183.10277	2.0
189.06714	2.9
203.11934	1.4
205.14442	2.2
217.08997	4.9
229.09819	2.6
234.97357	0.9
268.41855	1.0
283.01910	0.8
305.07422	1.4
305.10846	7.3
305.16135	9.9
305.19348	1.2
312.82385	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1761
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
59.01370	7.6
69.03454	3.8
69.18873	19.3
71.05022	9.7
79.05529	9.0
80.02670	3.4
80.41850	2.3
81.03453	3.2
83.05018	2.5
93.03471	3.7
95.05042	6.3
97.06585	13.7
105.61739	2.1
106.04256	8.0
107.05015	2.6
107.17937	2.2
109.06603	2.7
117.07117	54.1
120.05803	6.7
123.08178	8.3
125.09752	29.9
126.10075	2.5
126.74693	2.3
135.08176	98.1
136.08498	4.6
151.11292	5.4
163.11290	3.6
185.11845	4.7
189.12863	3.3
205.15968	5.9
209.11829	15.1
231.13927	2.8
235.13281	3.5
243.17542	9.7
249.14954	35.5
250.15237	3.7
261.18762	5.8
263.16489	5.3
277.18185	14.4
284.37292	2.4
287.13333	4.4
287.16556	85.2
288.17032	9.1
301.44452	3.0
305.08191	4.4
305.17609	100.0
305.21082	5.0
306.17966	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	305.1761
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
52.56555	1.5
54.88054	1.7
57.03450	8.0
59.01372	3.0
69.19004	4.4
69.19425	9.8
83.05022	2.3
98.21742	2.1
105.03465	2.0
107.05058	1.8
114.05628	2.3
121.06586	6.4
123.08179	20.6
133.02963	9.9
133.06599	17.5
134.03755	3.9
134.07407	20.0
135.04547	2.8
135.08151	3.9
136.05276	7.1
137.02449	5.6
142.28552	1.4
147.08240	1.8
149.09746	4.6
161.02466	1.6
162.06853	3.1
166.06381	8.7
173.09767	7.4
178.02710	10.6
189.01981	1.6
217.16005	10.5
245.15666	2.1
261.18594	100.0
262.18854	8.2
287.16339	1.6
305.17685	14.8
306.07391	3.9
306.17749	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	305.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.0
59.01388	3.9
59.63644	0.7
69.03444	1.4
69.82561	3.1
71.05028	42.3
73.24148	0.6
80.02706	0.9
81.03462	4.4
82.45127	0.7
83.05005	1.5
85.44750	0.8
90.48409	0.7
93.03467	2.9
95.05038	19.5
97.06602	0.9
102.01577	0.8
106.04237	2.8
107.05054	2.0
109.02998	0.9
109.06607	16.8
109.07331	0.6
111.04528	1.5
119.05016	1.0
121.06615	7.1
122.03771	1.4
123.04580	0.8
123.08156	1.1
125.73528	0.6
127.07643	2.2
133.06647	0.9
135.04449	0.8
135.08171	3.2
139.07654	1.3
147.04524	2.1
147.08180	2.9
147.11742	0.8
149.06061	1.3
149.09708	0.7
150.06874	2.0
151.92883	0.7
153.09239	0.9
159.08089	0.8
161.06055	3.1
161.09744	1.6
164.08459	1.2
165.09212	15.5
173.09688	0.7
175.07715	1.7
179.14426	1.0
189.12878	16.4
193.12395	0.7
203.14426	1.5
205.15993	11.4
215.10721	1.3
216.88423	0.8
231.13893	2.6
233.11842	9.4
243.17572	9.4
244.17966	1.1
245.15698	0.9
249.14978	11.9
261.18597	3.1
263.16580	1.1
269.15427	2.4
287.16550	88.3
288.16879	7.2
289.14465	0.8
305.17606	100.0
306.17935	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	305.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67885	0.6
51.77313	0.7
52.89595	0.7
57.03440	2.6
59.01382	2.2
60.99553	0.6
62.19440	0.7
65.03957	2.8
66.85595	0.7
69.03477	0.9
69.07244	7.0
71.05033	8.3
79.05537	12.4
81.03442	0.8
81.69727	0.8
83.05043	1.9
93.03461	1.7
94.04260	0.6
95.05039	2.2
97.06600	14.3
102.05192	0.6
106.04265	10.2
106.42620	0.7
107.05045	3.3
107.08657	0.9
109.06602	3.3
117.07104	2.5
119.05044	1.2
120.05835	6.7
121.06630	2.8
123.08182	6.5
125.09730	18.5
126.10015	0.9
133.06621	1.5
135.08177	100.0
136.08490	3.5
137.09763	1.8
142.65967	0.7
150.88387	0.7
151.11290	2.5
161.06055	1.1
161.09717	0.8
162.06822	1.1
163.11273	1.1
177.12924	1.0
183.10342	1.3
185.11861	1.6
189.12885	1.6
197.11792	0.8
199.13432	0.9
205.15921	4.6
207.10344	2.0
209.11844	1.8
221.11813	1.0
231.13947	1.0
233.11890	1.5
235.13564	0.8
237.14868	0.9
243.17627	1.4
249.14981	46.2
250.15291	3.5
261.18680	1.2
263.16528	2.3
268.37949	0.7
269.15509	2.0
287.16562	8.0
305.17618	67.0
306.17960	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	305.1762
Annotation	Corrin
Peak:m/z	Relative Intensity
54.14228	0.9
56.69514	0.8
56.90197	0.9
57.03442	1.6
59.01365	3.3
70.48648	0.9
70.48999	2.9
71.05028	36.8
81.03483	2.3
93.03466	3.6
95.05037	19.5
97.06606	1.2
100.91403	0.8
106.04272	1.3
107.05017	2.6
109.02969	1.0
109.06601	13.6
111.04549	1.7
112.62285	1.1
119.05109	1.3
120.05867	0.9
121.06606	5.8
122.03762	1.7
123.08225	1.0
125.09716	1.0
127.07668	2.4
135.08231	5.6
147.04510	2.2
147.08228	1.8
149.06090	1.5
150.06850	1.2
153.09253	0.8
161.06067	3.3
161.09749	1.5
163.11230	0.9
165.09207	10.5
173.09715	1.3
175.07646	1.2
179.14424	1.8
185.11848	2.4
189.12862	13.7
205.16006	8.2
216.69707	0.9
231.13954	3.0
233.11861	7.0
243.17549	9.1
249.14967	11.4
261.18585	2.7
263.16434	1.6
269.15515	2.0
287.16556	78.1
288.16977	6.9
305.17599	100.0
306.17896	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.5
59.01368	4.8
69.02276	20.0
71.05028	30.0
85.83993	2.4
93.03478	2.4
94.61898	2.2
95.05032	25.1
97.06578	3.5
107.05041	3.9
109.06593	11.8
111.04570	2.8
117.07113	20.0
119.04976	3.2
120.05902	2.4
121.06597	6.1
125.09737	7.6
135.08186	17.8
157.45808	2.4
161.06096	5.5
163.11319	3.1
165.09242	12.9
185.11978	2.6
189.12907	16.7
205.15968	9.1
209.11942	3.6
233.11836	9.2
243.17548	8.1
249.14983	14.0
258.96368	2.7
263.16339	2.5
277.18134	6.3
287.16565	96.8
288.16904	8.8
305.08191	2.7
305.17615	100.0
305.21136	5.4
306.17920	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	306.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99910	1.8
69.20290	2.0
69.54033	9.9
69.54426	4.3
98.22492	2.2
101.02459	1.7
121.19721	1.9
144.04568	100.0
145.04918	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	307.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.3
57.03457	7.2
58.00585	2.8
58.80024	0.9
59.01382	45.5
59.28675	0.9
67.01884	0.9
67.41658	0.8
69.03455	0.8
69.05604	1.2
69.05729	1.1
69.06185	7.3
69.06484	1.0
71.01388	55.0
72.99313	18.3
73.02953	14.9
81.03457	2.3
83.01398	11.0
85.02960	25.1
87.00885	2.7
89.02453	16.7
92.56976	0.9
95.01408	5.9
97.02959	1.3
99.00890	8.2
99.04531	6.5
101.02449	100.0
102.02781	2.5
108.28436	0.9
111.04569	1.3
113.02454	23.4
119.03525	6.9
119.84079	1.0
125.02462	1.9
127.00386	8.3
131.03394	1.0
143.03482	5.8
153.47440	0.8
159.02965	1.8
161.04573	4.7
263.07703	9.4
307.06723	51.3
308.07001	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	307.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.9
57.03446	8.5
58.00603	3.1
58.86418	0.6
59.01380	47.1
60.01704	0.5
68.99809	0.8
69.03453	1.3
69.75936	2.1
71.01382	57.4
71.05029	0.8
72.99310	20.9
73.02948	15.0
75.00889	1.1
80.89735	0.4
81.03458	1.8
83.01384	10.5
85.02952	26.7
85.12508	0.5
87.00871	2.4
88.81891	0.5
89.01881	0.9
89.02446	18.7
95.01395	5.7
97.02953	1.3
98.21815	0.6
99.00878	5.8
99.04533	6.3
101.02444	100.0
102.02779	2.1
111.04536	1.2
113.02451	23.4
114.02813	0.5
119.03510	6.4
125.02436	2.2
125.65102	0.4
127.00378	10.7
129.01971	0.5
131.03484	0.6
143.03525	7.1
155.03476	0.8
159.02991	2.1
161.04552	6.0
179.05728	0.6
194.52351	0.5
219.08546	0.6
263.07666	9.9
297.44345	0.6
307.06708	55.6
308.07098	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	307.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31155	0.2
59.01384	0.3
59.96729	0.4
66.45293	0.3
69.63420	1.5
74.89821	0.2
74.99078	7.3
75.96218	0.5
78.77902	0.3
91.02220	2.8
91.35303	0.3
93.00146	2.8
118.72018	0.3
149.00966	2.8
156.39476	0.3
159.08490	7.6
161.06418	2.6
192.98216	1.0
206.99760	1.8
209.01257	2.9
217.07242	0.8
223.02849	49.6
224.02898	4.0
241.03896	1.0
244.46017	0.3
275.05759	0.6
289.07529	1.8
290.07825	0.3
291.09116	100.0
292.09256	10.7
307.12213	2.2
307.19016	0.3
308.12527	0.3
309.10184	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20690	0.6
59.01390	0.7
59.78297	0.5
65.29855	0.6
66.26517	0.6
69.04226	5.1
73.51318	0.6
74.99072	5.0
91.02209	2.7
93.00118	3.2
96.11301	0.6
106.49162	0.5
117.40318	0.6
143.21536	0.5
146.33205	0.5
149.00935	2.7
159.08461	7.3
161.06409	2.3
180.34438	0.6
181.60570	0.7
185.73419	0.6
206.99689	2.0
209.01273	2.6
217.07274	1.0
221.67479	0.6
223.02847	51.0
224.02859	3.5
241.03905	0.8
289.07593	2.3
289.60178	0.6
291.09122	100.0
292.09274	10.4
307.12326	2.4
309.10187	1.1
317.54645	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.2
57.03431	1.4
58.00595	2.0
59.01384	54.4
60.01696	0.8
70.20734	1.2
70.21122	1.1
71.01388	30.8
72.99332	3.1
73.02952	2.1
78.14958	0.6
80.96514	0.8
83.01399	2.7
83.36531	0.5
85.02952	6.9
87.00884	1.6
89.02454	26.5
92.44283	0.5
93.03453	0.8
94.10056	0.7
95.01382	2.6
99.00876	1.2
99.08155	3.9
101.02454	19.5
113.02459	9.5
114.02836	0.7
117.03445	1.0
119.03529	10.6
119.05000	4.2
120.99607	1.0
124.39208	0.6
125.09446	0.7
127.07657	11.5
130.04269	1.0
130.12469	0.6
131.05060	1.4
135.04573	3.7
143.03494	0.6
145.02983	3.0
145.06635	10.7
145.08710	8.8
155.42224	0.6
158.03772	1.3
159.04530	2.5
163.04002	1.6
173.06082	7.2
179.03487	2.3
187.04034	3.6
189.05615	1.0
203.07124	1.6
217.05119	4.2
219.06577	0.7
219.10652	1.2
229.05132	0.8
232.44594	0.6
307.08270	3.5
307.14023	100.0
308.14386	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1402
Annotation	NSC-224070
Peak:m/z	Relative Intensity
53.58938	0.8
55.01886	1.5
57.03430	1.1
58.00591	2.7
59.01386	79.8
60.34097	0.8
68.19553	0.8
69.08770	3.3
69.09189	5.4
71.01389	25.8
71.17962	0.8
72.99304	2.9
73.02937	1.3
77.67808	0.9
83.01395	1.3
85.02948	6.2
89.02460	25.3
91.09856	1.0
93.50610	0.8
95.01412	2.1
99.00894	1.0
99.08151	1.4
99.53551	1.0
101.02460	18.7
101.49625	0.9
112.00336	0.9
113.02469	9.3
119.03534	9.5
125.95584	0.9
127.07692	8.2
145.06706	1.1
145.08730	14.6
163.04106	1.1
185.29893	1.1
307.14023	100.0
308.14267	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1403
Annotation	NSC-224070
Peak:m/z	Relative Intensity
55.01883	1.8
57.03453	1.4
58.00594	1.8
59.01386	51.7
60.01731	0.6
67.17313	0.4
70.41796	1.4
71.01389	25.3
72.01716	0.4
72.67664	0.4
72.99317	2.1
73.02964	2.5
73.74055	0.4
74.62862	0.4
75.00887	0.4
80.96533	0.7
83.01392	2.9
83.05034	0.6
85.02959	6.7
87.00893	1.7
89.02457	24.3
95.01400	2.1
98.21638	0.6
99.00905	1.3
99.08173	20.7
101.02454	18.9
111.00880	1.0
112.40453	0.4
113.02473	9.4
113.09763	0.6
117.03481	0.6
119.03514	10.5
119.05034	0.7
127.07666	6.1
129.09247	2.5
130.44118	0.4
131.03519	0.7
131.05064	0.5
135.04617	0.5
141.09241	2.1
143.03551	0.8
143.10858	0.7
145.02957	1.4
145.08723	64.1
146.09058	2.1
149.04550	0.5
161.04553	1.6
173.06100	0.9
179.03517	0.4
179.05655	1.0
187.04010	0.7
187.09764	2.2
199.42885	0.5
217.05211	0.7
219.10698	0.5
307.14017	100.0
308.14413	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	307.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	5.5
59.01368	5.9
62.47306	1.7
65.41977	1.5
67.01897	1.8
69.03438	3.6
70.86602	4.2
71.01397	1.7
71.05006	7.0
73.02927	6.9
80.02678	3.0
81.03493	4.3
81.99108	2.0
83.05037	9.4
84.02151	12.2
85.06594	4.6
86.11718	1.9
93.03454	2.2
95.04432	3.2
95.05039	41.6
97.02995	2.0
97.06596	6.7
98.03738	3.4
106.04240	1.9
109.06590	13.8
111.04544	9.2
111.08176	3.0
113.06098	49.8
121.06551	2.2
123.04500	2.8
123.08159	2.1
127.07625	4.2
137.09746	3.3
144.21632	1.9
145.06628	1.6
149.09712	5.1
151.11296	7.6
155.10773	5.2
157.17532	1.7
159.98703	1.8
162.79381	1.7
163.11296	2.9
163.40260	1.5
165.12897	2.6
167.10811	4.0
177.12865	2.7
179.10840	2.5
181.12360	2.2
183.13968	2.7
185.11829	1.9
191.14369	4.1
193.12338	5.8
194.08638	1.8
195.13927	6.9
205.16069	2.2
209.11871	9.1
211.13420	12.6
221.15663	2.1
233.15492	21.7
239.09274	1.9
245.19101	16.5
249.14873	4.9
261.18546	6.4
263.20184	7.6
271.17053	3.0
287.16431	1.9
289.18121	84.4
290.18546	5.6
307.19168	100.0
308.19449	6.7
325.02347	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1918
Annotation	Soraphen O
Peak:m/z	Relative Intensity
55.01877	4.9
57.03442	7.6
65.03964	74.3
69.20574	2.0
69.72167	10.5
71.05027	43.8
83.05054	2.9
95.05055	2.4
97.06603	79.3
98.06889	2.2
109.06587	2.6
119.08662	11.4
121.05721	4.8
121.06612	96.0
122.06875	2.7
123.08142	4.1
125.09731	47.6
137.09726	4.6
165.94531	1.9
180.49994	2.4
185.11850	86.0
186.12080	5.0
209.11830	33.0
210.12146	2.4
211.13402	32.0
217.12399	3.5
235.13400	100.0
236.13690	5.9
249.14882	4.0
289.18149	19.5
307.19156	26.8
308.19101	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	307.1919
Annotation	Soraphen O
Peak:m/z	Relative Intensity
57.27726	0.9
59.01365	2.5
59.72653	0.9
64.33690	0.9
69.14295	9.1
71.05013	5.4
81.03457	2.3
83.05028	2.4
91.72464	0.8
95.05036	1.5
97.06547	1.0
97.45882	0.9
98.03741	1.8
98.36196	1.0
109.03004	1.0
109.06597	12.2
111.04548	5.8
111.08135	1.3
123.08176	1.5
125.09734	1.0
127.07649	4.4
143.10747	1.6
145.06596	2.4
149.06076	0.9
167.10811	2.5
177.09427	1.0
179.10794	1.9
191.14465	1.7
195.13924	2.7
235.13458	1.7
245.19098	9.4
251.16499	1.6
271.16986	1.5
287.16501	3.2
289.18115	100.0
290.18494	8.6
307.19131	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	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74129	2.2
53.20647	2.3
57.03461	4.8
59.01377	3.5
70.33886	8.9
81.03465	5.0
83.01408	4.0
83.05023	2.4
93.03516	2.6
95.05025	3.0
95.53560	2.3
97.06605	10.1
97.40368	2.4
98.22475	2.6
107.05116	2.9
109.06525	3.7
123.04537	8.7
125.09743	16.7
135.08173	4.9
137.09718	10.3
163.07729	3.8
163.11320	12.6
174.26738	2.4
177.12827	3.4
179.10670	2.9
181.12302	2.9
185.11823	18.0
191.14400	17.3
207.10301	8.8
209.11884	27.0
225.11378	10.2
230.58597	2.5
243.40935	2.5
245.19133	43.8
271.17038	5.0
289.18124	100.0
290.18628	6.8
307.19168	55.8
308.19479	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	307.1917
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.78409	1.8
57.03433	8.7
57.33385	2.4
59.01369	6.9
71.01372	4.0
83.05016	2.4
95.05026	4.1
97.06602	13.7
102.35667	3.0
102.47379	1.9
107.08717	2.5
109.06561	4.4
111.08160	7.9
121.41263	2.2
123.04533	2.4
125.09728	3.9
137.06047	3.4
149.09718	4.7
151.11305	15.1
153.09236	3.6
153.12918	3.8
155.10799	11.9
163.11284	4.4
165.12868	13.9
167.10838	5.8
179.10786	5.3
181.12355	20.9
191.10782	5.6
191.14389	7.0
197.11865	5.2
205.12492	3.2
209.11885	29.4
211.13434	6.2
224.10533	4.3
235.20500	2.4
239.09235	4.2
245.19078	38.7
263.20139	10.2
271.16867	3.5
279.19559	4.5
289.18106	40.6
290.18378	3.9
307.19156	100.0
308.19632	7.0
322.02200	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	307.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	6.4
59.01369	4.6
69.03441	2.1
69.07007	10.6
77.35786	1.4
80.02670	3.1
81.03461	5.5
83.01369	4.0
83.05015	2.0
87.10661	1.2
95.05025	3.7
97.02946	3.9
97.06615	7.9
107.05070	1.3
109.06613	2.9
111.02583	1.3
119.08690	1.1
121.06615	3.2
123.04540	9.4
123.08199	3.1
125.09741	12.4
135.08159	3.0
137.09727	9.4
140.32570	1.2
141.09262	1.1
141.12883	2.8
142.02705	1.3
149.06096	2.7
151.11317	1.8
156.38156	1.2
162.10443	1.4
163.11307	13.7
165.09198	1.3
165.12833	2.7
167.10756	1.5
171.10283	1.4
177.12914	1.9
181.12357	5.3
185.11867	19.7
191.10773	2.1
191.14432	15.4
197.11699	1.1
207.10255	9.0
209.11823	17.5
210.12193	1.2
211.13510	1.8
217.16061	1.9
225.11336	7.7
226.12082	1.6
245.19119	38.3
246.19568	2.7
263.20288	2.0
265.17917	1.3
271.17084	3.9
271.63519	1.1
289.18124	100.0
290.18423	8.3
307.19171	60.0
308.19543	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	13.9
59.01371	6.7
63.11087	2.1
70.33743	6.1
71.01378	8.7
71.05022	2.4
80.02651	2.7
81.03447	2.5
81.11446	2.0
83.05016	4.0
86.60389	2.1
93.07059	2.4
95.05047	4.3
97.06602	16.7
100.23183	2.1
109.06622	6.6
111.08153	12.9
123.04523	3.2
123.08154	2.7
125.09726	5.2
126.59778	2.0
127.11274	3.2
131.04938	1.9
137.09770	4.2
147.11691	2.6
149.09702	6.0
151.11317	23.8
153.09221	3.0
153.12856	4.1
155.10793	16.0
158.25458	2.0
161.09721	2.4
163.11308	7.8
165.12878	28.9
167.10809	6.1
169.12299	4.9
171.10236	2.2
177.12895	3.5
179.10818	6.5
181.12381	27.0
185.11794	2.5
191.10820	11.8
191.14426	8.1
195.10126	2.6
205.12389	2.2
209.11859	47.5
210.12164	3.4
211.11670	2.0
211.13272	9.8
217.16052	2.6
224.10620	3.3
226.12035	2.4
239.09424	4.0
245.19121	39.2
246.19443	4.8
261.18567	3.1
263.20377	11.1
271.17017	4.8
279.19669	5.0
289.18140	51.7
290.18579	3.2
304.23849	2.0
307.19183	100.0
308.19513	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	308.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	8.0
58.02987	6.9
59.01385	100.0
63.25722	6.7
69.25243	29.4
69.25652	12.4
71.01036	6.2
71.01389	79.4
72.01720	7.4
72.99295	13.8
73.02952	8.5
75.00916	5.8
85.02955	53.1
87.00893	7.4
89.02454	57.0
95.70129	5.2
96.96039	6.0
101.02463	46.4
102.02790	6.9
113.02478	27.8
119.03516	24.2
129.01939	32.9
130.25369	5.3
143.03560	5.7
152.17906	5.1
161.04582	13.0
164.07149	6.2
178.57983	6.4
206.04962	6.9
308.04434	11.4
308.08005	16.2
309.08597	7.8
309.11966	61.3
309.15292	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	309.083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	28.7
68.91400	1.0
69.11671	1.1
69.45348	6.2
71.01389	12.8
72.99312	1.3
85.02956	75.2
87.00888	1.8
89.02452	14.3
92.50851	1.1
98.22526	1.4
101.02450	8.2
113.02464	5.5
119.03506	7.0
127.72811	1.0
129.01959	100.0
129.05589	1.8
130.02286	3.2
192.33992	1.0
210.50705	1.1
223.09944	1.1
283.77707	1.2
309.08200	8.3
309.11908	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	309.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.5
59.01381	9.3
67.99980	0.5
70.72364	1.7
71.01386	4.6
72.99329	0.8
77.37763	0.5
85.02955	70.3
86.03289	1.4
89.02450	4.9
96.13728	0.6
99.00848	0.8
101.02446	2.1
107.99339	0.5
113.02470	2.1
119.03516	1.7
129.01947	100.0
130.02271	1.9
151.33493	0.6
203.83411	0.6
241.14275	0.7
309.08359	8.8
309.11755	1.2
309.38626	0.7
309.42151	0.6
322.09137	0.7
329.73712	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12912	0.3
59.44955	0.3
61.99632	0.3
63.91899	0.3
69.20509	0.3
70.80976	0.7
93.26156	0.3
99.30530	0.3
106.56451	0.3
131.34067	0.3
144.39078	0.3
148.05307	44.5
149.05630	1.8
151.04028	0.3
151.07700	0.7
152.08426	0.4
165.05553	0.9
179.01730	7.4
180.04288	100.0
181.04630	4.0
196.02036	0.5
197.02838	0.8
209.15520	0.9
257.15439	0.7
265.18167	0.3
291.19800	0.3
309.14893	2.9
309.20447	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75575	0.9
59.01385	100.0
71.01398	2.8
79.95755	4.9
80.05094	1.7
80.96539	2.8
85.02965	2.9
87.00876	1.7
93.03490	1.9
96.96046	1.8
98.94299	1.0
101.02475	2.5
104.57275	1.1
119.05024	1.7
124.52188	0.9
129.01942	3.4
131.10468	1.0
135.82034	1.0
137.02493	2.3
143.05005	1.3
145.02962	2.3
146.08350	1.2
159.19870	1.2
203.03535	1.2
209.11987	1.3
221.10237	3.9
223.06409	4.2
223.08020	2.2
232.03790	3.3
235.07735	1.8
237.09239	1.2
247.06157	1.5
249.13568	4.1
265.08716	5.1
309.07190	6.3
309.10681	1.5
309.12881	1.8
310.06607	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	309.2073
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
50.14677	1.4
51.72859	1.5
51.94805	1.4
57.03470	3.6
57.23505	1.6
59.01374	2.1
69.64005	9.9
71.00691	1.4
71.05029	18.5
89.24902	1.5
90.00720	1.6
97.06596	6.7
98.21803	1.6
107.05058	3.0
111.08139	1.8
121.10260	10.1
125.09718	9.6
137.09724	18.9
165.12743	1.9
171.10289	41.3
185.11836	16.0
197.11833	7.2
209.15315	1.8
211.13347	3.1
219.13916	2.7
235.17085	1.9
237.14964	4.4
247.20834	1.9
251.16512	43.1
252.16838	4.8
254.91072	2.0
291.19662	100.0
292.20044	8.3
309.17181	3.6
309.20706	67.3
310.21024	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03438	1.9
59.01387	1.7
69.79331	5.0
71.38474	1.0
72.34751	1.0
90.08801	1.0
93.07088	1.3
96.96021	1.3
97.06600	1.9
98.32877	1.0
111.83126	1.0
117.14278	1.0
121.10255	10.7
123.08178	1.4
125.09730	10.2
137.09746	2.0
167.14406	2.0
171.10298	4.9
185.11879	12.2
197.11873	3.8
209.11746	2.2
211.13409	65.7
212.13757	4.8
221.15486	2.9
225.15059	1.8
251.14349	1.0
251.16351	5.1
273.18521	2.1
291.19681	100.0
292.20047	8.2
309.20660	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	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37272	1.5
57.03457	1.6
59.01381	1.7
69.03475	1.9
69.70221	2.1
69.70622	4.5
100.43679	1.3
109.06577	1.4
111.08170	37.8
119.89934	1.3
127.07667	2.9
137.09740	1.5
167.10669	1.6
169.12349	6.6
181.12326	3.0
197.11845	100.0
198.12169	5.1
199.13441	3.6
209.15472	5.5
211.13348	9.6
212.13548	1.5
227.12965	3.5
232.03127	1.7
251.16533	4.3
263.20157	4.5
265.18066	3.1
273.18787	2.0
291.19666	19.5
309.20752	38.5
310.20935	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65738	1.1
64.69449	1.3
69.03442	1.2
79.59259	1.3
82.49769	1.2
98.21813	3.4
109.06591	2.0
111.08167	29.3
127.07642	2.9
130.89029	1.2
151.11330	1.3
168.66397	1.1
169.12314	5.5
179.10779	2.0
181.12402	2.5
183.13832	1.3
193.67023	1.1
197.11839	100.0
198.12166	5.0
199.13420	3.3
211.13385	11.4
225.15060	1.6
227.12936	2.5
239.12984	1.3
263.20157	6.3
265.17978	2.0
291.19681	18.6
292.20065	1.5
309.20728	26.4
310.21188	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.1
57.03437	2.4
59.01372	2.3
62.87517	0.7
69.03455	1.4
70.48406	1.7
70.48775	1.6
71.05023	1.7
80.02676	1.7
80.08614	0.9
81.03460	3.5
83.01395	7.1
83.05044	4.2
90.23615	0.8
95.05034	1.4
97.02944	1.7
97.06596	4.7
98.03746	2.0
107.05032	0.9
109.06583	1.2
110.03768	0.9
111.08159	1.2
119.17890	0.8
123.04562	2.3
123.08165	3.5
125.06098	2.4
125.09741	10.5
135.08240	1.2
137.09695	1.5
139.11310	10.9
141.09203	1.9
151.07631	0.9
151.11266	1.5
153.12770	0.9
161.09627	1.6
162.10553	1.2
163.11295	7.0
165.12848	13.2
166.13193	0.8
167.10760	6.2
168.11555	1.5
171.10255	1.4
177.12578	0.9
181.12398	3.9
183.13892	2.3
186.74318	0.7
191.10838	2.6
193.12256	1.0
193.15947	4.4
197.11879	1.2
207.10298	1.2
209.11848	46.3
209.15079	1.7
210.12213	2.0
211.13460	1.0
219.31889	0.8
225.11450	0.9
226.57080	0.8
229.02213	0.9
245.19159	0.9
247.20711	15.4
248.20914	0.9
263.19989	1.0
265.21790	3.6
273.18542	3.9
275.40497	0.7
281.21091	1.6
291.19681	100.0
292.20081	7.8
309.17340	1.9
309.20734	29.6
310.21051	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91897	3.3
57.03446	4.0
59.01366	5.8
69.03451	7.8
70.34381	11.3
73.39549	3.3
76.44204	3.1
83.05018	4.3
88.16791	3.1
97.06579	3.7
111.08173	30.7
111.67935	3.7
119.08665	16.2
125.09749	8.6
126.16798	3.1
135.08217	4.1
137.09726	30.5
138.02211	2.9
151.04070	5.0
151.07623	7.5
151.11305	5.1
152.08412	7.7
153.09161	3.9
155.10794	4.5
162.10477	4.7
167.10799	4.4
171.10292	100.0
181.12378	5.3
183.10245	7.1
183.13905	13.5
183.18193	3.0
185.11850	30.3
195.13933	8.0
197.11848	70.3
197.15533	6.5
201.11415	4.4
207.13921	5.9
209.15454	13.1
211.13397	28.2
213.11371	9.4
223.13326	5.2
223.17039	4.4
225.14980	82.5
237.14987	3.8
247.17242	3.0
247.20645	3.6
251.16499	10.1
256.13324	3.8
263.20142	5.9
265.18073	7.4
273.18564	8.5
291.19696	68.4
292.19986	6.5
309.17117	25.3
309.20706	81.5
310.21057	8.2
327.10529	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	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.9
65.68825	1.8
67.01873	2.4
69.03468	3.2
69.59817	3.3
69.60224	6.9
71.05012	3.5
80.02673	14.1
81.03433	5.0
83.05038	33.2
84.02181	13.8
94.24372	1.8
95.05041	2.4
97.02977	2.4
97.06572	5.6
98.22504	2.2
99.08147	9.5
99.92446	1.7
109.06623	3.8
111.08134	2.0
115.07640	4.9
118.63815	1.7
122.85311	2.0
123.04503	4.0
125.09712	7.3
126.85368	1.8
127.11259	6.7
137.09729	51.2
138.10059	3.8
139.11320	9.9
146.87608	1.7
148.05318	14.5
151.03963	2.8
151.07657	9.0
151.11285	3.5
152.08392	3.1
153.09273	9.3
153.12791	2.3
155.10791	58.6
156.11148	2.8
163.11263	2.4
165.12842	2.2
167.10748	3.5
169.12379	2.3
171.10289	53.5
172.10565	2.4
172.68161	1.8
179.01627	1.9
180.04303	32.3
193.12344	32.4
197.11853	3.5
209.11775	4.1
209.15427	10.9
211.13330	7.2
247.20598	6.8
252.10085	2.1
263.20148	4.3
265.17914	2.1
265.21683	4.4
280.79697	1.7
281.21179	3.1
291.19687	100.0
292.19971	10.1
309.17001	12.4
309.20645	71.8
310.21011	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	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10540	1.2
55.90277	1.1
58.00600	2.5
59.01386	3.3
68.98580	13.9
69.03466	1.8
83.05014	1.8
91.42521	1.2
97.02956	1.9
97.06618	1.7
98.22523	2.6
106.04249	1.2
109.06588	3.4
110.24351	1.2
111.08169	31.2
112.08487	1.8
115.66980	1.2
122.96355	1.2
127.07675	3.9
137.09734	3.6
151.04018	2.9
151.07668	3.6
151.11337	1.5
152.08463	4.8
153.12851	2.0
168.12968	1.2
169.12303	7.5
171.10234	4.2
181.12393	4.4
183.13940	5.4
195.13902	1.7
197.11848	100.0
198.12198	4.8
199.13374	2.8
209.15497	12.2
210.15808	1.5
211.13441	15.7
217.16084	1.5
221.15488	1.8
223.17007	3.3
227.12952	2.1
233.15448	3.9
251.16612	6.3
263.20190	6.7
265.18069	1.9
273.18674	2.7
291.19684	26.9
292.20276	1.5
309.17108	12.1
309.20728	53.3
310.21078	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
51.30190	2.9
57.03447	3.7
59.01378	3.1
69.03469	3.0
69.35930	21.9
80.02681	3.8
81.03468	4.0
83.05029	17.6
97.06574	3.5
98.21821	6.1
109.06559	3.7
125.09703	7.8
127.11307	3.4
137.09721	25.9
139.11343	10.5
151.03986	4.1
151.07623	12.9
151.11249	5.0
152.08430	10.8
155.10788	23.5
156.00467	4.2
165.12833	8.8
171.10333	18.9
193.12253	11.7
193.15973	4.8
194.12872	3.5
197.11870	7.8
209.11876	19.2
209.15456	23.8
211.13509	5.9
222.76440	3.2
229.68077	3.7
247.20654	9.1
265.18130	3.9
265.21796	4.5
273.18729	4.4
291.19693	100.0
292.19934	4.8
309.17081	37.8
309.20712	59.8
310.17523	4.1
310.20914	6.8
328.96167	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	309.2074
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
52.61663	3.7
57.03449	21.6
59.01385	4.0
69.03454	5.0
69.04251	38.4
71.01391	14.0
81.01353	3.6
83.05043	10.1
97.06625	6.1
111.08172	10.1
113.09743	18.5
151.04053	5.2
151.07655	11.8
151.11307	44.4
152.08434	10.8
163.11327	6.0
165.12848	49.3
167.10834	5.3
179.10860	10.1
181.12355	47.9
190.47968	3.8
191.10793	20.1
195.86487	4.0
197.11978	4.9
209.11858	100.0
209.15485	17.0
210.12206	5.2
211.13394	13.0
247.20670	11.3
259.80453	3.9
263.20248	6.3
265.18185	4.8
265.21735	16.5
281.21313	9.2
291.19690	25.0
309.17056	28.4
309.20746	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.0934
Annotation	Dhurrin
Peak:m/z	Relative Intensity
50.10943	1.4
50.45569	1.6
55.01881	2.0
57.03440	1.7
58.00587	2.8
59.01085	3.0
59.01381	60.1
65.96896	1.4
67.68878	1.6
69.81465	5.2
69.81864	3.6
71.01383	34.6
72.99325	3.4
73.02939	3.4
73.97392	1.4
75.00840	2.5
83.01411	1.9
83.51952	1.6
85.02962	11.0
87.00895	4.6
89.02444	37.5
92.05068	10.1
95.01396	2.8
101.02440	19.6
113.02482	13.2
116.05067	5.3
118.03003	5.9
119.03511	13.1
120.04546	9.7
131.03654	7.5
132.04565	16.2
134.06117	3.4
143.03500	2.4
144.04555	8.8
146.02496	76.7
146.06128	2.3
147.03271	64.3
148.04066	22.5
158.06207	3.7
159.03197	1.8
160.04053	100.0
161.04424	5.9
170.06163	2.0
172.03979	7.9
174.05632	14.7
179.02242	18.4
179.05559	2.8
185.04861	1.8
186.05603	6.0
202.05080	28.6
203.05367	2.4
204.06606	2.4
214.05101	9.8
232.06165	4.2
254.57013	2.1
298.16681	1.5
310.09332	84.3
311.09555	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	310.0935
Annotation	p-Glucosyloxymandelonitrile
Peak:m/z	Relative Intensity
55.01902	3.7
56.99215	2.8
57.03454	2.9
59.01379	55.7
69.51923	19.4
71.01387	42.3
72.99283	3.9
73.02941	7.9
75.00906	2.8
83.01389	5.1
85.02954	13.0
87.00892	4.9
89.02451	40.8
92.05062	9.4
93.03458	4.8
101.02444	22.0
113.02448	9.7
118.02993	5.5
119.03510	13.1
119.05058	3.4
120.04562	9.4
120.99693	4.3
121.05132	3.1
131.03697	9.5
132.04581	19.7
134.06137	5.0
137.02415	4.7
144.04581	9.4
146.02480	85.9
147.03276	66.2
148.04044	27.7
148.42110	3.6
160.04047	100.0
161.04405	7.2
162.05611	7.8
172.04012	10.7
174.05620	17.7
179.02242	19.8
179.05621	3.8
186.05589	6.8
202.05124	37.0
204.06662	3.3
214.05075	10.8
220.06247	3.4
232.06139	4.6
244.22551	3.4
266.06998	3.3
275.74261	3.4
310.09308	91.9
311.09451	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	311.0541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	45.2
67.99399	8.5
68.98867	100.0
68.99266	21.7
71.01384	22.5
85.02966	18.3
87.00890	10.7
89.02461	28.6
101.02447	10.3
119.03489	21.2
126.98910	28.1
129.01884	9.9
311.05301	11.0
311.09567	13.5
324.28955	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	311.0541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	45.2
67.99399	8.5
68.98867	100.0
68.99266	21.7
71.01384	22.5
85.02966	18.3
87.00890	10.7
89.02461	28.6
101.02447	10.3
119.03489	21.2
126.98910	28.1
129.01884	9.9
311.05301	11.0
311.09567	13.5
324.28955	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	311.0541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	45.2
67.99399	8.5
68.98867	100.0
68.99266	21.7
71.01384	22.5
85.02966	18.3
87.00890	10.7
89.02461	28.6
101.02447	10.3
119.03489	21.2
126.98910	28.1
129.01884	9.9
311.05301	11.0
311.09567	13.5
324.28955	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	311.1141
Annotation	Deoxyanisatin
Peak:m/z	Relative Intensity
52.74269	0.8
57.03442	2.9
59.01406	1.5
65.22855	0.8
65.86855	0.7
70.33442	1.3
70.33797	2.0
71.01373	1.0
72.25144	0.7
72.99319	2.1
81.03465	1.4
83.05029	1.2
92.25925	0.7
93.03487	1.3
95.05025	1.3
96.96043	1.3
97.02958	32.0
97.06591	4.0
98.55298	0.7
99.41292	0.8
99.95000	0.8
107.05064	0.9
123.08189	3.8
125.09733	1.9
134.03777	1.0
135.04518	0.8
151.04016	3.0
160.15921	0.9
179.14421	4.8
186.06868	1.8
205.12410	4.0
214.06409	2.2
223.13411	100.0
224.13722	6.3
239.07043	1.8
249.11267	1.1
267.12402	50.9
268.12604	4.6
282.09210	0.9
311.11206	10.1
312.12601	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.223
Annotation	CHEBI:132678
Peak:m/z	Relative Intensity
57.03439	2.5
59.01372	2.2
66.55504	1.0
69.09924	8.9
83.05016	1.7
99.08170	3.8
111.08138	1.1
113.09724	5.4
125.09695	1.2
127.07652	1.7
129.09254	9.7
139.11331	1.5
151.11342	1.6
153.12920	1.0
154.44026	0.9
169.12328	4.2
171.10324	2.2
180.40761	1.0
181.12357	8.9
182.88414	1.0
183.13870	2.8
193.12361	3.5
197.10175	1.6
197.11842	17.9
198.12160	1.1
199.13416	10.4
211.13416	32.0
212.13708	1.7
222.71117	1.1
265.21652	1.3
275.20203	2.3
293.21246	24.5
294.21622	1.8
311.22296	100.0
312.22623	9.5
319.80878	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.223
Annotation	12,13-Epoxy-9-hydroxy-10-octadecenoate
Peak:m/z	Relative Intensity
57.03446	2.9
58.75925	1.6
59.01381	3.6
61.98839	3.1
69.62063	5.6
69.62473	3.7
95.94089	1.7
97.06586	2.4
99.08211	2.7
111.08175	15.6
112.08513	13.9
113.08629	1.6
117.95048	1.6
120.72145	1.5
123.08206	1.6
125.09705	2.0
127.11307	2.9
129.09248	2.1
137.09732	2.0
139.11340	12.1
143.07182	3.7
151.11365	2.2
169.12347	2.9
170.12718	3.5
171.10269	31.3
171.12738	1.9
173.08261	2.9
181.12354	1.6
185.11845	4.0
193.12303	9.3
197.11848	21.7
198.12206	41.7
199.12352	45.9
201.11380	3.8
201.14024	1.9
211.13416	11.6
212.13835	4.4
213.14026	6.7
265.20889	6.6
267.18777	2.7
275.19696	1.7
293.20956	32.3
311.22211	100.0
312.22540	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	311.2231
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03444	2.0
59.01360	1.8
65.36054	0.9
69.10133	3.2
69.10554	5.6
71.01437	0.9
96.60824	0.9
98.21761	1.1
99.08180	3.3
101.03017	0.9
112.43559	0.9
113.09715	3.7
128.56444	0.8
129.09250	9.1
139.11279	2.0
151.11313	1.4
159.27994	0.9
167.10799	1.2
169.12312	3.2
171.10278	8.6
172.10631	1.0
177.25020	1.0
181.12358	7.0
183.13922	2.9
185.11810	1.5
193.12350	2.7
197.11873	12.3
199.13425	5.3
201.11411	1.7
205.08286	0.9
211.13422	24.6
226.33833	0.9
275.20197	2.2
293.21240	18.5
294.21481	1.2
311.22308	100.0
312.22775	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	312.0064
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77636	0.7
55.12673	0.7
59.01394	3.5
61.98816	1.3
71.01402	0.9
71.27203	1.1
74.99364	0.9
89.50715	0.6
99.98927	1.9
107.68845	0.6
108.33009	0.9
117.00467	5.6
126.00484	6.6
126.98161	0.7
126.99929	1.1
129.00430	1.0
129.19977	0.6
140.01970	0.6
141.99977	71.5
143.00105	4.3
151.98367	0.8
159.01515	1.9
167.99683	1.8
168.99138	1.5
169.89513	1.1
169.99469	100.0
170.97847	11.4
170.99287	6.5
171.01538	3.1
183.99403	1.3
184.01035	23.0
185.01280	1.4
199.58818	0.6
217.00679	1.1
259.01642	0.9
277.53778	0.6
309.75067	0.7
312.00620	2.0
313.02713	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	312.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88796	0.6
59.01378	7.1
64.40307	0.5
70.57424	0.6
71.01383	5.2
71.41943	1.1
72.99277	0.9
74.78352	0.6
78.81041	0.8
85.02940	0.8
89.02466	3.6
101.02430	3.1
108.04562	100.0
109.04890	2.0
113.02475	2.2
119.03481	1.9
125.53627	0.7
150.05611	66.3
151.04021	11.8
151.05957	1.7
160.14572	0.7
189.92970	0.6
222.54063	0.6
313.09256	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	312.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.8
58.00593	0.6
59.01392	11.5
66.45189	0.6
66.82232	0.6
67.92802	0.6
71.01392	8.5
71.39005	1.1
72.99306	1.6
73.40997	0.5
81.03482	0.8
83.01387	1.3
84.76067	0.6
85.02958	2.5
89.02454	7.4
99.00900	0.6
99.04519	2.7
101.02462	5.8
101.40871	0.6
107.03790	0.8
107.05038	1.5
108.04570	100.0
109.04910	3.0
113.02444	2.5
117.33340	0.6
119.03520	2.7
123.04544	1.4
127.00372	0.8
135.08183	0.8
149.02487	0.7
150.02844	2.8
150.05624	65.4
151.04027	19.7
151.05989	2.4
179.05661	0.7
312.11087	3.4
313.09326	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	312.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.8
64.17290	1.3
66.03488	3.2
68.05048	2.2
69.08346	11.4
82.06609	6.4
84.08197	13.1
85.04095	1.0
87.05651	16.9
88.04049	1.3
97.04083	11.7
100.07688	1.5
108.44477	1.1
122.17620	1.2
128.07193	1.8
130.08754	100.0
131.09065	3.0
138.08015	1.2
139.08789	1.4
140.07190	1.5
140.10831	3.6
145.30034	1.3
153.10349	18.5
155.08327	2.0
155.11890	13.8
156.06749	1.8
157.13432	1.5
158.08183	4.0
165.10397	9.2
166.08705	2.0
180.13980	2.6
181.09842	35.1
182.10278	1.5
183.11423	24.8
186.06859	4.5
187.07216	5.8
188.44185	1.1
195.15097	3.3
197.16608	42.7
198.17055	2.1
200.60457	1.4
207.14980	1.5
211.13251	1.8
213.40678	1.1
214.06355	5.0
215.06688	7.8
223.14452	1.7
225.08899	1.8
225.19725	4.4
250.19223	2.2
251.17679	7.9
268.14355	8.3
268.20325	61.8
269.14969	3.3
269.18491	2.7
269.20969	2.5
295.16647	7.3
312.19318	94.4
313.19867	8.5
313.23215	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	313.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	96.8
71.01408	100.0
71.14992	75.2
72.37679	39.3
80.86269	44.3
101.02437	48.8
101.38387	40.7
115.04047	52.6
141.28343	40.2
179.05620	57.0
250.32901	52.8
277.09305	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0722
Annotation	Sophoracarpan B
Peak:m/z	Relative Intensity
57.30901	1.1
59.01382	2.3
63.02409	7.4
65.00325	3.3
69.08913	1.1
89.69941	1.1
98.22547	1.8
105.87315	1.0
107.01401	3.1
119.05036	1.7
121.02977	2.8
143.05038	4.7
145.03067	1.6
147.00905	1.4
151.00345	1.6
165.07117	1.7
172.91011	1.1
180.05879	1.9
181.06537	1.8
185.06122	1.4
197.06114	3.7
209.06105	4.6
225.05560	2.8
253.05092	100.0
254.05432	6.5
265.50766	1.1
271.06177	6.7
313.07202	35.1
313.23846	3.5
314.07523	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0722
Annotation	Sylpin
Peak:m/z	Relative Intensity
68.44609	0.2
72.57758	0.2
75.00846	0.2
93.03477	0.4
102.33932	0.2
121.02969	100.0
122.03301	3.2
141.77306	0.2
143.48083	0.2
158.07188	0.2
180.05852	1.0
181.06615	4.2
191.60239	0.2
225.05591	6.8
226.05922	0.5
269.08237	0.3
313.07205	13.1
313.23773	0.2
314.07596	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0931
Annotation	Bungeiside B
Peak:m/z	Relative Intensity
54.26994	1.5
55.01862	1.9
57.03437	2.0
58.00592	5.0
59.01383	100.0
63.88834	1.7
69.73702	7.7
71.01385	59.7
71.05063	1.5
72.99299	5.5
73.02946	2.5
73.84307	1.6
81.03458	3.0
81.71248	1.7
83.01395	2.9
85.02958	11.6
89.02449	76.0
90.02784	2.1
95.01386	4.1
95.05029	1.8
97.02993	1.7
97.06582	2.6
98.22521	1.6
99.04569	7.1
101.02446	39.0
108.04584	9.7
109.04874	6.4
113.02448	23.1
114.63130	1.5
119.03506	31.8
121.03046	1.6
127.08826	1.7
131.03514	2.7
143.03513	3.0
149.04510	2.8
150.05598	5.9
150.06769	2.1
151.04015	55.2
151.05940	5.6
152.04395	3.1
161.04524	1.9
168.10278	3.0
176.77670	1.4
179.05725	2.5
186.11371	6.9
202.46159	1.6
224.59541	1.8
252.12340	2.2
258.56891	1.5
270.13443	3.4
273.40213	1.7
313.09299	14.7
313.12799	3.1
314.12717	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	313.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29560	1.0
55.01884	1.5
57.03430	1.4
57.74901	1.0
58.00586	4.8
59.01381	100.0
61.68348	1.0
69.47937	7.0
71.01385	56.4
72.99310	4.2
75.74274	1.1
83.01375	2.4
85.02947	10.7
87.00889	2.0
89.02451	60.9
90.02798	1.4
92.76118	0.9
95.01387	3.6
99.00896	2.0
101.02448	36.9
107.05032	4.6
113.02463	19.9
119.03506	29.3
131.03503	2.1
143.03477	1.5
149.04555	1.6
150.06874	2.8
151.04012	3.4
179.05576	2.1
180.48735	1.0
193.04866	1.2
269.09238	1.2
313.09299	8.4
313.12399	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	313.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12622	1.6
57.02269	1.2
57.03454	1.8
59.01376	3.5
61.92178	1.2
69.09231	11.8
71.01401	1.4
72.37240	1.4
75.00856	1.4
80.02695	1.7
81.03462	26.1
87.00884	100.0
88.01241	1.3
95.05029	3.1
97.02966	1.5
97.06068	1.6
97.06593	7.0
98.03750	3.8
109.06625	2.2
123.08203	2.0
125.09738	37.9
126.10057	1.6
163.11333	4.2
179.14401	10.4
185.11816	2.3
207.10396	1.6
207.13910	3.5
223.13412	88.3
224.13788	5.8
233.11781	3.0
241.14473	35.1
251.12914	31.1
252.13223	2.8
295.12164	1.8
313.12634	1.6
313.16623	2.8
325.70236	1.4
330.93875	1.3
335.32822	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0724
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
57.99150	0.7
59.01373	2.7
69.34003	5.2
71.01382	1.2
82.37543	0.7
87.42007	0.8
97.02950	1.5
101.02433	1.2
105.56456	0.7
108.02181	9.6
109.02958	78.9
110.03320	2.1
115.04021	0.8
116.52002	0.7
117.05585	2.9
124.42727	0.7
152.01169	4.0
153.01945	100.0
154.00323	0.8
154.02298	3.6
272.70883	0.7
310.33383	0.9
315.07199	7.7
316.10342	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.6
59.01382	1.7
69.03474	3.8
69.04071	4.9
71.01399	1.0
71.04666	0.5
71.05016	2.3
83.48244	0.4
89.02464	0.6
90.88395	0.4
91.04018	1.8
98.22544	0.8
111.04565	0.4
123.08168	0.6
125.09722	2.1
149.09734	0.6
151.11288	2.3
153.12894	2.0
161.09721	3.1
179.10779	13.2
180.11136	0.5
191.14442	0.5
197.11839	100.0
198.12181	4.8
223.09764	1.4
241.10832	16.6
242.11150	1.2
315.14490	35.3
316.14865	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	315.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.7
59.01392	3.1
63.04912	0.3
69.03462	3.9
69.84466	0.9
69.84861	0.6
71.01378	1.1
71.05033	2.7
71.34434	0.3
80.69288	0.3
83.05025	0.3
89.02467	1.1
91.03996	1.8
97.06592	0.6
123.08173	0.9
125.09762	2.8
151.11290	1.7
153.12914	1.8
161.09703	3.6
179.10789	15.4
180.11171	0.6
197.11842	100.0
198.12204	5.2
214.27785	0.3
223.09807	2.3
224.10097	0.3
241.10826	17.3
242.11230	1.0
271.10907	0.5
280.13342	0.3
315.14502	37.7
316.14792	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	315.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56608	1.1
55.01885	6.2
57.03463	5.9
58.00601	2.6
59.01387	49.8
69.03456	1.3
71.01389	100.0
72.01715	1.3
72.99316	3.7
73.02954	25.8
75.00882	2.0
77.02068	1.0
83.01398	10.8
84.02179	1.6
85.02963	43.3
86.03281	1.1
87.00892	3.3
89.02455	26.6
95.01394	7.6
95.46378	1.1
97.03000	1.7
99.00903	14.2
101.02459	56.1
111.23708	1.1
113.02467	38.7
119.03519	7.2
125.02448	1.9
129.01956	1.2
138.23936	1.1
143.03542	2.2
159.03024	7.4
161.04565	18.8
205.03629	2.1
211.18230	1.4
229.08665	3.0
238.76378	1.3
241.66536	1.1
251.45454	1.2
254.99487	1.2
264.81351	1.2
287.13000	1.6
315.08951	1.4
315.12589	3.4
315.17999	1.5
315.21509	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	315.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34385	0.6
55.01889	5.0
57.03447	4.7
58.00588	1.6
59.01384	43.3
62.55760	0.8
69.03468	0.9
71.01388	100.0
71.29809	1.1
72.99323	3.4
73.02952	22.0
75.00878	1.6
83.01390	10.9
84.02164	0.7
85.02959	43.2
86.03323	1.3
87.00397	1.0
87.00899	3.4
89.02451	26.9
95.01392	6.6
97.03001	1.0
99.00895	14.8
99.25945	0.9
101.02452	52.3
102.02808	1.2
113.02460	34.8
114.02795	0.9
119.03505	7.3
125.02457	0.9
129.01971	1.9
143.03523	2.7
159.03032	6.8
161.04558	19.9
205.03546	1.4
227.07254	1.1
229.08881	1.2
315.12781	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	315.1966
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
55.62770	1.0
59.01348	1.4
71.30265	1.1
79.34285	1.1
83.68465	0.9
87.60925	0.9
104.61188	1.0
151.74130	1.2
188.47069	1.0
203.70763	1.1
221.01277	1.0
229.08821	2.3
239.16595	1.0
244.11099	4.2
248.67577	1.1
299.16434	1.4
315.19675	100.0
316.20090	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	316.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
62.26510	0.2
69.57823	0.8
69.58238	0.3
73.38198	0.2
95.01388	0.4
101.72227	0.2
114.81120	0.2
123.00903	2.9
124.01680	7.1
153.00682	3.0
154.01471	100.0
155.01816	3.4
164.16499	0.2
166.73495	0.2
199.41478	0.2
205.89293	0.2
246.40282	0.2
259.74963	0.2
272.11276	0.3
301.50494	0.2
316.06750	14.0
317.07034	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.9
57.03451	2.2
58.00611	2.2
59.01093	2.5
59.01384	48.1
60.13249	1.1
68.01383	1.5
70.72176	1.6
70.72495	1.6
71.01385	39.8
71.04996	1.0
72.99309	2.9
73.02956	8.7
79.95748	1.1
80.96521	9.4
83.01386	6.0
85.02957	12.9
86.00095	1.3
87.00879	3.0
89.02449	25.4
90.02731	1.2
94.02982	2.3
94.98109	2.7
95.01397	3.2
96.96951	1.3
99.00888	2.4
101.02448	30.0
109.02924	2.4
110.02489	6.3
110.03230	2.0
112.04051	2.5
113.02456	17.0
117.05590	1.4
119.03486	9.5
124.04060	9.8
129.01880	1.3
136.04056	58.5
137.04367	2.1
138.05602	5.1
153.01949	1.6
154.02306	2.5
154.05072	7.2
161.04582	1.7
164.98552	1.5
178.05042	1.2
179.05675	2.1
196.06152	3.4
214.00325	3.7
225.00798	2.1
226.07187	1.3
256.08252	5.9
274.06049	1.4
279.10886	2.9
280.11237	2.1
286.09201	2.7
312.85056	1.2
316.07373	4.0
316.10382	100.0
317.05444	24.4
317.10724	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	317.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48872	0.1
55.59351	0.1
57.55391	0.1
59.01385	0.7
59.01628	0.1
59.02271	0.1
63.96242	0.6
69.03469	0.3
69.60623	0.6
69.61029	0.3
71.01389	5.6
72.99313	0.3
73.02955	1.3
78.98599	4.6
79.95739	5.8
80.02092	0.1
80.53971	0.1
80.96525	53.3
81.03465	0.7
81.96436	0.2
83.01394	0.3
85.02961	2.3
87.00877	2.1
94.98096	10.9
96.96030	0.7
97.02955	1.2
97.52754	0.1
99.00901	0.5
99.04514	0.2
101.02452	1.8
101.46889	0.1
106.98104	2.3
113.02473	0.2
122.97595	2.6
125.02457	2.4
127.04009	0.7
132.31425	0.1
132.33286	0.1
134.97589	3.8
136.99153	1.4
138.93802	0.2
143.03508	0.2
146.97583	0.2
148.99152	4.6
150.97087	0.2
151.20302	0.1
151.97839	0.1
152.98647	5.0
152.99896	0.3
158.60045	0.1
164.98643	9.7
165.98907	0.1
167.00214	0.4
181.17487	0.1
188.98705	0.2
206.99722	2.2
225.00755	14.8
226.01076	0.4
274.85312	0.2
274.88547	0.1
317.05484	100.0
318.05832	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	317.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43021	2.1
58.00591	4.2
59.01387	100.0
66.40565	2.0
68.88264	1.9
69.52217	14.1
71.01388	57.8
72.99323	2.7
80.96512	2.5
83.01392	2.5
85.02975	12.5
87.00880	1.9
89.02457	74.2
93.07108	38.4
95.01393	3.9
97.60775	2.1
98.22478	3.0
101.02453	28.7
102.74788	2.2
113.02473	21.0
119.03518	31.0
119.77536	2.2
124.01687	5.3
125.02013	2.2
143.03499	3.5
154.01477	36.5
155.01820	35.8
155.07184	6.0
158.42659	2.3
161.04584	2.6
174.99202	2.1
179.05623	6.4
184.67630	2.6
317.06799	6.5
317.12576	19.5
317.15842	3.5
338.80948	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	317.2122
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
78.97834	0.9
84.01858	0.7
98.21699	1.1
105.35134	0.7
120.06971	0.8
162.44273	0.8
197.92867	0.7
220.11447	0.7
228.83540	0.8
317.21225	100.0
318.21487	10.5
322.08716	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2123
Annotation	(plusmn)12-HEPE
Peak:m/z	Relative Intensity
56.91265	4.6
59.01377	19.7
63.73286	5.3
74.00656	4.8
77.48624	5.1
84.80652	5.2
98.22546	12.0
102.86541	4.6
105.10123	5.2
109.15916	5.2
135.11752	5.6
136.13364	5.2
150.38780	5.5
179.10803	37.5
207.10269	8.2
255.21210	12.7
299.20026	8.1
317.21179	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	317.2124
Annotation	15-OxoETE
Peak:m/z	Relative Intensity
55.78421	1.8
57.03458	20.4
59.01392	11.7
63.86154	1.7
70.17850	5.1
70.18208	2.5
93.07125	1.9
97.06586	5.9
107.08680	4.5
113.09742	100.0
114.10040	1.9
121.10223	6.1
139.11298	35.0
147.11813	7.4
159.11862	2.3
165.12863	10.1
175.14886	3.8
182.90521	1.9
191.14455	3.9
203.10771	5.4
219.14040	2.6
273.22314	26.4
274.22818	2.4
299.20169	2.2
317.17773	2.3
317.21237	46.2
318.21597	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	318.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.2
58.00585	4.8
59.01386	98.1
68.77314	1.0
70.84730	1.5
70.85056	1.8
71.01390	49.6
72.99309	3.3
73.02942	2.8
83.01401	2.9
85.02962	12.4
87.00888	2.6
88.42812	1.0
89.02456	49.3
93.78780	1.3
95.01401	3.1
101.02453	32.1
108.04634	1.1
113.02459	17.7
119.03508	23.0
131.03540	1.2
138.04539	1.8
138.05626	25.6
139.05984	1.1
140.12840	1.3
156.06696	17.8
179.05606	2.1
192.99976	1.1
259.36057	1.0
318.11966	100.0
319.12366	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	319.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59332	8.1
59.01386	48.6
60.65855	7.3
71.01384	57.2
71.29510	12.6
71.29890	11.6
73.02954	14.3
79.64077	7.0
80.96512	23.5
82.96090	37.7
83.01415	8.1
85.02960	21.9
87.00861	21.2
89.02454	9.9
93.03474	7.6
96.97665	13.3
101.02441	43.4
110.02517	8.1
111.00815	8.2
113.02448	28.1
113.06106	13.2
120.99706	13.4
125.02399	10.2
130.05374	7.1
160.10440	8.7
161.04498	20.5
273.15158	8.6
275.11484	10.4
283.10361	27.7
319.05246	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	319.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54518	1.3
52.97107	1.4
59.01383	100.0
66.11113	1.3
69.85085	5.3
71.01382	3.7
85.02962	2.0
86.34782	1.5
86.98189	1.5
97.59765	1.6
99.00932	1.4
101.02428	3.6
111.51930	1.8
112.75669	1.4
126.15032	1.5
129.30380	1.6
161.04559	3.7
259.08243	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	319.1401
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
55.01875	4.6
57.03438	3.0
58.00592	3.6
59.01385	100.0
69.23251	1.0
69.79369	5.6
71.01391	66.1
72.99311	3.9
73.02957	12.6
83.01411	9.3
85.02959	19.9
87.00885	3.1
89.02454	59.4
95.01385	5.2
99.00903	3.8
99.91400	1.0
101.02457	50.7
111.00949	1.4
113.02464	30.3
119.03518	27.1
120.80954	1.1
125.02431	1.2
131.03523	2.8
139.07646	3.1
143.03526	3.5
143.06796	1.0
143.74789	1.2
149.04596	2.2
157.08745	3.7
159.03020	2.3
161.04576	10.5
179.05589	3.5
180.89148	1.1
212.53500	1.4
275.15015	3.7
282.25317	1.1
319.14014	41.2
320.14511	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	319.14
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.7
57.03443	1.4
58.00607	2.8
59.01382	76.8
71.01386	45.9
72.99319	3.9
73.02942	3.6
83.01392	5.4
85.02960	11.2
87.00832	1.6
88.22353	0.9
89.02448	39.4
95.01389	3.7
98.22543	2.2
99.00910	1.7
101.02448	28.8
102.98597	1.2
108.44511	0.9
113.02456	14.5
119.03513	16.6
121.02984	1.4
131.03528	1.4
139.07655	18.4
143.03462	1.3
144.12189	1.1
149.04521	1.1
157.08675	6.5
161.04617	2.3
175.06216	0.9
189.27846	1.0
275.15060	1.4
277.77795	1.2
319.13995	100.0
320.14474	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	319.228
Annotation	19S-HETE
Peak:m/z	Relative Intensity
54.37735	0.9
66.30139	1.1
66.92170	0.8
71.29859	1.2
77.91463	0.8
79.95747	2.2
80.96530	1.0
96.13535	0.8
96.14129	0.8
106.98090	1.0
138.02281	1.2
214.72610	0.8
274.98923	0.8
319.22797	100.0
320.19022	5.5
320.23181	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2282
Annotation	(plusmn)12-HETE
Peak:m/z	Relative Intensity
54.48699	2.7
56.50974	2.6
59.01385	40.8
59.26350	2.6
69.03453	5.8
70.47102	8.0
70.47459	3.7
72.83309	3.4
73.22064	2.7
107.08665	6.4
115.60352	3.0
122.51900	2.7
135.11801	13.3
139.11316	8.4
153.12793	3.5
163.11307	14.0
179.10808	76.1
180.70349	2.9
203.17979	6.9
207.10269	9.7
208.11037	5.9
216.40887	3.1
223.28310	3.1
240.10081	5.7
257.22766	29.6
258.23065	4.0
275.20102	8.1
275.23709	7.2
278.95456	2.7
301.21637	29.2
319.19312	6.9
319.22781	100.0
319.26553	6.3
320.23053	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	319.2281
Annotation	15-Hete
Peak:m/z	Relative Intensity
50.52370	1.5
57.03434	4.3
59.01094	2.0
59.01382	31.7
65.28426	1.6
69.03470	1.8
69.44336	4.7
69.44746	4.7
83.05005	3.2
97.06561	1.9
99.08146	6.1
107.08662	2.9
113.09735	23.0
119.08697	2.9
121.10244	15.1
139.11301	3.8
147.11821	1.8
149.13396	2.8
157.51909	1.6
164.37585	1.6
175.14946	36.2
182.65616	1.6
203.17990	6.2
205.12296	1.9
219.13918	55.1
220.14264	3.9
257.22772	36.6
258.22964	4.3
275.23807	4.3
301.21753	52.1
302.22098	3.9
317.21094	1.9
319.22778	100.0
320.19870	1.6
320.23019	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	319.2281
Annotation	19S-HETE
Peak:m/z	Relative Intensity
51.43969	1.5
52.44038	1.4
57.03442	7.5
59.01377	3.6
70.62823	4.1
70.63181	2.5
75.11839	1.9
76.48393	1.7
88.37440	1.6
95.81792	1.5
97.05846	1.6
97.06596	2.0
104.43248	1.6
109.98898	1.8
113.09742	34.0
134.54652	1.6
139.11313	12.0
139.12262	2.3
165.12962	1.8
193.12480	2.0
205.12372	5.6
221.15448	3.0
275.23807	3.6
319.22803	100.0
320.23151	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	320.099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.62521	4.8
66.23497	5.2
70.88658	7.2
71.01394	54.3
73.02958	5.9
81.03471	6.5
85.02971	8.5
89.02447	66.2
97.02972	8.8
98.00706	5.1
99.04551	11.2
101.01000	7.8
101.02441	28.3
109.75673	4.7
113.02466	26.0
117.00451	11.1
117.35089	5.3
119.03521	24.8
143.03519	5.8
161.04562	14.8
161.57359	5.1
174.87915	5.4
179.05664	22.6
201.02577	6.5
321.08310	5.7
321.11606	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35661	2.4
57.03434	3.2
59.01377	17.9
60.69777	2.1
65.05826	2.0
69.41107	8.1
69.41517	6.2
71.01386	28.0
76.66296	1.9
85.02951	31.3
85.03424	3.4
88.13322	2.0
89.02457	4.3
93.03443	2.8
98.02065	2.1
99.00906	3.3
99.04572	2.9
101.00953	3.9
101.02463	5.4
109.02950	2.5
113.02457	100.0
114.02760	2.7
114.56719	2.3
117.00467	7.7
134.61147	2.0
137.02484	5.4
139.04041	2.9
141.00426	3.0
155.03522	7.8
161.04524	5.5
167.03438	3.0
201.02559	2.3
224.02524	1.9
235.08238	3.1
321.08286	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	321.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01721	1.8
70.62482	2.2
71.01384	4.4
89.02464	2.6
97.06599	2.7
99.04530	50.3
100.04853	1.4
101.02460	3.4
101.52842	1.0
113.02456	2.2
159.06647	4.2
161.04588	2.6
205.38319	0.9
215.96631	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19314	1.4
52.83393	1.8
59.01365	2.1
65.03986	1.7
75.00867	5.8
77.33955	1.5
80.02685	4.6
81.03441	3.6
85.76721	1.6
87.30270	1.7
98.21778	5.7
104.08840	1.6
108.02176	41.3
109.03001	2.2
109.06596	24.1
122.03732	2.9
133.02956	2.2
136.01674	24.2
137.06094	100.0
138.06421	4.9
151.03987	8.0
152.62668	1.9
159.04495	2.3
169.08699	13.1
172.05307	2.2
173.06125	2.2
200.04756	4.6
201.09251	3.5
213.05582	2.3
213.09273	2.9
229.08694	5.0
230.09486	15.3
245.11801	6.2
260.06909	2.2
289.10730	12.1
321.13461	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06369	0.5
55.01878	1.2
57.03439	1.0
58.00586	2.1
59.01384	43.7
71.00793	0.8
71.01388	29.3
72.99319	3.0
73.02946	2.4
79.95763	0.6
83.01386	2.9
85.02958	6.5
87.00881	1.6
87.04533	0.6
89.02456	21.5
95.01398	2.1
96.96014	1.2
99.00888	0.8
99.08167	1.1
101.02454	18.8
113.02460	9.4
113.09705	1.1
114.02760	0.5
119.03512	9.5
123.04530	4.9
131.03474	0.7
141.09239	11.2
142.09544	0.6
159.10277	15.3
161.04582	0.8
174.05582	0.8
175.04024	0.5
257.05698	1.4
288.46054	0.6
289.08334	0.8
303.14157	0.9
321.15555	100.0
322.15967	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	321.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83029	0.9
59.01389	100.0
60.01720	1.3
61.34722	0.8
71.01385	5.9
71.28478	1.3
74.82424	1.0
74.82893	0.9
85.02955	1.6
87.00883	2.1
89.02459	7.7
101.02457	3.5
113.02475	2.8
115.00367	2.3
119.03533	2.6
119.05021	3.2
122.46644	1.2
131.04990	1.0
136.07668	1.2
145.02969	2.0
163.04021	1.5
165.05540	1.2
175.02493	4.6
184.71207	1.1
191.11130	1.1
203.07137	2.1
217.05058	1.0
236.15457	1.2
260.05038	1.1
291.05225	1.1
321.06235	2.1
321.15347	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46530	0.5
55.01875	1.3
57.03457	1.3
58.00600	2.9
58.95152	0.5
59.01382	54.3
60.01711	0.7
69.34354	4.6
71.01387	30.8
71.64711	0.5
71.95354	0.6
72.01684	1.1
72.99299	3.5
73.02931	2.0
75.00856	0.5
76.51599	0.6
80.96519	0.8
81.21992	0.5
81.74880	0.6
83.01392	2.9
85.02955	7.7
87.00877	1.4
89.02451	31.0
95.01379	2.5
99.00882	0.9
101.02450	20.3
113.02455	12.3
113.09720	1.3
119.03511	14.2
120.99680	1.5
123.04540	13.9
130.80406	0.7
141.09230	13.9
143.03499	0.6
149.04504	0.6
159.10269	10.0
179.05615	0.8
208.26233	0.6
220.12117	0.5
285.09665	1.3
321.15543	100.0
322.15970	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	321.171
Annotation	alpha-Zearalanol
Peak:m/z	Relative Intensity
57.03445	6.4
59.01379	9.9
69.03468	3.4
70.28705	10.1
71.05031	14.7
73.02958	4.4
80.02699	4.7
81.03460	13.4
83.05030	4.8
89.17796	3.1
93.03484	10.2
95.05041	75.0
97.03049	3.1
97.06602	13.3
103.73460	3.2
107.05046	15.1
109.06615	19.7
111.04543	9.9
121.02988	11.8
121.06575	6.9
123.04564	7.9
123.08150	7.8
125.09732	66.3
126.10081	6.7
126.44151	3.5
135.04538	10.5
136.05299	4.2
137.06129	6.6
137.09756	4.7
147.04474	3.0
149.06100	8.1
151.07658	100.0
152.07903	4.6
154.67137	3.1
165.05553	25.6
165.63824	3.6
167.07167	11.0
167.10831	5.0
171.10312	15.9
178.94272	3.1
183.10231	3.3
185.11897	22.4
199.13535	3.4
205.12302	6.7
223.13368	11.1
237.11330	5.6
239.13005	7.9
247.13437	4.3
255.09973	3.7
263.12924	4.4
265.14407	35.0
266.14996	5.6
289.18231	4.1
303.16122	14.9
321.17068	63.5
321.20740	14.2
322.17407	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	321.2072
Annotation	Rapanone
Peak:m/z	Relative Intensity
51.29939	0.7
54.19035	0.7
57.20738	0.8
59.01384	100.0
60.01696	1.6
61.45149	0.8
65.87495	0.7
69.32046	3.1
69.32467	3.1
72.10365	0.8
103.04017	2.2
105.00330	0.8
202.36322	0.8
220.73984	0.9
277.18008	1.3
284.95599	0.9
321.20731	49.4
322.21240	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	321.2437
Annotation	15(S)-HETrE
Peak:m/z	Relative Intensity
53.31071	1.5
54.01558	1.3
56.84282	1.4
57.69281	1.3
59.01371	6.5
78.95901	5.7
80.96516	2.4
113.09728	3.7
149.31165	1.5
218.74744	1.5
220.69861	1.4
221.15483	57.1
222.15877	2.5
223.17101	8.4
228.80029	1.9
251.16559	9.0
259.24451	3.2
284.16333	3.6
303.23309	63.5
304.23706	7.1
321.24362	100.0
322.24652	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	322.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	1.0
59.01388	80.3
69.64168	4.0
71.01395	22.3
72.00916	26.7
72.87281	0.8
72.99328	1.9
73.02957	1.1
83.01410	1.3
85.02962	4.5
87.00874	1.0
89.02457	24.6
91.05540	1.4
95.01401	2.0
99.00878	1.4
101.02456	16.0
102.02772	0.8
103.05534	1.6
113.02464	10.0
119.03520	12.2
140.23657	0.7
141.98285	5.7
143.03458	0.9
147.04541	65.8
148.04900	3.0
159.03114	0.7
160.04062	15.3
161.04568	2.8
164.07185	100.0
165.07594	4.5
174.99310	1.4
179.05661	2.5
187.98790	7.6
202.97426	0.9
229.99881	1.8
241.93608	0.7
263.11435	1.5
268.49692	0.9
279.99170	0.7
307.89551	0.7
322.06125	75.8
323.06821	5.1
323.13504	32.2
323.17407	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0934
Annotation	Indole-3-carboxylic acid beta-D-glucopyranosyl ester
Peak:m/z	Relative Intensity
51.44995	0.8
53.70499	0.9
55.01875	1.1
57.03433	1.2
58.00597	5.2
59.01382	100.0
62.93419	0.9
71.01387	48.8
71.31346	1.0
71.31693	1.7
72.99313	4.5
73.02949	2.2
83.01392	2.9
85.02956	9.3
87.00887	3.5
89.02451	52.1
95.01416	4.1
98.75455	0.9
101.02451	24.2
102.02782	0.9
111.00946	1.1
113.02459	19.4
116.05074	36.8
119.03506	21.8
131.03539	1.5
143.03503	3.0
144.04575	2.0
149.04526	1.1
156.03334	1.0
160.04059	56.3
161.02501	1.4
161.04457	4.5
179.05592	4.9
202.05119	24.9
203.05365	1.0
224.22577	0.9
232.06152	3.3
262.07217	34.4
263.07629	2.2
322.09351	42.3
322.15906	4.7
323.09512	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01714	0.8
69.49133	4.4
71.01389	10.7
75.39367	0.6
79.27593	0.6
83.01402	1.0
85.02971	2.7
89.02449	10.6
95.01397	0.9
99.00892	0.7
101.02458	4.8
105.03078	0.7
113.02419	4.1
119.03508	4.0
136.33105	0.6
143.03487	0.9
161.04584	3.8
179.05724	1.4
188.34622	0.6
196.50177	0.7
263.11456	1.3
323.13513	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74009	1.2
58.00585	3.6
59.01384	100.0
62.36190	1.0
63.59954	1.0
68.10043	0.9
69.17028	0.9
70.93391	2.1
71.01388	39.7
72.99304	3.5
73.02920	2.1
76.24583	1.0
83.01405	2.1
85.02954	9.4
87.00892	2.6
89.02451	55.5
90.02787	1.3
95.01380	2.6
101.02454	28.0
113.02448	19.3
119.03518	24.6
123.91164	1.0
131.03476	2.0
143.03493	3.1
149.04594	1.5
161.04546	3.2
179.05609	4.2
187.48328	1.1
215.04248	1.1
323.13470	83.1
324.13745	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	323.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10864	1.0
58.00567	1.2
59.01382	100.0
60.01702	1.3
65.74805	1.0
69.09544	8.3
69.09953	1.9
71.01377	7.3
73.02915	1.6
82.98928	1.2
85.02955	2.5
86.03728	1.0
87.00909	1.6
88.93398	1.1
89.02467	5.9
92.92842	1.1
93.03450	1.2
93.48951	1.2
95.01417	1.2
96.96054	1.6
99.00879	1.3
101.02435	5.2
101.06085	47.2
102.06422	1.3
111.04469	1.1
113.02441	3.8
119.03478	3.5
144.04550	1.6
161.02414	2.7
161.04567	3.1
175.07936	2.0
179.03496	1.7
183.10272	3.8
200.59814	1.1
217.09055	2.4
233.04463	1.3
235.10086	3.3
323.08374	1.7
323.11429	6.0
324.10959	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	323.135
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00580	3.1
59.01385	100.0
62.19616	0.9
65.97772	0.8
71.01388	45.7
71.08810	1.4
72.99295	2.7
76.39984	1.0
83.01385	2.0
85.02956	7.4
87.00848	1.2
89.02451	55.3
95.01403	4.5
101.02452	27.8
113.02453	18.5
119.03519	23.7
131.03479	1.7
143.03494	2.3
149.04590	1.4
161.04579	1.9
179.05609	3.4
188.32927	0.9
276.45227	1.1
323.13489	66.9
324.13654	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	323.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91353	1.8
51.22922	1.6
53.51130	1.4
57.03444	3.8
59.01384	26.2
59.80964	1.7
69.03464	2.5
69.88492	7.5
71.01366	1.7
76.83640	1.6
85.02965	2.4
89.02448	3.4
95.01399	2.9
96.02215	3.8
97.06632	2.0
101.02480	1.9
106.04252	17.1
107.05071	8.6
108.02210	3.1
109.02950	2.3
109.06628	2.7
111.70845	1.7
113.02418	2.2
121.02981	2.2
123.08177	3.5
125.06075	13.1
125.09724	7.7
126.45267	1.7
133.02968	3.9
135.08179	48.1
136.08504	3.1
137.06094	27.5
137.07050	2.7
137.09689	1.9
161.06134	5.0
183.10359	2.5
185.10194	3.5
185.11830	49.4
185.13448	3.1
186.12186	4.5
197.11867	10.3
216.69847	1.9
232.14786	3.0
287.16568	13.4
305.17581	100.0
306.17853	9.2
323.18652	39.0
324.18945	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	323.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05940	3.5
57.03450	13.8
59.01383	50.3
59.87393	3.5
60.95475	4.2
67.01901	3.7
69.03448	7.3
70.94517	5.9
70.94855	4.2
71.05030	20.3
72.41869	3.6
73.02958	4.1
81.03471	16.6
81.38681	3.5
83.01382	22.7
83.05032	18.1
84.02199	8.6
85.02966	6.0
85.06602	4.9
86.54958	3.2
87.04565	4.8
89.83866	3.9
93.03482	5.1
95.05039	62.3
96.05358	3.9
96.96033	7.1
97.02931	6.1
97.06609	26.0
99.04508	5.7
109.06616	9.1
111.04565	4.0
113.06084	23.1
123.04537	14.0
123.08187	8.2
125.06110	6.0
125.09747	34.2
135.08142	26.3
153.09219	9.1
163.11304	13.1
165.09375	3.7
167.10759	4.0
181.12305	6.8
185.11853	35.5
189.12819	5.4
191.10756	6.8
191.14435	3.5
193.12173	4.2
197.11879	4.8
203.14406	9.7
207.10280	4.5
209.11841	100.0
210.12172	8.6
211.13435	5.7
223.13449	4.7
237.14993	8.9
243.17542	12.8
247.13449	9.8
249.15089	6.2
265.14481	35.1
287.16568	10.4
293.01004	3.8
305.17630	37.1
323.15060	9.4
323.18631	93.2
324.19330	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1864
Annotation	Hynapene A
Peak:m/z	Relative Intensity
52.24325	3.4
57.03446	14.8
59.01386	41.1
69.03464	5.2
71.01375	6.2
71.05029	42.3
81.03457	18.9
83.01394	16.1
83.05040	36.8
84.02186	26.9
85.06599	8.4
89.02471	3.6
93.03452	9.4
95.05040	98.2
96.05369	4.1
97.02943	7.0
97.06591	20.2
98.21718	9.1
106.04265	6.2
107.05035	3.7
109.03027	4.8
109.06586	13.0
110.03733	4.5
111.04537	9.6
113.06097	100.0
121.06623	5.4
123.04542	10.0
123.08186	6.7
125.06084	8.8
125.09731	26.7
135.08177	27.5
147.08238	3.9
151.07623	4.6
153.96574	3.7
161.30406	3.7
163.11298	10.8
165.09180	4.3
165.12860	7.3
171.10272	20.2
177.12898	5.7
185.11856	18.2
191.10793	4.7
203.14371	4.6
209.11853	85.2
210.12166	6.6
211.13458	7.2
228.80113	5.7
231.13885	16.9
235.13445	3.9
237.14960	38.5
238.15543	4.7
241.57162	3.9
243.17456	7.2
247.13330	9.0
249.14928	8.8
261.18735	5.4
265.14471	17.9
287.16553	34.0
305.17676	47.2
320.85117	4.1
323.18661	55.6
324.18942	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	323.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49905	2.3
59.01379	15.2
64.41469	2.2
69.08108	22.5
75.58163	2.2
80.02679	4.3
83.05030	6.2
95.05017	3.5
97.02944	4.3
97.06595	46.9
105.97827	2.6
109.06593	34.4
119.05024	3.0
121.02959	2.6
123.08175	6.1
125.09741	53.2
132.98204	2.4
135.08191	23.7
161.06085	31.1
163.11288	6.9
171.10257	3.8
181.12373	5.9
189.10402	2.6
189.12796	3.2
207.10248	20.1
209.11859	4.0
225.11287	19.8
243.17514	5.9
261.18558	3.0
269.15268	3.4
277.18146	5.6
279.16016	65.6
280.16415	5.8
287.16501	17.9
295.19336	3.0
305.17603	100.0
306.17987	9.3
323.18631	8.8
323.22104	3.1
335.16089	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	323.223
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
51.97498	0.7
52.26356	0.8
59.01394	6.4
70.57984	0.7
71.01386	1.1
96.95991	1.2
113.02550	0.9
123.04501	0.7
139.03995	1.1
165.09262	1.2
165.12883	1.6
189.12933	1.3
242.40778	0.8
261.22263	3.6
279.23221	1.0
287.20047	0.8
305.21249	100.0
306.21570	10.1
323.18732	1.5
323.22321	21.4
324.22385	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2227
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
58.27038	0.5
59.01371	1.3
69.00355	4.2
69.00770	1.1
70.43494	0.4
70.97202	0.4
121.02966	0.6
123.04545	1.2
137.06070	1.2
137.09695	0.5
139.03963	0.6
156.04330	0.6
163.11086	0.5
165.09212	2.1
165.12830	2.5
173.75179	0.5
189.12924	0.6
191.14362	0.7
207.14052	0.6
225.14856	0.5
235.13248	0.6
261.22269	3.5
262.22629	0.6
279.23230	1.0
305.21231	100.0
306.21579	10.1
323.22281	20.1
324.22562	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	325.093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92353	0.5
59.01378	2.6
62.55438	0.5
67.16817	0.5
70.64455	1.4
71.01363	1.0
82.50194	0.6
85.03001	0.6
89.02445	1.5
93.01770	0.6
93.03458	0.9
113.02455	1.3
117.03439	3.2
119.05037	100.0
120.05357	3.8
123.61381	0.5
141.62953	0.6
145.02966	13.9
146.03317	0.9
159.04558	0.7
161.06068	1.6
163.04022	69.4
164.04391	2.3
187.04025	5.7
265.07095	0.6
349.75970	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0931
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
51.39069	0.3
52.82634	0.3
65.52213	0.3
69.38831	2.0
91.05537	0.4
93.03466	0.5
98.21698	0.4
117.03490	0.4
119.05035	100.0
120.05377	4.7
129.86525	0.3
163.04016	60.0
164.04376	2.9
224.66380	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.093
Annotation	MEGxp0_000552
Peak:m/z	Relative Intensity
58.00048	0.8
59.01384	17.4
62.76417	0.7
69.00172	8.8
69.00517	1.4
70.96424	0.8
71.01392	9.1
82.05013	0.7
83.01434	0.9
85.02951	1.9
89.02451	7.6
93.03429	1.0
95.01402	1.2
99.07455	0.8
101.02445	2.8
113.02481	6.9
117.03474	22.6
118.03773	0.8
119.03606	1.4
119.05038	28.1
120.05386	1.7
130.04254	1.4
131.05049	2.1
132.05809	1.0
133.06621	2.3
145.02965	100.0
146.03331	5.3
158.03795	1.7
159.04543	7.0
161.06058	7.2
163.04031	22.5
173.06116	2.7
177.05626	1.6
187.04016	41.7
188.04381	2.2
205.05060	6.1
217.05075	3.2
227.69646	0.8
235.06139	2.8
257.10443	0.8
265.07126	4.0
307.08337	1.0
325.09436	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25389	0.3
58.00602	0.7
59.01388	15.8
68.47666	0.4
68.98444	2.2
68.98856	1.8
71.01024	0.6
71.01390	8.1
72.01714	0.4
72.99327	0.6
73.02944	0.9
75.00843	0.4
83.01400	0.4
85.02976	2.3
89.02458	6.7
93.03465	0.9
95.01396	1.1
96.26951	0.3
98.22542	0.7
101.02470	3.3
113.02470	6.2
117.03484	25.3
118.03806	0.8
119.03557	1.6
119.05041	28.5
120.05396	0.9
121.02923	0.4
130.04262	1.2
131.05042	2.2
132.05841	1.3
133.06616	3.5
140.49083	0.4
143.05063	0.5
145.02972	100.0
145.06618	1.7
146.03290	4.1
158.03751	1.8
159.04520	7.2
160.04877	0.4
161.04764	0.6
161.06105	6.7
163.04030	23.3
164.04449	0.7
173.06067	2.2
175.04012	0.6
177.05617	1.9
187.04030	36.0
188.04317	1.7
191.07132	1.4
203.07167	1.3
205.05075	6.1
217.05086	3.1
229.05164	0.5
235.06189	2.5
265.07144	3.9
307.08240	1.0
309.06039	0.3
325.09296	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	325.093
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
51.23272	0.6
59.01385	1.0
69.09644	2.7
69.10062	3.0
71.01363	1.1
83.04510	0.5
117.03479	1.5
119.05035	100.0
120.05351	3.4
145.02979	6.9
161.06174	0.9
163.04016	78.4
164.04372	4.2
187.03984	3.3
203.04451	0.6
332.96982	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07616	0.4
54.79687	0.5
58.00576	0.7
58.61772	0.4
59.01384	16.9
69.22123	3.1
71.01393	10.0
72.99326	0.8
73.02960	0.6
83.01385	0.7
85.02959	3.3
87.00885	0.5
89.02451	6.1
93.03464	1.8
95.01382	1.1
101.02445	3.2
109.72619	0.4
111.00854	0.4
111.38630	0.4
113.02457	6.7
114.02827	0.5
117.03481	25.7
118.03799	0.7
119.03548	1.9
119.05042	30.6
120.05359	1.4
121.02950	0.5
130.04262	1.2
131.05063	2.3
132.05820	1.3
133.06633	3.9
138.27145	0.4
145.02968	100.0
145.06628	1.7
146.03310	5.0
149.65276	0.4
158.03760	1.8
158.31882	0.4
159.04541	8.8
161.06091	8.0
163.04027	22.3
164.04378	1.0
173.06129	2.5
175.03992	0.7
177.05603	1.8
187.04021	39.8
188.04321	2.3
191.07152	1.2
201.05626	0.5
203.07126	0.9
205.05055	6.3
217.05043	2.9
223.07669	0.9
229.05052	1.0
235.06047	2.1
237.09196	0.7
265.07162	4.3
265.09796	0.5
266.07434	0.5
307.08270	1.0
325.09286	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	325.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	0.8
59.01387	18.1
69.08883	6.1
70.85477	0.6
71.01389	9.0
71.66371	0.5
72.99287	0.9
73.02960	1.0
73.83962	0.6
85.02975	3.6
89.02462	7.2
93.03481	1.4
95.01385	1.4
101.02457	4.4
113.02462	6.2
117.03479	25.0
117.04301	1.5
118.03842	0.9
119.03608	1.4
119.05039	28.4
120.05384	1.2
121.03006	1.1
126.86156	0.7
130.04202	0.8
131.05074	2.2
132.05788	1.4
133.06598	3.9
145.02972	100.0
146.03302	3.9
147.04564	0.7
158.03783	1.5
159.04532	7.7
161.06082	7.1
162.03252	0.7
163.04027	23.9
164.04417	1.2
173.06091	2.5
177.05614	3.0
187.04022	35.2
188.04398	1.9
191.07095	1.2
205.05084	6.9
215.69778	0.7
217.05058	2.3
225.76102	0.7
235.06190	2.3
265.07156	4.2
266.06967	1.3
307.07968	1.5
321.90472	0.7
325.09009	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0932
Annotation	MEGxp0_000552
Peak:m/z	Relative Intensity
58.00589	0.6
59.01387	17.5
69.71355	0.7
71.01385	9.3
72.88097	0.6
72.99284	0.7
85.02967	3.1
89.02458	6.6
93.03451	1.0
95.01386	0.8
95.67097	0.6
101.02470	2.9
113.02456	6.6
116.73754	0.7
117.03478	23.0
118.03810	0.9
119.03590	1.3
119.05040	28.9
120.05385	0.9
131.04959	1.4
132.05786	1.0
133.06647	3.2
145.02968	100.0
146.03264	3.6
158.03773	1.5
159.04523	8.1
161.06102	8.2
162.69029	0.6
163.04034	23.0
163.05414	1.1
164.04407	0.7
173.06087	2.3
177.05592	2.1
187.04019	38.2
188.04356	0.9
190.13344	0.6
191.07207	1.2
205.05066	6.6
217.05067	1.4
229.05084	0.8
235.06049	1.8
240.73741	0.6
265.07059	4.1
307.08591	0.7
325.09384	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	325.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14427	0.5
53.57244	0.6
59.01090	0.8
59.01384	16.3
59.16065	0.6
68.82612	0.5
69.27637	4.3
71.01385	7.9
72.99291	0.8
85.02960	3.0
89.02447	7.5
93.03457	1.1
95.01381	1.3
97.98138	0.6
101.02447	4.0
101.36235	0.5
110.39497	0.5
113.02461	6.7
117.03474	24.7
118.03822	0.9
119.03526	2.4
119.05037	29.7
120.05373	1.3
124.82923	0.5
130.04187	0.6
131.05016	1.3
132.05812	1.1
133.06599	3.8
145.02965	100.0
146.03299	5.7
158.03740	1.6
159.04518	8.2
160.04942	0.9
161.04747	0.8
161.06090	6.3
163.04019	23.0
163.05396	1.3
164.04375	1.3
166.51465	0.5
173.06107	2.6
177.05592	2.0
187.04024	39.4
188.04367	2.6
191.07133	1.5
205.05081	6.0
217.05054	2.6
229.05110	0.9
229.15717	0.5
235.06183	2.3
265.07239	4.0
273.39310	0.6
307.08246	1.2
325.09351	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	325.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	18.5
59.01381	19.8
69.03432	4.0
71.01368	13.1
71.05022	7.0
79.59933	3.1
81.03467	6.4
83.05021	14.0
84.02169	7.2
85.02947	5.6
85.06618	5.3
87.04521	3.7
89.02460	3.6
92.96127	3.5
95.05031	13.4
96.96041	3.7
97.02931	6.0
97.06599	17.9
100.84239	3.5
104.95335	3.3
109.06599	14.1
111.04567	5.1
117.03487	19.2
119.05035	17.9
123.08144	7.4
125.09703	11.5
127.07666	14.6
127.11266	3.9
135.08157	4.7
140.72438	2.7
145.02966	68.2
153.09229	12.1
155.10797	2.9
159.04491	4.7
161.06050	4.8
163.03992	14.5
163.11313	5.4
165.12807	4.5
167.10837	7.2
171.10274	31.7
179.74182	3.0
180.69229	2.7
181.12286	5.7
185.11850	13.1
187.04036	28.5
191.14400	5.2
193.12303	6.1
197.11850	24.0
199.13417	5.8
201.11353	17.0
205.05055	4.8
205.16090	3.3
207.10333	4.5
209.11838	60.0
211.13286	19.5
227.12894	5.8
235.13435	4.0
237.14973	84.8
238.15436	5.9
245.19189	7.4
249.14978	13.8
280.41721	3.3
280.44983	3.1
281.21317	4.5
289.18097	60.1
290.18610	4.3
307.19153	60.7
307.22403	5.0
308.19479	8.7
319.58582	3.0
325.16467	6.6
325.20251	100.0
326.20560	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	325.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79441	20.7
59.01377	54.9
71.29866	31.2
80.75655	24.7
97.06561	34.9
105.53290	21.2
119.05042	30.8
125.09731	67.5
127.25412	21.1
145.02957	100.0
160.84254	22.6
163.03987	46.5
163.11212	25.9
187.03983	31.7
207.10146	29.8
209.11795	37.7
282.23016	21.2
289.18207	27.5
307.19034	31.2
325.23917	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70950	0.8
56.31836	0.8
56.46708	0.9
57.03438	2.0
58.00595	1.2
59.01380	5.0
69.03445	1.6
70.37686	2.7
71.01398	6.3
71.05044	1.1
72.02161	1.4
80.02673	1.7
81.03477	1.9
83.05044	6.9
84.02188	4.1
85.02977	1.1
95.05030	2.0
95.84257	0.9
97.06595	1.6
99.08188	3.8
103.35121	1.1
109.06604	2.6
111.08183	1.0
115.07674	2.7
117.03484	4.6
119.05038	3.9
125.06161	1.4
125.09724	2.4
127.07672	14.1
135.08110	1.3
139.07727	2.6
141.12886	1.1
145.02962	14.3
155.10794	2.8
159.04552	1.5
161.06023	1.2
163.04057	4.1
163.11324	6.0
165.12859	2.3
178.10062	2.2
181.12454	1.1
185.11824	13.1
187.04030	5.1
191.10838	2.1
197.09984	1.2
197.11832	19.2
198.43111	0.9
205.04993	1.6
207.10201	1.2
209.11842	100.0
210.12196	6.7
227.12926	3.5
236.10590	1.0
237.11324	1.1
238.12161	5.5
245.19032	1.2
251.16705	1.0
255.12436	1.2
256.13159	2.2
263.20068	1.6
265.07471	1.5
281.21152	1.4
289.18018	5.8
296.03564	0.9
307.19168	69.4
308.19522	7.0
325.20184	26.4
326.20621	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	325.2023
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
57.03443	7.4
59.01391	14.1
63.61592	1.8
69.03448	12.7
70.94644	4.6
71.01392	9.1
71.05029	10.2
72.82361	1.7
81.03455	2.3
83.05018	6.6
85.06596	2.3
87.04528	4.7
95.05047	3.4
97.02960	5.6
97.06592	6.7
107.05061	2.4
109.06605	31.3
111.08185	4.3
117.03454	7.1
119.05019	10.0
123.08135	4.2
127.07710	2.4
132.30768	1.8
145.02962	27.3
145.06526	2.0
147.43222	2.2
148.67473	2.2
149.35065	2.1
151.11327	3.4
153.12802	2.5
159.04524	2.3
163.04019	8.9
169.12325	8.9
171.10287	4.3
181.12329	8.4
183.10231	4.4
183.13876	4.2
185.11832	3.1
187.04001	8.4
193.12308	3.4
195.13881	2.8
197.11842	57.8
197.15642	2.1
198.12273	2.3
199.13412	8.3
207.13911	8.0
209.11821	6.1
211.13397	27.8
212.13705	2.9
213.11310	7.4
219.13876	3.2
223.13359	3.7
225.14961	26.3
227.12798	4.2
235.13368	4.3
237.14931	18.8
239.16580	4.1
249.14958	6.0
267.15884	4.4
289.18173	14.2
307.19086	5.7
325.20224	100.0
326.20639	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98854	1.7
57.03450	9.6
59.01382	14.4
67.01892	1.6
69.03455	4.6
71.01374	6.1
71.05041	9.8
80.02667	2.2
83.05029	5.5
85.02937	2.7
85.06612	2.1
87.04486	2.1
93.03452	2.0
95.05058	2.6
96.96018	4.8
97.02966	5.3
97.06611	7.1
101.02477	1.8
104.49716	1.6
109.06605	29.2
111.08130	3.4
113.02439	3.4
117.03477	7.1
119.05031	10.9
123.08186	2.2
125.06101	3.1
125.09752	2.4
127.07672	3.5
145.02971	36.6
146.03372	2.2
153.09233	1.6
153.12831	2.6
159.04523	2.9
161.06094	2.3
163.04028	7.5
164.07262	1.8
165.12952	2.0
167.10774	5.8
169.12361	8.0
179.10767	2.7
181.12335	7.4
183.13855	2.7
187.04034	10.3
189.22485	1.8
193.12335	2.9
195.13976	2.2
197.11848	46.5
199.13449	5.1
201.11305	10.2
209.11810	2.6
211.09868	3.6
211.13406	37.8
212.13850	2.7
213.11421	1.5
227.12883	4.0
235.13374	4.6
237.14972	39.5
238.15253	2.1
249.15019	3.7
267.16144	2.1
276.56662	1.7
289.18088	29.2
307.19244	13.7
325.20242	100.0
326.20584	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	325.2023
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
57.03447	9.7
58.00585	5.7
59.01382	22.7
59.09625	2.7
60.91616	2.4
64.72079	2.0
69.03459	12.3
71.01386	12.8
71.05017	3.5
72.99306	3.0
73.02936	3.5
83.05029	9.9
85.02988	2.3
87.00889	2.7
89.02449	3.5
95.05048	2.5
97.02989	4.3
97.06582	8.1
98.22544	4.2
99.04523	2.7
109.06589	11.2
111.08193	11.0
113.02425	3.4
117.03451	12.2
119.05016	19.0
123.08171	11.1
125.09679	2.7
127.07652	2.8
145.02975	38.9
155.10703	2.7
159.04497	2.7
163.04037	13.3
167.10840	4.9
169.12419	3.6
171.10289	9.8
177.12970	3.1
181.12343	3.7
182.93147	2.3
183.10254	20.3
185.11852	14.3
187.04066	15.4
191.10965	2.8
195.10234	4.3
195.13939	7.5
197.11864	23.2
199.13354	4.2
200.00626	2.4
207.13971	12.8
209.11862	9.7
211.13397	6.3
213.11327	33.6
219.14215	2.6
223.11555	2.5
223.13431	11.5
225.15015	26.2
227.12950	3.8
235.13519	3.2
237.14961	42.8
238.15378	3.3
241.14391	3.1
244.55023	3.1
249.14958	6.4
262.68353	3.4
289.18134	28.7
307.19208	6.9
325.20248	100.0
326.20599	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	325.2174
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
66.45414	1.1
67.50340	0.8
70.53822	1.0
70.74466	1.0
98.21709	2.0
133.98373	1.0
135.36815	1.1
149.09732	90.0
150.10071	4.9
163.11293	100.0
164.11623	4.0
183.01180	6.5
203.79341	1.0
256.64124	1.0
265.25311	2.2
281.24991	1.7
307.26428	1.9
325.18390	12.9
325.21747	94.6
325.27225	7.4
326.21979	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	326.022
Annotation	Unknow
Peak:m/z	Relative Intensity
63.85560	0.5
69.58768	1.1
69.59151	1.2
79.37790	0.5
96.96007	1.0
118.01331	0.5
140.02065	2.9
141.99934	0.7
149.76213	0.4
184.01021	100.0
185.01161	7.9
258.08588	0.5
326.02228	1.3
342.79733	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95418	1.2
59.01388	13.1
60.01704	1.5
61.01810	3.4
69.32133	6.3
69.32542	2.0
71.01384	1.5
96.02815	1.2
107.03635	3.2
115.69559	1.2
119.05016	1.6
124.00720	1.4
134.04739	100.0
135.05090	2.1
146.02438	7.3
146.59346	1.4
162.05591	1.5
266.08951	2.3
326.11121	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	327.218
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33234	0.6
57.03454	5.9
59.01379	1.5
69.03445	0.8
70.56207	1.2
70.56579	1.0
71.01381	3.2
71.05006	2.2
84.02176	1.4
85.02957	14.9
85.06597	2.9
95.05048	1.6
97.02975	1.2
97.06604	5.9
110.03751	0.5
113.06065	0.7
119.04982	0.6
121.02949	1.7
125.06099	1.7
137.09624	0.6
139.11235	0.5
141.09215	2.2
146.89661	0.6
171.10262	2.1
183.13911	23.8
184.14278	1.4
195.13919	1.7
209.11729	0.7
211.13423	8.0
212.13670	0.6
223.17044	2.2
230.09509	0.5
231.57527	0.5
233.15453	1.1
235.13405	1.0
237.18732	0.7
251.16467	4.4
253.14572	1.0
269.17664	2.6
280.92664	0.5
291.19580	3.3
309.20602	1.1
327.21777	100.0
328.22147	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	327.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.2
58.00597	0.8
69.03452	2.2
71.01375	2.3
71.05008	1.5
83.05001	0.9
85.02950	9.6
85.06586	1.3
95.05035	0.9
97.02954	1.4
97.06591	6.4
98.21700	1.3
115.82254	0.9
121.89872	0.6
125.06072	1.9
125.09727	1.3
127.11305	1.6
137.09721	2.4
147.69949	0.7
155.10698	1.1
167.14380	0.8
171.10286	16.9
172.10626	1.0
183.13902	10.9
188.71527	0.8
193.12402	1.1
209.11877	1.2
211.13397	21.4
212.13777	1.2
221.11900	1.8
229.14421	8.4
239.12935	1.4
291.19656	4.1
309.20648	2.2
327.21774	100.0
328.22168	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	327.2179
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03443	2.8
59.01384	0.6
69.03468	2.4
69.03982	6.2
69.04376	1.3
83.05021	1.2
85.02950	10.1
95.05033	1.1
97.02953	1.2
97.06593	4.6
125.09717	2.5
127.11266	2.0
135.77888	0.7
137.09706	2.6
152.24318	0.7
165.12830	1.3
167.14348	1.4
171.10286	21.6
172.10645	1.2
177.12914	0.9
183.13951	4.2
185.11818	2.4
193.12296	1.7
203.10764	1.0
206.99850	0.8
209.11861	1.9
211.13399	24.9
212.13731	1.2
221.11826	3.5
229.14467	15.7
230.14905	1.2
239.12827	3.7
291.19577	4.8
327.21783	100.0
328.22073	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2908
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
58.63435	3.6
59.01386	100.0
70.89807	9.0
73.74301	4.7
138.33360	3.8
177.49606	4.7
182.70515	4.6
214.35431	4.5
215.39714	4.4
327.29050	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1767
Annotation	Gabapentin enacarbil
Peak:m/z	Relative Intensity
55.01878	2.2
55.28074	1.0
55.92761	1.0
57.03453	8.5
59.01386	5.0
62.60175	1.0
64.52143	0.9
68.08804	1.1
69.19456	8.7
71.01367	3.9
71.05015	5.5
72.04548	3.4
73.02945	3.9
75.96932	1.0
83.05002	1.6
84.04538	2.8
85.06591	20.8
86.02488	5.3
86.06117	1.3
89.02442	2.5
93.03458	2.5
94.03819	1.4
94.06651	1.2
95.05022	2.2
97.06612	1.4
99.00890	40.9
99.01546	2.0
100.01229	1.4
100.04050	3.5
101.02439	1.5
102.05611	7.4
106.20476	1.2
109.06612	3.2
110.06126	21.3
111.04529	43.9
111.08158	3.7
111.95806	1.0
112.04057	1.0
112.04897	0.9
112.07683	1.7
113.02425	1.6
113.06091	14.8
114.05634	6.6
114.09248	4.1
115.87396	1.1
119.05029	4.2
120.05368	3.1
122.09739	2.3
126.09280	1.4
127.07684	13.1
128.07178	5.5
129.05600	16.4
130.08748	4.5
131.07141	24.0
140.10818	4.7
144.05367	1.3
147.04529	1.2
148.04924	1.2
152.10789	1.7
153.05550	1.3
154.08746	15.6
156.10298	13.2
163.04010	2.5
164.04393	1.2
170.11855	3.2
171.06633	16.8
172.09795	10.1
174.11365	100.0
175.11789	4.9
192.14027	1.5
195.14795	0.9
196.09737	4.9
199.07913	1.0
214.10864	16.1
215.11197	1.3
222.15038	1.2
228.16061	3.4
236.16571	3.9
266.08948	2.2
284.10080	2.2
328.09082	13.0
328.17670	28.8
329.15527	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0882
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01382	0.8
69.45361	2.3
69.45771	0.9
73.67776	0.5
85.02972	0.8
95.98717	0.5
102.78133	0.5
108.02185	61.9
109.02513	1.5
123.00868	0.6
123.03625	1.2
123.04533	23.2
136.09772	0.5
152.01169	42.9
153.01526	0.6
167.03511	100.0
168.03844	4.1
222.72473	0.5
325.54688	0.5
330.12033	0.8
332.62460	0.6
343.03894	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00697	1.0
59.01398	7.7
69.84607	1.2
70.51540	3.6
71.01390	4.2
76.57732	1.3
81.03463	1.9
85.02940	1.5
87.00867	2.7
89.02445	2.6
101.02444	2.5
108.02186	54.9
109.02971	20.0
111.00900	1.4
113.02477	1.7
119.03444	1.5
123.03624	2.1
123.04538	41.5
125.02458	1.3
151.99959	2.7
152.01169	38.3
153.01959	32.1
167.03508	100.0
168.03850	3.0
170.76945	1.2
328.48566	1.3
329.08890	7.0
330.12051	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	329.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.6
62.00998	2.0
65.73543	1.7
67.71317	1.8
73.98325	2.4
74.99097	2.6
83.05061	2.0
83.60244	1.6
85.01169	20.0
95.57597	1.9
96.96020	1.9
102.98605	1.9
115.02229	26.4
117.03799	5.8
117.97308	2.4
120.99666	56.8
122.00077	1.8
138.75101	1.8
167.09001	5.0
168.03008	2.7
197.10066	100.0
198.10361	8.6
285.11670	33.8
286.11859	3.3
329.10590	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	329.161
Annotation	Schizonepetoside B
Peak:m/z	Relative Intensity
55.01870	1.7
56.94008	0.6
57.03453	7.3
59.01382	4.2
67.01876	0.9
68.99811	1.0
70.10869	1.3
71.01392	6.6
72.99314	3.1
73.02924	0.8
75.00879	47.2
83.01382	2.7
84.02148	0.8
85.02957	32.8
87.00892	2.6
95.01390	5.5
96.81510	0.5
97.02949	1.4
99.00862	1.7
112.01675	1.4
113.02467	12.7
114.02830	0.8
115.00366	1.2
117.01934	1.3
129.01962	1.3
144.03764	0.6
151.11273	0.6
153.12868	1.3
157.01460	1.9
159.04486	0.8
175.02539	0.8
175.04001	0.8
187.04091	0.8
200.04675	0.6
203.21556	0.5
232.03767	0.8
232.07408	2.2
257.08197	0.8
269.13980	1.2
284.09625	0.5
295.73160	0.5
311.15170	3.0
329.16092	100.0
329.23111	2.9
330.16422	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	329.1758
Annotation	Carnosol
Peak:m/z	Relative Intensity
71.29445	0.3
98.21515	0.2
101.14975	0.2
107.50862	0.1
157.23450	0.2
163.12146	0.2
165.61067	0.2
216.07890	0.4
217.08702	3.1
218.09299	0.3
225.18544	0.2
229.08711	2.3
230.09468	2.1
231.10258	2.0
243.10275	7.8
244.10852	1.2
257.11719	0.4
258.12662	0.3
262.08698	0.2
271.09854	0.6
271.13263	0.2
285.11728	0.2
297.14893	1.0
298.12088	0.3
299.12949	4.1
300.13376	0.3
312.13431	0.3
313.14499	2.4
314.15094	2.6
314.42560	0.2
329.17599	100.0
330.17926	10.9
346.14136	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.176
Annotation	Carnosol
Peak:m/z	Relative Intensity
69.33870	2.9
76.63248	0.4
123.08181	0.9
141.51306	0.4
177.09160	0.5
183.10460	0.4
215.07153	0.6
217.08698	1.0
218.05867	0.8
229.08664	1.8
230.09471	3.2
243.10300	0.7
258.08954	0.9
259.17133	0.8
271.13498	2.1
285.14954	2.6
286.15631	1.3
301.18143	2.4
305.84180	0.4
311.16498	1.0
312.54312	0.5
313.14612	1.1
329.17612	100.0
330.17926	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	329.2335
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
50.46135	0.9
57.03432	1.6
71.32058	1.2
83.05033	1.6
85.02936	1.3
85.06636	0.8
93.03503	1.0
97.61680	0.8
99.08173	6.7
125.09771	2.1
127.11321	4.4
129.09239	1.5
139.11282	7.9
167.14461	1.4
171.10265	20.5
183.13866	4.7
191.05611	0.9
193.12370	1.6
203.07060	1.0
209.11884	1.2
211.13406	29.4
212.13748	1.9
229.14421	14.7
232.07416	3.9
282.16614	1.1
307.47534	1.0
329.23352	100.0
330.23749	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	330.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.3
65.99851	0.5
69.34064	0.9
69.34491	0.6
71.01379	0.2
93.03448	0.6
109.02959	0.6
124.01646	0.3
137.02452	3.5
138.03241	6.4
139.03609	0.3
167.02240	2.5
168.03029	100.0
169.03386	3.6
225.09149	0.4
241.08702	0.3
247.51059	0.2
330.08313	16.7
331.08484	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	330.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42816	0.2
57.71243	0.1
59.01378	0.2
59.52876	0.1
64.71098	0.2
65.99847	0.3
71.31766	0.3
93.03440	0.4
94.94874	0.1
109.02953	0.6
110.31405	0.2
136.19403	0.2
137.02464	3.1
138.03244	6.9
139.03601	0.3
167.02249	3.0
168.03027	100.0
169.03391	3.3
225.09196	0.4
241.08752	0.3
287.09369	0.3
330.08313	15.3
331.08499	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	330.1196
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
55.01870	2.1
58.00589	3.1
59.01383	62.7
69.63113	1.2
69.63515	3.8
71.01383	32.4
72.99300	2.7
73.02956	2.5
80.05100	1.0
82.33415	0.8
83.01392	3.2
85.02956	8.4
86.00101	1.2
87.00878	1.3
89.02452	35.3
95.01412	2.4
99.00888	1.4
101.02448	22.9
113.02463	13.8
119.03514	12.8
143.03487	1.7
149.04555	0.9
152.07169	8.6
161.04596	1.8
166.40244	0.8
168.06680	2.2
179.05629	2.0
210.07726	3.8
240.08794	2.8
270.09903	8.8
330.11954	100.0
331.12274	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	330.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25190	0.8
55.01872	1.8
58.00589	2.7
58.14723	0.8
59.01381	59.2
65.65446	0.9
69.63137	4.3
71.01385	31.5
72.99307	2.9
73.02951	2.0
83.01393	3.1
85.02940	6.5
86.00102	0.9
87.00869	1.8
89.02448	29.8
95.01405	3.1
101.02447	23.7
113.02462	15.1
119.03504	13.3
131.03560	1.1
149.04623	0.9
152.07173	8.7
161.04538	1.6
167.35564	0.9
168.06659	3.4
179.05582	1.3
179.65384	0.9
210.07707	5.8
240.08780	2.4
270.09824	6.5
284.21515	0.9
330.11957	100.0
331.12308	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	331.0592
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07705	5.7
59.01380	39.7
64.08887	5.6
70.72560	4.9
71.01378	41.0
71.30901	9.9
85.02987	11.7
87.00890	6.9
89.02457	18.6
93.03460	18.0
97.02950	12.0
97.34592	6.7
101.02455	20.5
107.44831	6.0
113.02477	12.8
118.11940	5.7
119.03503	18.9
119.05014	30.1
125.06060	8.7
138.29637	6.1
143.03513	5.3
143.05017	8.5
145.06618	19.5
149.06192	6.3
163.07649	35.9
169.05089	11.1
173.06134	17.1
191.05531	14.7
191.07146	100.0
221.05020	6.0
230.90105	5.9
235.06117	57.5
252.40039	6.3
264.91046	5.3
268.27872	5.6
329.42969	5.8
331.13947	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	331.094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	8.7
67.96481	1.8
69.74876	10.6
71.01379	4.9
72.00918	5.4
74.02480	5.6
82.06623	2.5
87.29501	2.0
89.02454	4.5
92.05071	40.6
94.03003	2.4
98.22572	2.5
101.02444	4.1
114.05621	36.6
116.05080	38.7
128.05083	2.5
142.06628	4.4
144.04556	9.3
156.06943	5.8
156.08179	55.7
166.06573	5.2
170.09732	4.7
174.05556	2.8
182.09814	4.4
183.09293	11.0
184.06203	3.5
197.10869	8.0
199.12430	15.6
199.48454	2.0
207.09286	3.4
209.43898	2.2
218.44731	2.0
223.08760	2.9
225.10342	49.6
226.10762	3.9
243.08955	3.3
243.11412	59.0
244.11742	4.8
269.09332	100.0
270.09622	8.8
281.11880	2.2
287.10406	25.3
288.10635	3.0
296.11407	19.7
331.09113	3.6
331.13763	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	331.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76520	0.7
55.01850	1.0
57.03444	0.9
58.99601	0.9
59.01375	8.1
71.01386	8.5
73.02939	1.9
73.98309	1.2
79.34671	0.7
85.02952	3.1
86.20228	0.8
87.00884	4.8
87.02706	1.2
87.99900	0.9
89.02464	1.3
89.03044	0.7
98.21789	3.1
99.00926	1.0
101.02428	3.1
102.98582	1.2
113.02434	3.1
116.92866	0.9
120.99663	100.0
133.91632	0.8
135.11826	5.0
145.02879	0.8
147.11819	1.6
150.05714	1.2
158.76407	0.8
161.04544	2.4
166.44745	0.9
169.10576	14.9
170.10931	1.2
179.10825	1.2
181.10555	3.3
199.11601	5.5
200.12016	0.9
209.11835	10.4
213.09656	0.8
225.09535	5.0
229.17598	1.2
235.18680	0.8
238.80432	0.7
243.10606	11.2
264.77521	0.7
296.28613	0.8
299.54755	0.7
308.03510	0.9
331.12216	46.4
332.12546	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	331.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18559	0.7
55.01887	5.8
56.07199	0.7
57.03460	6.1
58.00594	3.3
59.01385	62.1
68.99827	1.5
69.03462	1.2
71.01390	100.0
71.29477	1.3
72.01742	1.1
72.99319	5.0
73.02954	21.9
75.00875	1.8
79.75448	0.8
83.01405	10.1
85.02962	38.8
87.00890	5.4
89.02454	38.7
89.03018	1.1
93.03489	0.9
95.01401	7.8
96.96032	0.9
97.02969	1.7
97.56300	0.7
99.00897	10.6
101.02456	56.7
102.02801	1.2
111.00905	1.0
113.02465	37.9
114.02789	1.3
118.98100	1.7
119.03519	17.7
119.04337	1.0
123.08160	0.8
125.02489	2.0
129.02026	1.0
131.03561	1.6
136.01659	0.8
143.03539	3.4
149.04666	1.0
151.00414	1.2
159.03038	5.5
161.04587	29.7
178.99924	1.0
179.05614	1.1
188.04857	1.2
201.05807	1.3
201.09442	0.7
205.03558	1.6
244.20653	0.7
251.12880	1.1
271.02557	1.4
271.07431	0.8
271.12003	0.9
273.11346	1.2
299.02078	1.6
300.02930	1.4
331.09225	1.7
331.14264	0.8
331.18436	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	331.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60995	0.6
55.01880	9.6
57.03459	8.0
58.00595	2.0
58.46807	0.8
59.01386	52.4
67.76759	0.7
69.03445	2.1
71.01390	100.0
72.01739	1.7
72.99308	4.3
73.02953	37.1
75.00878	2.0
81.22699	0.7
83.01392	15.1
85.02960	48.3
86.00101	1.0
86.03308	1.5
87.00885	4.1
88.94597	0.6
89.02448	8.0
94.14476	0.7
95.01398	6.9
97.02981	2.8
99.00893	16.7
101.02454	73.0
102.02818	1.3
113.02467	42.3
114.02816	1.0
119.03546	1.5
125.02460	2.1
129.01985	1.5
131.03520	0.7
135.03360	0.7
136.93677	0.6
143.03526	4.1
159.03003	10.4
161.04576	46.3
162.04933	1.0
164.03577	3.7
165.09148	0.7
176.03577	1.3
205.03551	0.7
228.87309	0.7
231.31113	0.7
301.12082	0.8
331.13593	1.3
331.17688	10.2
332.17966	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.6
55.01878	7.8
56.64844	0.6
57.03456	6.0
58.00595	2.0
59.01381	40.4
59.68045	0.6
68.99819	1.0
69.03447	1.5
71.01384	100.0
71.05023	0.8
72.01709	1.2
72.99315	3.7
73.02948	30.7
74.04047	0.6
75.00884	1.8
82.71902	0.7
83.01391	12.9
84.02168	0.8
85.02953	48.7
86.03285	1.8
87.00884	3.4
89.02447	8.5
95.01388	7.3
97.02965	2.6
99.00883	13.3
101.02445	64.6
102.02807	0.8
113.02454	40.2
114.02812	1.0
119.03486	1.6
120.99651	2.0
122.89787	0.6
125.02446	2.5
127.29724	0.8
129.01958	2.1
143.03525	3.8
150.05664	0.6
155.21980	0.6
158.34560	0.6
159.02997	9.7
161.04564	41.4
162.04866	1.0
169.12372	1.4
202.08788	0.8
205.03632	1.3
207.08194	2.4
223.07645	0.8
225.09158	3.3
241.08705	1.2
269.08337	1.7
287.09259	4.2
331.08640	3.0
331.11914	0.6
331.13623	0.9
331.17633	10.2
332.07928	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1766
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
55.01876	3.6
55.73973	1.1
57.03444	4.1
58.00599	2.3
59.01386	56.9
69.03439	2.0
69.27329	4.7
69.27750	5.7
71.01391	86.7
72.01698	1.3
72.99314	4.5
73.02948	17.1
75.00879	1.7
83.01399	8.9
85.02966	27.2
87.00904	7.0
89.02457	32.6
94.33104	1.3
95.01400	5.3
99.00890	11.3
101.02458	44.3
113.02466	30.0
117.47857	1.6
119.03525	12.8
120.63911	1.3
125.02443	2.1
132.04565	3.4
136.04066	2.3
138.03227	3.6
139.03584	3.5
139.84488	1.4
143.03519	2.6
143.16588	1.4
150.05609	2.1
159.02997	4.5
160.04085	2.4
161.04584	22.9
168.03058	7.8
168.08174	1.9
169.03400	7.2
184.06342	5.5
184.07706	16.1
185.03616	2.0
187.08720	7.4
197.04883	16.0
198.04330	1.5
199.05101	5.8
199.08752	2.8
201.05960	2.4
211.06612	1.3
211.08804	7.5
212.05602	33.2
212.07423	11.2
213.03223	2.2
213.06659	23.0
214.07156	2.4
219.07690	1.7
226.07538	1.8
227.08279	52.0
228.06795	1.9
228.08795	8.9
240.05360	6.5
244.09761	3.8
255.07779	45.0
256.08124	4.9
287.10419	100.0
288.10745	10.7
299.06659	2.6
331.09351	84.4
331.12698	4.3
331.17725	4.4
332.09641	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	331.1917
Annotation	3,10-Dihydroxy-5,11-dielementhadiene-4,9-dione
Peak:m/z	Relative Intensity
57.22527	0.3
68.99163	3.4
75.49741	0.3
98.21861	0.6
116.13205	0.4
122.07089	0.4
171.35774	0.4
200.77312	0.3
243.10422	0.7
245.08212	1.1
259.09747	8.5
260.10406	2.3
273.11288	0.7
285.73395	0.4
301.14560	0.9
315.15967	3.6
316.16730	2.2
331.19168	100.0
332.19516	10.6
339.78281	0.4
340.45935	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1916
Annotation	PGB3
Peak:m/z	Relative Intensity
51.75544	0.3
59.83215	0.3
67.05526	0.5
70.61881	0.7
83.05047	1.3
109.02891	0.5
112.35431	0.5
119.08702	1.0
119.43764	0.3
120.08104	0.3
135.08171	1.2
136.25098	0.3
137.02466	3.7
140.34059	0.3
144.15633	0.4
152.03728	0.4
152.04788	2.0
156.04320	0.4
163.07681	0.6
164.04779	0.4
165.05586	0.6
166.06297	0.4
167.07147	1.6
170.12610	0.4
179.07159	2.9
191.14397	1.7
193.05162	0.6
203.14438	1.0
205.15941	0.5
207.06639	1.5
207.24376	0.3
207.92984	0.4
208.07443	0.8
219.13896	0.7
245.11870	0.5
247.13429	1.0
259.09787	0.7
259.20676	1.0
273.11319	2.2
285.18414	0.4
287.16644	0.7
287.20255	1.9
288.13712	1.4
303.19623	5.6
304.19992	0.6
313.18124	1.1
316.16754	0.6
331.19168	100.0
332.19501	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	331.2281
Annotation	Tessmannic acid methyl ester
Peak:m/z	Relative Intensity
55.32054	0.7
57.50236	0.6
66.80397	0.6
69.89442	1.5
69.89837	1.0
73.18978	0.7
74.78917	0.6
81.76817	0.6
106.19086	0.6
110.17976	0.6
122.62810	0.6
142.97005	0.7
210.09570	0.7
215.10822	0.7
283.16882	1.0
284.17807	1.6
299.20175	100.0
300.20474	12.2
301.21591	1.0
331.19211	1.2
331.22757	20.8
332.23151	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	332.0779
Annotation	Fumimycin
Peak:m/z	Relative Intensity
59.01382	7.6
62.44892	0.7
68.99792	1.4
69.03443	1.3
69.25954	3.3
69.26387	3.7
70.02921	0.8
71.01380	2.6
80.05053	2.6
83.05017	1.5
84.65475	0.8
85.02991	1.0
89.02442	1.1
93.03500	1.0
94.74271	0.8
98.21780	1.7
101.02422	1.2
101.03232	0.8
104.05064	2.7
104.32404	0.9
105.03496	0.9
106.06635	6.3
109.02943	1.1
111.04494	1.8
113.02426	1.4
120.04544	0.9
120.56206	0.8
121.02957	1.3
122.06110	1.1
128.92464	0.7
130.06636	1.9
131.03810	0.9
132.04567	24.5
132.08168	1.1
133.05173	0.9
134.06123	5.8
137.06085	1.3
144.04579	0.9
145.05359	0.9
146.06140	13.9
148.04015	1.9
150.05600	2.9
155.03488	1.2
156.08174	2.1
158.06085	3.4
158.09735	1.4
159.06903	2.6
160.04051	18.6
160.07668	5.8
161.04770	3.4
165.04321	2.0
168.02930	1.7
169.05272	1.2
170.03494	1.7
172.07753	1.6
173.04836	1.6
173.78731	1.1
174.05608	25.3
174.09219	6.1
175.09468	0.9
176.03499	3.4
182.06093	2.8
184.07678	22.4
185.08069	1.1
186.05641	6.6
187.06342	1.9
188.07176	5.2
198.09239	1.2
200.07187	5.2
200.10771	2.2
201.07545	0.9
202.08746	74.7
203.09109	4.3
204.03001	8.0
210.05569	2.6
213.04338	1.2
213.07889	0.9
214.05019	1.1
214.34691	0.8
216.06648	15.0
216.10271	2.7
226.08766	2.5
228.06682	19.8
228.08871	1.6
229.07172	2.1
244.09830	6.2
246.07697	15.8
252.45024	0.8
256.08136	0.9
260.05634	3.1
270.07794	2.9
272.05658	6.2
288.08618	9.1
290.06729	9.6
291.14581	0.8
304.08218	1.6
314.06723	1.9
332.07748	100.0
333.08060	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	332.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
60.90450	19.6
69.21526	91.1
69.21954	100.0
73.94019	20.7
98.21693	24.2
106.16931	22.6
114.81437	22.6
118.06659	24.1
260.66028	22.4
328.44412	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	333.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15789	1.2
59.01381	12.0
68.99821	13.6
70.50491	3.6
71.01393	9.8
73.02956	1.4
85.02997	3.0
86.00116	2.0
87.00900	2.5
89.02462	5.3
91.61238	1.3
93.03473	4.0
95.95470	1.3
100.01691	1.5
101.02446	5.8
113.02483	4.7
115.88358	1.3
119.03527	2.9
126.99586	43.7
134.03769	1.7
135.04587	1.5
144.04515	2.0
145.04868	2.9
153.05600	2.0
154.79662	1.4
163.03998	2.1
170.98567	100.0
171.98888	2.9
189.28802	1.2
197.02292	2.1
212.99715	2.4
315.81671	1.3
333.03549	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0596
Annotation	sn-Glycero-3-phospho-1-inositol
Peak:m/z	Relative Intensity
50.33888	0.2
56.51085	0.2
59.01377	0.6
61.98829	0.4
62.95699	0.2
62.96419	0.4
69.84173	0.9
78.06631	0.2
78.95909	100.0
93.61000	0.3
96.95998	1.0
96.96969	18.6
108.36457	0.2
136.94060	0.4
139.78558	0.2
149.01350	0.3
150.98041	1.0
152.99599	77.0
153.99930	1.0
171.00656	8.5
171.02113	0.4
178.95152	0.4
223.00160	0.8
241.01199	38.1
242.01569	1.1
248.01187	0.3
259.02280	1.8
289.73715	0.3
333.05933	83.4
333.96204	0.6
334.06326	4.5
342.50800	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.083
Annotation	Chlorpromazine N-oxide
Peak:m/z	Relative Intensity
57.03436	2.0
58.00584	3.8
59.01382	100.0
67.01884	8.4
68.99808	2.3
71.01388	74.5
71.29764	3.3
72.99310	6.9
73.02938	4.3
75.00898	1.5
78.95893	3.7
81.03458	2.0
83.01382	5.4
85.02964	19.4
87.00878	6.0
89.02450	64.7
95.01397	4.2
96.43719	1.4
96.96986	1.6
99.00922	1.9
101.02450	43.0
101.03117	2.3
106.74117	1.6
109.02956	23.6
109.06567	2.6
111.00836	1.8
111.04535	3.0
113.02461	28.4
119.03506	27.8
120.99682	1.8
126.99576	8.1
127.04018	1.6
131.03532	2.6
143.03528	3.5
147.01846	1.4
147.04488	1.5
152.99597	3.0
153.01944	8.2
153.05542	2.6
154.05069	8.6
161.04529	4.1
170.98552	18.4
179.05698	2.5
194.38597	1.6
233.74425	1.7
333.08356	60.0
333.11707	3.1
334.08698	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	333.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	100.0
71.01413	27.5
71.29553	36.9
73.00444	24.9
73.02950	31.3
73.89082	22.3
78.95921	57.3
85.02950	46.7
101.02449	42.1
111.00895	37.1
129.24974	22.6
152.99608	37.7
181.33446	24.3
226.77800	24.6
297.11838	67.6
333.05725	45.9
333.09464	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31403	1.5
59.01384	15.7
65.99872	2.0
66.03487	3.0
66.41939	1.4
68.99834	2.4
71.01381	10.2
71.29188	2.1
83.01460	1.6
85.02962	6.4
87.00896	2.9
89.02448	7.5
94.03014	1.8
95.05071	2.1
96.04570	3.1
97.02954	1.7
99.68797	1.6
101.02460	8.5
104.05090	2.4
108.04559	1.5
113.02483	4.2
119.03546	2.9
120.04559	3.5
120.99702	2.2
122.06127	17.0
123.04572	2.0
132.04475	1.8
135.04547	13.0
135.96185	1.3
138.05626	4.4
148.04077	4.5
150.05576	1.8
153.09166	1.7
160.07788	1.6
161.04724	3.4
162.05536	2.7
162.09198	1.4
166.05136	3.8
171.10280	2.5
172.07710	1.6
175.05157	1.9
187.06403	1.9
199.06357	2.1
202.08762	14.0
202.12424	1.8
203.04482	1.9
213.06508	2.9
213.08185	2.5
221.75906	1.3
228.10379	24.6
241.06219	4.1
242.07050	5.5
243.11624	2.0
254.03229	2.0
255.07684	3.3
256.08536	17.8
256.91803	1.5
269.05695	3.2
271.10892	100.0
272.11288	8.1
289.11978	12.0
297.08905	13.0
301.08411	4.5
315.10001	17.3
333.06641	2.8
333.10928	16.4
333.15475	10.3
333.19189	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	333.138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.0
69.08426	5.0
69.08858	2.6
71.01400	1.1
73.98321	1.7
74.99091	3.3
79.87863	0.8
87.00898	3.7
95.05048	0.7
96.95993	1.4
120.99665	7.1
122.00096	0.7
154.32133	0.8
169.01634	0.6
170.47949	0.7
178.95680	0.7
181.12329	9.4
183.13916	0.7
193.12347	12.8
194.12671	1.2
198.88203	0.7
211.13417	60.4
212.13779	3.2
213.97835	0.8
227.11098	1.9
245.12181	58.9
246.12434	2.6
333.13797	100.0
334.14136	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	333.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.2
59.76477	0.7
65.69596	0.6
70.50214	0.6
73.98331	0.9
74.99097	2.3
87.00887	3.3
104.96553	0.8
120.99679	5.3
124.80595	0.7
125.94013	0.7
128.38741	0.7
149.13373	1.1
167.14484	0.8
170.10782	0.9
181.12360	8.6
183.14142	0.8
193.12370	12.0
194.12625	1.0
199.06010	0.8
211.13416	53.5
212.13722	2.8
227.11133	1.3
229.02037	0.9
245.12195	50.6
246.12482	2.6
255.81662	0.7
333.13809	100.0
334.14194	7.2
340.21289	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.5
57.03440	3.9
58.00591	3.8
59.01384	60.1
68.99155	11.1
71.01388	45.4
72.99315	3.2
73.02949	10.8
74.24125	0.9
83.01395	6.5
83.05043	1.9
83.19904	0.9
85.02963	18.3
86.00121	1.3
87.00893	2.4
89.02452	22.9
95.01381	4.7
98.21712	1.6
99.00883	4.3
101.02454	37.6
107.89661	0.9
113.02455	16.6
119.03504	9.4
119.05025	1.4
131.03569	1.4
143.03516	1.9
153.09242	9.0
159.02969	1.3
161.04631	6.4
164.44728	0.9
171.10330	1.7
224.81940	0.9
241.65637	1.2
289.16620	2.7
296.19971	1.1
333.15588	100.0
334.15833	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	333.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.1
57.03432	2.6
58.00591	3.4
59.01387	62.5
59.33535	0.8
62.54879	1.0
71.01389	46.4
71.28573	1.4
72.99305	3.8
73.02958	10.1
83.01392	7.1
85.02960	17.6
86.00085	1.1
87.00887	2.1
87.67728	0.9
89.02455	23.6
95.01395	2.0
99.00893	4.8
101.02458	36.9
113.02464	16.5
119.03522	7.5
143.03552	1.1
153.09242	11.7
159.02966	1.0
161.04594	4.9
163.04039	1.8
171.10306	3.8
183.21564	0.9
184.36826	0.9
273.17166	1.1
289.16568	3.6
294.36084	1.0
333.15585	100.0
333.19052	4.8
334.15973	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46064	0.7
55.01878	2.0
57.03440	2.3
58.00590	1.9
59.01382	31.2
63.63453	0.6
69.16909	5.9
71.01385	27.5
72.82408	0.7
72.99317	2.8
73.02953	3.4
74.02464	0.8
83.01403	3.8
85.02960	7.6
85.18107	0.8
87.00861	0.8
89.02444	12.6
95.01398	1.5
95.05017	1.2
99.00913	1.0
101.02457	13.7
111.08197	1.2
113.02451	6.5
119.03532	5.4
119.05014	1.1
122.06146	1.2
125.09765	1.2
135.04475	0.9
145.02962	0.8
147.60635	0.7
153.09196	6.1
161.04564	1.3
167.10542	0.7
171.10263	8.8
214.40506	0.9
229.97972	0.8
245.12950	0.9
302.60983	0.7
315.14569	2.1
333.15561	100.0
334.15881	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	334.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.8
57.03453	3.8
59.01384	39.9
63.18542	0.5
64.63820	0.6
67.41912	0.5
69.03443	0.5
69.24517	0.7
71.01388	26.1
71.27518	1.1
71.57596	0.5
72.99291	0.9
73.02969	0.5
73.61923	0.5
77.07429	0.5
81.03462	1.1
81.89274	0.5
83.01395	1.5
83.05032	2.2
84.00910	1.0
84.02157	0.9
85.02956	30.8
85.65247	0.5
87.00888	8.5
88.02273	0.5
89.02446	4.4
93.03468	3.5
95.01405	2.0
95.05075	0.6
97.02995	0.7
98.18494	0.5
99.00901	2.6
99.04504	1.0
101.02451	3.9
109.02957	4.1
110.02470	0.7
111.00877	1.1
111.04528	5.5
112.01663	0.6
112.04070	0.7
113.02460	100.0
116.42250	0.5
119.03520	3.3
121.02970	1.3
125.02465	0.6
127.04029	1.8
129.05598	9.9
136.04024	0.6
137.02467	3.5
139.04004	1.7
149.02559	0.7
154.05130	0.8
155.03505	7.9
161.04572	1.2
167.03514	2.4
175.04094	0.5
192.95937	0.9
277.98874	0.5
291.10822	3.4
335.09790	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	334.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01688	10.8
61.53957	8.0
68.99810	33.0
69.44926	7.1
69.59990	53.2
71.01389	70.7
71.04970	8.9
72.99304	7.5
73.02940	23.7
73.52127	8.5
73.69433	7.7
75.02246	8.1
77.56544	8.7
83.01383	9.1
83.19817	7.5
85.02949	37.9
89.02452	45.8
91.80926	9.9
92.54331	8.4
101.02434	56.8
105.31866	8.8
111.08115	10.4
113.02441	37.2
119.03516	13.0
146.08211	20.1
155.07137	16.9
161.04535	23.6
161.96014	8.1
189.95415	7.9
201.88080	7.8
276.51422	9.0
317.11209	12.0
335.13129	70.4
335.16992	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	334.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	37.1
60.09731	18.7
61.85243	17.5
67.58015	16.1
69.60543	40.3
69.60947	76.8
71.01382	35.5
72.99302	21.0
73.02936	17.2
73.94599	16.5
85.02962	18.0
87.19370	15.3
90.81841	19.6
110.95177	17.1
113.11828	16.3
133.02974	65.3
134.03773	98.3
135.04529	36.2
137.02484	39.8
140.11032	17.9
175.07663	25.2
177.01953	26.2
178.02744	100.0
187.07660	26.2
191.03462	22.8
203.07047	20.1
220.03795	19.0
231.10397	20.7
232.07437	20.4
233.08150	51.1
247.09787	58.6
334.10828	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	335.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.9
56.38535	2.0
57.03448	4.3
59.01384	97.6
63.41135	2.2
66.91239	2.0
69.03465	2.2
69.66370	9.7
69.66777	4.8
71.01388	30.7
75.47080	2.1
85.02953	25.0
89.02454	24.3
93.03472	2.7
95.01418	3.8
97.02958	4.2
101.02458	9.7
109.02986	2.9
111.04552	4.8
113.02458	100.0
119.03517	8.7
129.05609	39.7
137.02454	14.0
155.03508	8.1
161.04561	3.5
167.03516	5.1
179.05684	7.0
230.13463	2.3
291.10941	10.0
335.09735	6.6
335.13489	5.5
351.09198	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	335.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63145	3.5
57.03443	4.4
59.01384	100.0
71.01382	40.9
71.28855	5.0
73.77699	4.4
85.02946	22.3
87.00879	4.3
89.02448	28.3
93.03468	27.7
97.02980	5.3
101.02457	12.5
109.02950	6.4
111.04540	8.2
113.02461	81.8
119.03512	11.5
129.05577	40.5
137.02467	57.6
138.01926	4.7
155.03499	10.2
161.04602	5.7
175.75925	4.2
179.05609	5.9
180.48692	4.2
189.91797	4.1
291.10950	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	335.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	9.0
59.01380	75.7
66.84653	3.1
70.29791	11.2
71.01385	48.0
73.02937	4.6
85.02959	9.1
89.02452	64.5
89.02965	5.8
101.02449	25.8
106.55520	3.4
111.08167	100.0
112.08556	4.2
113.02456	20.8
117.57808	2.8
119.03513	19.0
155.07146	89.5
156.07533	5.0
161.04620	6.8
179.05579	6.2
183.68315	3.4
187.67117	3.0
248.67941	3.1
335.13449	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	335.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17876	2.7
55.01875	10.6
57.03439	2.8
57.95021	2.4
58.00603	3.1
59.01385	98.3
62.55435	3.1
68.99822	6.2
70.21439	10.7
71.01389	74.6
72.99308	7.8
73.02966	6.6
83.01397	4.7
85.02972	16.8
87.00903	2.8
89.02454	71.0
94.51702	2.9
95.01400	4.2
101.02448	35.9
111.08170	100.0
113.02466	28.9
114.24944	2.4
119.03512	25.1
131.03537	4.1
131.23747	2.5
137.02486	3.8
144.04694	3.6
149.04547	3.5
155.07156	78.6
155.08405	4.6
156.07513	3.8
159.74306	2.4
161.04561	8.2
173.08202	3.9
179.05655	12.9
241.04706	2.9
335.13562	20.2
335.17032	5.6
336.13232	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	335.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85788	0.5
51.93048	0.6
53.58299	0.5
55.01873	1.2
58.00588	1.5
58.75251	0.5
58.99604	4.9
59.01382	37.2
69.43839	1.3
69.44257	2.6
71.01385	20.5
72.99301	2.0
73.02944	2.6
73.03584	0.5
83.01384	2.3
84.01753	0.5
85.02950	3.7
87.00896	1.2
89.02446	15.7
95.01385	1.6
96.96011	0.5
99.00877	0.8
101.02447	13.4
102.98607	10.2
108.02172	0.8
109.02966	3.2
113.02457	6.5
113.79432	0.5
119.03504	5.6
127.05869	1.1
127.11184	0.6
135.04546	1.6
136.01680	7.0
137.02423	1.6
149.02441	1.0
155.10793	12.4
161.04646	7.1
163.03996	0.8
173.11838	6.9
175.03915	0.7
181.07530	0.5
187.02510	1.5
205.03650	4.3
219.02838	0.7
220.03806	0.7
231.05147	0.7
233.08139	2.4
238.04834	1.7
248.07408	0.5
249.06311	1.0
275.04047	1.4
293.05255	8.2
294.05576	0.7
317.15762	0.6
335.06445	3.3
335.17117	100.0
336.06738	0.7
336.17487	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	335.2231
Annotation	13R,14R-Epoxy-15S-hydroxy-5Z,8Z,11Z-eicosatrienoic acid
Peak:m/z	Relative Intensity
57.03445	30.8
57.78818	3.6
58.00570	6.9
59.01389	38.7
59.62238	4.0
69.03455	27.5
69.94205	15.7
73.02941	5.9
83.05033	13.5
89.75890	3.9
93.07123	5.7
95.05035	7.9
97.06608	7.1
99.08186	11.3
100.52716	4.9
109.06563	5.9
113.09743	46.7
119.08688	5.9
121.10259	5.4
125.09769	5.4
127.07670	5.0
129.09198	19.3
133.06384	4.6
135.11705	6.0
139.11310	19.9
147.11821	5.3
153.12798	4.9
161.13362	10.1
173.13396	34.3
175.11310	14.1
177.09322	4.5
179.95685	4.3
189.12791	22.5
191.10774	6.7
191.14412	14.1
193.12360	100.0
194.12665	7.6
205.12320	12.5
207.13910	17.4
217.12303	15.5
223.13460	12.2
235.13518	28.0
255.21271	24.4
258.58691	4.2
273.22186	14.1
317.21255	27.5
335.22299	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.9401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12710	0.5
52.17464	0.5
53.92456	0.5
55.11285	0.5
59.01381	0.8
59.17484	0.5
62.22720	0.5
69.51829	2.7
69.52236	1.1
78.95895	0.5
82.95691	0.5
92.30037	0.5
96.96059	0.6
113.62411	0.6
119.93704	1.0
134.96101	29.2
135.96184	2.3
136.94017	77.7
137.94107	5.1
138.94438	0.7
142.79059	0.5
151.92731	6.6
152.91772	34.6
167.90472	4.5
170.92873	0.7
178.60709	0.6
178.95070	100.0
179.95168	7.0
192.95973	0.7
194.92824	55.7
195.93153	1.5
196.96223	0.9
197.73863	0.5
210.90791	2.4
212.93874	3.5
247.87169	2.2
248.37215	1.3
248.87024	1.8
250.93970	2.2
252.91899	4.2
256.87671	7.6
257.87802	1.3
274.88766	22.6
275.88837	4.6
287.85040	3.5
288.34949	1.3
288.84906	1.3
292.92059	1.0
292.95047	10.4
293.95068	0.7
294.92941	19.8
295.93063	1.1
335.60608	0.6
336.83267	3.2
336.93991	67.8
337.94156	7.7
351.20773	0.6
354.84543	5.2
355.84482	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0932
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
52.92965	0.2
56.38616	0.2
57.03444	0.3
59.01370	1.4
60.99318	0.4
61.41017	0.2
63.28089	0.2
65.03358	0.2
65.62444	0.2
67.01887	1.1
69.03442	0.3
69.48895	1.4
71.01381	1.0
73.02917	0.4
81.03442	0.5
83.05048	0.4
85.02956	8.1
87.00871	2.9
92.42570	0.2
93.03468	7.3
99.04537	0.6
101.02496	0.3
105.49068	0.2
109.02986	0.7
111.04547	1.6
119.05046	2.9
127.04010	1.9
145.02962	0.9
155.03532	0.4
163.04033	2.7
171.02971	0.5
173.04556	3.0
191.05620	100.0
192.05972	3.4
235.00774	0.3
268.39597	0.2
337.09332	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	337.1085
Annotation	(-)-Glyceollin I
Peak:m/z	Relative Intensity
59.01370	1.6
59.67583	0.9
61.85183	1.0
63.94448	2.8
69.46890	7.3
74.99082	1.1
83.05014	1.4
91.36089	0.9
93.03434	1.3
96.95991	3.3
120.99633	1.8
121.02976	1.9
129.32623	1.2
130.08737	1.9
145.02939	1.7
147.04488	1.3
162.03195	1.4
175.05081	2.0
177.05635	5.0
179.08536	1.2
189.07631	2.0
191.05641	2.3
193.06599	1.5
195.08092	2.0
197.97148	1.2
205.06494	1.4
206.07306	3.1
207.08119	4.9
209.06044	1.4
220.61194	1.2
222.06850	3.3
223.07581	4.3
228.69913	1.1
233.06050	1.9
234.06841	4.5
235.04128	2.0
235.07658	13.5
236.07896	1.6
237.05531	4.3
250.06354	2.0
251.07130	12.1
261.05573	1.5
262.06335	2.4
263.07104	6.3
264.07642	1.4
266.09512	4.7
278.05728	4.0
279.06641	87.0
280.06906	8.3
290.05844	2.0
291.06665	38.4
292.07349	11.6
293.08044	4.2
294.09033	10.0
305.08182	4.6
306.05432	2.2
306.08969	27.3
307.06168	100.0
307.09558	8.1
308.06509	9.5
310.34204	1.0
321.07709	17.4
322.04529	1.6
322.08459	57.5
323.08826	6.0
337.10779	61.2
338.11087	6.6
351.92093	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	337.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67390	2.3
57.86318	2.7
59.01385	100.0
59.23196	2.9
71.01385	29.8
71.26105	3.5
71.26447	2.8
71.92110	2.7
72.99304	2.5
75.84385	2.9
85.02951	8.2
87.00901	18.6
88.93260	2.4
89.02449	36.7
97.02985	4.8
99.00894	4.1
101.02447	15.7
113.02464	9.4
119.03506	17.7
139.34668	2.8
179.05550	5.9
195.01630	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	337.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	6.2
59.01378	20.6
61.29525	5.0
61.81588	5.0
67.32527	5.8
69.03457	12.8
71.01392	40.8
79.05529	12.1
81.03471	12.0
83.01404	13.8
83.05043	14.4
85.02946	21.7
85.06091	5.2
93.03457	23.3
95.05035	37.6
97.02971	25.7
97.06590	18.4
99.12450	5.5
107.05055	15.1
108.02181	22.7
109.06599	41.2
111.00879	16.5
111.08269	5.5
118.70911	4.8
120.93974	5.2
121.02962	25.3
121.06596	13.3
122.03749	14.5
123.04549	100.0
123.08190	10.4
125.09734	48.9
131.61649	5.7
133.51970	5.7
135.08218	9.2
136.05290	7.5
137.09650	5.1
142.02733	7.1
149.02440	15.9
149.09871	4.8
150.03311	10.1
162.10489	5.8
163.11313	20.8
165.12776	5.8
177.12921	5.8
181.12300	6.4
185.11893	12.4
195.10339	10.6
202.21652	6.2
203.14479	25.4
207.10330	37.8
209.11797	19.5
219.01077	6.1
219.13919	9.2
221.11794	7.1
225.11319	26.6
229.12344	11.0
231.13948	17.6
237.14937	20.0
247.13408	40.2
248.13667	6.2
249.11476	5.5
257.11981	9.5
265.14505	14.1
275.12872	42.9
293.14020	12.5
337.12955	20.6
337.16794	7.3
337.23804	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	337.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48755	23.0
51.37480	21.5
59.01386	53.3
63.94448	100.0
64.42947	22.6
64.63239	23.2
71.01374	24.6
71.29572	44.4
74.99088	32.8
75.23265	21.7
85.08536	22.8
86.63508	27.9
87.00846	30.6
93.03428	29.8
96.96038	31.1
120.99663	72.0
121.03011	24.3
137.02235	24.8
247.59337	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51395	12.9
59.01384	14.8
63.94461	16.8
74.99104	14.6
93.03467	13.2
96.96005	100.0
98.21786	21.9
101.77722	14.5
117.49636	14.3
120.99652	34.5
123.86694	11.9
147.12495	12.9
165.05545	16.7
185.00864	11.4
267.50922	11.6
273.51300	12.7
275.12787	17.6
279.06439	31.5
280.77902	11.4
291.06772	15.9
306.09280	14.5
307.06158	35.5
322.08408	19.2
337.13641	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.1
56.98077	1.1
57.03459	1.6
57.42249	0.9
58.00588	4.0
59.01385	96.6
60.01724	0.9
63.16835	0.9
69.29951	7.8
71.01386	48.9
72.01723	0.9
72.99304	4.4
73.02955	1.6
83.01402	2.7
85.02953	9.1
87.00865	2.1
89.02451	56.9
92.54076	1.0
94.78619	1.0
95.01392	3.9
99.00869	1.1
101.02457	30.8
102.02785	1.6
110.06067	1.0
113.02460	20.9
113.09756	1.7
114.02734	0.9
119.03513	24.7
120.03805	1.0
131.03535	1.5
143.03485	2.3
149.04510	1.2
161.04565	2.1
161.30005	1.1
179.05652	4.5
191.05673	2.8
337.15067	100.0
338.15445	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	337.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96650	1.0
57.03441	1.5
58.00591	3.8
59.01386	100.0
70.40584	2.5
70.40942	1.2
71.01390	46.4
72.99316	4.3
73.02948	2.5
79.58618	1.0
83.01424	2.1
85.02961	8.9
87.00890	3.6
89.02456	56.0
93.03477	3.7
95.01396	3.6
99.00912	1.0
101.02458	32.4
101.03118	1.8
102.02803	1.3
113.02471	18.4
119.03520	25.3
138.01974	6.2
139.02324	2.2
143.03499	3.2
149.04614	1.1
157.68610	1.0
161.04602	2.5
173.04506	1.7
174.44833	1.0
179.05602	3.9
191.05653	7.5
285.04843	1.1
290.96219	1.0
337.15091	74.5
338.15488	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	337.2387
Annotation	14,15-DHET
Peak:m/z	Relative Intensity
57.02188	2.2
57.03450	9.3
59.01389	13.6
69.03443	4.7
73.02962	4.8
74.83198	2.2
97.06602	2.6
99.08170	3.6
111.08149	14.4
113.09743	13.7
125.09814	2.8
127.11291	3.2
129.09253	6.3
139.11292	8.0
139.23265	2.6
141.09279	3.4
177.12852	4.2
179.14430	3.2
181.12364	9.6
191.14445	3.6
193.12297	5.1
193.16008	7.0
195.13919	100.0
196.14255	4.9
207.13960	15.2
209.15446	48.7
219.13925	25.2
222.48260	3.1
223.13373	7.4
225.14951	38.0
237.14972	98.3
238.15326	6.0
239.16600	2.9
257.22775	7.1
301.21793	11.3
319.22836	53.4
337.23871	67.6
338.24203	7.4
358.97083	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	339.0724
Annotation	AESCULIN
Peak:m/z	Relative Intensity
51.83949	0.2
60.04945	0.2
60.42199	0.2
61.78566	0.2
62.78875	0.2
69.23260	0.3
69.40964	1.4
81.03481	0.6
89.03960	2.0
94.59835	0.2
97.32569	0.2
98.22556	0.2
104.02702	0.3
105.03471	3.7
105.72558	0.2
133.02975	8.8
133.07175	0.2
137.63264	0.2
149.02397	1.1
155.41496	0.3
176.01143	0.7
177.01944	100.0
177.91159	0.2
178.02284	5.3
190.76382	0.3
191.61958	0.3
215.20384	0.2
339.07236	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	339.0724
Annotation	Esculin sesquihydrate 
Peak:m/z	Relative Intensity
59.01394	0.7
69.92510	1.6
71.01394	0.5
77.60860	0.3
78.95918	1.5
79.31141	0.3
93.03490	1.3
105.03496	1.3
108.02183	1.4
116.63123	0.3
116.92862	0.6
120.02177	0.9
121.02981	1.4
123.04544	1.2
132.02202	0.5
133.02972	2.5
148.01711	1.0
149.02496	2.1
176.01167	11.6
177.01945	100.0
178.02301	4.1
192.06168	0.4
193.06186	0.4
335.95151	0.4
339.07190	17.2
340.07544	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	339.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
64.40897	3.8
65.97853	3.9
66.77708	3.9
69.56998	17.5
70.54052	4.1
71.01377	39.7
73.02967	8.8
73.18871	3.8
81.03471	12.7
85.02955	12.8
89.02457	27.3
92.61391	4.4
93.72343	4.0
99.00867	6.1
99.04505	21.4
101.02472	18.3
113.02473	18.0
119.03556	11.8
127.42731	4.3
127.85290	4.1
143.03546	4.8
161.04547	23.0
177.82941	4.2
179.05714	6.9
186.14024	4.1
221.55226	4.5
224.16162	4.5
230.26886	5.1
279.10965	15.5
330.03137	4.4
355.60068	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	339.2329
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
51.48115	0.3
52.58047	0.3
56.88181	0.4
64.14170	0.3
69.58733	0.3
105.29189	0.3
107.05054	0.4
118.10719	0.3
147.08113	0.5
149.12350	0.3
163.11298	100.0
164.11627	5.1
228.74184	0.3
339.23297	61.8
340.23611	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	341.088
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.38990	0.9
55.65542	1.0
59.01383	26.1
70.87790	1.1
70.88107	1.5
71.01393	14.8
71.32111	0.9
72.99307	1.4
85.02950	2.4
89.02456	16.0
89.72275	0.9
90.17588	0.9
93.03476	1.2
95.01445	1.3
101.02453	10.8
107.05053	1.0
109.02944	1.7
110.76344	0.9
113.02463	5.6
119.03511	4.7
132.02238	1.6
133.02975	27.5
134.03738	2.3
135.04541	76.5
136.04855	3.7
149.06062	3.5
161.02469	100.0
162.02811	4.4
173.04581	1.0
175.04033	4.5
177.02080	1.1
177.05608	8.4
179.03523	75.1
179.05505	2.5
180.03831	3.9
189.05612	1.2
195.02124	1.2
203.03531	27.9
204.03975	2.0
221.04564	9.2
233.04535	2.9
251.05574	4.3
281.06662	8.1
317.59100	0.9
341.08258	9.0
342.09106	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	341.088
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
58.00610	1.0
59.01389	27.8
70.78046	1.6
71.01385	16.4
72.97548	0.8
72.99320	1.1
83.01432	0.7
85.02961	3.7
89.02455	14.0
90.42871	0.7
95.01410	1.0
101.02457	7.1
109.02966	3.3
111.00935	0.7
113.02467	6.6
119.03506	5.1
132.02119	0.9
133.02972	30.0
134.03764	1.7
135.04543	37.5
136.04819	1.5
137.02484	1.6
147.04572	1.0
149.06111	3.3
161.02466	100.0
162.02823	4.8
175.04012	5.4
177.05598	6.9
179.03514	35.1
179.05582	3.1
180.03883	1.0
189.05518	1.6
203.03532	29.1
204.03841	1.3
207.06659	1.8
210.10112	0.9
221.04533	6.9
233.04634	4.1
251.05576	5.7
281.06659	7.4
301.33066	0.7
341.08267	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	341.0881
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
52.85184	0.5
52.90550	0.5
57.03447	2.2
59.01381	10.0
63.64604	0.5
69.35107	4.1
71.01385	5.9
72.97539	2.2
72.99326	0.7
81.16982	0.6
85.02964	1.3
89.02441	4.9
93.03478	0.6
98.22520	1.1
101.02464	2.5
107.05018	1.5
109.02946	1.0
113.02466	2.5
115.46564	0.5
119.03500	2.2
121.02948	1.6
128.73067	0.5
131.03516	0.6
133.02969	6.9
134.03769	3.2
135.04538	100.0
136.04852	4.2
137.02428	0.7
146.16119	0.6
149.06099	1.6
159.83862	0.5
161.02452	22.5
161.04576	1.1
162.02765	1.0
175.04030	1.5
177.05618	1.6
179.03513	88.7
179.06883	6.1
180.03888	4.5
180.07378	0.6
203.03525	5.4
221.04591	1.9
233.04468	0.9
251.05666	0.6
281.06656	1.3
341.08459	8.8
341.12683	0.6
342.09030	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.088
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
59.01384	2.3
59.04246	0.6
59.82365	0.4
69.16704	1.4
69.17113	2.3
71.01389	1.0
89.02457	0.7
98.22549	1.0
101.02415	0.5
107.05083	0.7
117.03500	0.5
119.03451	0.7
133.02991	0.7
134.03754	3.1
135.04541	95.3
136.03944	0.6
136.04855	3.7
161.02464	1.2
179.03513	100.0
180.03850	4.6
270.44653	0.5
302.03720	0.5
303.08484	0.4
341.08484	0.9
356.18326	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0881
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
51.21036	0.3
53.34604	0.4
54.62069	0.4
59.01377	4.0
60.50219	0.4
70.14854	0.7
70.15223	1.3
71.01387	3.2
73.02942	1.3
77.57162	0.3
79.05553	0.4
85.02950	0.6
89.02459	2.1
91.05570	0.4
93.03461	0.5
101.02459	2.0
106.04250	0.5
107.05056	1.1
113.02462	1.5
119.03508	1.4
133.02998	1.1
134.03738	3.1
135.04538	100.0
136.04855	4.2
137.02452	1.1
161.02417	2.4
166.02072	0.4
177.05638	0.6
179.03513	91.6
180.03839	4.3
203.03462	0.6
221.04507	0.4
281.06876	0.4
341.08359	3.2
343.73038	0.4
356.22141	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07549	0.4
59.01381	3.8
64.13149	0.4
70.81610	1.0
71.01395	2.5
74.57843	0.4
89.02451	2.4
101.02482	1.1
107.05019	1.2
113.02471	0.7
114.06678	0.4
119.03541	1.3
133.02957	0.9
134.03720	2.3
135.04535	91.0
136.04854	4.4
161.02444	2.1
179.03505	100.0
180.03851	5.3
299.52051	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80870	0.4
55.01892	1.2
57.03460	1.4
58.00600	3.6
59.01385	100.0
60.01718	1.3
70.46339	0.7
70.46743	0.8
71.01389	69.1
72.01730	0.8
72.99309	3.4
73.02943	1.8
83.01414	1.5
85.02958	9.7
87.00886	4.6
88.04206	0.4
89.02454	89.1
90.02748	0.9
95.01411	4.5
97.02956	0.8
99.00894	0.8
101.02453	29.0
102.02827	0.6
113.02463	25.0
114.02787	0.7
119.03516	29.7
120.03854	0.9
125.02502	0.7
131.03508	3.9
143.03523	7.0
149.04544	2.8
161.04565	8.2
179.05623	26.7
180.05978	1.0
275.41449	0.4
341.10904	27.3
342.11273	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	341.109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.7
58.00592	3.4
59.01385	100.0
60.01720	1.1
61.24021	0.8
69.03465	0.9
69.37964	1.6
69.38369	4.2
71.01388	66.0
72.01734	0.9
72.99307	2.7
73.02956	1.6
73.54876	0.8
83.01393	2.5
85.02954	9.3
87.00880	3.2
89.02453	82.5
90.02768	1.3
93.23856	0.8
95.01396	3.2
95.52410	0.7
101.02451	28.7
113.01855	0.7
113.02459	24.2
119.03513	30.1
122.32632	0.8
125.02453	0.8
131.03467	4.5
135.04530	11.7
143.03505	7.0
149.04549	2.9
161.04584	7.6
179.03529	11.7
179.05634	28.9
179.07199	1.9
180.05861	1.3
341.10934	29.2
342.11325	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	341.109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92638	1.3
57.03434	2.2
58.00595	2.6
59.01384	100.0
63.77780	1.2
65.68036	1.4
69.45478	1.3
70.91628	1.7
71.01389	66.5
72.99318	3.1
82.64533	1.2
83.01428	3.0
85.02966	9.6
87.00893	3.9
89.02451	89.4
90.02778	1.7
95.01411	4.8
101.02444	28.1
101.03101	1.5
113.02463	28.6
119.03509	39.5
119.04347	3.0
131.03519	5.0
135.04552	2.8
143.03516	7.2
149.04594	3.2
156.12920	1.4
161.04575	8.4
179.03595	4.0
179.05637	35.1
214.27928	1.5
247.01477	1.6
273.52124	1.3
275.65356	1.5
276.94672	1.5
319.80872	1.5
341.10892	36.8
342.11298	3.7
347.08075	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1092
Annotation	Trehalose
Peak:m/z	Relative Intensity
50.10534	2.3
58.00579	5.0
58.62572	2.5
59.01385	100.0
64.97996	2.8
66.37325	2.4
69.36852	8.5
69.37275	13.4
71.01385	82.6
72.99303	8.2
75.38799	3.2
83.01380	3.1
85.02953	12.6
87.00902	9.9
89.02453	91.7
95.01402	6.1
96.95989	3.5
98.22569	3.0
100.63982	2.7
101.02444	33.1
109.98637	5.1
113.02464	26.5
119.03511	32.3
131.03499	3.8
143.03514	8.1
148.38647	2.6
149.04607	4.8
161.02431	10.7
161.04591	11.4
169.64853	3.1
179.03986	3.7
179.05627	38.3
198.21111	3.0
341.10910	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
57.03445	3.1
58.00593	1.3
59.01385	26.1
61.11586	0.6
62.16577	0.7
69.03459	4.3
69.13241	6.1
71.01388	14.9
71.05029	6.1
72.99314	1.0
73.02975	0.9
75.75780	0.7
81.03463	3.6
83.05035	6.7
85.02962	2.4
87.00883	0.9
89.02451	13.6
91.04024	2.4
95.05047	2.8
96.96040	0.8
97.02963	1.0
97.06593	4.4
99.00904	1.3
101.02457	6.0
105.03482	1.7
106.03780	1.3
107.05041	0.6
109.02972	1.4
109.06592	1.2
111.00906	0.8
111.08186	1.0
113.02448	4.3
116.07204	5.0
119.03521	3.5
119.05000	1.0
121.02987	0.7
121.06602	1.1
123.08167	1.9
128.93855	0.6
131.03557	0.8
132.02209	1.6
133.02975	18.6
134.03252	6.9
135.04559	16.2
136.04866	2.2
137.02489	2.6
138.02821	1.3
139.03987	1.0
141.09216	1.6
143.03513	1.5
148.05348	0.7
149.06073	2.0
149.09731	0.8
151.11330	2.1
153.09178	0.9
161.02464	39.0
161.04639	1.8
162.02789	4.9
163.11267	0.7
171.10306	1.3
175.03961	1.8
176.04837	0.9
177.01958	1.3
177.05621	3.1
177.12819	1.7
178.02617	3.1
179.03479	17.1
179.05562	4.4
179.14436	7.3
180.03824	3.2
185.11867	0.7
187.11357	1.8
189.05475	0.8
195.02586	0.8
203.03505	9.5
204.03874	2.4
205.12366	9.0
207.10336	1.1
209.11865	2.5
221.04533	3.0
222.04889	0.7
223.13416	100.0
224.13763	7.7
225.11313	1.2
233.04495	1.6
249.11346	5.0
251.05614	2.4
252.05922	0.8
267.12375	30.4
268.12735	2.6
281.06613	2.4
282.07147	1.0
305.17679	0.9
341.07788	1.1
341.11218	2.1
341.16064	45.4
341.19559	2.8
342.15857	3.5
342.19421	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	341.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06507	0.4
57.03443	1.0
57.07806	0.4
59.01387	4.7
60.52590	0.3
68.55360	0.4
69.03468	2.6
69.25261	0.3
71.01389	2.4
72.99319	0.4
80.02695	0.5
81.03468	0.8
83.05036	1.8
84.02170	6.0
89.02453	2.6
95.05045	0.9
97.02955	1.5
97.06596	13.9
99.04527	1.9
101.02464	1.0
111.08175	0.4
113.02468	0.8
119.03440	0.6
123.08170	0.4
125.09755	1.8
127.11304	0.5
133.02933	0.7
135.04517	0.9
135.08130	0.6
137.09694	1.5
149.13380	0.6
151.11221	0.9
161.02444	2.5
163.11354	0.5
165.12804	1.0
171.10274	12.5
172.10568	0.6
175.11272	1.3
177.12866	0.6
179.03493	1.6
179.05594	1.2
183.13913	2.5
185.11961	0.7
193.12343	19.1
194.12688	1.4
197.15535	0.6
203.03522	0.8
211.13385	3.7
221.11798	1.3
225.14975	24.8
226.15334	2.0
243.16031	10.1
244.16451	1.0
249.54276	0.4
253.14458	1.3
253.77510	0.4
272.16269	0.4
291.19824	1.9
292.20230	0.4
305.21216	1.1
323.22302	1.2
341.23334	100.0
342.23676	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	341.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.0
60.92032	0.8
62.89738	0.8
69.03450	1.8
70.12170	3.0
71.01384	1.3
79.05525	1.1
83.05027	1.3
84.02186	7.6
84.36832	0.8
89.02438	2.6
94.76546	0.8
95.05058	1.0
97.02956	1.8
97.06602	12.6
99.04527	3.1
119.08675	1.4
125.09737	2.3
137.09766	1.4
161.02502	1.3
171.08810	1.1
171.10292	19.8
183.13963	2.3
193.12355	15.3
211.13437	3.0
225.14996	20.9
226.15341	1.2
243.15988	6.7
253.14409	1.4
291.19797	1.5
341.23346	100.0
342.23697	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	342.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69163	0.4
52.86634	0.6
57.63906	0.4
58.42597	0.4
59.01390	2.3
64.29527	0.4
66.21506	0.4
69.30861	1.5
69.31284	1.6
71.01366	1.3
84.32791	0.4
85.02932	0.7
89.02436	0.6
101.02459	0.7
101.53742	0.5
108.08199	5.0
113.02464	0.9
121.05325	2.2
130.08745	4.0
136.04073	6.8
136.07684	100.0
137.08022	3.2
148.07695	1.5
150.09233	2.2
152.03549	1.1
161.02496	0.9
162.02750	0.7
164.07146	1.4
166.08766	0.6
172.09799	3.3
176.07170	1.3
178.08716	0.5
180.06667	56.5
181.07068	2.7
181.08539	0.5
194.08223	22.0
195.08604	1.1
204.03705	0.5
222.07721	15.1
223.08087	1.1
282.09842	0.8
342.11484	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0825
Annotation	(-)-Usnic acid
Peak:m/z	Relative Intensity
56.72841	1.3
65.54004	1.4
65.64714	1.2
77.41773	1.2
83.01392	83.7
84.01717	1.9
89.10704	1.2
90.14886	1.1
90.69209	1.1
94.56953	1.3
131.05060	1.6
135.58543	1.2
139.04054	1.3
145.06554	1.6
159.04437	1.4
170.36345	1.2
173.05984	1.7
187.03922	1.5
187.07631	2.0
189.05656	6.8
203.07159	2.6
213.05559	3.0
215.03584	6.2
216.04349	2.0
229.04953	7.7
231.06642	49.3
231.08981	2.6
232.06964	3.4
241.05061	2.0
255.06670	4.6
257.04596	8.2
257.08182	1.8
259.06137	49.3
260.06448	3.5
269.04623	4.5
285.03934	2.8
286.04840	2.4
299.09271	9.2
301.07056	5.0
313.03549	39.1
313.07077	2.1
314.03943	4.1
328.05899	96.4
329.06219	9.5
343.08246	100.0
344.08472	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	343.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27944	0.7
57.19429	0.7
58.00582	0.8
59.01384	27.4
70.59126	2.2
71.01392	12.0
72.99318	2.1
73.02937	2.2
83.01382	1.7
85.02948	3.1
87.00900	1.1
88.25795	0.8
89.02448	9.3
92.53625	0.8
93.03466	1.0
95.01425	1.1
96.04571	1.0
99.00836	0.9
100.20249	0.7
101.02477	8.2
108.75642	0.8
109.02973	3.8
109.06643	1.8
113.02465	7.1
117.03459	1.4
119.03664	4.4
119.05041	29.1
121.02965	100.0
122.03297	2.5
123.04491	0.8
133.06633	1.7
134.44470	0.9
135.04547	9.2
136.05186	3.3
137.05112	1.6
137.06087	18.0
145.02945	8.0
146.03265	0.9
150.06801	1.5
151.07613	1.9
161.04749	1.2
161.06004	4.3
162.06844	3.3
163.02733	1.4
163.04024	20.9
163.07614	2.8
164.88208	0.8
167.88748	0.8
179.03471	2.3
179.05612	1.3
180.03886	1.9
180.07974	3.9
181.05096	72.0
181.08630	10.0
182.05389	3.5
187.03970	1.3
191.07121	1.5
205.04970	2.5
221.09514	0.9
223.06105	3.4
235.06117	12.6
265.07178	8.2
343.10428	2.1
344.13568	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	343.1037
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
54.02846	3.1
59.01384	45.7
69.17157	32.3
69.98148	4.3
71.01399	21.2
72.99334	3.5
73.02939	3.8
85.02927	7.2
89.02466	17.7
96.04558	3.8
97.44712	3.3
101.02453	16.6
109.02947	4.1
109.06582	4.5
113.02448	13.7
119.03506	6.3
119.05043	25.8
121.02965	95.4
122.03315	4.6
123.54235	3.2
135.04539	11.9
137.06068	26.4
152.50212	3.3
153.68016	3.1
163.04065	18.1
181.05084	100.0
182.05426	8.2
200.32672	3.6
223.06096	4.4
235.06131	7.6
248.58272	3.7
265.07214	5.9
283.06165	7.6
343.10031	10.1
344.13544	67.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69741	3.2
59.01364	11.6
59.69860	3.6
63.55086	3.2
70.78858	8.1
71.01357	6.6
89.93407	3.7
100.77074	4.1
108.02214	3.6
108.91332	3.0
113.02431	9.2
117.03365	3.4
119.05044	22.7
121.02963	100.0
121.03844	3.2
138.01979	42.0
145.02945	9.9
151.48987	4.7
163.04002	17.8
181.05049	16.2
235.06146	13.7
236.28040	3.6
255.52141	3.6
265.07352	5.3
288.38010	3.6
343.09406	4.3
344.13449	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13367	27.4
55.61840	29.6
59.01371	62.6
68.83595	25.2
70.57887	89.6
71.01386	38.2
85.75095	28.7
89.02431	37.3
101.02470	44.4
118.98076	38.1
121.02953	66.9
130.08508	32.4
132.04842	29.6
135.04507	45.8
138.05594	70.0
167.51880	31.0
179.03554	34.6
181.03888	34.8
202.23253	29.5
300.11188	35.2
342.71118	31.5
344.13443	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	343.14
Annotation	Taxuside
Peak:m/z	Relative Intensity
59.01389	2.3
69.42992	2.6
71.01385	1.6
72.99326	0.5
74.88103	0.4
85.02938	0.5
89.02448	0.9
101.02435	0.6
108.02200	0.9
109.02959	0.7
109.31982	0.4
113.02440	0.5
119.05042	0.7
121.02959	1.3
122.03760	7.8
135.04503	0.6
136.05312	5.0
137.02464	1.3
137.06100	3.0
140.07176	2.7
143.71939	0.4
154.02765	1.1
163.07578	0.6
180.04288	7.2
181.05281	6.2
181.08713	100.0
182.09042	5.8
255.10330	0.6
283.06339	0.6
339.33765	0.4
343.10223	4.6
343.13873	1.3
343.17462	0.5
344.14011	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37434	0.7
59.01364	2.2
59.18886	0.7
69.03429	0.8
70.63040	1.7
83.05050	1.6
85.30571	0.6
85.51039	0.8
97.06554	0.7
99.08166	7.2
101.58628	0.6
121.10247	1.7
125.09760	2.1
127.11292	1.1
131.32672	0.6
137.09712	1.0
161.45332	0.6
165.12927	0.7
171.10295	19.1
193.12354	14.5
194.12534	0.8
195.10387	0.6
197.15361	0.9
211.13414	2.3
212.13626	0.8
215.02811	0.6
225.14995	19.8
226.15340	1.3
243.15996	8.2
246.05324	1.4
289.17923	1.3
293.21271	2.5
343.24924	100.0
344.25284	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	343.2493
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
55.47830	0.7
57.03439	0.8
59.01368	2.4
69.03460	1.9
70.57887	1.6
76.24213	0.8
83.05025	2.1
97.06601	1.4
99.08173	10.9
121.10214	1.9
125.09747	2.0
137.09720	2.5
139.11349	0.9
161.75737	0.8
165.12885	1.2
171.10277	16.0
172.10564	1.0
175.11185	1.3
193.12366	18.2
211.13458	3.8
225.14980	25.1
226.15305	0.9
243.16039	8.2
246.05450	1.3
293.21231	2.1
311.22345	1.3
325.23965	1.9
343.24915	100.0
344.25226	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	344.099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27710	0.5
59.01372	1.9
71.01394	2.3
71.31577	1.0
79.63947	0.5
85.02934	0.6
89.02489	0.7
94.02983	0.5
101.02476	0.7
108.04558	1.7
109.02965	0.8
113.02461	0.6
125.59444	0.5
136.03999	0.5
137.02464	1.4
151.04019	3.6
152.03723	0.6
152.04805	13.8
164.03555	2.2
181.03873	2.1
182.04593	100.0
183.04927	4.9
217.25804	0.5
220.36871	0.5
241.18118	1.3
285.17023	1.3
303.18121	1.3
321.05481	0.5
322.51361	0.5
343.21338	0.5
344.09857	18.6
344.13513	2.1
344.21454	3.6
345.10233	1.7
345.19113	0.9
356.87753	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
57.03453	0.8
57.10335	0.6
58.00588	0.8
59.01387	41.2
69.68935	1.7
69.69344	1.5
70.21130	0.6
71.01390	22.9
72.01753	0.6
72.99324	1.3
73.02948	1.2
78.34808	0.6
80.05068	1.5
83.01414	1.6
85.02964	6.3
87.00888	1.3
89.02457	25.9
91.06265	0.6
95.01398	1.7
96.04568	4.1
101.02459	14.8
102.02854	0.6
113.02458	9.1
119.03522	10.2
119.04968	0.7
121.02953	1.1
131.03505	1.3
134.60727	0.6
134.81305	0.6
139.30139	0.6
143.03476	1.3
157.89267	0.6
161.04596	0.8
166.08716	0.8
179.05627	2.5
182.05368	0.8
182.08192	2.1
326.12540	0.9
344.13522	100.0
345.13904	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	344.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
58.00601	1.2
59.01387	44.4
69.59736	3.4
71.01391	23.3
72.57618	0.6
72.99306	1.3
73.02946	0.9
80.05067	1.4
83.01392	1.3
85.02959	5.3
87.00867	1.0
89.02453	28.9
90.02786	0.7
95.01401	2.5
96.04562	3.8
98.22487	1.3
99.00895	0.9
101.02450	15.6
113.02466	9.6
119.03518	12.4
122.25331	0.7
131.03525	0.9
143.03481	1.5
161.04539	0.7
166.08827	1.0
179.05646	3.2
182.08287	1.9
197.57381	0.7
201.45732	0.6
205.54837	0.6
241.70528	0.7
253.98753	0.7
344.13522	100.0
345.13797	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21683	0.4
55.84620	0.6
57.03446	0.6
58.00586	1.6
59.01385	45.0
68.13087	0.5
69.72223	2.5
71.01385	22.7
72.01702	0.6
72.99304	1.1
73.02943	1.0
73.84819	0.5
80.05058	2.4
83.01385	2.0
85.02953	5.9
85.93874	0.5
87.00859	1.0
89.02452	25.6
95.01377	1.7
96.04556	3.7
96.70639	0.5
98.22437	0.7
101.02449	13.5
113.02454	9.4
113.16128	0.6
119.03504	11.2
143.03513	1.0
149.04585	0.7
161.04572	0.7
166.08748	1.4
179.05611	3.2
182.08156	1.3
239.93822	0.5
326.12384	0.7
342.40543	0.5
344.13501	100.0
345.13782	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	344.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00290	31.1
53.92230	28.9
59.53827	31.4
70.61457	100.0
113.03751	33.4
119.12136	27.8
134.97368	30.4
189.82739	32.5
289.14417	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	345.0593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	31.6
71.01392	22.7
71.29112	5.1
71.29523	4.8
72.99315	3.4
73.69417	3.0
78.63994	3.3
85.02952	9.2
87.00876	100.0
89.02446	16.0
93.03469	3.4
99.00877	16.9
99.04460	3.7
101.02441	21.4
111.00864	6.4
113.02454	19.7
119.03497	43.5
129.01942	4.5
133.01408	4.5
135.11382	3.5
137.02455	7.4
145.08386	3.9
155.03516	34.4
175.77771	4.5
179.05611	13.8
208.83464	3.3
211.00201	4.6
233.06628	39.7
249.06143	15.1
253.09624	3.5
289.65350	3.6
291.07227	6.5
314.21558	3.4
323.95306	3.8
345.06046	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	345.0594
Annotation	Cassipourine
Peak:m/z	Relative Intensity
59.01387	53.3
61.70493	3.9
69.01314	16.5
69.01733	26.2
71.01388	43.6
73.02944	9.0
83.01381	4.2
85.02950	16.2
87.00881	100.0
89.02448	28.3
99.00888	19.0
101.02450	34.3
105.21175	4.1
111.00898	5.7
113.02429	25.6
119.03516	51.8
129.02036	3.8
137.02455	12.3
155.03500	36.8
161.04552	6.1
179.05615	17.8
233.06662	42.7
243.42935	4.3
249.06146	18.7
251.07263	4.1
291.07178	16.0
312.35403	3.8
316.10355	9.2
327.05115	6.0
345.05969	11.8
346.11383	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	345.0956
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55904	9.5
59.01388	71.8
62.18468	10.5
70.66169	21.5
70.66546	20.3
70.87041	10.3
71.01378	43.9
72.99319	12.6
85.02934	13.6
86.77831	9.0
87.00883	100.0
89.02451	35.9
99.00885	20.7
101.02454	48.0
111.00853	10.7
113.02460	28.7
119.03500	43.1
125.32681	10.4
137.02438	23.6
155.03506	45.8
156.09256	10.0
179.05562	24.2
183.03058	19.4
233.06717	48.4
245.29964	9.9
249.06245	15.9
266.54520	10.9
291.07349	24.5
346.11368	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	345.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	8.0
68.78127	2.8
69.00150	30.1
69.00566	8.0
73.33321	3.0
80.02692	20.7
81.03421	6.8
85.24815	2.9
97.02920	3.8
99.72765	3.1
107.05038	3.1
109.06604	43.8
118.44081	3.2
120.99646	3.4
138.06805	5.9
145.32710	2.6
147.04482	5.8
153.05582	100.0
154.05876	4.2
155.24329	3.5
157.62035	3.5
165.05621	5.4
172.57809	2.8
197.04538	8.9
222.38383	2.9
278.12256	3.3
315.87946	4.2
345.22726	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	345.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.2
69.27380	3.0
76.04370	0.3
89.02438	0.3
120.99662	100.0
121.99967	1.2
143.79436	0.4
179.10771	4.5
180.11192	0.5
194.74870	0.4
200.95775	0.4
223.09749	0.5
230.11937	0.4
257.08655	0.6
301.11179	0.9
312.96771	0.3
315.67813	0.4
345.10193	2.6
345.13831	0.5
345.22958	1.1
345.46124	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1094
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
59.01369	1.5
60.24912	0.4
61.65927	0.4
71.01382	1.4
79.37444	0.4
84.04552	0.9
85.02911	0.4
94.02984	0.4
94.06615	0.6
95.03779	2.5
95.85643	0.5
96.08259	0.7
98.53516	0.4
101.02444	0.7
101.57515	0.5
104.05067	2.3
106.06637	4.8
112.04046	0.6
113.02486	0.6
119.03523	0.7
120.04533	0.6
122.02453	0.5
122.06136	2.6
124.07706	7.9
132.04570	37.1
133.05367	22.1
134.06175	6.0
138.05588	0.5
139.04034	0.5
148.04047	2.1
150.05579	1.5
160.34409	0.4
165.04329	25.3
166.04657	1.0
171.06882	0.7
176.03537	0.8
176.07124	0.8
177.04294	3.6
178.05048	1.9
178.06529	0.4
184.07722	1.1
185.08527	1.0
186.09213	5.1
187.08774	0.9
198.09294	0.9
209.03311	5.9
213.06705	3.6
214.12378	6.6
215.11877	8.3
216.12323	0.7
225.06824	0.5
226.07480	1.8
227.08287	0.9
228.71219	0.5
229.09859	4.2
239.11900	0.5
240.10265	1.7
241.09824	4.0
255.11342	0.9
257.12979	24.9
258.13327	2.0
283.10895	10.0
284.11282	0.7
301.11945	20.1
302.12296	2.2
327.09940	1.6
345.10938	100.0
346.11215	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	345.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	7.4
68.99805	1.0
69.14418	7.9
71.01372	3.3
73.02934	0.9
77.26992	0.8
81.09452	0.8
84.04531	1.2
85.02937	1.9
89.02445	2.0
89.51463	0.9
94.03009	1.6
95.03792	4.5
96.08135	1.3
101.02459	2.2
104.05068	2.0
106.06643	10.0
107.05028	0.8
109.32726	0.8
112.04044	2.1
113.02465	1.1
115.11954	0.8
118.85547	0.9
119.03512	1.1
120.99672	1.0
122.06145	4.7
123.03282	1.3
124.07703	12.3
132.04570	67.0
133.05367	30.0
134.06174	9.6
148.04021	2.6
150.05650	1.9
155.95259	0.8
165.04330	39.7
166.04662	3.3
176.03496	2.2
176.07191	1.5
177.04338	6.4
178.05080	3.3
184.07687	2.2
185.08473	2.1
186.09286	6.7
187.08688	1.4
195.14590	1.0
198.09198	1.3
200.01782	0.9
209.03294	11.1
213.06734	6.5
214.12392	10.5
215.11902	12.1
216.12175	1.2
226.07520	2.5
227.08257	1.9
228.08980	1.0
229.09798	6.6
240.10397	1.8
241.09781	6.7
248.79967	1.0
250.07600	1.0
251.38586	0.9
255.11328	1.6
257.12985	51.8
258.13300	3.2
283.10919	12.5
284.11099	1.0
301.11954	37.9
302.12299	2.7
327.09833	3.2
345.10947	100.0
346.11279	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	345.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00593	2.1
59.01089	1.8
59.01385	35.8
65.03960	2.6
65.46926	1.3
68.99805	3.8
70.55333	4.1
71.01030	2.4
71.01389	24.1
72.99308	3.4
73.02912	1.4
78.95873	1.6
80.02676	4.5
84.69413	1.6
85.02951	7.6
87.00892	2.4
89.02458	18.8
91.05529	1.5
92.92732	1.5
93.03477	4.0
93.07109	2.5
95.01347	1.5
101.02450	12.9
103.04890	2.6
103.05545	31.9
106.04247	16.6
109.06593	3.0
111.00914	1.6
112.01691	1.9
113.02478	15.2
119.03500	7.3
119.05030	6.6
121.02922	2.0
121.06601	41.4
122.06927	2.1
122.89971	1.9
123.00897	2.8
124.01682	31.5
135.04543	1.9
137.02460	1.8
139.00385	2.6
139.04047	8.2
139.07675	4.2
151.07634	1.4
161.08257	2.5
163.04044	3.3
164.56616	1.5
165.01953	2.5
165.05595	37.5
168.00650	41.0
183.02991	100.0
183.06464	3.4
184.03346	3.4
202.98709	1.8
211.00209	2.5
345.08151	4.2
345.11951	7.8
359.35483	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	345.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.1
58.00602	5.4
58.94819	4.4
59.01389	70.4
59.72954	3.7
65.03964	5.6
68.99814	14.6
71.01389	60.2
71.27873	6.0
73.02941	8.4
78.95896	10.2
79.23639	3.9
80.02695	8.0
85.02967	20.1
87.00885	6.9
89.02451	29.6
93.07104	5.0
95.01404	6.4
96.94020	3.6
97.02964	3.4
99.00880	4.3
101.02441	30.6
103.05555	35.6
106.04279	27.9
109.06625	5.0
111.00896	5.9
112.01687	13.0
112.04096	15.4
113.02477	45.2
119.03514	16.0
119.05031	8.8
120.90257	6.3
121.02920	4.0
121.06606	55.4
122.89989	8.0
123.04546	7.2
124.01674	34.0
124.04081	12.6
129.92322	10.3
137.02460	5.1
139.04054	11.4
160.97807	4.3
165.01935	5.6
165.04292	6.9
165.05583	53.6
166.05054	24.2
168.00667	40.0
182.05893	4.2
183.02994	100.0
183.04530	3.4
184.03383	6.8
184.06189	32.2
211.00162	15.3
226.07259	12.9
253.00211	5.8
270.00647	7.7
271.01511	12.2
272.02026	5.9
304.01382	6.6
306.99356	5.9
307.99954	4.9
308.99213	13.1
309.99692	5.8
325.23703	4.8
345.12064	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	345.1557
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
55.01869	5.8
57.03449	6.3
58.00597	3.5
59.01384	100.0
62.94562	1.7
69.01761	21.0
71.01386	95.5
72.99309	5.6
73.02950	16.6
75.00904	2.5
77.85981	2.1
83.01376	9.5
85.02962	30.5
87.00902	3.7
89.02455	50.3
89.71529	1.8
95.01405	8.0
97.02981	1.9
99.00883	8.9
101.02450	58.9
111.56812	1.9
113.02464	40.2
119.03505	23.1
121.10245	14.3
125.09786	3.3
143.03491	3.0
145.75520	1.8
149.04498	2.7
159.02919	2.5
161.04576	19.0
165.09245	2.7
183.08633	2.6
183.10280	3.8
301.16211	2.1
329.03519	2.1
335.35049	2.0
345.15558	54.9
345.22260	2.8
346.15726	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.156
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
53.70672	1.5
55.01881	4.7
57.03418	1.7
58.00583	3.0
59.01385	100.0
69.79880	1.8
70.07967	3.6
70.08355	4.7
71.01387	64.1
71.12199	1.6
72.99298	5.4
73.02947	6.9
75.00871	2.0
83.01387	7.0
84.96391	2.0
85.02966	21.6
87.00898	4.2
87.04473	2.0
89.02452	57.2
95.01389	5.1
98.21847	2.4
99.00881	2.3
101.02447	42.4
113.02460	23.6
118.98055	2.1
119.03517	29.0
121.10223	6.6
125.84754	1.8
143.03564	2.7
149.04718	2.4
155.59148	2.0
161.04568	3.3
165.09216	2.9
176.03464	2.6
183.10225	2.0
253.18175	2.2
257.12756	2.4
301.11710	2.1
345.11295	2.6
345.15561	66.0
345.22812	6.4
346.15918	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1558
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
55.01873	4.2
57.03430	4.3
58.00593	3.0
59.01386	100.0
60.01703	1.4
69.69456	2.8
69.69862	5.6
69.93467	1.2
71.01390	71.3
72.99307	4.8
73.02946	9.7
74.99069	1.2
83.01397	8.2
85.02962	20.1
87.00869	3.7
89.02455	46.9
95.01397	4.7
99.00895	3.7
101.02457	49.7
113.02467	26.5
113.03183	1.2
119.03521	24.0
120.99602	1.7
121.10247	7.4
132.04539	4.4
133.05324	2.3
143.03529	2.5
148.04120	1.7
159.03026	1.6
161.04541	6.1
165.04308	4.9
165.09218	8.9
166.05064	2.5
178.05063	1.4
179.05624	2.5
183.10260	4.2
214.00520	1.5
215.07539	1.6
257.12863	3.2
257.35574	1.6
338.07904	1.3
339.20651	1.5
345.10919	10.2
345.15494	68.0
346.15817	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	346.0119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24791	0.5
59.01383	73.7
60.01716	7.5
61.01815	2.3
61.98835	100.0
69.55455	1.7
69.55880	2.1
92.34933	0.6
94.89471	0.7
96.96043	0.8
98.21871	0.6
114.04623	0.8
118.73106	0.6
154.99146	0.6
157.03641	1.0
158.03644	1.2
159.03404	2.4
160.03712	1.1
161.01309	1.6
190.43329	0.7
201.02573	8.2
201.04272	0.7
202.02722	28.9
202.98851	2.0
203.02304	35.0
203.98317	1.5
204.00087	42.0
204.02782	11.6
205.00246	3.4
205.02800	1.0
206.24820	0.5
256.85913	1.4
275.88623	0.7
296.34076	1.4
296.83783	1.5
297.33856	1.0
346.04163	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	14.2
63.96233	12.8
66.43277	3.4
67.27191	3.1
69.03465	5.7
69.20770	26.0
71.01382	7.8
71.66678	3.2
72.99314	11.3
74.99098	12.6
86.03053	3.8
101.02442	9.0
105.67486	3.7
117.97305	4.6
127.07707	5.6
135.11842	5.0
135.98373	19.3
136.99075	4.5
153.09251	8.2
179.10765	15.7
209.11809	10.3
227.12941	100.0
228.13139	5.9
235.22714	3.5
351.51569	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	347.1173
Annotation	Compound VII
Peak:m/z	Relative Intensity
55.01877	1.6
57.03440	2.7
58.99620	4.6
59.01367	3.7
69.03458	8.0
71.01384	1.9
71.05029	17.4
71.05424	1.4
73.02956	1.1
83.05004	1.5
85.01185	1.8
87.00867	5.6
95.05044	1.0
97.06601	19.1
99.00885	1.9
101.02451	19.1
102.98571	2.3
113.02455	1.4
115.02232	2.1
115.04002	2.8
118.54521	1.0
120.99670	100.0
123.08160	1.0
126.86829	0.9
129.03975	0.9
133.10170	1.1
151.11264	6.5
157.06927	10.8
163.11282	2.0
172.70969	1.0
181.12326	7.9
197.10080	13.5
206.91833	0.9
207.10313	1.8
225.11362	15.8
241.09053	2.3
259.10095	20.8
260.10559	1.1
329.10724	1.2
347.11728	90.6
348.12015	9.1
362.76556	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1712
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
55.01887	1.2
57.03448	2.8
58.00600	3.3
59.01384	100.0
61.71338	0.9
69.03472	1.1
71.01389	70.1
71.04980	0.9
72.99313	4.8
73.02953	3.4
83.01382	3.4
85.02964	13.4
85.03477	1.4
87.00896	6.4
88.48248	0.9
89.02451	70.7
90.02792	1.3
95.01418	4.1
97.06611	2.2
99.00902	1.3
101.02455	36.0
113.02467	26.2
115.04092	0.9
118.66792	0.9
119.03515	29.8
120.99660	13.4
131.03540	3.6
143.03511	5.3
149.04594	2.0
161.04565	6.2
179.05571	5.7
185.11852	8.4
189.77834	1.0
197.10033	1.0
225.11446	1.9
228.66148	1.1
241.09277	0.9
259.10001	2.3
266.47028	0.9
296.84299	0.9
347.11774	12.6
347.17120	22.5
348.11908	1.6
348.17542	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.4
57.03444	2.0
58.00610	1.5
58.00840	0.3
58.99590	0.3
59.01388	27.2
60.01699	0.5
68.99819	0.6
69.03455	0.6
71.01389	23.0
71.29547	0.4
72.99318	1.8
73.02953	5.0
74.99103	0.4
75.00864	0.6
83.00937	0.4
83.01397	4.7
85.02960	8.6
86.00106	1.3
87.00892	1.8
89.02453	6.8
89.26262	0.3
95.01405	2.0
99.00881	1.9
101.02453	14.3
102.98599	1.2
111.00896	1.4
112.01657	0.3
113.02457	6.0
117.05349	0.4
119.03498	2.1
119.04991	0.3
132.04547	0.4
133.02957	1.2
154.92169	0.3
161.04538	0.5
166.04692	0.3
167.10838	2.0
173.10020	0.3
177.01949	0.4
178.02745	0.4
183.10161	0.3
185.11868	4.8
217.09131	0.7
229.78738	0.3
250.04868	1.6
259.13593	0.4
270.01694	0.6
271.02390	0.5
279.23300	0.3
294.26367	0.3
303.12781	0.4
305.10507	0.4
305.19809	0.5
329.02896	1.5
329.16052	1.9
347.17130	100.0
348.17505	7.9
348.21567	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.1
57.03442	1.8
58.00599	1.2
59.01383	29.9
64.97884	0.5
69.20022	0.8
69.20412	3.5
70.61022	0.4
71.01385	23.6
72.99304	1.1
73.02946	4.3
83.01387	4.6
85.02953	8.9
86.00074	0.9
87.00867	1.0
89.02455	7.5
95.01402	2.0
98.22567	1.0
99.00887	1.6
101.02453	13.5
103.50063	0.4
113.02450	6.0
119.03500	2.5
127.07607	0.5
133.02933	1.0
141.09077	0.5
156.17041	0.5
161.04608	0.7
167.10789	4.2
169.46657	0.5
185.11836	6.5
250.04767	0.6
329.16028	2.0
347.17108	100.0
348.17459	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.5
57.03456	1.8
58.00591	1.7
58.22898	1.1
59.01385	100.0
69.20750	6.7
71.01389	30.7
71.05033	1.3
72.99316	2.0
73.02953	11.2
75.00866	1.2
83.01385	5.6
83.05048	2.7
85.02956	14.4
87.00899	1.7
89.02454	14.0
89.02960	1.3
95.01404	3.1
99.00894	2.6
101.02456	27.7
111.00869	1.5
113.02460	12.9
117.33906	1.1
119.03526	4.3
133.02960	2.1
143.03491	1.8
143.10820	1.3
145.05099	2.2
153.60417	1.1
159.21649	1.0
161.04582	5.3
177.02095	1.2
185.11876	1.4
250.04854	1.3
303.18289	2.1
305.16125	11.1
305.19437	1.5
335.01794	1.1
347.13055	2.7
347.17087	24.6
348.17593	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	347.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.4
57.03444	2.2
58.00594	2.0
59.01385	46.8
68.03877	0.8
71.01387	41.8
72.84258	0.8
72.99294	2.9
73.02573	1.1
73.02953	14.8
83.01399	7.5
85.02472	1.2
85.02959	16.5
86.00124	2.3
87.00885	3.1
89.02449	15.4
95.01419	4.2
97.02946	1.5
99.00866	4.3
101.02455	38.0
105.37391	0.8
111.00924	1.8
113.02463	15.7
119.03542	7.1
121.14507	0.9
125.02469	1.0
133.02965	3.2
136.01649	1.0
159.03020	1.9
161.04594	6.1
167.10771	16.0
169.12279	1.1
170.52605	0.9
174.19664	0.9
174.83841	0.9
185.11853	2.3
250.04808	2.9
303.18134	3.8
347.17120	100.0
348.17551	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	347.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
70.93479	62.4
70.93810	100.0
79.11744	52.8
85.00433	56.6
108.20015	56.1
150.32706	52.6
155.16525	64.2
167.72722	67.6
196.59871	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	94.2
59.39783	9.5
65.66866	8.4
68.99825	100.0
71.01401	64.4
71.27811	16.1
76.89448	8.8
81.03392	11.0
83.01375	11.5
85.02953	16.2
87.00893	15.8
89.02473	29.4
99.04561	12.5
101.02462	36.3
111.00906	12.5
113.02442	33.2
119.03540	17.3
123.23030	9.5
140.96634	10.1
143.03519	10.8
158.80331	10.5
161.04539	24.8
185.04619	9.5
203.84277	9.3
240.37645	12.1
261.08691	16.0
279.10843	21.6
348.09937	16.0
349.11417	19.2
372.67130	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	348.096
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49169	12.5
59.01384	40.3
61.98832	20.9
68.96777	31.6
68.97176	100.0
68.99835	19.1
71.01392	25.3
89.02441	14.2
92.74955	11.2
133.43695	13.5
189.31035	11.0
288.08682	16.9
348.09622	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	349.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13138	1.8
50.50624	1.7
53.40034	1.6
55.01886	2.3
57.03446	3.3
58.00592	2.6
59.01383	56.2
64.26020	1.9
65.99855	3.8
69.03478	2.1
69.10726	17.0
69.76199	1.9
71.01385	47.2
72.99311	2.6
73.02959	9.5
78.03765	1.8
80.05064	5.4
82.02995	10.3
83.01394	5.8
85.02959	15.0
87.00885	2.4
89.02455	30.6
90.48592	1.6
95.01392	5.2
99.00854	3.5
99.04545	4.5
101.02448	28.7
102.05568	2.7
106.03002	4.9
113.02442	18.1
113.06090	3.3
115.61707	1.8
119.03500	13.2
121.03043	1.7
122.02488	2.5
122.06158	6.1
125.09693	3.7
128.99257	2.2
132.04579	5.2
134.06122	3.8
136.04115	3.2
138.05626	14.5
146.09782	3.3
148.04021	2.6
148.07712	2.8
149.04785	4.5
150.05630	5.9
154.05135	2.4
160.04042	6.1
160.07690	1.9
161.04619	11.5
163.05177	5.4
164.03560	30.1
169.08725	6.1
172.98232	4.8
174.05635	1.9
176.03500	2.3
176.07040	1.7
176.10826	3.5
177.06673	3.3
178.05098	6.9
179.05568	2.2
179.07071	1.9
182.04594	2.9
187.09775	4.3
190.03937	2.7
190.08760	26.9
191.04636	26.8
191.08276	2.5
192.03059	5.5
194.04630	4.8
202.08759	7.3
204.03131	4.4
204.05292	2.0
216.05489	2.2
217.06219	12.1
217.09709	3.5
218.11867	35.3
219.07771	2.0
219.11783	2.6
221.05666	5.6
222.04088	3.7
231.07849	4.7
231.40775	1.7
233.09325	90.6
234.09624	4.9
243.07784	3.9
243.11388	2.5
244.04932	13.0
244.09708	8.3
245.09286	17.9
258.06485	3.6
259.07251	33.4
260.07437	1.9
261.08804	7.1
261.12479	19.2
263.10461	2.6
269.09329	3.1
271.07269	23.2
272.07794	3.9
277.08261	6.0
287.07227	4.0
287.10406	61.8
288.10608	4.1
305.11429	15.7
313.08368	2.3
331.09381	67.8
332.09579	5.4
332.13623	2.5
349.10437	100.0
349.15048	78.2
349.18533	4.1
350.10684	10.2
350.15265	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	349.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	5.4
57.03440	5.5
58.00567	3.6
59.01385	99.3
61.31905	2.5
66.03487	6.7
70.58363	6.5
71.01390	84.7
72.99323	5.7
73.02959	16.3
73.36862	2.5
80.05074	22.8
80.05494	4.2
83.01389	7.9
83.05061	3.7
85.02943	24.8
87.00902	4.6
89.02462	42.9
93.03484	17.9
93.37154	2.5
95.01408	7.9
98.02491	4.4
99.00910	9.5
99.71566	2.6
101.02464	53.5
102.05573	3.0
104.05103	8.6
106.06651	3.3
108.04631	2.7
110.06181	6.3
113.02468	30.5
119.03525	13.1
122.06144	20.4
122.91421	2.8
123.04572	3.2
124.04060	3.7
126.99575	3.7
128.03595	4.7
128.99301	32.5
132.04578	28.7
133.06624	3.1
134.06143	12.1
134.94693	2.3
136.04033	3.9
138.05630	8.6
143.03496	3.1
143.05095	3.1
146.04622	4.7
148.04051	11.0
150.05669	16.3
154.05170	3.9
159.03026	3.5
159.05630	3.1
160.04071	29.9
160.07631	4.4
161.04590	20.8
166.05176	3.6
169.08727	15.4
172.98251	77.8
174.09198	4.3
175.05101	3.4
176.03569	9.5
177.04338	4.4
177.06714	17.5
178.05106	26.2
179.05679	2.8
182.04756	2.8
187.09814	5.8
187.13429	5.3
190.08754	8.0
192.03020	16.9
194.04608	23.5
200.07268	9.1
203.04604	5.7
204.03009	18.6
214.99426	3.8
215.05963	3.1
217.09804	29.1
221.05681	19.7
222.04141	18.7
225.06808	2.9
226.08797	3.6
228.05267	3.3
241.09912	6.4
242.10338	3.3
243.07715	16.0
243.11462	5.1
244.06104	3.3
244.30026	3.0
247.03676	6.5
259.10883	4.6
261.08813	67.4
262.09027	6.3
269.09351	7.8
287.10391	21.9
313.08322	6.0
331.09409	66.6
331.13412	3.4
332.09686	7.3
349.10446	32.3
349.15042	100.0
349.18637	6.9
350.11130	3.3
350.14999	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	349.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	10.2
59.84787	0.6
69.34029	5.2
72.00917	8.5
74.02470	2.2
93.03448	1.3
95.02227	0.7
98.21828	1.5
100.00420	23.2
116.05075	10.4
117.03489	13.7
119.05042	100.0
120.05387	4.1
130.06619	4.9
139.23898	0.6
142.06635	34.0
143.07007	1.2
145.02969	58.3
146.03307	2.3
146.06152	2.4
147.04549	2.1
157.07701	4.5
159.09253	4.3
176.07205	1.8
181.07799	1.3
185.07220	3.3
186.05611	16.5
187.05997	1.3
203.08281	7.8
204.08583	0.7
229.06186	43.8
230.06593	2.4
258.09497	0.8
291.45627	0.7
296.85370	0.9
305.13037	3.0
349.11978	5.0
350.12231	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.8
68.99842	1.4
71.01380	1.5
71.02528	2.9
72.00925	6.3
75.12757	1.1
93.03465	4.2
100.00411	13.1
101.02473	1.5
107.05020	1.3
111.00845	1.2
114.99652	1.0
116.05076	9.5
117.03472	9.4
119.05038	100.0
120.05365	4.3
121.02959	1.5
123.04551	1.3
128.05078	2.3
130.06657	6.5
133.02968	5.4
135.04518	3.8
142.06642	23.4
145.02962	48.3
146.03259	1.7
146.06113	6.9
147.04582	5.6
157.07741	17.2
159.09329	11.0
161.04718	1.1
162.05684	2.8
163.03964	2.1
172.39594	1.3
173.06047	1.2
174.05492	1.5
176.07179	5.9
177.02103	1.5
181.07722	4.9
185.07188	1.8
186.05629	18.6
199.08766	1.4
202.05235	1.3
203.08290	6.4
219.02934	1.9
220.03792	3.4
220.05878	1.7
225.92288	1.1
227.75018	1.1
229.06192	49.0
229.08501	2.7
230.06544	3.6
231.10390	1.5
251.05014	1.5
252.05341	1.4
266.51111	1.3
305.09052	2.6
305.12991	10.8
332.45087	1.2
349.11990	10.3
362.71497	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18853	0.6
59.01385	67.9
64.29105	0.6
68.99823	1.2
69.03431	0.8
69.12392	6.3
71.01393	4.0
72.99322	0.6
73.98312	0.9
74.99088	1.2
75.85818	0.6
76.31396	0.6
85.02948	2.3
87.00896	4.1
89.02431	3.3
98.21899	2.3
101.02464	3.4
101.97828	0.8
102.98620	1.0
107.05041	0.7
113.02454	1.8
120.99663	7.0
125.09731	1.2
161.04552	1.7
161.19495	0.7
171.08487	0.7
183.08522	1.2
187.09807	2.1
187.13435	1.5
199.11649	8.2
201.09570	26.8
202.09868	1.3
217.12775	3.3
227.12968	3.6
229.14488	1.5
243.10612	1.9
261.08899	1.1
261.11670	18.9
262.12021	1.1
287.13281	4.0
289.11270	7.8
331.12323	5.0
349.13287	100.0
350.13666	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	349.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91253	1.3
55.80574	1.3
57.03453	1.8
58.99619	1.8
59.01382	23.3
59.57042	1.7
68.99822	2.3
70.69860	4.0
71.01393	12.9
71.05025	2.5
72.97530	1.4
72.99277	1.8
73.02939	3.9
74.99124	7.8
75.85403	1.3
79.54150	1.3
85.02947	5.4
87.00868	19.7
89.02447	11.5
94.70510	1.4
95.01412	1.6
96.96017	1.5
101.02446	35.1
102.98621	3.5
113.02446	6.1
113.04290	2.1
119.03512	3.6
120.99656	5.9
130.08713	2.0
131.05333	1.5
135.11859	3.2
136.99170	3.1
161.04573	3.0
187.13394	1.8
197.42166	1.5
199.11644	2.6
209.11880	5.8
219.10609	73.7
220.10873	3.8
227.12898	24.0
228.13271	1.7
243.10593	5.3
245.72975	1.7
261.11673	49.9
262.12033	4.8
279.67972	1.4
289.11261	4.1
307.12189	14.8
311.17474	1.5
349.13303	100.0
349.17880	3.9
350.13483	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	349.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79327	0.8
55.01883	4.6
57.03451	6.8
58.00598	4.9
59.01384	100.0
66.03485	0.8
66.59869	0.7
68.99825	1.1
69.03468	1.4
69.54820	1.2
69.55231	4.3
71.01387	91.9
71.05033	1.1
72.01784	0.9
72.99306	4.6
73.02952	18.2
74.69697	0.7
74.87623	0.7
75.00871	1.8
78.12434	0.9
80.05059	5.4
83.01392	10.6
83.05030	1.5
84.02209	0.8
85.02957	32.1
86.03273	0.7
87.00874	5.6
87.04543	2.1
89.02453	52.8
90.02806	0.9
93.03471	5.2
95.01396	6.3
97.02946	1.4
97.06569	1.1
98.22554	1.0
99.00896	7.9
101.02451	57.0
102.02818	1.1
102.05636	1.0
108.04591	1.2
110.06129	1.0
113.02460	33.2
119.03513	22.7
122.06139	4.9
123.04581	1.0
125.02459	1.5
125.09760	2.2
128.99303	8.3
129.01949	1.2
131.03513	1.7
132.04575	5.6
134.06100	1.2
138.05647	1.6
143.03514	4.1
146.04652	0.9
148.04054	1.4
149.04558	1.1
150.05630	3.9
159.02989	5.0
160.04095	5.0
161.04567	20.0
169.08711	4.7
172.98238	11.6
176.03526	2.3
177.04279	1.0
177.06697	3.0
178.05144	4.5
178.06499	0.8
179.05614	2.6
187.09785	3.3
187.13387	8.0
192.03000	4.2
194.04561	3.9
200.07204	1.1
203.04724	1.3
204.02977	4.0
217.09850	3.3
221.05609	2.7
222.04059	3.2
228.05289	0.9
229.14455	0.8
241.09908	1.4
243.07674	2.1
247.03699	1.0
259.11111	0.8
261.08841	7.3
287.07272	0.8
287.10333	3.0
305.16107	2.4
313.08542	1.0
331.09360	9.6
332.09753	1.3
349.10516	5.4
349.15002	62.9
349.18753	9.7
350.15298	5.6
350.18994	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	349.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39040	0.9
55.01885	5.7
55.51421	0.9
57.03448	7.8
58.00591	4.2
59.01386	98.2
66.03478	3.4
68.99826	1.8
69.22977	7.1
71.01391	94.6
72.01720	1.4
72.99306	4.1
73.02955	18.9
75.00898	2.1
80.05073	6.8
81.59945	0.9
83.01404	9.5
83.05012	2.3
85.02962	31.4
87.00883	5.0
87.04513	1.5
89.02453	54.6
93.03470	8.1
95.01386	7.2
95.16307	0.9
97.03013	1.1
97.06576	1.2
99.00887	8.9
101.02457	65.0
102.02750	1.7
102.05604	1.2
104.05074	1.8
106.06643	1.0
108.04592	1.2
110.06118	1.6
111.00935	1.5
113.02464	38.5
119.03525	23.8
122.06152	7.7
123.04547	1.2
124.04034	1.4
125.02429	1.7
125.09759	3.4
128.03558	1.5
128.99301	14.8
129.02008	1.1
129.99605	0.9
131.03539	2.1
132.04572	9.0
134.06142	4.0
136.04050	2.0
138.05617	2.9
143.03496	4.2
144.92715	1.0
148.04036	3.1
148.28647	1.0
149.04555	2.0
150.05586	4.8
154.05072	1.8
159.03038	4.8
160.04056	10.9
161.04582	25.6
169.08757	7.6
172.98256	24.2
173.98697	1.3
175.05101	1.3
176.03523	4.0
177.04335	1.8
177.06708	4.1
177.58827	1.0
178.05125	7.3
179.05568	2.1
182.04582	2.3
187.09753	3.1
187.13397	9.3
190.08737	2.5
191.08264	1.3
192.03090	7.5
194.04637	6.8
200.07214	1.2
203.04553	1.2
204.03062	5.4
215.05835	1.3
217.09848	9.3
221.05695	5.2
222.04077	6.3
241.09811	2.0
243.07678	5.0
243.11400	1.3
247.03619	2.8
259.10876	2.9
261.08817	16.7
262.09015	1.4
269.09274	2.0
287.10403	6.5
305.16089	2.2
313.08276	2.2
331.09409	20.1
331.13443	1.2
332.09686	1.9
349.10529	9.6
349.15005	100.0
349.18732	9.1
350.08875	1.2
350.15390	9.6
350.19153	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.166
Annotation	gibberellin A2
Peak:m/z	Relative Intensity
57.03444	4.0
57.68496	0.7
59.01384	7.3
67.01849	0.8
69.03421	1.2
70.09258	3.0
71.01376	3.6
78.66997	0.8
80.02695	1.3
81.03459	3.4
83.05032	1.7
85.02939	1.6
85.22043	0.7
89.02402	1.5
93.03437	1.0
95.05035	11.1
97.02973	2.0
97.06594	19.5
98.21865	1.0
101.02434	1.2
106.04237	1.5
107.05032	1.8
107.45116	0.8
109.06606	9.1
113.02420	1.0
117.07104	3.0
119.05048	4.0
121.06561	0.9
123.08163	2.5
125.09738	28.7
126.10069	1.4
133.02985	1.6
133.06557	1.0
134.03662	0.8
135.04532	2.5
135.08176	100.0
136.04938	0.8
136.08513	4.3
137.08725	0.8
137.09740	3.1
138.28186	0.8
161.06158	1.2
161.09813	0.8
163.04041	1.7
163.11310	7.7
165.12868	1.5
175.78922	0.7
179.14462	7.2
183.10242	1.3
185.11832	14.2
187.01056	0.9
207.10233	7.4
209.11873	15.8
210.12100	1.2
211.13374	2.7
219.02887	2.1
219.17575	2.5
220.03662	1.7
223.13409	74.1
224.13788	5.6
252.05437	1.5
263.16537	21.6
264.13675	1.0
264.16672	1.5
284.86493	0.7
287.16608	8.4
305.17615	60.1
306.17978	5.4
317.10370	1.0
349.16583	8.3
350.16806	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	349.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
57.03449	1.0
58.00621	0.6
59.01384	100.0
60.01746	0.9
68.99824	10.9
70.72269	1.2
71.01387	13.5
72.99313	1.0
73.02937	3.1
83.01399	2.8
85.02951	7.7
87.00889	1.5
89.02454	4.3
94.24348	0.6
95.01403	1.1
99.00919	1.6
99.76254	0.8
101.02454	12.3
103.41872	0.6
104.98204	0.6
111.00922	2.5
113.02448	5.8
116.46428	0.6
119.03547	1.6
120.99567	0.7
143.03458	1.2
145.06252	0.8
145.12383	1.0
147.47903	0.7
159.03111	0.7
161.04584	5.9
168.75320	0.7
187.13423	1.4
190.05409	0.6
191.05879	0.6
195.68748	0.6
198.62103	0.6
213.26244	0.6
217.64012	0.6
222.01241	0.7
229.16397	0.7
250.06505	0.7
251.07037	0.9
289.16663	2.1
307.17630	12.9
308.18207	0.9
349.07288	4.0
349.13559	0.7
349.18680	5.5
350.07773	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.187
Annotation	Rhodioloside D
Peak:m/z	Relative Intensity
55.01871	1.9
57.03444	1.5
59.01383	100.0
65.58336	1.2
66.83723	1.2
68.59598	1.0
68.99805	1.1
70.80423	1.0
71.01389	26.8
71.05045	1.4
72.99283	2.3
73.02948	10.4
83.01393	5.6
85.02954	16.0
87.00900	1.7
89.02442	6.6
95.01393	1.6
98.22619	2.8
99.00892	3.2
101.02452	26.8
113.02461	10.5
119.03478	2.0
143.03484	2.1
145.12337	5.0
158.34056	1.4
159.02995	2.3
161.04561	7.3
169.12328	2.3
187.13406	10.9
289.16602	3.1
299.31604	1.2
307.17645	47.3
308.17917	4.1
331.17828	1.0
349.18701	39.7
350.19083	3.1
367.25189	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.8
57.03453	2.8
58.00600	5.2
58.39532	0.5
59.01385	100.0
60.01720	1.3
66.85331	0.5
69.38120	4.4
69.80742	0.6
71.01389	73.6
72.01735	1.0
72.99324	4.8
73.02953	8.2
73.21709	0.7
75.00868	0.9
83.01398	3.9
84.02192	0.9
85.02961	18.4
87.00900	2.7
87.04535	1.9
89.02454	67.5
90.02814	1.0
92.10584	0.6
93.03465	3.6
95.01404	5.4
97.02989	0.7
98.21847	1.2
99.00905	3.6
101.02454	42.0
102.02819	1.2
102.05640	1.0
113.02462	26.9
114.02850	1.0
119.03516	27.6
121.43793	0.5
125.02509	1.3
128.03531	1.5
128.99304	6.8
131.03555	2.5
143.03540	2.8
149.04645	2.2
159.03053	2.8
159.04350	0.7
161.04578	14.7
169.08711	1.0
172.98264	13.3
173.98547	0.9
179.05617	3.0
187.09851	0.8
187.13425	6.7
331.09558	0.7
349.10941	0.7
349.15079	4.0
349.18939	11.8
350.09180	1.0
350.19495	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	4.7
57.03438	3.1
58.00597	4.3
58.49524	0.9
59.01384	100.0
67.85119	0.8
68.99836	1.3
69.03454	2.8
71.01389	83.7
71.05007	1.0
71.29070	0.9
72.01727	1.6
72.99310	5.3
73.02949	11.6
73.04073	2.7
75.00880	1.0
78.91832	0.9
80.05066	2.9
82.02985	1.3
83.01379	5.5
85.02957	22.3
87.00877	4.3
88.92522	1.0
89.02451	66.2
90.02769	1.2
95.01409	5.4
96.04567	1.5
97.02974	1.3
97.06600	2.0
98.02481	1.8
99.00916	5.3
101.02454	54.4
102.02811	1.6
102.98606	3.5
112.04057	1.5
113.02460	34.9
119.03509	32.7
120.03855	1.1
122.06129	3.1
125.09731	3.8
131.03539	2.8
132.04564	2.1
138.05650	1.3
139.05164	3.5
142.99080	1.4
143.03514	4.8
147.04521	2.2
148.04041	1.3
148.96790	1.0
149.04553	2.7
150.05659	1.5
152.07179	1.1
154.05101	0.9
156.03069	1.4
159.03006	4.1
160.04053	3.6
161.04568	20.1
164.07166	3.3
166.01431	2.4
169.08745	9.4
175.05276	1.1
176.03563	1.2
177.06671	1.4
177.10349	1.4
178.05067	1.5
179.05661	10.1
184.02451	1.4
186.98024	3.6
187.09773	1.9
187.13416	11.3
192.03073	1.9
194.04604	3.3
222.04085	3.0
241.09834	1.6
243.11348	2.4
251.08272	1.1
259.10742	1.0
287.10388	6.7
303.09763	4.7
331.09354	10.2
331.13205	1.3
332.09674	1.7
349.10309	10.7
349.14902	12.9
349.18735	37.2
350.19077	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	349.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.3
57.03444	3.5
58.00597	4.2
59.01382	100.0
64.33138	0.8
68.99785	1.1
69.03451	1.2
69.72123	2.4
69.72511	1.6
71.01385	72.3
71.05020	1.5
72.00896	1.3
72.98944	0.9
72.99307	5.4
73.02946	9.5
73.04065	5.0
82.02978	2.6
83.01398	6.2
85.02958	19.8
87.00878	5.0
89.02451	65.6
90.02789	1.5
95.01392	6.1
96.04533	2.3
96.95972	1.1
97.02950	1.0
97.06599	1.5
98.02483	2.9
99.00924	4.3
101.02450	46.6
102.02789	1.0
111.00864	1.1
112.04034	3.0
113.02450	27.5
114.43401	0.8
119.03508	28.3
120.99639	1.9
122.99236	3.9
123.00031	1.0
125.02430	1.3
129.01872	1.0
131.03490	3.0
137.03577	1.1
139.05135	7.2
143.03537	5.0
143.04807	0.9
147.04555	4.3
149.04570	2.0
151.05115	1.3
155.04608	1.8
156.03033	1.6
157.06218	2.6
159.03041	1.7
159.21471	0.8
161.04562	13.1
164.07175	6.9
166.01443	2.7
174.05519	1.0
177.10309	2.3
178.03772	1.0
179.05609	5.8
184.02499	1.2
187.09714	1.9
187.13406	8.0
214.26434	0.8
223.71686	0.8
243.11346	2.7
266.37503	0.9
287.10431	6.8
303.09744	6.2
305.11359	1.6
311.22012	0.9
331.09296	4.1
349.10666	9.2
349.14941	8.3
349.18750	10.3
350.15277	1.3
350.19016	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1869
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
52.34836	0.8
55.01876	3.2
56.81746	1.1
57.03448	1.5
58.00591	4.6
59.01384	100.0
60.01727	1.2
62.02603	1.0
65.86875	1.1
67.20799	1.0
68.99822	2.2
69.03465	1.2
71.01389	65.2
72.99319	5.6
73.02939	6.6
75.00872	1.2
83.01386	5.7
85.02966	13.7
87.00896	4.2
87.76644	1.0
87.83327	1.0
89.02457	63.7
90.02796	1.2
95.01405	3.6
96.96033	1.3
99.00886	2.7
99.04501	1.2
101.02453	46.4
112.01749	0.9
113.02462	26.8
114.02795	1.7
115.07689	3.3
119.03512	28.8
119.59638	0.9
120.03907	1.1
120.99612	1.0
125.09690	1.5
129.94759	1.0
131.03528	3.5
143.03497	4.5
149.04559	1.8
152.03549	1.1
159.03004	1.3
161.04596	11.7
179.05664	9.6
187.09779	1.5
187.13499	7.1
261.11691	1.2
349.13376	5.4
349.18683	30.5
350.18710	1.8
370.78625	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00215	1.2
54.54799	1.2
55.01881	2.9
57.03447	5.7
58.00590	3.2
59.01383	100.0
71.01386	78.1
71.01788	1.8
72.01682	1.4
72.99308	4.1
73.02950	11.2
83.01392	6.8
85.02954	23.3
87.00874	4.5
87.04524	3.7
89.02446	53.5
95.01402	4.4
95.31789	1.4
97.02941	1.8
99.00900	6.0
99.32090	1.2
101.02449	43.1
113.02462	30.7
119.03522	25.8
119.04365	2.6
143.03529	4.0
149.04550	2.1
149.24713	1.3
159.01797	1.5
159.03032	5.8
160.04115	1.6
161.04565	21.8
169.08781	2.2
172.98335	2.2
179.05609	3.1
187.09758	1.7
187.13391	11.1
265.56189	1.4
349.10602	2.4
349.15002	24.7
349.18762	20.8
350.15207	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	349.1871
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
54.11139	1.0
55.01878	3.0
57.03442	2.3
58.00598	4.5
59.01385	100.0
67.80456	1.2
69.28304	10.6
71.01392	67.9
72.01704	1.5
72.99313	5.0
73.02947	8.1
83.01405	5.5
85.02963	16.6
87.00890	4.2
87.04532	1.9
89.02454	71.7
95.01414	4.6
98.21791	2.4
99.00893	2.6
101.02451	45.9
113.02457	27.1
113.03178	2.2
115.07711	2.4
119.03515	30.1
131.03479	2.2
143.03485	6.2
149.04622	3.4
159.03030	1.7
161.04585	11.2
167.78250	1.5
169.12344	1.7
170.12767	1.3
179.05649	8.6
187.13391	6.9
195.88168	1.2
211.13420	1.2
219.08414	1.3
227.73392	1.2
229.14455	1.4
250.60506	1.2
263.61304	1.8
277.14709	1.4
349.13425	4.9
349.18677	37.9
350.19022	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	349.187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10691	1.5
55.01886	3.1
57.03447	2.5
58.00596	3.6
59.01387	100.0
60.01727	1.6
66.18604	1.2
66.66544	1.1
68.99806	1.4
69.17381	8.7
69.17789	2.8
71.01389	66.6
72.99316	4.2
73.02955	7.3
76.88934	1.2
77.07903	1.2
83.01382	5.0
85.02962	13.9
87.00396	1.6
87.00893	5.8
88.01237	1.3
89.02455	76.6
95.01395	4.8
99.00911	1.6
101.02456	45.7
101.06081	1.4
113.02460	30.5
115.07669	2.3
119.03516	35.2
119.90686	1.2
122.59175	1.3
131.03491	3.1
131.71799	1.5
143.03532	4.7
149.04568	2.5
161.04578	11.8
179.05618	10.2
187.04010	1.5
187.13358	7.0
229.14389	1.9
250.18855	1.2
349.13428	3.8
349.18701	39.3
350.19107	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	350.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	2.3
60.53243	0.4
69.77431	0.5
70.64659	0.9
70.65022	0.8
71.01370	1.0
74.77045	0.4
75.30529	0.5
77.30368	0.5
87.00897	0.5
89.02459	0.6
113.02487	0.6
119.03461	0.5
144.04561	100.0
145.04904	5.4
148.98535	0.5
161.04539	0.7
193.20038	0.5
306.09866	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
70.00240	2.3
71.01390	27.4
71.27224	4.3
72.49872	2.3
72.99312	3.9
75.00858	3.5
83.01399	3.1
85.02955	9.0
87.00885	39.4
89.02466	13.6
95.34376	2.6
99.00883	25.0
101.02470	18.6
106.84105	2.9
109.02967	3.4
111.00919	3.5
113.02438	16.0
119.03536	26.7
121.83999	2.9
137.02458	6.3
141.52116	2.5
145.04886	3.3
155.03516	5.0
165.81773	2.3
168.28969	2.5
169.01173	2.6
192.95958	2.6
248.43802	2.7
255.63737	2.6
279.87677	3.1
364.77301	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01087	5.2
59.01385	100.0
68.99820	9.8
69.00362	28.2
71.01390	32.0
73.02928	4.7
73.41602	2.4
78.05203	2.6
83.01410	3.2
85.02937	6.7
87.00876	8.3
89.02453	27.0
99.00912	3.5
101.02455	18.4
111.29372	2.5
113.02482	15.3
115.04037	2.9
119.03513	11.6
129.05602	14.6
136.04056	8.8
143.03560	7.7
147.30280	2.5
161.04570	8.8
164.07159	6.1
179.05618	4.1
192.95871	11.8
255.29352	2.8
271.65686	2.8
291.10803	13.9
293.02170	4.7
317.19803	3.1
351.12857	9.3
352.03635	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	351.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14996	1.2
57.03442	1.6
59.01382	100.0
60.01682	1.5
60.97534	1.2
69.78117	4.8
71.01385	15.1
71.05025	1.7
73.02960	1.9
83.01395	2.0
85.02961	4.4
87.00873	1.7
89.02463	3.4
98.22430	2.1
99.00931	2.5
101.02462	6.0
101.72744	1.2
106.85284	1.3
109.02961	1.6
113.02467	4.9
114.19876	1.2
127.04053	1.3
129.05545	2.1
161.04547	13.1
172.52011	1.2
173.97484	1.4
210.13936	1.3
219.31622	1.4
291.10855	2.1
351.12970	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	351.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.0
57.03440	1.4
58.00588	1.5
59.01385	100.0
60.01715	1.9
69.92882	6.1
71.01386	23.4
71.43818	1.2
72.99311	2.7
73.02949	11.6
83.01406	2.8
85.02956	11.4
87.00887	2.9
87.04535	7.1
89.02454	15.6
95.01407	1.6
96.96069	1.8
98.21824	1.9
99.00891	44.8
101.02446	17.9
111.00870	2.1
113.02451	10.0
117.01968	2.4
119.03514	5.9
131.07150	4.4
133.03014	2.7
143.78123	1.1
145.03061	1.4
150.05623	1.4
161.04567	8.4
171.10284	4.2
179.05707	1.7
189.11342	5.7
191.05739	1.9
207.90556	1.5
251.11295	14.4
291.14563	4.4
293.12488	8.4
333.10455	1.4
333.15509	3.6
351.07748	2.7
351.12549	4.0
351.16629	52.5
352.17075	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	351.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.6
56.47456	0.7
58.00598	0.9
59.01385	26.8
69.61610	3.8
71.00985	0.9
71.01385	16.9
73.02961	5.2
77.85825	0.7
78.97771	0.7
83.01405	1.3
85.02950	5.4
87.00871	1.2
87.55185	0.7
89.02451	8.4
95.01417	0.9
98.22482	1.1
99.00880	1.0
99.08145	2.8
101.02458	9.3
113.02470	4.0
119.03500	2.6
123.59724	0.6
125.03205	0.6
127.07588	1.8
127.08484	0.9
127.11259	1.8
129.09215	3.3
143.10803	4.5
153.09215	1.4
156.02609	0.7
171.10287	11.1
173.46227	0.7
175.00919	0.7
189.11343	28.3
222.02296	0.9
251.30316	0.8
333.15652	1.6
351.16599	100.0
352.17004	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	351.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83701	0.8
57.03456	1.2
58.99600	1.5
59.01386	100.0
60.01723	1.1
63.94466	1.6
70.59865	2.6
71.01391	9.1
73.02951	2.6
73.25043	1.1
83.01405	1.6
83.25642	0.8
85.02966	2.5
89.02457	6.4
93.03477	1.2
96.34176	0.9
99.00883	2.4
100.03166	0.9
101.02445	7.3
102.98602	1.5
113.02466	4.4
113.04317	2.6
119.03490	1.9
124.04039	1.0
133.02963	1.3
143.03482	1.1
150.54370	0.8
159.03064	2.0
161.04619	6.0
189.11282	2.1
229.50107	1.0
251.11339	1.1
259.10931	1.5
291.14548	5.4
293.12228	1.4
351.16602	10.2
359.48254	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05954	0.7
59.01385	100.0
69.57435	4.7
71.01379	2.3
73.02934	0.9
85.02969	1.2
85.93199	0.8
93.03446	1.4
95.05024	1.0
95.92012	0.8
96.96027	2.0
101.02467	2.3
105.37613	0.9
109.02943	1.1
113.02474	0.8
124.97375	0.8
133.03018	1.9
135.04530	3.8
147.04543	1.2
161.04539	1.1
165.05562	1.8
177.01906	1.2
179.03400	1.2
180.97733	1.0
183.50513	0.8
191.05618	1.2
213.52837	0.9
282.53134	0.8
283.40527	0.9
291.18173	2.2
315.00803	1.4
350.98489	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	352.125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	100.0
64.71779	12.6
70.90015	30.4
71.01376	51.7
75.00894	23.0
89.02454	55.6
95.68874	12.1
96.84425	14.3
101.02483	23.9
113.02446	38.3
119.03509	34.2
121.82733	15.5
177.92401	13.9
179.05571	41.1
201.88051	14.0
201.99329	14.6
310.91525	18.4
353.00360	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	353.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	46.6
61.98838	100.0
67.01205	4.2
71.01382	22.7
71.29325	9.5
71.43937	4.4
72.99312	9.6
73.02937	7.9
83.05025	7.2
85.02959	14.5
87.00902	6.1
89.02473	19.7
91.82939	5.1
93.03436	25.6
99.00888	5.3
99.04541	6.8
101.02470	13.5
105.00171	4.8
111.04517	23.9
113.02473	20.0
117.05608	11.7
119.03536	6.5
129.01990	8.4
137.02425	11.5
155.03555	16.7
161.04533	7.8
173.04578	49.9
191.05661	35.6
255.03587	9.8
279.10797	30.8
353.10693	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	353.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	46.6
61.98838	100.0
67.01205	4.2
71.01382	22.7
71.29325	9.5
71.43937	4.4
72.99312	9.6
73.02937	7.9
83.05025	7.2
85.02959	14.5
87.00902	6.1
89.02473	19.7
91.82939	5.1
93.03436	25.6
99.00888	5.3
99.04541	6.8
101.02470	13.5
105.00171	4.8
111.04517	23.9
113.02473	20.0
117.05608	11.7
119.03536	6.5
129.01990	8.4
137.02425	11.5
155.03555	16.7
161.04533	7.8
173.04578	49.9
191.05661	35.6
255.03587	9.8
279.10797	30.8
353.10693	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	353.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	46.6
61.98838	100.0
67.01205	4.2
71.01382	22.7
71.29325	9.5
71.43937	4.4
72.99312	9.6
73.02937	7.9
83.05025	7.2
85.02959	14.5
87.00902	6.1
89.02473	19.7
91.82939	5.1
93.03436	25.6
99.00888	5.3
99.04541	6.8
101.02470	13.5
105.00171	4.8
111.04517	23.9
113.02473	20.0
117.05608	11.7
119.03536	6.5
129.01990	8.4
137.02425	11.5
155.03555	16.7
161.04533	7.8
173.04578	49.9
191.05661	35.6
255.03587	9.8
279.10797	30.8
353.10693	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	353.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.7
57.00925	1.3
58.24809	1.3
59.01386	100.0
61.98815	2.3
63.87408	1.1
65.12665	1.1
69.50090	8.7
71.01393	21.8
73.00767	1.5
73.02957	4.8
81.03453	2.6
83.01411	2.5
85.02976	9.3
89.02434	4.0
95.01391	2.6
96.29355	1.3
98.21751	2.0
99.00903	3.1
99.04533	8.7
100.15214	1.3
101.02465	12.2
112.28907	1.6
113.02472	8.6
119.03546	1.7
143.03482	1.5
159.03006	3.1
161.04575	25.7
173.01654	1.7
190.97878	1.5
191.05634	4.4
192.96129	1.2
213.69382	1.4
221.10246	3.2
279.10831	3.7
298.30740	1.4
353.03381	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	353.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01702	2.0
71.01391	5.1
71.28629	1.2
73.02926	2.0
85.02957	3.0
87.00924	1.0
89.02461	1.2
91.73397	0.8
96.96014	1.5
99.00896	0.9
101.02467	5.5
113.02463	2.5
116.59142	0.9
119.05044	11.5
135.04572	1.0
137.12497	0.9
144.49458	0.8
161.04570	3.1
163.04025	7.4
189.11226	0.9
191.03549	3.2
191.05626	7.3
192.02998	0.8
195.78481	1.0
201.69356	0.8
259.02585	0.8
267.67987	0.8
293.16074	8.3
294.16412	1.0
301.90280	0.8
309.74146	0.9
311.18918	0.8
353.17120	7.6
354.17731	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2123
Annotation	Guayulin B
Peak:m/z	Relative Intensity
54.84317	0.3
57.74035	0.4
60.59089	0.3
64.14839	0.3
79.95742	1.1
88.14506	0.3
96.96018	5.2
98.22583	0.5
115.83287	0.3
163.11302	100.0
164.11639	6.0
177.09222	77.0
178.09563	4.1
190.10014	0.3
222.09001	0.6
230.22650	0.4
232.68103	0.3
310.38345	0.3
353.21234	96.5
354.21579	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	353.2336
Annotation	11,12,15-THETA
Peak:m/z	Relative Intensity
57.03448	11.1
59.01380	9.9
62.52818	2.4
69.03475	2.9
71.30375	3.1
71.30865	4.3
78.38263	2.6
79.34796	2.8
85.02957	35.9
99.08151	3.8
113.09778	3.5
119.86080	2.8
129.09221	3.9
139.11264	6.8
149.09724	5.4
167.10780	76.2
168.11116	4.5
195.10475	2.9
197.11850	6.1
230.78630	3.2
235.13344	5.9
243.42307	2.6
256.07465	3.9
317.21133	4.8
353.23373	100.0
354.23749	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	354.0678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21121	0.9
57.99902	0.9
59.01376	5.4
61.98837	100.0
63.52592	0.9
69.82657	2.9
69.83070	1.7
71.01362	2.6
85.02960	3.9
87.00889	2.4
89.02451	2.4
93.03458	2.8
98.22395	1.3
99.04502	2.0
101.02467	1.1
111.00892	3.9
113.02477	1.0
116.66223	0.9
129.01962	3.8
132.34610	1.0
181.94698	1.1
191.05551	1.3
225.77780	0.9
233.60075	1.0
238.20605	1.0
241.71841	0.9
281.00647	3.5
291.07111	2.8
294.75882	1.2
308.61246	0.9
312.30209	1.1
354.04504	1.0
355.12546	1.5
361.62881	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	5.6
59.01382	66.5
61.98831	6.8
67.23015	2.8
69.32527	15.1
69.32933	5.3
71.01394	41.4
72.99312	6.2
73.02935	4.7
83.01392	3.5
85.02960	8.7
89.02444	27.0
101.02449	26.3
113.02464	17.2
113.06115	7.3
119.03531	15.3
121.02967	10.9
121.18745	3.2
124.45448	3.1
124.93002	2.6
138.05614	7.1
156.06709	7.0
157.05096	9.3
161.04616	5.9
168.06688	7.9
181.05087	6.5
190.97954	3.0
191.05624	3.8
192.97699	7.0
193.05235	6.2
193.07184	29.4
194.95450	2.7
295.14172	3.6
318.11975	100.0
319.12253	5.5
355.12488	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	355.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	81.3
69.11954	100.0
71.01375	31.0
73.02940	34.2
79.59061	9.1
83.01379	17.1
85.02956	13.9
101.02440	67.6
101.64391	9.1
113.02470	22.3
126.99552	34.3
153.34943	13.1
167.06389	12.8
183.01974	12.0
211.05345	16.4
221.07500	10.9
225.06921	69.6
253.06371	35.5
350.69852	10.2
351.92896	12.2
355.19165	19.7
355.24844	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1038
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
59.01378	3.6
61.98835	4.2
70.66931	0.5
70.70081	0.5
71.01390	1.0
71.41837	0.7
85.02951	1.2
87.12882	0.6
93.03497	0.8
97.55912	0.6
101.02473	0.8
108.04579	0.8
121.02917	0.9
131.58739	0.5
133.02948	0.8
133.74963	0.6
134.03749	100.0
135.04034	3.6
137.02446	3.2
139.04027	1.2
147.04550	0.7
149.02390	0.7
149.06085	29.0
150.06491	1.3
151.03917	0.5
175.04016	1.1
176.98285	0.6
178.02718	19.9
189.12988	0.6
191.05608	0.9
192.05980	0.9
193.05057	92.2
194.05412	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	355.1039
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
62.85810	0.5
69.09320	6.0
121.02976	1.3
133.02963	1.6
134.03754	67.2
135.04071	3.1
137.02455	9.9
139.04030	2.8
149.06100	19.1
150.06410	1.0
172.99840	0.6
178.02727	37.9
179.03093	2.2
193.05074	100.0
194.05394	6.2
355.10123	0.7
360.07849	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	81.4
65.29215	11.7
69.17551	100.0
71.01405	38.7
80.79537	10.6
85.02989	13.7
89.02439	63.4
101.02451	30.7
113.02478	16.3
119.03545	34.8
161.04565	22.2
169.03636	14.8
179.05620	46.8
253.02739	12.8
264.51321	10.6
265.49500	11.3
270.67026	12.2
317.55075	14.3
360.34390	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	355.2281
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
52.57429	0.9
55.33694	0.9
57.07913	0.8
58.86024	0.9
60.96310	0.8
61.44587	0.8
64.83521	1.2
69.36163	2.1
69.36572	5.4
85.02956	1.3
91.54895	0.9
109.02972	1.2
111.00897	1.1
122.03759	5.8
127.07653	1.1
135.04543	22.6
136.01614	1.6
137.86505	1.0
147.08188	2.9
149.06010	1.6
149.09708	5.7
151.07651	3.5
154.02734	1.7
161.09760	6.0
163.07623	2.8
163.11304	39.8
164.08450	11.5
164.11633	3.1
165.09229	7.5
177.09230	44.9
178.09987	16.9
179.10788	57.6
180.11098	3.5
183.10294	2.8
187.11340	1.2
191.10818	10.6
193.08687	8.5
194.08237	1.4
220.39043	1.2
248.36670	1.0
298.12402	2.5
298.15762	48.9
299.16232	6.0
307.84872	1.0
309.22278	1.1
337.21765	35.6
338.22043	4.4
340.20456	68.9
341.20908	8.4
355.22806	100.0
356.18759	2.9
356.23032	14.2
373.47894	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	356.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86414	0.3
59.01382	2.8
65.30303	0.3
69.29441	2.6
71.01376	1.4
74.74966	0.4
83.05032	0.4
85.02954	0.6
89.02465	0.4
101.02499	0.6
106.06639	100.0
107.06971	3.3
108.08211	4.8
113.02427	2.1
118.06628	0.6
119.05055	0.5
120.08192	0.5
130.06584	1.0
130.08647	0.4
131.03793	1.5
135.04538	0.5
136.07706	0.4
146.06169	0.9
150.05623	56.4
151.05959	2.4
162.05521	0.8
164.07182	10.4
165.07635	0.4
174.05620	1.1
192.06686	7.9
193.06999	0.5
194.04599	30.0
195.04884	1.7
236.05687	4.4
296.07755	3.4
356.09897	6.6
357.10437	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0991
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
53.68929	0.2
59.01380	2.2
69.19082	0.3
69.29732	2.2
71.01367	1.2
83.12473	0.3
85.02952	0.9
89.02473	0.5
101.02448	0.4
104.05074	0.8
106.06633	100.0
107.06963	3.0
111.70670	0.3
113.02462	1.6
116.93027	0.3
118.06641	3.1
120.08179	0.9
131.03757	0.3
139.58725	0.3
146.06126	1.3
150.05615	80.8
151.05981	3.2
160.56146	0.3
162.05612	0.5
164.07175	13.7
165.07549	1.1
178.78099	0.3
192.06670	8.8
193.07027	0.6
194.04591	12.5
195.04922	0.4
236.05678	1.2
296.04584	0.3
296.07706	1.5
356.09903	4.4
356.14139	0.4
357.10541	0.4
367.67099	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.12
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.4
61.98832	100.0
64.66380	2.8
71.01379	5.4
72.97521	6.2
85.02984	2.3
89.02418	2.3
96.95982	2.8
98.21809	6.1
101.02431	4.2
131.07140	6.2
133.02957	5.6
134.03821	4.4
139.53401	2.3
139.80113	2.5
142.38979	2.5
149.02473	2.6
149.06114	2.4
151.04010	11.3
166.07826	2.7
177.01877	6.3
177.05431	2.7
192.38052	2.3
193.05074	2.9
194.05444	4.3
195.02972	3.1
293.12427	18.9
294.13077	2.4
347.59595	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45267	9.1
53.52995	7.6
61.98829	41.6
69.02150	100.0
83.88099	10.1
84.61630	10.1
98.21796	21.2
121.02992	9.5
127.56104	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	357.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.2
58.00608	1.2
59.01387	27.2
59.70459	0.9
69.03460	2.2
70.10369	3.6
71.01389	11.6
72.99306	1.4
73.02946	1.4
81.03450	2.0
83.01391	2.1
83.05027	2.7
85.02960	3.2
86.47221	1.0
87.00864	2.3
89.02464	12.6
91.04017	2.8
93.03484	2.4
95.05048	7.3
97.02961	7.9
97.06599	16.5
99.00851	1.4
101.02470	5.9
107.05046	1.6
109.06617	1.9
113.02475	4.9
115.00389	1.3
119.03547	4.6
119.05016	2.4
120.99637	0.8
121.06602	2.1
123.04497	1.0
123.08176	2.8
133.06618	8.9
133.10243	1.3
135.04526	1.2
135.08171	2.1
145.02959	1.1
147.04570	1.6
151.04062	1.4
151.11270	3.2
154.01422	1.7
157.01524	1.1
159.08215	1.4
164.60185	1.0
167.10782	1.8
175.02505	3.0
177.05594	11.7
177.09235	7.0
180.04298	3.4
195.06602	3.3
195.10289	100.0
196.10606	4.4
221.04588	5.8
221.08170	1.6
239.09290	7.5
261.04025	4.2
303.05188	2.5
313.12906	9.0
321.06171	4.8
357.11877	10.2
357.15219	1.1
357.19244	2.5
358.15308	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01723	1.4
64.84399	0.6
69.14928	6.0
71.01390	7.3
71.44535	0.7
73.02962	2.1
78.00800	0.7
83.01419	0.9
85.02969	3.3
88.53551	0.6
89.02429	0.8
91.00106	0.7
95.01405	0.8
101.02466	3.3
113.02489	2.5
116.74245	0.7
117.28378	0.6
134.05797	0.7
144.21367	0.6
161.04510	3.4
209.11934	1.0
281.91489	0.8
302.15701	0.7
327.25717	1.6
357.22672	1.9
357.26520	10.8
358.27011	1.6
369.78958	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01697	1.2
69.55785	5.3
71.01375	3.4
73.02941	1.4
85.02959	1.4
89.02455	1.2
92.44083	0.8
110.12613	0.9
113.02406	1.4
121.02949	3.5
161.04385	1.2
181.06577	1.3
225.05522	1.1
254.25676	0.9
357.10764	2.0
357.22864	1.3
357.26538	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	358.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	3.5
65.00552	0.6
71.01372	2.3
71.28911	0.5
71.29279	1.0
85.02960	1.2
89.02456	0.9
101.02457	0.8
107.05042	0.7
108.08204	100.0
109.08532	4.1
113.02469	1.4
120.08231	2.8
132.08211	1.7
134.03709	0.6
134.06049	0.7
135.04570	3.3
137.02455	2.0
148.07726	2.0
152.07182	75.0
153.07538	3.3
164.07187	1.0
165.05652	0.7
166.08751	15.8
167.09100	0.9
176.07140	1.3
189.18687	0.6
190.95877	0.5
193.05092	0.7
194.08247	7.8
195.08624	0.8
196.06160	53.7
197.06470	2.7
197.43021	0.6
238.07260	7.8
239.07471	0.9
298.09375	4.5
343.92953	0.6
358.11441	7.0
359.11926	0.6
359.21054	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	15.5
61.98813	7.0
68.85440	3.5
69.14346	3.9
71.01383	11.4
71.25005	4.3
71.27791	7.0
75.00887	6.6
82.03001	24.1
84.38997	5.0
85.02956	5.1
89.02451	6.1
96.04520	4.4
96.96048	7.4
108.04546	4.6
110.02486	78.6
111.00959	6.0
113.02462	7.1
122.06107	7.6
124.04050	18.7
135.04558	28.2
137.02481	11.6
150.05650	4.6
151.04022	4.8
152.03546	6.9
152.07204	29.7
161.02417	8.2
168.06677	17.7
178.05113	12.6
179.03490	5.8
192.06674	9.6
196.06160	100.0
197.06400	6.5
210.07777	15.5
237.15605	5.0
238.07237	17.9
239.05484	6.1
268.08221	7.1
278.42914	5.0
359.10037	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	358.151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.6
57.03455	1.5
58.00604	2.4
59.01387	46.0
60.01727	0.6
60.50479	0.2
69.03459	0.3
71.01390	31.8
71.29205	0.3
71.29604	0.3
72.01724	0.4
72.99318	3.1
73.02957	5.6
75.00891	0.5
81.03484	0.4
83.01394	5.2
83.05045	1.0
85.02959	11.2
86.00117	1.6
87.00896	2.0
88.01685	0.6
89.02457	18.0
95.01404	2.7
96.95982	0.3
97.02968	0.4
99.00904	2.5
101.02454	25.4
102.02812	0.7
111.00890	1.3
113.02460	11.8
114.02823	0.6
116.01163	0.3
119.03510	7.0
125.02483	0.4
131.03522	0.8
133.61589	0.2
135.04541	0.4
137.02464	0.5
139.00465	0.3
141.64398	0.2
143.03511	1.2
149.04608	0.4
159.03033	0.3
161.04573	1.3
178.04811	0.3
179.05635	1.2
180.10323	4.0
194.11816	0.4
196.09793	1.2
211.08458	0.3
238.10907	1.9
268.11960	1.3
298.12970	4.7
299.13400	0.4
331.08948	0.3
336.74487	0.3
358.15097	100.0
359.08630	0.4
359.15451	10.2
364.28098	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04403	27.0
52.15595	30.2
53.11340	26.4
55.74166	25.5
55.81479	29.2
67.05827	30.0
69.44456	100.0
69.44865	97.4
76.68196	31.4
80.81207	28.2
88.46384	32.3
92.77781	32.9
98.63206	30.0
128.77493	30.1
153.48460	32.8
197.18787	38.4
217.93880	28.2
227.67242	31.5
299.18515	42.1
315.00949	48.9
317.19525	40.2
336.28143	30.7
358.01758	38.6
359.15198	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	89.6
60.01725	1.1
70.69646	1.7
90.97150	1.0
113.41662	0.6
118.96732	0.9
125.26062	0.5
132.98196	2.2
157.03595	3.2
159.01450	0.9
174.99265	21.7
176.89276	0.7
177.91673	0.6
180.08136	0.5
201.02557	26.5
202.02748	2.4
217.00307	100.0
218.00702	2.9
249.89163	0.5
257.70612	0.7
359.01801	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	95.2
60.01702	0.8
66.13702	0.7
69.03443	0.9
71.01383	12.3
71.28133	0.9
71.28486	0.8
72.99302	3.0
73.02957	0.8
74.99368	3.4
75.32363	0.7
76.44556	0.7
82.99921	0.9
83.01404	3.2
85.01452	4.4
85.02954	3.1
87.00903	0.9
89.02416	4.3
90.97172	1.6
94.02995	1.7
97.02951	5.8
98.99400	0.9
101.00964	15.2
101.02434	3.9
102.98888	8.2
109.02961	1.1
111.03055	0.7
113.00977	1.6
113.02456	3.6
115.04019	1.5
117.00455	45.1
118.00566	2.9
119.03557	1.4
125.00970	3.1
125.02430	3.6
126.98902	2.3
127.02514	2.3
129.00424	1.9
129.04095	1.2
130.98370	1.1
132.98204	1.8
135.04541	8.1
136.04871	0.8
136.07669	1.1
137.02336	1.0
138.01994	4.7
139.02528	3.1
141.00462	14.6
144.99940	6.1
151.00360	1.1
151.02531	1.4
153.00455	4.4
153.01949	11.4
153.04065	0.7
153.05457	0.9
155.02057	6.2
157.03534	4.2
159.01515	1.0
159.98619	1.2
167.01997	1.2
168.99980	2.0
169.03616	0.8
171.01500	4.6
174.99265	22.2
179.03479	1.4
180.06744	0.8
181.03661	4.0
183.01518	2.1
185.03151	1.1
195.01512	5.0
197.02994	0.9
197.04555	3.2
201.02565	31.7
202.02739	3.2
207.01445	0.9
216.84785	0.8
217.00308	100.0
218.00690	2.6
226.57080	0.8
236.97879	0.8
238.97322	1.1
239.04150	1.9
256.98386	1.0
261.04715	5.3
277.09372	1.1
298.99344	3.7
299.06195	39.6
300.06543	6.0
316.10455	1.4
359.01511	2.7
359.09076	1.3
360.12943	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	359.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53778	1.5
57.82191	1.5
58.99863	2.5
59.01386	100.0
68.83856	1.5
69.03484	1.7
71.01392	19.2
71.27625	2.0
71.78806	1.7
72.99329	2.5
73.01448	1.5
74.99377	5.5
83.01406	4.2
85.01456	15.1
85.02960	4.2
86.99406	2.0
87.00894	2.8
89.02455	8.2
90.97102	1.5
94.02979	1.5
97.02960	10.2
98.19303	1.3
98.99416	2.6
99.00912	2.1
99.39232	1.3
101.00963	46.6
101.02455	3.4
102.01071	3.2
102.98873	13.6
111.00895	2.5
111.03044	2.0
112.71136	1.5
113.00944	3.5
113.02453	2.7
114.98906	1.5
115.03966	1.6
117.00457	97.6
118.00523	7.7
119.03486	2.0
123.03063	2.3
125.00971	7.9
125.02467	6.1
126.98888	5.2
127.02522	7.7
129.00459	3.2
130.98428	1.8
131.45735	1.4
132.98175	2.4
135.04549	8.8
138.01991	2.2
139.02515	7.3
141.00461	39.0
142.00613	3.5
143.02031	2.2
143.03586	1.5
144.99959	15.1
151.00392	1.9
153.00467	9.6
153.01860	11.7
155.02026	8.1
157.03566	5.6
159.98645	2.8
167.02014	3.7
168.99960	2.9
171.01549	10.6
174.99237	16.6
179.03352	1.6
181.03558	9.6
183.01505	6.4
195.01523	11.6
196.01633	1.9
197.02982	1.7
201.02563	41.4
202.02673	4.7
217.00311	95.7
218.00697	3.4
225.63399	1.5
239.04228	3.3
261.04739	12.7
269.05130	2.1
298.99271	4.3
299.06232	62.0
300.06467	6.5
316.10480	3.3
359.01804	2.7
359.08450	1.4
360.12863	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	359.0989
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
58.00581	1.1
59.01386	28.1
68.99126	2.6
68.99541	7.9
70.39153	1.0
71.01389	15.1
72.99316	83.3
76.82166	0.8
81.02199	2.1
83.01409	1.1
85.02957	5.7
87.00878	1.6
89.01942	1.6
89.02455	18.0
90.27267	0.9
94.02988	4.4
95.01383	1.8
95.03786	2.6
98.02472	2.1
98.22543	2.2
101.02455	10.4
102.05639	1.1
107.05035	2.1
109.02969	1.9
110.02443	1.2
112.04053	3.0
113.02473	9.8
119.03510	7.0
121.02950	1.7
123.04539	26.5
134.03754	2.6
135.04541	53.9
136.03999	2.2
136.04938	1.9
136.07715	8.1
137.02417	1.6
143.03424	1.0
151.03995	2.7
153.00706	1.9
154.01474	5.0
164.04810	4.9
174.99257	1.3
179.03517	49.5
179.07022	5.2
180.03911	1.8
180.06622	5.1
197.04570	100.0
198.04243	3.0
198.04579	2.8
198.07736	3.8
201.02635	1.4
217.00380	4.8
229.81712	1.1
257.27359	1.0
294.60730	1.1
359.09866	69.9
360.05682	1.9
360.09775	4.1
360.13785	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	359.135
Annotation	Yuheinoside
Peak:m/z	Relative Intensity
55.01875	3.2
57.03432	3.0
59.01379	58.2
61.98818	3.2
69.19537	12.4
71.01031	2.6
71.01389	36.3
72.99268	2.2
73.02953	8.6
74.26923	1.7
83.01382	5.0
85.02949	15.4
87.00877	4.2
89.02445	17.0
95.01408	3.1
99.00874	2.5
101.02443	25.2
102.02782	2.0
102.68147	1.8
108.02138	2.0
109.02962	2.5
113.02457	17.3
119.03505	7.8
121.02964	4.2
122.03751	11.3
123.04530	4.5
133.02914	3.7
134.03748	2.0
135.04538	100.0
136.01654	3.4
136.04866	5.3
137.02446	53.0
137.06024	3.0
139.71173	1.7
139.94453	2.0
144.04521	1.7
149.06076	5.5
153.05554	2.0
157.86330	2.2
159.03033	2.1
161.02493	17.5
161.04553	10.7
163.03989	2.4
175.03978	3.5
177.05557	7.5
179.03503	17.6
179.05043	2.2
179.05562	1.6
179.07072	3.9
182.05829	18.4
197.08194	65.7
198.08466	2.8
203.03560	10.1
215.72998	2.1
217.00278	2.7
221.04413	3.1
228.74391	2.1
239.05661	8.6
251.05611	6.3
281.06613	6.2
281.20325	1.7
299.11453	3.4
341.08759	2.2
359.09323	2.8
359.13428	28.7
360.13687	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	359.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40500	1.3
57.03463	2.0
57.67841	1.7
59.01382	18.1
64.59060	1.4
71.31501	1.7
80.48340	1.7
83.05030	2.8
90.77604	1.9
99.08163	6.2
113.09744	2.5
125.09688	2.5
127.11256	1.5
133.02966	1.8
135.04489	3.1
137.02461	1.7
160.01659	2.6
170.40245	1.9
175.03857	1.7
209.19096	2.3
210.03940	1.7
219.17540	4.1
237.18596	19.5
253.18091	5.2
255.19662	100.0
256.20093	11.1
271.19168	23.0
272.19461	2.3
281.17581	7.0
299.18649	73.3
300.18985	6.5
317.19708	72.5
317.23526	2.7
318.19928	6.3
359.11407	1.9
359.20807	35.6
359.28070	1.7
360.21121	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	360.0576
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51997	0.7
56.11494	0.7
59.01376	5.8
64.61551	0.9
65.99849	0.8
71.01379	2.1
71.27798	1.3
85.02969	1.7
101.02454	1.7
113.02475	1.6
115.92072	0.8
119.05038	6.4
123.00877	5.4
124.01667	9.3
134.86682	0.7
153.00691	6.7
154.01477	100.0
155.01778	2.2
163.02823	1.1
163.04041	7.5
174.99258	1.5
182.99312	1.5
196.99681	2.7
198.00273	1.6
202.98746	2.3
217.00339	1.5
250.26009	0.8
264.27319	0.8
316.10529	0.8
360.05762	52.7
361.06754	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	360.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.2
67.96541	0.6
69.03455	0.6
69.82666	0.6
70.26096	1.3
71.01041	0.6
71.01376	4.3
72.38086	0.6
85.02946	1.7
87.00893	0.9
89.02447	2.9
95.01411	0.7
95.05016	0.6
95.27569	0.6
101.02448	2.6
108.02177	8.3
113.02466	1.6
119.03461	1.0
121.02973	1.0
135.04553	1.5
136.04831	1.1
137.09731	1.1
138.01984	100.0
139.02319	4.0
143.07149	1.3
148.04042	0.8
151.02667	0.7
154.24007	0.6
173.04628	0.6
179.16315	0.6
179.34372	0.7
181.08685	1.2
188.09296	1.2
192.02864	0.7
199.09766	1.5
212.10825	0.9
212.78429	0.8
255.11382	1.3
329.14038	0.7
343.09418	1.2
360.16702	1.8
361.15012	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	360.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.6
59.01384	20.7
64.31826	1.8
70.63052	4.0
71.01389	12.9
78.08265	1.7
82.06671	1.8
83.01385	5.1
85.02974	8.6
87.00869	3.3
88.04052	4.1
89.02451	8.6
94.03005	4.7
96.04563	2.1
98.02486	29.4
98.06133	5.2
101.02468	5.9
108.04557	1.8
109.01695	1.8
110.02481	4.6
113.02464	5.0
114.01997	2.3
117.05578	5.1
119.03442	3.5
119.05060	3.2
123.00904	6.8
124.01670	7.0
124.04040	3.6
125.01189	3.3
126.01988	13.5
126.05625	10.7
136.07698	5.0
140.03558	10.0
148.15382	1.6
152.03514	3.8
152.07170	2.5
153.00722	9.1
154.01486	92.3
154.05115	20.7
155.01839	1.8
163.04065	5.4
164.98311	2.0
168.03038	5.9
170.04608	15.0
174.99377	2.8
180.06731	2.8
187.38164	1.9
196.99663	2.7
197.03319	2.5
198.04097	100.0
199.04440	5.9
202.98798	4.4
212.05618	8.6
217.00339	2.8
240.05168	8.3
252.05276	2.3
279.10901	9.4
287.56342	2.0
300.07306	2.8
360.05780	54.4
360.13010	4.2
361.06790	5.3
378.05804	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	360.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.2
57.03450	3.0
58.00593	2.8
58.67410	1.8
59.01387	71.5
60.99303	2.1
70.79984	4.8
71.01391	48.5
72.99300	3.3
73.02947	11.3
83.01392	10.4
85.02960	20.5
86.00106	2.8
87.00880	2.7
89.02457	34.0
92.05064	2.7
94.02985	6.2
95.01399	4.6
95.03775	5.1
99.00887	5.3
101.01812	3.0
101.02456	44.4
102.05641	3.1
110.04061	1.9
112.04017	3.3
113.02458	16.8
119.03476	9.2
125.62045	1.8
131.03426	2.0
135.20915	1.8
136.03983	2.3
136.07687	14.9
138.05659	5.1
141.85034	1.6
143.03461	2.7
154.05125	2.4
161.04578	6.0
163.03989	3.1
166.59219	1.8
179.05675	3.8
180.06673	6.8
182.50917	1.7
196.06232	2.3
198.07718	6.2
217.00301	4.4
256.08194	5.1
298.12823	4.3
316.10397	100.0
317.10788	8.2
325.00330	2.2
360.13031	77.7
361.13428	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	360.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13914	4.2
59.01391	84.3
70.48021	9.0
71.01390	54.8
72.99322	10.6
79.00694	4.0
81.02227	8.7
85.02946	15.4
89.02451	55.2
94.02993	100.0
95.03265	5.3
95.03791	16.5
96.04580	4.6
101.02432	27.1
102.05601	8.7
111.00959	4.8
112.04047	18.6
113.02456	18.1
116.14448	3.9
117.05596	9.3
119.03458	23.4
136.04840	6.3
136.07695	62.3
137.07962	4.0
151.03995	4.5
154.01508	8.0
165.52222	4.5
179.05615	7.7
180.06674	85.9
181.06943	6.8
197.04478	6.0
198.04326	6.6
198.07701	22.6
202.98669	6.1
211.87004	4.2
279.10968	10.3
301.08939	14.8
360.06076	5.7
360.13211	79.2
361.13629	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	361.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	24.3
68.05244	1.1
70.81870	1.2
70.82189	2.4
71.01387	18.9
72.99315	1.4
73.02933	2.5
81.22626	1.2
83.01367	1.5
83.92289	1.2
85.02947	7.1
89.02448	11.4
95.01402	1.4
96.84064	1.1
97.02982	1.7
98.96523	1.1
101.02453	9.3
113.02475	9.3
117.03463	15.9
119.03606	2.9
119.05035	33.5
120.99665	2.9
123.39001	1.1
124.57877	1.1
131.05054	1.6
133.06587	3.8
137.09703	3.2
140.07191	2.7
145.02962	100.0
146.03328	5.2
158.03711	2.2
159.04535	10.5
161.04704	2.0
161.06091	9.7
163.04021	25.8
173.06033	1.7
177.05621	2.9
181.08688	1.2
182.08141	1.9
186.53592	1.2
187.04018	57.8
188.04330	3.2
205.05049	9.6
217.05032	5.8
235.06137	4.3
254.51773	1.2
265.07196	8.7
307.08276	4.0
325.09283	32.1
326.09607	2.5
361.10410	3.1
361.14929	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	361.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	17.0
59.44221	4.4
65.40849	4.1
66.98148	4.2
69.57918	15.3
69.58330	10.8
71.01386	8.4
71.72572	4.7
72.58023	4.0
81.56792	4.2
98.21714	5.3
101.02470	5.3
113.02430	6.4
119.05035	81.1
119.56858	4.8
146.76746	5.1
163.04028	100.0
169.18480	4.7
185.99562	4.2
202.98805	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	361.0697
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85687	1.4
59.01382	24.3
69.38686	3.0
69.39101	7.2
71.01373	5.2
74.74628	1.6
85.02969	2.9
89.02431	3.2
101.02444	4.1
113.02464	2.3
119.05035	89.0
120.05369	3.9
140.07213	12.9
163.04021	100.0
164.04369	4.8
181.08672	2.6
181.75168	1.6
203.68063	1.7
204.77287	1.6
213.55652	1.6
325.09344	5.2
361.10910	1.4
361.14905	10.2
361.91949	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	361.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00807	8.3
59.01381	28.4
60.06009	11.2
69.36123	65.9
71.01388	18.4
75.77450	8.6
83.88154	8.2
87.00892	12.8
89.02431	16.4
98.22548	10.0
110.11078	9.1
119.05057	96.4
147.13142	8.7
157.74095	8.3
163.04068	100.0
170.90677	9.7
199.04375	11.2
203.77100	9.5
231.11508	9.9
301.07724	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65098	1.2
57.03468	1.5
59.01389	12.4
71.01380	9.0
71.05054	1.5
73.02946	2.1
74.99097	1.7
83.39346	1.3
85.02949	3.4
89.02449	4.6
95.05060	1.6
96.13026	1.5
101.02467	5.3
102.22768	1.4
104.05091	2.3
106.06628	2.9
113.02467	3.7
117.03493	1.4
117.07087	1.2
119.03531	2.0
119.05021	3.1
120.99648	2.1
122.06146	3.6
124.47875	1.1
132.04582	3.1
137.09744	6.5
137.10701	1.4
145.02965	6.8
148.07730	2.8
148.81371	1.4
159.05646	2.1
161.04790	1.4
162.05650	1.9
163.03996	2.5
167.67137	1.4
169.08907	1.2
170.09732	2.0
171.06950	1.9
175.08734	2.8
182.06133	6.8
183.06880	2.2
186.09280	3.3
187.04056	3.7
196.07741	2.3
197.08580	3.0
199.08714	3.3
210.09340	1.7
212.10828	52.5
213.10361	9.6
225.06677	8.7
226.07463	11.5
227.08279	3.1
229.09854	4.4
239.08281	4.3
240.09119	9.8
255.11406	100.0
256.11703	10.2
281.09293	4.5
299.10385	21.6
300.10931	3.1
325.09344	2.9
343.05136	3.2
343.09344	61.0
344.09708	6.4
358.81323	1.4
361.05884	3.2
361.10486	62.9
361.15079	8.3
361.22443	4.1
362.10803	5.6
362.15298	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	361.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.4
71.01390	2.3
85.00760	1.5
94.65440	1.5
96.04560	1.7
101.02411	1.9
130.26030	1.6
132.04558	3.4
139.80112	1.4
170.06024	1.7
171.06912	6.7
182.06087	1.7
185.50739	1.6
186.09250	100.0
187.05121	3.5
187.08737	4.3
199.05142	2.1
201.10298	2.3
202.08792	1.6
212.10815	9.5
213.06700	1.9
214.07605	2.6
228.97505	2.0
229.09814	79.2
230.10143	3.7
255.11407	12.8
273.08813	98.5
274.09265	7.8
299.10364	24.0
300.10654	3.0
301.08337	5.5
343.09363	3.4
361.10403	33.1
362.10880	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84481	0.8
59.01393	4.6
69.28681	1.9
69.29102	4.0
71.01395	1.4
71.95740	0.8
72.99318	1.4
96.04564	2.5
101.02423	1.1
104.05076	0.7
106.06683	1.0
122.06116	2.0
132.04573	8.5
133.05322	2.2
134.06169	0.9
135.04581	1.3
138.05630	7.9
139.05994	5.2
143.07451	1.1
145.05397	1.0
156.56932	0.7
165.04306	3.8
170.06052	1.1
171.06895	6.6
173.07222	1.5
182.06151	0.9
183.06927	1.3
186.09267	100.0
187.05197	5.5
187.08556	10.8
188.09108	0.8
199.05139	2.1
201.10359	2.0
202.08757	3.2
211.08836	1.8
212.10837	11.4
213.06717	3.0
213.10414	2.4
214.07452	2.5
225.06793	1.3
226.07329	0.8
228.10393	1.0
229.09845	75.5
230.10187	6.3
240.09026	0.9
255.11414	13.0
256.11786	1.3
257.09055	0.7
261.49249	0.7
273.08835	93.9
274.09143	9.0
283.79196	0.8
299.10422	30.3
300.10751	3.6
301.08371	5.9
343.08893	1.3
361.10330	7.1
361.22211	0.9
362.10220	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.1
58.42748	2.5
59.01385	49.3
63.90172	2.6
68.99812	3.8
71.01393	16.7
71.29514	5.6
73.02949	7.2
74.24249	3.0
76.82353	2.6
80.05077	4.2
83.05037	3.7
85.02957	10.8
87.00885	2.9
89.02444	8.3
96.95971	3.5
101.02454	9.0
102.74686	3.0
104.05067	23.3
111.04536	16.6
113.02457	7.4
119.03506	2.8
121.05381	3.9
122.06144	11.4
124.07648	4.8
124.26119	2.7
135.08186	4.0
136.07750	3.6
137.09737	29.0
140.02158	3.4
146.04851	11.3
146.05925	2.6
148.04059	93.0
149.04362	3.4
153.04375	4.2
155.10786	46.2
161.07216	33.0
162.05540	4.3
168.06560	3.1
173.22983	3.6
181.08582	3.4
183.06816	3.5
186.09174	4.0
192.03033	81.1
199.09796	100.0
200.10170	5.1
212.10814	56.3
213.10524	6.9
224.06099	3.0
225.06743	6.5
226.07495	8.4
231.11359	3.3
239.08188	3.3
240.09048	8.8
241.08672	3.5
255.11417	90.2
256.11658	8.4
273.12387	10.4
299.10361	18.8
301.16599	8.1
317.11417	4.0
319.17871	5.0
319.21313	10.2
325.91257	3.0
343.09402	68.2
344.09915	5.2
361.10263	23.8
361.18616	26.8
361.22482	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	361.1507
Annotation	Gibboside
Peak:m/z	Relative Intensity
57.03456	3.5
59.01392	1.9
62.30978	0.4
71.01382	1.4
71.30116	0.5
71.30507	0.6
73.02942	1.0
83.05035	2.3
85.02976	1.0
95.01419	0.7
97.35310	0.4
97.87460	0.4
101.02460	0.6
104.05076	1.3
113.02468	1.5
121.05448	0.4
122.06151	0.5
127.10679	0.6
135.08168	1.0
137.09738	22.9
138.10083	1.5
148.04053	5.2
155.10802	8.2
156.11101	0.5
164.23814	0.5
165.05571	0.4
181.08708	4.9
182.06102	0.7
185.11786	0.7
192.03065	4.1
196.14244	0.4
199.09775	100.0
200.10114	6.2
205.95157	0.4
212.10817	3.0
213.11429	2.2
241.10834	2.2
255.11438	5.2
256.11615	0.5
299.10382	1.0
343.09390	3.3
361.10184	0.8
361.18607	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.6
56.79425	0.5
57.03459	0.8
58.00590	0.6
59.01093	1.2
59.01383	16.7
69.03461	0.5
71.01389	15.4
72.99309	1.7
73.02953	4.3
83.01393	4.8
85.02956	7.5
86.00138	0.6
87.00883	0.9
89.02475	2.9
95.01387	1.6
99.00881	1.5
101.02451	8.6
111.00927	0.6
113.02465	4.3
129.01874	0.6
152.99612	1.2
155.59953	0.5
182.80859	0.5
199.13416	9.1
209.11908	1.5
223.89763	0.5
343.17636	1.9
361.18704	100.0
362.19019	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	362.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59524	1.1
59.01383	100.0
61.80947	1.0
61.99692	1.1
70.10776	3.6
71.01381	9.7
72.99251	1.0
73.02935	1.9
85.02953	3.5
89.02454	6.5
95.01385	1.2
101.02452	7.4
102.96192	1.2
113.02453	3.5
119.03529	2.6
119.05032	30.2
120.05339	8.3
120.99630	1.4
125.06017	1.2
134.03780	2.1
134.06047	1.1
134.25958	1.0
140.07181	72.9
141.07558	1.9
154.45232	1.1
163.04015	30.0
164.04378	10.3
178.05132	3.8
189.01669	1.3
200.99631	4.3
201.01698	5.8
201.11383	2.2
239.68608	1.1
242.05827	2.0
243.07739	3.5
275.10306	3.4
337.16748	1.2
344.11743	1.2
362.09866	3.0
362.15262	4.1
363.11780	3.0
363.16507	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	362.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07655	14.5
59.01389	34.9
61.98830	35.4
63.94481	100.0
64.95254	13.1
67.86238	13.3
71.01373	18.0
71.29542	20.0
74.64562	14.3
74.99088	50.5
96.96027	22.1
100.27071	17.3
113.02461	18.8
113.73609	14.4
115.05299	14.9
119.05083	13.6
120.99674	49.8
152.96844	27.9
170.15990	16.9
184.19366	15.5
321.17172	30.8
362.18631	21.1
363.20187	55.5
373.86038	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	363.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85699	0.6
59.01399	3.0
63.94470	100.0
63.96236	5.8
64.94415	0.7
64.95252	13.7
70.33807	2.0
71.01383	0.8
73.02973	1.0
73.98335	1.7
74.68661	0.5
74.99104	57.7
87.00882	2.7
102.17216	0.6
120.99669	53.6
122.00047	1.3
133.10255	0.8
135.11848	1.6
145.33206	0.7
147.11832	1.3
151.96101	18.4
152.96875	20.6
157.45058	0.6
167.09030	1.3
176.27837	0.5
179.09082	2.3
192.06987	0.6
209.11861	11.2
210.12167	0.7
211.08047	2.4
223.08022	2.3
241.09393	0.7
243.10556	4.5
275.08032	0.6
321.17282	0.6
339.79074	0.6
363.09369	8.6
363.13425	0.8
363.20526	1.3
364.09879	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0993
Annotation	10-Hydroxycamptothecin
Peak:m/z	Relative Intensity
57.50380	1.0
57.64362	1.0
59.01377	4.8
62.79045	0.8
63.72071	0.9
71.01375	2.3
71.02188	1.6
71.02520	1.6
85.02955	2.2
93.03468	2.4
94.85812	0.9
117.03468	1.5
131.03792	6.0
132.04576	1.2
144.04579	2.1
145.03975	1.1
173.04529	1.6
178.63934	1.0
183.05582	1.9
194.06076	1.5
207.06879	1.1
208.05869	1.2
208.07591	6.1
211.05170	4.3
218.06184	1.7
219.06821	1.0
220.07693	6.8
235.06288	5.0
236.07182	39.2
237.07538	3.7
246.05486	1.2
247.06390	12.8
248.07178	40.6
249.07507	4.0
251.49767	1.1
263.08356	1.9
264.06720	10.9
291.07767	100.0
292.08060	10.1
319.10995	4.3
363.09900	57.4
363.19058	1.8
364.10263	8.0
388.40829	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26291	5.7
55.16880	4.7
57.03451	16.8
57.34785	4.9
58.17421	5.0
59.01382	76.8
63.96231	13.8
70.08348	19.0
71.01387	60.9
72.99318	24.1
73.02956	8.8
74.99100	18.4
83.01401	8.5
85.02969	20.4
86.61747	4.6
89.02443	33.0
97.06657	7.2
99.00879	7.4
101.02453	100.0
113.02476	21.9
117.97327	11.8
119.03495	12.4
119.05045	18.4
121.97641	4.7
128.68459	5.3
133.10260	44.8
134.06227	4.8
135.98401	16.0
136.99187	8.1
139.07622	7.1
141.98303	15.5
143.07144	5.7
146.14226	5.1
157.00594	7.0
161.04561	9.7
163.04059	15.7
178.47383	5.1
181.12320	10.7
200.99648	35.3
201.01485	8.9
201.07750	10.9
201.11305	13.6
206.59995	4.5
225.11371	17.0
243.12415	98.6
281.62885	5.0
363.12384	10.3
363.16675	69.7
364.16977	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	363.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.5
58.00589	2.6
59.01384	100.0
64.29095	1.1
69.16685	10.9
71.01388	40.4
71.05033	1.3
72.59855	1.2
72.99306	3.3
73.02950	4.9
81.56115	1.3
83.01416	2.6
83.05023	3.6
85.02956	12.8
87.00864	2.7
89.02451	40.6
95.01405	3.1
99.00897	2.8
101.02456	26.6
113.02471	14.5
117.03495	2.2
119.03526	18.3
119.05044	2.3
120.99663	1.5
123.08154	1.9
124.07679	1.2
127.19675	1.4
139.11295	2.5
143.03499	1.7
145.03000	7.5
161.04568	5.2
163.03993	2.9
165.09143	1.9
179.05640	7.8
183.10268	23.6
184.10623	1.9
186.81837	1.2
187.04037	5.7
201.09720	1.2
201.11383	4.4
206.65683	1.2
227.04462	1.1
257.12585	1.5
280.12405	1.3
295.88379	1.4
325.09198	4.3
345.15591	3.1
363.16623	83.1
364.16956	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	363.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14589	1.0
50.57853	0.9
57.03445	1.5
59.01392	10.4
69.56757	3.3
69.57166	2.6
71.01389	8.8
72.99311	2.1
73.02954	100.0
74.03281	1.1
83.01379	1.6
85.02953	2.2
89.02435	2.7
98.22395	1.4
101.02451	4.1
113.02452	2.1
119.57112	1.0
183.13866	2.9
201.14978	6.9
210.48071	0.9
245.45642	0.9
363.20300	34.5
364.20679	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	365.109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91931	0.5
53.43565	0.4
55.01866	0.6
59.01383	35.7
68.99811	0.9
69.59592	3.0
71.01395	5.4
81.03452	1.2
83.01373	1.4
85.02953	2.1
87.00884	0.7
89.02454	4.8
93.03487	0.8
95.01388	0.8
99.00883	0.6
101.02464	2.9
109.02949	1.2
111.00904	3.2
113.02448	5.1
116.05094	3.0
119.03493	1.6
123.04504	0.5
125.02495	1.0
137.39128	0.5
143.03517	6.3
152.01163	0.6
153.01941	1.4
160.04047	100.0
161.04550	1.2
167.03519	2.5
179.05644	0.6
185.04535	1.0
202.45570	0.5
204.03058	4.6
208.05919	0.6
232.28096	0.5
365.05447	5.2
366.08337	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	365.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58150	4.5
59.01391	27.6
71.01389	11.6
73.02949	9.1
75.00887	5.6
81.03472	5.3
83.01387	11.9
86.02506	7.4
91.45439	4.4
96.96066	5.9
98.22537	11.5
109.02975	37.3
112.00442	8.0
117.03506	13.8
119.05045	69.9
120.05422	5.4
120.99699	6.2
121.02991	6.5
131.03763	8.5
132.04581	17.5
133.02925	5.3
134.03717	28.5
135.04539	10.6
136.01688	51.5
137.02516	39.7
144.04544	10.9
145.02969	100.0
146.03259	5.8
151.03990	16.1
157.07739	67.0
158.06084	7.3
158.08073	5.4
162.05600	7.4
163.04045	6.5
177.01904	9.6
201.06667	6.3
219.07765	72.6
228.65640	5.6
233.08212	8.1
246.34940	5.3
277.13190	6.1
278.08328	7.2
321.12613	6.3
365.11472	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98668	29.2
59.01391	49.3
71.31646	59.1
83.05019	28.1
96.09972	31.6
96.96027	100.0
97.91310	30.5
103.61912	40.0
119.05086	33.6
129.17323	30.4
135.04495	34.6
210.03317	33.4
275.09427	48.6
315.37134	36.8
335.52264	31.8
363.03104	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52583	0.8
55.01886	1.4
57.03444	1.8
58.00583	1.0
59.01384	100.0
59.18831	0.9
60.01706	1.6
61.98833	1.0
65.17649	0.9
67.04830	1.0
69.03480	1.1
69.64019	5.3
71.01389	19.0
73.02950	6.6
74.74165	1.0
83.01389	6.5
83.05025	1.0
85.02954	7.2
89.02456	10.9
95.01399	2.1
97.69622	1.1
99.00893	2.2
101.02443	16.6
111.00885	11.7
113.02475	10.1
119.03515	3.4
125.02452	1.2
129.01936	1.1
143.03500	9.1
144.04657	1.5
156.75156	0.9
159.03067	1.5
160.04071	1.4
161.04555	9.0
170.29451	0.8
179.05664	2.0
203.12914	2.4
305.12338	2.2
322.41119	0.9
342.74594	1.1
365.14578	1.7
365.18295	12.0
366.18549	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82767	0.4
55.01874	1.3
57.03462	1.0
58.00607	1.2
59.01386	100.0
60.01743	0.6
60.82651	0.6
69.57529	3.1
71.01392	21.1
72.99340	1.4
73.02947	5.1
83.01412	2.1
83.05058	0.9
85.02964	6.1
85.88842	0.5
87.00883	2.5
87.04495	0.6
89.02455	16.4
89.41315	0.5
94.12300	0.5
95.01410	1.2
96.95989	0.6
97.06636	1.0
99.00932	1.2
101.02453	15.2
113.02460	8.9
115.07682	0.7
119.03508	7.3
119.04969	0.7
121.03032	0.8
129.09268	0.9
138.25912	0.5
141.09262	1.2
143.03577	1.6
143.07162	1.4
157.08867	0.5
159.03001	0.6
159.10313	3.7
161.04581	7.3
179.05624	3.4
185.08315	1.1
203.09283	1.4
203.12907	2.7
212.50607	0.5
365.13654	0.9
365.18167	16.2
366.18744	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	365.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.5
57.03442	2.5
58.00580	1.9
59.01382	100.0
60.01718	1.7
69.37726	1.6
69.38136	3.9
69.82620	0.8
71.01384	56.5
71.05030	0.8
71.66444	0.7
72.01733	1.2
72.99291	2.4
73.02948	13.9
83.01390	6.7
84.91375	0.8
85.02959	22.1
87.00890	3.8
87.04513	2.0
89.02448	38.7
91.23558	0.8
94.07889	0.7
95.01443	3.8
97.02939	1.4
97.06583	2.3
98.21861	1.2
99.00877	4.2
99.98668	0.8
100.47023	0.8
100.94983	0.7
101.02451	42.6
102.02779	0.8
103.02845	1.0
103.87514	0.7
110.32409	0.7
110.62527	0.7
113.02459	22.4
114.40391	0.7
115.07678	1.0
119.03514	16.1
119.04957	1.7
121.02991	0.8
125.02446	1.1
129.09238	0.8
131.03513	1.3
131.49905	0.9
141.09222	1.1
143.03500	3.4
143.07155	1.0
149.04561	1.2
159.02994	2.9
159.10295	1.0
161.02463	1.1
161.04567	19.7
179.05615	5.5
185.08229	0.8
203.03436	0.8
203.09258	1.4
203.12854	7.0
365.14023	1.5
365.18149	39.3
366.18527	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	365.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18013	0.6
54.77961	0.6
55.03580	0.8
59.01386	100.0
60.01721	1.6
62.28358	0.7
69.27663	5.4
71.01389	12.0
72.99310	1.1
73.02963	2.5
74.47045	0.7
74.67851	0.9
83.01420	1.3
85.02963	3.7
87.00914	1.8
89.02452	11.9
95.01398	0.9
98.22478	1.7
99.00954	0.9
101.02463	8.4
101.06210	0.7
113.02462	4.1
119.03503	6.6
159.10352	4.5
161.04666	2.5
179.05753	2.1
203.12956	1.7
305.16272	0.8
347.17725	0.8
365.18240	12.2
366.18661	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	365.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94833	1.0
59.01383	100.0
69.11322	5.3
69.11747	4.6
71.01378	7.6
85.02957	3.0
89.02455	2.1
101.02456	6.8
107.33878	1.0
113.02486	3.4
117.63744	1.0
128.25519	1.0
161.04591	4.3
215.90660	1.0
305.16043	6.3
365.18076	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17175	0.8
59.01385	100.0
60.01704	1.5
69.19540	2.9
69.19951	4.6
71.01388	9.0
73.02954	2.2
76.83899	0.9
83.01398	1.5
85.02965	4.5
89.02443	5.0
99.00883	1.7
101.02459	6.8
113.02432	5.3
119.03513	2.7
143.10756	1.3
161.04591	6.4
305.16034	4.8
360.19388	1.1
365.18130	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	365.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.0
59.01387	100.0
70.33684	3.8
70.34048	3.4
71.01386	25.2
72.99301	2.3
73.02941	4.8
75.81693	1.6
83.01390	3.9
83.05141	1.6
85.02943	7.5
85.66106	1.7
89.02450	16.6
96.96036	2.0
99.00868	2.5
101.02471	19.7
109.02988	1.8
113.02448	8.0
119.03500	7.7
134.03772	2.3
136.01636	3.8
137.02444	3.7
160.06451	3.2
161.04594	14.2
161.07181	5.6
175.08781	3.3
178.02615	2.1
179.05609	1.9
189.06769	4.7
193.05132	2.2
203.08257	2.3
203.12875	2.0
252.68507	1.9
305.11478	7.2
305.16034	20.6
306.49124	1.8
365.18198	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	366.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.4
69.37025	1.1
116.05061	3.5
117.05378	0.3
132.04634	0.3
159.03253	0.5
160.04053	100.0
161.04404	4.9
204.03044	4.3
205.03302	0.3
366.08313	15.3
367.08862	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	366.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13238	1.0
57.27304	0.9
60.61534	1.1
69.77467	2.3
69.77850	2.4
98.21884	1.3
120.04552	1.3
121.03040	0.9
132.04558	1.8
133.75327	1.1
146.06120	3.5
148.07700	45.4
149.08054	1.9
171.91383	1.1
223.29231	0.9
246.62267	1.1
366.24380	100.0
367.24643	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	367.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06392	4.7
59.01384	39.1
69.53999	25.9
71.01393	27.6
85.02954	23.6
89.02444	8.5
91.47500	4.5
108.72164	4.2
109.02998	5.3
113.02462	100.0
155.03542	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	367.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	65.8
69.26596	75.2
69.27024	100.0
71.01373	63.7
73.02937	41.8
82.32027	22.7
85.02959	23.6
85.11243	20.7
91.18629	19.3
96.96018	30.1
101.02477	27.4
113.02464	25.9
119.05045	28.6
120.42784	20.4
135.04510	29.0
145.02980	29.8
235.73709	18.8
237.47588	23.9
299.86838	21.4
305.10574	22.1
318.83545	23.0
367.14890	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	367.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	100.0
60.40039	41.1
71.01382	67.0
101.02457	40.1
127.20924	33.3
164.29108	38.9
177.59114	40.5
177.65996	36.9
193.38174	37.9
240.37019	39.8
248.20401	44.4
257.49261	43.2
307.17709	62.2
346.40015	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.153
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79332	10.9
59.01390	100.0
62.31765	12.7
66.17387	11.0
71.01384	39.7
71.31921	14.6
73.12598	12.9
85.02948	31.7
89.02462	21.9
93.03488	24.5
101.02447	14.5
113.02480	19.8
114.77369	10.2
117.03452	11.6
134.34502	11.9
137.02480	13.6
145.02982	40.5
151.46468	12.2
159.04388	13.7
187.04065	21.2
187.11250	18.3
281.07983	19.5
307.06494	15.7
323.09143	25.4
367.08047	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	367.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85366	16.0
59.01373	84.7
69.24666	28.0
69.25065	100.0
70.39092	20.3
70.84137	15.6
71.01396	38.4
79.64517	18.7
79.73045	15.4
85.02932	21.3
96.96021	31.7
98.22489	33.4
100.57938	15.2
101.02463	36.1
103.80872	21.0
110.04534	21.2
113.02435	20.4
119.05034	44.6
145.02960	53.2
152.99617	24.2
163.04048	17.0
193.44289	18.0
205.08688	18.3
289.14313	18.6
301.88828	18.1
367.14059	30.5
367.21591	29.3
385.11151	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	367.153
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21313	15.0
54.10520	15.2
59.01383	100.0
70.51396	47.0
71.01383	35.3
79.99953	13.2
81.95090	14.5
84.95773	13.7
85.02954	20.1
113.02454	40.3
119.05124	16.3
138.76463	13.7
145.02956	24.4
149.17935	16.0
153.09213	19.8
161.04663	18.4
210.15440	14.5
259.10901	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	367.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51268	0.6
55.01876	3.0
57.03441	2.6
58.00586	1.2
59.01382	26.5
60.77893	0.6
61.98829	2.0
69.03446	0.8
69.22758	5.6
71.01384	40.6
71.05001	0.7
72.01717	0.9
72.99307	2.8
73.02570	1.0
73.02953	13.5
75.00880	1.1
80.96513	0.6
81.03408	0.7
83.01390	7.3
85.02955	19.6
86.03275	0.7
87.00885	2.8
89.02451	8.6
95.01414	3.0
97.02962	1.7
99.00867	6.1
101.02446	37.6
102.02745	0.9
111.00890	1.1
113.02462	16.5
114.02789	1.1
119.03499	1.5
119.05032	5.0
120.04514	0.7
125.02450	1.4
129.01936	1.5
131.03557	0.9
134.03731	2.4
143.03493	2.8
143.07080	0.6
144.04579	1.0
145.08725	1.0
159.03008	4.1
161.04559	17.7
163.03978	1.8
193.05061	2.4
204.06331	0.8
205.03450	1.0
205.06747	1.1
235.11882	100.0
236.12306	5.8
249.05519	0.7
253.77635	0.6
279.10913	0.9
293.12433	1.1
367.11539	1.1
367.16025	7.9
367.19925	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	367.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.1
57.03458	2.4
57.38954	0.5
58.00592	0.9
59.01385	26.1
61.38186	0.4
61.41121	0.5
71.01386	37.5
71.05033	1.1
71.28085	0.9
72.01720	0.5
72.99306	1.9
73.02950	15.2
75.00858	0.7
83.00929	1.0
83.01395	8.0
85.02962	18.9
86.00098	1.1
87.00884	2.6
89.02457	7.7
89.37537	0.5
90.02804	0.5
93.03480	0.6
95.01400	2.4
96.35655	0.4
96.95982	0.8
97.02969	1.3
99.00889	7.1
101.02452	43.0
102.02808	0.6
111.00903	1.1
113.02460	16.0
115.48106	0.5
119.03543	1.5
119.05033	11.6
121.02953	0.9
125.02453	0.9
129.01973	0.7
131.03511	0.8
143.03506	1.4
145.06223	0.6
157.32045	0.5
159.03009	3.6
160.95706	0.8
161.04575	16.4
163.04036	8.2
190.05154	0.9
205.03572	1.3
235.11888	100.0
236.12219	6.9
279.10876	1.6
367.11044	1.0
367.15976	6.9
368.16660	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86860	0.6
55.01876	4.1
57.03443	3.0
58.00585	1.7
59.01383	26.5
61.98805	0.8
69.03468	0.8
69.22291	4.3
71.01386	40.6
71.05013	0.6
72.99304	1.7
73.02952	14.4
73.06573	0.6
75.00874	0.9
83.01384	10.0
85.02956	22.3
87.00874	2.1
89.02457	7.3
89.02970	0.9
94.02994	1.3
95.01397	2.6
97.02955	1.3
99.00896	5.9
101.02450	43.4
102.02779	1.0
108.78333	0.6
111.00912	1.6
113.02464	18.7
114.02822	0.9
115.43073	0.6
119.03522	1.5
119.05038	6.0
125.02471	1.1
129.01936	1.5
131.03484	0.7
134.03729	1.5
143.03499	2.4
144.04585	1.3
159.03026	3.9
161.04562	19.2
163.03995	3.7
193.05092	2.1
204.06490	1.0
205.03439	0.7
205.06877	1.1
235.11877	100.0
236.12216	7.3
279.10907	1.6
367.12143	1.3
367.16101	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	367.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07998	1.0
55.01888	5.7
57.03439	4.1
58.00594	1.7
59.01088	2.2
59.01383	42.7
69.03468	1.3
71.01386	53.8
71.31042	1.6
72.01723	1.4
72.99306	2.9
73.02575	2.0
73.02954	27.9
74.03298	1.1
83.01392	13.3
85.02957	29.0
86.00095	1.6
87.00880	4.8
89.02443	13.4
89.03993	1.8
91.30368	1.1
95.01396	4.5
96.96041	1.8
97.02963	3.5
99.00889	11.9
101.02449	62.3
102.02814	2.0
111.00829	1.5
113.02457	24.6
115.04075	1.2
117.03446	2.7
119.03509	2.2
119.05025	12.9
121.02998	1.4
125.02417	3.3
129.02008	1.2
131.03491	2.4
134.03757	15.8
140.87688	1.2
143.03537	2.3
144.04561	10.7
149.04597	1.8
159.03004	5.0
161.04590	22.2
163.04021	6.9
173.04538	1.4
179.77925	1.1
191.05699	1.9
193.05084	18.6
203.05318	1.1
222.26022	1.3
233.06613	3.2
235.11877	100.0
236.12247	7.5
279.90170	1.5
321.80820	1.2
367.16086	64.1
368.16489	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	367.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	6.2
55.29817	0.7
55.52526	0.8
57.03448	10.6
57.77658	0.7
58.00603	1.6
59.01387	28.0
68.99857	1.1
69.03448	1.8
69.56749	0.6
70.61913	0.8
70.62257	1.5
71.01389	100.0
71.05015	3.2
72.01731	1.3
72.99326	1.9
73.02954	16.5
83.01392	10.1
83.05051	1.4
84.02176	1.4
85.02961	61.4
85.63394	0.7
86.03281	1.2
87.00881	4.1
89.02458	12.1
93.03502	0.9
95.01395	17.1
95.05045	1.2
97.02961	3.5
99.00903	5.9
100.77933	0.6
101.02456	15.1
103.53323	0.7
109.03019	1.2
109.06624	2.1
111.04570	0.7
113.02466	81.0
113.06092	1.4
114.02814	2.3
118.37055	1.0
119.05016	0.7
119.49568	0.6
123.08206	2.5
124.97998	0.9
125.02417	0.9
125.06118	1.1
129.01962	1.3
135.08156	1.1
136.05316	13.5
138.05800	0.7
138.06889	15.4
139.07690	3.7
143.03520	1.9
145.02939	1.0
147.08252	0.8
151.07671	14.3
152.08450	94.8
153.09236	78.0
154.09566	3.5
160.04074	0.7
160.95648	3.8
161.04591	7.3
161.09747	5.2
163.04042	0.7
163.11258	5.0
165.09218	6.0
167.07103	0.8
175.07623	1.0
179.10765	1.9
187.11337	1.9
189.09248	3.4
190.10042	4.7
191.05551	1.5
194.85023	0.7
204.94644	6.2
205.12349	74.1
206.12712	4.7
223.13382	5.9
246.95685	2.7
251.06886	0.7
267.16583	0.7
285.46210	0.8
306.97803	0.9
366.99927	3.6
367.17621	19.8
367.99966	0.7
368.18036	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	367.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19714	1.5
59.01384	100.0
71.01385	20.8
71.31591	2.4
71.33693	1.8
73.02969	4.2
83.01373	3.7
85.02955	8.6
89.02474	3.8
95.01389	3.3
96.96000	2.6
99.00880	3.8
101.02459	12.0
113.02450	11.2
116.48546	1.7
121.02950	2.4
145.02914	2.1
153.09268	2.2
161.04587	18.6
185.11447	1.9
205.12198	2.3
307.17596	17.7
308.17770	1.8
328.42914	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	367.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22092	0.6
57.03446	0.9
59.01386	100.0
60.01713	1.5
71.01387	3.7
71.29453	0.8
73.02946	1.6
73.13887	0.6
74.99138	0.6
83.01402	1.6
85.02974	2.0
87.44379	0.6
89.02463	1.5
93.03481	1.1
101.02455	3.6
113.02460	1.2
119.05040	35.5
120.05418	1.7
121.02991	0.9
122.27925	0.6
159.03023	1.0
161.04561	3.1
163.04033	24.7
164.04382	1.3
177.02065	1.2
205.12460	0.9
222.08310	0.6
227.49178	0.6
307.17657	7.8
367.13419	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17083	1.8
69.43330	9.7
69.43761	4.7
119.05037	100.0
120.05369	5.6
163.04016	98.5
164.04381	4.6
276.82367	2.2
283.09909	1.9
343.93219	2.1
392.12628	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41354	0.6
57.55409	0.8
58.99322	1.2
58.99603	16.1
59.01376	3.0
61.98817	1.2
69.10126	5.5
69.10536	1.6
71.01373	0.9
73.02909	0.7
74.99120	4.4
82.02383	0.9
102.98605	100.0
103.98948	0.9
120.99683	1.8
163.00739	5.1
369.22766	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	369.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99594	21.4
59.01372	19.8
61.65003	7.3
69.03492	34.6
69.03909	45.8
71.01387	18.5
73.02962	9.1
80.96503	7.6
85.02958	10.1
85.62071	8.1
98.21784	12.3
101.02431	14.3
102.98609	100.0
105.70155	8.0
113.02467	9.1
179.10854	11.6
216.54575	7.4
239.11197	9.4
302.61002	8.2
369.22806	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99594	21.4
59.01372	19.8
61.65003	7.3
69.03492	34.6
69.03909	45.8
71.01387	18.5
73.02962	9.1
80.96503	7.6
85.02958	10.1
85.62071	8.1
98.21784	12.3
101.02431	14.3
102.98609	100.0
105.70155	8.0
113.02467	9.1
179.10854	11.6
216.54575	7.4
239.11197	9.4
302.61002	8.2
369.22806	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30280	19.6
53.18692	19.2
59.01384	100.0
62.50707	20.7
69.77757	19.2
70.64735	64.1
71.01375	57.1
89.02463	60.6
101.02453	30.8
141.78239	25.5
160.54921	23.4
179.05624	64.7
271.76620	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	369.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46909	23.2
59.01372	100.0
59.56440	24.6
59.56737	22.7
71.01376	42.3
96.95996	27.6
165.44781	22.3
166.00887	22.3
180.74521	22.6
192.18106	24.4
226.65149	28.9
246.49660	26.1
260.45663	26.6
276.23135	26.9
369.22766	74.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1925
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
55.01886	2.3
57.03453	2.3
58.00596	5.4
59.01387	100.0
60.01728	1.0
60.39886	0.7
69.08369	7.3
71.01390	76.1
72.01716	1.7
72.99325	5.8
73.02958	4.8
75.00899	0.9
83.01414	3.8
85.02959	17.2
85.55321	0.7
87.00877	3.1
89.02455	94.2
90.02789	1.8
93.03423	1.1
95.01402	5.1
96.96044	0.8
99.00894	2.2
101.02458	35.6
113.02464	26.9
114.02816	1.1
115.15575	0.7
119.03517	32.8
119.04909	1.4
121.06619	3.7
131.03477	2.8
137.09749	28.0
138.10062	1.8
143.03481	2.7
149.04524	2.2
153.18298	0.7
159.05202	0.8
161.04532	4.2
163.04010	0.8
179.05611	3.6
189.12814	1.0
289.11774	0.8
323.97040	0.7
369.22565	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	369.2437
Annotation	19-Furan-2-yl-nonadeca-5,7-diynoic acid methyl ester
Peak:m/z	Relative Intensity
60.89447	1.2
69.27421	10.2
89.52019	1.2
110.67929	1.3
129.07729	1.5
133.10277	4.1
134.26283	1.3
161.09784	1.8
163.11301	100.0
164.11603	5.3
179.10782	23.1
180.11134	1.3
193.12350	21.9
194.12735	2.4
301.21738	4.1
306.56613	1.3
337.21710	13.0
338.22153	1.6
369.24384	65.4
370.20474	1.9
370.24765	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	371.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	2.0
58.00583	3.0
59.01383	100.0
60.01709	1.9
68.37134	1.1
70.17146	2.7
71.01385	50.0
72.99304	4.5
83.01400	3.1
85.02960	10.1
87.00887	2.0
89.02451	62.5
91.05590	2.0
95.01411	1.7
101.02451	29.0
103.78643	1.0
113.02447	17.4
113.03179	1.8
119.03513	27.8
131.03517	2.2
143.03476	2.2
144.63181	1.0
147.08159	2.5
149.04582	1.3
179.05641	2.8
191.07188	1.2
214.21053	1.0
274.23044	1.1
316.06699	1.0
336.85742	1.0
371.13492	82.3
372.13812	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	371.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28548	0.9
50.50535	1.0
50.66609	1.0
54.06191	1.0
55.01883	2.2
57.03431	1.7
57.20634	1.1
58.00585	4.8
59.01386	100.0
60.01706	1.2
69.24320	7.9
71.01392	47.1
72.99312	3.5
73.02952	2.1
73.19022	1.0
76.77307	1.1
83.01379	2.7
85.02950	9.7
87.00905	1.4
89.02457	62.6
91.05540	1.8
95.01408	3.3
101.01808	2.2
101.02454	33.7
113.02465	20.8
119.03516	31.8
120.03888	1.0
131.03540	3.3
136.12135	1.3
143.03511	2.5
144.24200	1.0
147.08144	2.2
149.04599	2.2
152.18086	1.1
156.24265	1.0
159.73836	1.1
161.04565	2.3
173.09561	1.0
179.05602	3.6
275.59076	1.1
351.35837	1.3
371.13501	93.6
372.13791	10.9
389.22275	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.7
58.00602	4.4
59.01385	100.0
60.01736	1.1
67.14555	0.8
69.16540	7.1
71.01388	49.8
72.99303	3.8
73.02943	1.3
83.01395	1.9
85.02957	8.5
85.37447	0.9
87.00897	2.2
89.02454	59.0
92.26106	0.9
93.07114	1.7
95.01395	3.7
101.02448	31.1
101.03117	2.0
101.32059	1.0
102.98588	1.4
113.02463	20.0
113.03174	1.8
114.02808	1.0
119.03513	27.6
131.03554	1.8
143.03470	2.4
147.11807	14.9
148.12181	1.0
149.04539	2.1
161.04590	1.6
179.05623	2.8
191.10825	16.3
209.11871	5.5
371.17154	29.9
372.17468	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	372.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	12.4
59.91528	2.6
61.98839	100.0
65.27872	3.0
70.70197	2.8
70.70524	6.1
71.01385	6.7
72.63199	2.6
85.03003	3.2
87.00922	3.1
89.02468	3.8
96.96982	3.7
100.01361	2.7
106.15464	2.6
109.02901	3.1
115.59162	2.6
134.03732	4.4
160.20779	2.7
163.03870	2.6
167.03513	2.8
205.55130	2.9
303.88184	2.7
373.16342	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	372.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35488	0.7
50.36770	0.8
55.01869	3.2
57.03442	1.5
58.00586	2.9
59.01382	60.8
69.24332	5.9
71.01386	32.6
72.99302	2.0
73.02943	6.7
78.77377	0.7
82.21388	0.7
83.01395	5.9
85.02950	12.7
86.00085	1.6
87.00852	1.9
89.02450	22.0
95.01389	2.6
99.00889	2.7
101.02447	27.6
111.00861	1.1
113.02449	10.0
119.03516	8.5
131.03485	0.7
143.03426	1.2
161.04584	2.4
179.05501	0.7
194.11821	2.6
210.11380	0.8
248.97327	0.7
271.24387	0.7
282.13687	1.0
293.82413	0.8
305.35907	0.7
312.14566	4.0
372.16641	100.0
373.16940	11.0
389.52548	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02800	0.9
55.01875	1.6
57.03450	1.5
58.00586	2.9
59.01385	62.5
69.20326	7.6
71.01389	31.0
72.99304	3.3
73.02969	4.4
74.65928	0.8
78.32194	0.8
83.01402	4.5
85.02963	12.9
86.00095	0.9
87.00877	1.4
88.01658	0.9
89.02451	26.5
92.56408	0.8
95.01392	2.5
99.00876	2.0
101.02451	23.7
102.02776	0.9
113.02470	11.6
118.09767	1.0
119.03529	11.0
119.41129	0.8
161.04552	1.8
177.80508	0.9
179.05475	1.0
194.11848	4.6
210.11386	1.7
227.53212	0.8
252.12465	2.2
312.14597	4.8
372.16663	100.0
373.16934	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	372.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60901	25.2
59.01372	91.6
67.86753	28.4
83.05013	32.4
87.00888	42.7
89.02480	36.7
96.96013	24.9
112.04052	34.0
167.10777	38.3
372.16028	46.5
373.18317	25.7
373.25986	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	373.0629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	6.8
59.01381	50.6
61.98818	7.5
67.01829	7.1
67.14278	5.1
70.70615	13.3
71.01389	53.2
74.99380	7.9
78.95905	56.6
83.01396	20.1
83.63671	5.6
85.01466	12.0
85.02934	31.0
86.00089	5.4
86.99388	6.3
87.00871	13.7
89.02467	16.9
95.77793	5.6
96.96974	100.0
97.02954	7.8
99.00869	29.7
101.00954	33.9
101.02452	15.6
102.98898	20.5
109.02987	13.8
111.00891	9.2
113.00961	15.2
113.02441	42.4
117.00438	54.7
118.96618	31.2
119.03493	5.6
121.02979	7.3
125.00954	16.1
125.02464	11.3
126.98904	36.8
126.99708	5.8
127.02522	14.2
129.01974	8.2
132.98192	10.8
139.02463	7.5
141.00459	40.0
144.99945	13.7
149.00995	9.8
151.02530	8.3
153.00449	24.4
155.00427	4.9
155.01976	36.3
156.98247	6.1
160.97723	38.7
160.98868	5.8
167.01991	54.7
168.98206	19.2
168.99954	78.6
169.03615	18.0
171.01495	6.9
179.02016	6.1
180.99901	14.9
181.03658	8.8
183.00084	5.5
183.01459	26.5
185.01509	6.3
185.03099	14.0
191.01974	6.5
195.01468	27.3
196.97751	8.9
197.01421	6.9
197.03032	9.3
198.99248	10.2
199.00897	8.4
207.01486	7.7
209.03046	71.4
210.03241	8.5
210.99246	47.7
211.01065	17.5
212.05638	11.3
213.02538	35.0
214.98882	11.0
225.02571	10.6
226.98805	16.0
235.01120	7.0
241.00159	8.0
243.03589	36.2
244.99803	6.3
253.02155	72.7
254.02463	18.5
283.03363	7.6
313.04214	69.9
314.04318	12.1
373.06302	20.7
373.16238	75.8
393.07458	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	373.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.7
57.03443	0.8
58.00603	0.9
59.01387	12.7
70.40897	1.3
71.01389	8.6
72.99329	1.1
73.02944	0.9
83.01403	1.4
83.05049	0.8
85.02967	3.2
87.00892	0.9
89.02456	5.1
93.03458	0.8
95.01433	1.5
97.58727	0.6
98.02532	0.5
99.00896	1.1
101.00672	1.1
101.02442	5.0
104.58803	0.6
104.99734	0.5
106.06646	0.6
108.02184	39.6
109.02483	1.0
111.00904	1.3
113.02463	2.4
119.03495	2.0
119.69150	0.6
120.01377	0.6
123.04539	20.0
123.08187	0.7
149.06053	1.7
149.09785	1.1
152.01164	63.3
152.07156	3.2
153.01532	1.4
161.02429	0.6
161.04538	1.0
162.05634	0.9
165.05536	0.7
167.03510	100.0
167.10760	1.1
168.03883	5.5
168.06648	0.7
176.89798	0.7
193.05161	0.8
193.08768	1.4
211.06155	2.2
211.09743	1.6
212.05717	0.9
222.11212	0.9
235.02475	0.8
329.11493	0.8
337.05692	1.2
342.36847	0.7
373.11328	23.4
374.11658	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	373.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70595	0.5
55.01872	0.5
59.01381	10.1
63.77871	0.4
67.01895	0.5
69.14552	3.8
71.01384	6.2
72.01758	0.6
72.56093	0.4
72.99297	0.6
73.02969	1.0
83.01402	1.2
85.02959	2.1
87.00909	0.8
89.02451	3.9
93.03461	0.5
95.01395	1.1
97.02966	0.6
99.00837	0.4
101.00650	1.1
101.02454	4.5
107.01378	0.8
108.02182	37.8
109.02506	0.9
111.00876	0.8
113.02469	2.5
119.03522	1.5
123.04538	20.8
124.04823	0.6
133.02969	0.6
134.06161	0.7
135.04568	0.8
149.06085	2.1
149.09726	0.7
150.09314	0.5
151.07611	0.6
152.01161	60.7
152.07195	3.3
153.01474	2.5
161.04601	0.8
162.05634	2.1
164.10742	0.6
165.05600	0.9
167.03505	100.0
168.03827	3.7
193.05081	1.2
193.08737	0.6
196.99112	0.5
211.06091	2.4
219.02988	0.5
222.11211	0.7
231.78563	0.4
235.02560	0.6
237.03957	0.7
265.03653	0.6
277.03479	0.7
285.12436	0.8
329.11215	0.9
337.05661	1.5
373.11328	21.2
373.18607	0.8
374.11789	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	373.1297
Annotation	Shinjulactone C
Peak:m/z	Relative Intensity
50.83991	0.7
51.80731	0.7
59.01357	3.1
65.11997	0.8
69.31137	2.5
69.31559	3.7
71.01371	1.8
89.02452	1.3
93.03419	0.9
98.21806	1.6
101.02450	0.9
106.17316	0.8
109.02892	1.1
119.05016	2.1
121.02950	2.3
122.03727	1.7
123.04508	0.7
125.02377	0.9
134.03717	2.3
135.04544	8.3
137.02362	0.8
145.02962	2.5
147.04523	11.5
148.05324	44.1
149.06122	7.6
150.03241	4.3
151.00368	0.8
151.03920	1.8
153.05548	1.3
159.04494	2.7
160.05313	39.4
161.06099	35.0
162.01929	1.6
162.03229	20.7
162.06586	2.6
163.04018	30.9
163.07651	0.9
165.05507	2.0
175.03941	0.9
175.07703	3.9
176.04770	0.9
177.05585	7.5
178.06277	1.6
179.03615	0.8
180.04301	20.9
181.04575	1.1
184.24409	0.8
191.03481	5.7
191.07080	2.1
192.04272	4.1
194.05904	3.7
204.04294	21.9
205.05061	45.9
206.05498	3.5
207.02982	4.7
210.05278	1.2
210.97929	1.6
218.05766	1.5
219.06613	13.9
220.06978	1.4
221.04558	5.6
222.05261	1.4
224.03281	9.4
235.05856	1.1
235.07867	1.2
238.04813	1.7
254.04359	5.7
263.07211	3.0
268.07565	3.7
269.07962	0.9
280.07349	1.9
281.08240	16.3
282.08463	1.5
283.09665	1.2
284.10532	6.1
295.09695	1.5
296.10544	15.4
297.11029	2.1
299.12906	26.2
300.13226	1.3
311.09305	1.1
311.12894	15.4
312.06561	1.0
312.13339	1.9
314.11609	3.3
325.07135	1.3
327.08823	0.9
329.13959	100.0
330.14261	11.4
340.09210	1.2
341.10062	0.9
343.11508	0.8
355.11841	6.4
356.12033	0.9
358.10843	1.3
373.12958	74.9
374.13312	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	373.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83572	0.8
57.03438	3.8
58.03772	1.1
58.99609	34.7
59.01387	28.4
69.03462	1.3
70.69605	1.8
71.01377	3.0
73.98309	3.9
83.05010	1.7
85.01184	5.4
87.00888	6.7
93.07052	0.9
101.97915	0.9
102.52529	1.0
102.98608	100.0
107.08710	1.2
109.06622	4.9
111.02769	2.4
115.02245	8.9
116.95202	0.8
119.08707	1.3
120.99635	8.0
123.08221	1.2
127.07674	2.0
129.01952	2.8
131.05341	1.7
133.10251	5.3
135.10779	2.1
135.11809	34.0
135.53671	1.1
136.12085	1.5
143.05286	1.3
146.71704	1.0
147.11803	5.7
161.09718	1.9
161.13361	3.8
165.12856	2.9
169.03220	1.1
179.10756	2.8
186.74576	0.9
191.10791	4.5
191.14471	1.0
195.08423	3.5
195.51646	1.0
199.11603	2.9
209.11844	59.1
210.12189	5.4
225.09569	24.1
226.09767	1.3
235.13347	4.2
239.11111	2.8
243.10608	51.8
244.10829	3.8
251.11015	2.3
269.12112	11.3
285.11801	1.8
313.11224	10.3
331.12219	70.4
332.12531	7.7
373.13272	43.3
373.17920	1.7
374.13654	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65419	1.3
55.01865	3.0
57.03439	5.0
59.01384	100.0
59.46214	1.2
60.01721	1.8
63.10660	1.3
67.01886	1.6
68.95428	1.4
71.01391	27.7
71.31830	2.0
72.01729	1.9
72.99296	2.8
73.02940	5.0
76.29896	1.2
78.00571	1.5
81.03474	2.5
83.01396	3.6
83.05017	6.8
85.02957	8.1
86.18414	1.2
87.00880	7.4
89.02459	10.3
90.02774	1.8
97.02954	1.6
99.00884	4.2
101.02440	11.5
102.02798	1.5
102.05592	2.2
109.06629	8.6
110.96397	1.4
111.00896	3.6
113.02486	7.5
115.00386	12.9
116.60590	1.3
118.98084	1.9
119.03533	3.2
119.05014	1.5
120.99612	2.3
123.04538	1.9
128.03554	2.9
129.01950	7.8
134.03766	2.4
135.08180	1.7
136.01675	4.4
137.02422	2.2
145.01445	54.9
145.02641	2.6
147.03056	1.8
147.04466	1.4
151.04021	5.2
160.05348	1.4
161.04572	3.4
161.09755	1.5
163.11302	9.7
165.12869	3.8
167.10751	2.1
174.27144	1.5
181.12378	3.1
181.67928	1.6
185.11847	3.3
193.05028	2.6
203.77599	1.3
207.10268	17.3
208.10664	1.4
209.11847	86.6
210.12187	6.4
210.91173	6.9
211.13275	1.6
225.09180	3.1
225.11301	25.5
227.12906	31.5
228.13248	2.3
243.12254	3.8
245.13982	1.9
269.08261	3.1
313.16663	2.2
329.14172	2.2
331.17657	4.0
373.12909	4.5
373.17065	22.1
374.18008	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	373.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75988	1.3
55.01868	1.8
55.37795	1.6
57.03448	10.8
59.01385	38.7
67.01865	5.3
71.01389	20.8
71.29506	2.2
73.02950	1.8
81.03447	4.3
83.01379	6.7
83.05019	4.3
84.02151	1.8
85.02948	8.5
87.00880	3.4
89.02432	3.6
93.03481	2.6
93.90009	1.4
95.05042	1.5
97.02948	4.8
97.06549	2.4
99.00892	7.3
101.02453	3.7
109.06599	29.7
110.03722	1.9
111.00887	13.1
111.47301	1.5
113.02438	3.6
115.00365	5.5
120.99651	3.1
121.06625	3.5
125.09752	3.7
129.01964	30.5
130.02280	1.7
135.08139	4.3
145.01430	19.7
147.03009	9.1
147.04420	1.7
155.23457	1.6
163.11310	18.4
167.10751	4.9
168.02911	2.3
168.28532	1.7
169.03410	2.3
181.12369	9.5
185.11830	4.7
207.10266	68.6
208.10600	5.8
209.11838	30.7
210.12199	2.1
210.91264	4.5
211.09750	4.4
211.13272	2.2
221.11850	2.0
225.11333	100.0
226.11668	7.1
227.12894	8.3
239.12849	4.8
243.12402	16.9
257.13959	4.3
260.48273	1.9
278.30658	1.6
283.11929	2.8
313.16617	5.7
321.46906	1.7
329.14374	2.0
331.17581	2.0
373.14456	5.2
373.18774	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	373.1871
Annotation	Dictamnoside N
Peak:m/z	Relative Intensity
55.01853	1.9
55.36211	0.5
57.03445	3.4
57.97407	0.6
58.00574	0.8
58.99591	1.4
59.01383	31.0
63.97307	0.6
69.03434	1.7
69.24657	0.9
69.25050	5.1
71.01389	21.5
71.05015	1.3
72.99300	1.2
73.02953	4.4
75.00868	0.7
78.50771	0.6
83.01373	3.0
85.02956	8.8
87.00867	1.4
88.57276	0.7
89.02450	7.8
95.01393	2.2
99.00885	2.6
101.02453	10.2
102.98609	3.8
108.92284	0.6
113.02459	6.9
119.03507	3.1
128.04219	0.6
129.01927	1.9
135.11790	1.2
139.11298	1.0
141.09213	1.4
147.04524	0.9
160.05330	0.8
193.12401	1.5
195.13962	3.2
209.11809	2.5
211.13417	7.9
212.13898	0.7
243.10547	1.9
284.10519	1.0
329.13855	1.9
331.12222	2.7
355.17480	1.3
373.18674	100.0
374.19006	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	373.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.9
55.36211	0.5
57.03445	3.4
57.97407	0.6
58.00574	0.8
58.99591	1.4
59.01383	31.0
63.97307	0.6
69.03434	1.7
69.24657	0.9
69.25050	5.1
71.01389	21.5
71.05015	1.3
72.99300	1.2
73.02953	4.4
75.00868	0.7
78.50771	0.6
83.01373	3.0
85.02956	8.8
87.00867	1.4
88.57276	0.7
89.02450	7.8
95.01393	2.2
99.00885	2.6
101.02453	10.2
102.98609	3.8
108.92284	0.6
113.02459	6.9
119.03507	3.1
128.04219	0.6
129.01927	1.9
135.11790	1.2
139.11298	1.0
141.09213	1.4
147.04524	0.9
160.05330	0.8
193.12401	1.5
195.13962	3.2
209.11809	2.5
211.13417	7.9
212.13898	0.7
243.10547	1.9
284.10519	1.0
329.13855	1.9
331.12222	2.7
355.17480	1.3
373.18674	100.0
374.19006	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	373.1871
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
50.01762	1.4
55.01873	5.7
57.03447	6.0
58.00580	1.9
58.99590	4.5
59.01383	57.3
63.63753	1.2
65.10229	1.3
69.03464	1.5
69.12838	13.8
71.01386	80.0
72.01708	2.3
72.99323	2.6
73.02955	25.9
83.01402	11.0
85.02469	2.6
85.02960	38.5
87.00881	5.4
89.02450	12.2
95.01413	8.3
99.00901	10.5
101.02456	39.1
102.02790	1.7
102.98605	11.7
112.70681	1.3
113.02457	29.6
119.03553	2.7
129.01959	3.1
135.11830	3.4
151.58951	1.4
159.02974	4.5
161.04556	11.8
169.10547	1.4
169.12425	1.9
169.32585	1.3
195.14009	1.9
209.11862	5.7
231.77255	1.4
239.52309	1.3
243.10573	5.6
331.12259	5.6
373.13785	3.3
373.18665	100.0
373.25427	7.3
374.19208	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	373.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.9
55.36211	0.5
57.03445	3.4
57.97407	0.6
58.00574	0.8
58.99591	1.4
59.01383	31.0
63.97307	0.6
69.03434	1.7
69.24657	0.9
69.25050	5.1
71.01389	21.5
71.05015	1.3
72.99300	1.2
73.02953	4.4
75.00868	0.7
78.50771	0.6
83.01373	3.0
85.02956	8.8
87.00867	1.4
88.57276	0.7
89.02450	7.8
95.01393	2.2
99.00885	2.6
101.02453	10.2
102.98609	3.8
108.92284	0.6
113.02459	6.9
119.03507	3.1
128.04219	0.6
129.01927	1.9
135.11790	1.2
139.11298	1.0
141.09213	1.4
147.04524	0.9
160.05330	0.8
193.12401	1.5
195.13962	3.2
209.11809	2.5
211.13417	7.9
212.13898	0.7
243.10547	1.9
284.10519	1.0
329.13855	1.9
331.12222	2.7
355.17480	1.3
373.18674	100.0
374.19006	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	373.1872
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
51.12122	1.2
55.01879	3.0
57.03435	3.1
58.00587	3.3
58.99588	1.5
59.01385	64.0
62.22681	1.1
70.50191	3.8
71.01387	47.6
71.05026	2.4
72.99313	4.6
73.02957	10.3
75.38428	1.1
83.01392	9.1
85.02955	18.4
86.00094	1.8
87.00881	4.6
89.02452	25.6
95.01394	4.0
99.00885	3.9
101.02452	38.5
101.98453	1.2
102.98607	2.5
108.58025	1.1
111.00912	1.3
113.02464	18.0
119.03528	8.5
149.13506	1.3
153.12828	1.7
159.02956	1.6
161.04578	4.6
193.12363	3.2
199.11598	7.2
200.28297	1.4
211.13373	2.3
225.09564	1.5
227.52802	1.1
243.10619	6.5
256.66791	1.2
321.73584	1.2
329.19809	2.1
331.12146	3.2
373.18680	100.0
373.25613	11.9
374.19086	12.2
374.26343	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	373.2597
Annotation	oscr#24
Peak:m/z	Relative Intensity
57.03465	2.6
58.88733	0.5
59.01361	1.1
69.03448	0.6
70.63595	1.1
70.63930	0.5
73.02955	0.5
95.26698	0.6
111.08183	0.7
113.84646	0.4
123.08144	1.2
125.09737	3.1
127.11320	2.7
137.09726	2.1
143.10832	0.7
153.09244	0.9
153.12852	0.5
155.10791	2.1
161.02400	0.6
171.08830	0.6
171.10289	11.6
172.10568	1.1
179.35921	0.5
209.95105	0.5
214.06825	0.6
229.14424	0.9
230.15187	0.6
327.21677	0.9
355.24884	1.7
365.72681	0.5
371.24451	1.3
373.25970	100.0
374.26306	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	373.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91011	0.3
53.90021	0.4
57.03458	2.8
59.01386	3.3
67.77209	0.4
69.03451	0.6
71.01358	1.8
73.02930	1.3
79.76331	0.4
85.02953	0.5
89.02466	0.8
95.05070	0.5
101.02419	0.8
102.98599	1.0
109.06566	0.5
111.08154	0.8
113.02521	0.5
113.06078	0.5
123.08147	1.2
125.09715	2.8
127.11278	3.4
137.09721	1.6
141.09245	0.7
149.46355	0.4
153.09181	0.7
155.10768	2.0
169.12384	0.5
171.10272	10.9
200.10580	0.6
201.14963	0.6
207.23283	0.4
229.14456	0.7
230.15242	1.1
245.13951	0.5
327.21796	0.4
328.66409	0.4
329.10291	0.5
343.25031	0.5
355.24918	1.5
371.24344	1.2
373.25958	100.0
374.26294	10.8
384.75525	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.26
Annotation	oscr#24
Peak:m/z	Relative Intensity
57.03455	2.6
59.01384	4.8
65.54050	0.3
69.03448	0.7
71.01386	2.9
72.99313	0.4
73.02957	1.5
80.01526	0.3
83.05010	0.2
85.02953	0.9
87.00878	0.3
87.04481	0.4
89.02428	1.1
95.05047	0.3
96.96018	0.4
97.06596	0.3
98.21796	0.5
101.02448	1.4
102.98597	0.6
111.08151	0.6
113.02451	0.9
113.06065	0.5
119.03524	0.4
120.99644	0.4
121.47737	0.2
123.08162	1.0
125.09735	2.9
127.11293	1.7
137.09755	2.2
138.09937	0.3
141.09238	0.6
143.10776	0.4
145.02963	0.4
153.09227	0.6
153.12830	0.5
155.10809	2.1
160.04230	0.2
164.14720	0.3
171.10289	9.6
172.10625	0.7
181.10640	0.3
185.11887	0.5
193.12379	0.3
201.14891	0.6
209.11844	0.3
211.13345	0.6
225.09589	0.3
229.14465	1.0
230.15205	0.9
243.10507	0.4
263.66605	0.2
280.97485	0.2
283.96405	0.2
285.20676	0.5
313.11072	0.3
314.25287	0.3
325.23865	0.6
327.21698	0.7
327.25266	0.4
331.12589	0.3
343.24768	0.5
355.24835	2.1
371.24295	1.2
373.18518	6.7
373.25961	100.0
374.18979	0.8
374.26288	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	374.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80917	1.1
59.01367	1.6
69.48073	6.9
71.01385	5.8
83.01386	1.4
84.04543	2.6
85.02954	1.7
96.00935	9.6
98.02484	71.5
99.00840	1.7
102.05637	1.5
110.02477	5.9
112.04034	1.9
113.02457	2.9
124.00403	5.7
126.01981	48.6
127.00433	1.1
127.02301	1.6
128.25645	1.0
140.03572	9.8
150.01949	6.3
168.03023	2.5
182.04529	2.0
184.06137	4.7
192.06656	3.7
196.06197	2.1
198.04140	1.7
210.04063	1.5
212.05647	100.0
213.06007	6.8
234.12917	1.0
236.05702	2.0
254.06740	6.8
266.06763	1.5
308.02863	1.0
325.14893	1.2
374.10843	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.0
58.00589	3.6
59.01385	90.2
63.34307	1.5
65.00329	2.0
68.99812	6.6
69.34641	3.6
69.35059	7.9
71.01388	58.2
72.99321	4.3
73.02946	3.2
74.02477	2.9
81.02213	1.6
82.02979	10.9
83.01407	3.8
85.02961	10.3
86.06113	1.7
87.00874	3.7
87.98329	1.5
89.02454	64.5
90.02744	1.9
94.02996	3.4
94.06637	7.6
95.01393	9.7
98.02500	2.0
99.00906	2.0
101.02450	29.1
106.06676	1.6
107.03786	5.3
108.04587	2.4
109.01689	3.5
109.06620	4.5
109.72202	1.5
110.02493	3.4
110.38951	1.4
113.02454	25.8
116.07211	2.0
119.03515	29.9
122.02496	61.5
122.06177	1.9
124.07721	4.1
131.03592	2.4
132.04604	2.4
133.06590	2.1
136.07672	3.2
138.01985	6.0
143.03548	4.0
149.04558	2.0
150.05571	2.0
150.09259	100.0
151.07730	2.4
151.09579	5.3
161.04588	4.3
167.04686	2.1
168.06656	17.6
174.99356	1.6
177.01961	10.1
179.05640	6.8
182.08289	3.0
187.77124	1.8
194.08247	8.8
196.09821	6.3
210.07767	3.4
212.05707	12.3
212.09346	7.1
213.07799	9.6
213.11279	2.6
217.00334	9.6
242.07686	1.9
254.06815	2.0
266.10309	2.3
374.07492	7.4
374.14587	38.4
375.14227	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	374.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01709	10.4
62.48005	4.0
69.85087	17.0
71.01382	26.4
73.02957	6.6
82.67547	4.5
85.02948	6.7
87.13718	4.1
89.02457	29.2
92.72796	4.0
101.02444	16.8
113.02439	11.0
113.80467	4.2
119.03532	12.5
169.12364	9.5
173.16217	3.7
195.10252	13.3
213.11302	6.2
232.42937	3.9
271.19080	4.9
315.18268	5.8
375.27771	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	374.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98829	18.3
71.01379	54.9
71.31734	14.8
85.02943	18.5
89.02462	15.7
101.02438	21.2
104.77960	11.1
113.02422	30.1
120.99670	26.4
132.09140	11.1
141.09187	12.0
195.10211	13.8
217.80821	11.0
235.17099	12.7
271.19119	16.6
299.11203	10.7
315.18192	42.1
331.17642	12.2
333.19305	21.7
375.15552	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	374.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19710	8.2
59.01383	100.0
60.01696	10.9
65.73181	9.3
71.01395	35.4
85.02943	16.4
89.02449	12.8
89.84132	7.5
101.02451	20.1
102.05546	9.6
113.02467	11.5
145.01413	18.4
146.01701	8.7
210.12175	14.5
212.90976	15.6
226.11687	9.6
228.13214	9.3
228.96436	14.0
291.80109	8.5
374.17545	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22116	14.0
59.01376	67.1
60.22593	11.7
71.01373	18.8
71.30288	21.3
74.50277	11.9
136.29659	13.3
195.82970	12.3
212.91109	14.8
217.00334	26.4
248.55190	14.6
374.26669	14.6
375.27386	100.0
399.54507	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	374.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44937	19.1
55.58561	19.6
59.01384	100.0
69.15215	15.6
70.45540	36.9
70.45872	40.2
71.01395	40.8
73.02972	22.7
85.02965	24.4
89.02459	42.6
101.02487	49.2
113.02442	22.9
119.14904	21.7
120.40315	19.5
120.93542	18.1
135.06413	17.9
137.06161	18.6
152.03560	48.2
162.95392	14.6
222.24937	17.9
375.16699	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87470	0.4
58.33618	0.4
59.01368	1.6
61.98828	0.4
70.03114	1.2
77.92268	0.4
80.91164	0.4
93.68855	0.4
101.06066	0.9
124.07738	0.4
130.33054	0.4
174.99236	0.6
189.10414	0.5
199.98758	0.4
217.00316	2.2
232.10912	10.7
232.71953	0.4
233.11201	0.8
289.17972	1.7
290.18741	2.7
313.74673	0.4
316.16812	2.0
318.18246	0.4
321.34775	0.4
358.21280	1.2
374.24509	100.0
375.24829	14.9
388.40445	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.9924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	66.1
60.01709	1.1
65.07275	0.4
66.66711	0.4
69.38731	0.3
73.53775	0.4
90.97152	1.5
112.89007	0.5
118.96634	0.6
132.98189	2.6
160.97734	0.4
174.99255	25.2
175.99590	0.5
201.02617	1.2
217.00302	100.0
218.00624	3.4
283.48886	0.4
354.25134	0.4
374.99213	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	375.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
57.03445	1.4
58.00600	1.6
59.01388	37.0
60.01706	0.8
68.30626	0.6
69.61818	0.7
71.01035	1.1
71.01393	19.5
71.28238	0.7
72.99309	1.8
73.02946	1.5
74.00378	1.3
80.99904	0.7
83.01373	2.6
85.02954	5.0
86.17057	0.6
87.00880	1.6
89.02456	13.7
91.86236	0.7
93.03461	0.8
95.01415	2.2
96.96016	0.7
99.00879	0.8
101.02451	10.2
109.02984	1.6
111.00889	0.8
113.02474	5.5
119.03517	4.1
124.71487	0.8
136.01675	0.9
137.02454	4.0
138.01971	1.9
148.42105	0.7
150.01990	0.7
150.03169	0.7
161.04494	0.8
162.05669	1.4
166.01497	1.8
167.02287	2.6
180.01721	2.5
183.00496	3.0
195.00496	2.2
195.10217	1.2
196.01274	16.6
197.02058	31.6
198.02428	1.3
203.12012	0.8
210.99995	1.3
212.08275	1.0
213.01569	29.9
213.11516	0.9
214.01830	0.8
217.00250	1.5
225.01559	1.0
228.00237	7.9
237.01636	1.1
241.07471	0.7
255.02603	6.9
255.08853	3.8
267.02454	1.2
270.62637	0.7
285.03772	1.1
315.04880	3.6
375.06848	100.0
375.16235	5.0
375.20132	1.5
376.07205	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09900	0.8
59.01385	10.5
61.98836	100.0
62.50106	0.9
64.78936	1.0
68.45734	0.8
69.23686	0.8
69.48043	5.4
69.48459	1.9
71.01378	5.7
72.29631	0.9
78.18346	0.9
79.08610	0.9
80.91721	1.5
85.02969	1.8
85.06583	2.8
85.61044	0.8
89.02457	4.1
93.36121	0.9
98.21792	1.7
101.02473	4.2
109.06623	3.3
110.02501	8.6
111.00885	1.1
113.02441	1.7
119.03488	1.8
131.07182	8.7
171.05124	1.3
178.75208	0.9
185.48196	0.9
188.23999	1.0
196.06155	1.9
213.07791	5.8
224.71703	0.9
244.82733	0.9
260.41742	0.9
277.85330	0.9
293.12408	20.2
294.12894	1.3
315.09961	1.5
375.11774	1.8
375.16370	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.131
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
50.39992	0.9
52.09256	0.9
55.01879	1.8
57.03461	1.7
59.01383	48.7
63.46403	0.8
71.01385	21.2
71.31518	1.5
72.99318	1.1
73.02949	5.5
74.55730	0.9
83.01412	3.0
85.02962	12.4
87.00884	3.5
89.02451	13.8
93.03481	1.3
93.44347	1.0
95.01371	1.3
95.04308	0.9
97.02966	1.2
98.55563	0.9
99.00882	1.9
101.02447	15.5
113.02460	8.0
115.04024	2.5
119.03500	6.9
131.03563	1.1
143.03641	1.3
143.34032	1.0
155.10757	1.4
159.02950	1.9
161.04576	5.0
176.86423	0.9
177.09253	2.2
179.05620	2.1
184.08821	3.7
195.10275	1.9
197.05980	1.0
198.06833	2.7
212.08315	22.5
213.11293	1.7
225.11363	2.5
240.06607	3.2
241.07309	9.9
255.08899	100.0
256.09253	6.8
282.09186	1.1
303.12326	1.2
334.79681	0.9
338.62213	1.1
357.15582	7.2
371.76697	1.2
375.06888	2.6
375.13330	2.2
375.16678	28.5
375.20428	2.4
376.16928	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	375.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17463	1.7
57.03434	2.8
58.99605	18.2
59.01386	21.1
62.12182	1.5
64.78538	1.8
69.03463	1.6
69.06292	1.5
71.01366	5.4
71.30257	1.5
71.30779	2.4
71.61261	1.5
72.97526	2.0
73.02965	1.5
73.98313	7.8
74.99101	1.8
75.54662	1.5
83.05037	3.1
85.02946	3.1
87.00881	5.5
95.05017	2.0
96.90857	1.5
101.02441	3.4
102.98611	42.5
107.05044	2.1
113.02351	2.3
120.99686	14.5
149.13359	2.6
151.07646	3.0
151.11220	2.1
169.12369	2.4
181.12344	21.1
193.12334	23.9
194.12698	1.9
201.09271	2.7
207.13911	3.5
209.15601	2.6
211.13417	97.4
212.13774	8.0
217.00305	3.3
225.14940	2.2
227.11130	46.3
228.11462	3.6
237.15015	5.3
241.12704	4.2
245.12187	100.0
246.12448	10.1
253.12648	3.3
255.06673	2.5
271.13742	25.7
273.07675	2.6
296.42203	1.7
297.86429	1.8
315.08759	5.1
315.12775	11.2
333.13788	62.8
334.14038	5.8
362.04535	2.5
375.14862	37.4
375.19656	2.4
375.27518	22.7
376.15207	4.3
376.27991	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69149	0.6
55.01879	1.9
55.26035	0.7
57.03456	2.3
59.01388	17.6
63.54515	0.6
69.03466	1.6
71.01388	21.5
72.99310	1.1
73.02957	6.3
75.96006	0.7
81.07106	1.1
83.01405	4.0
85.02962	11.4
87.00871	0.9
87.04523	3.9
89.02441	6.2
95.01401	2.8
96.74496	0.8
99.00892	2.7
101.02464	12.3
113.02444	7.0
119.03525	2.2
161.04520	1.5
167.68002	0.7
195.10217	1.2
213.11334	28.5
214.11668	1.7
243.07793	1.9
295.56613	0.8
313.07748	0.7
375.16605	100.0
376.16983	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	375.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.7
55.84513	1.2
57.03444	3.6
58.00586	1.7
59.01384	66.5
69.03468	1.2
69.28736	7.9
71.01387	33.6
72.99294	2.6
73.02950	7.2
83.01378	4.1
83.05023	1.1
83.72835	1.2
85.02956	16.9
87.00862	3.7
89.02456	19.0
91.57494	1.2
95.01395	3.3
97.02895	1.1
99.00906	2.5
101.02451	22.3
113.02451	14.6
114.00233	1.3
115.03976	1.5
119.03506	8.5
119.04974	1.1
125.02551	1.1
138.09785	1.2
143.03561	1.7
144.08157	1.8
149.04622	1.6
159.02980	1.3
161.04535	7.3
169.12332	2.1
177.09151	4.0
177.19031	1.2
179.05623	3.7
184.08783	3.6
196.01338	2.2
196.93140	1.1
197.01973	3.1
197.05875	1.8
198.06709	3.3
212.08295	21.9
213.01443	1.7
213.08569	3.4
213.11226	2.2
217.00226	1.2
225.11354	1.9
240.06537	3.3
241.07266	11.9
255.08888	100.0
256.09174	8.5
303.12418	1.4
357.15533	10.9
358.15860	1.4
375.06958	12.7
375.12769	3.1
375.16599	41.1
375.20374	3.6
376.07248	1.4
376.16992	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	375.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.3
57.03441	3.2
58.00595	4.2
59.01385	100.0
59.86998	1.2
60.01675	1.1
61.65311	1.1
69.03468	1.4
69.30492	3.5
69.30908	4.7
71.01389	62.3
72.01727	1.1
72.99306	4.4
73.02959	6.2
77.82674	1.1
83.01398	6.5
85.02961	17.4
87.00886	3.7
89.02452	61.9
93.03464	1.4
95.01399	5.2
95.42067	1.0
96.96030	2.8
98.18992	1.2
99.00886	2.7
101.02451	46.9
111.00874	2.2
113.02460	28.1
115.92070	1.7
119.03515	33.7
123.24676	1.2
125.02482	1.3
131.03517	1.8
143.03502	3.4
149.04510	2.8
151.11317	1.4
159.02959	1.3
161.04610	5.7
169.12349	2.1
177.09236	2.5
179.05647	4.2
195.10243	3.1
213.05647	1.3
213.11383	9.7
217.00272	1.8
232.77190	1.3
243.60928	1.2
259.97729	1.5
289.57126	1.4
302.09109	1.2
357.15555	8.4
375.16605	97.6
376.17050	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	375.185
Annotation	Unknow
Peak:m/z	Relative Intensity
60.97494	0.8
62.51238	0.5
71.05337	0.8
71.05666	0.8
74.99076	4.5
80.60918	0.5
80.61356	0.8
87.42192	0.5
91.80289	0.4
92.81712	0.5
93.00153	2.3
119.49854	0.5
143.05331	0.9
145.41974	0.5
149.00961	1.4
159.07193	0.9
159.08478	14.9
160.08746	0.7
161.06409	5.7
184.81558	0.5
192.98074	1.0
204.68102	0.5
209.01276	5.0
210.01317	0.5
217.07283	2.9
261.04459	0.8
275.06042	2.4
277.07504	4.7
289.07599	3.6
291.09119	100.0
292.09232	13.8
293.06992	0.8
309.10220	0.8
357.13779	2.9
358.13980	0.7
359.15381	96.7
360.15555	16.9
375.18549	5.0
376.18433	0.6
377.16238	0.9
380.52161	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.185
Annotation	Unknow
Peak:m/z	Relative Intensity
70.64327	3.6
74.99083	1.9
79.65191	1.4
93.00153	1.3
98.03095	1.4
112.08347	1.5
159.08479	6.1
209.01378	2.9
242.96960	1.6
291.09128	84.5
292.09360	13.5
314.89880	1.5
359.15375	100.0
360.15573	16.8
375.18655	6.6
376.18631	1.8
398.52243	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	375.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	6.7
57.03445	3.0
59.01384	37.5
69.15662	1.6
69.15967	15.1
71.01391	48.9
71.46164	1.8
72.99323	2.8
73.02959	19.0
83.01396	12.2
85.02959	25.7
86.00100	3.3
87.00866	3.5
89.02457	3.5
91.13283	1.5
95.01401	4.2
97.02944	2.2
99.00887	10.2
101.02454	52.7
113.02473	16.1
117.78996	1.4
119.03567	2.3
125.02451	1.4
129.01915	1.4
131.82683	1.5
143.03407	1.6
155.39929	1.7
159.02963	3.0
161.04590	8.4
168.26852	1.4
217.00301	4.5
318.99716	1.6
331.21317	6.7
375.20245	100.0
375.27051	9.8
376.20618	12.2
376.27927	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	375.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17533	2.1
55.81313	2.3
59.01398	21.1
61.66551	1.9
66.95390	1.8
67.48067	2.2
69.08820	2.2
70.49634	4.1
70.49986	4.9
77.74970	2.3
95.05029	41.3
99.92596	17.8
115.92098	7.8
158.02301	2.1
174.99324	2.8
177.80392	2.4
179.14470	3.2
195.13919	9.0
195.48029	2.7
217.00339	7.6
223.13466	8.7
246.12379	12.0
256.13177	3.1
275.20319	6.0
278.11371	80.2
279.11710	3.2
293.21243	100.0
294.21597	8.5
315.19452	19.6
323.51086	2.3
338.12192	7.3
340.82300	2.7
358.12411	5.8
375.21222	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	375.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.7
58.00584	0.8
59.01384	6.9
68.11230	0.3
69.03454	0.5
71.01386	0.7
71.29525	0.4
71.98650	0.2
73.02929	0.9
80.94973	0.2
81.03491	0.3
83.05019	0.6
85.02959	1.5
87.04514	0.6
97.06621	0.5
99.04418	0.2
101.02436	0.3
101.06076	0.5
111.08144	0.8
113.02474	0.3
120.99651	0.5
123.08147	0.5
125.09735	1.3
127.11281	1.3
130.90707	0.3
137.09717	1.0
143.10739	0.8
145.05067	0.5
149.09682	0.4
153.09215	0.3
155.10825	1.8
157.12373	0.5
163.33890	0.2
171.10268	2.1
173.08182	0.6
187.07735	0.3
201.09358	0.4
201.11290	1.3
211.13426	0.3
213.14893	0.4
216.30020	0.3
217.00319	0.4
227.10963	0.3
229.08716	0.5
245.12067	0.4
251.20119	0.5
273.07758	0.6
281.77591	0.2
287.09210	0.6
311.22385	0.7
315.08783	1.3
327.21954	0.4
327.25519	0.5
329.23328	2.1
330.19641	0.2
333.13910	0.3
339.25397	1.1
355.25009	0.3
357.26471	3.6
358.26828	0.4
373.26019	2.9
374.26138	0.5
375.27502	100.0
376.27832	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	376.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53263	0.5
55.01859	0.6
58.00589	0.5
59.01088	0.9
59.01385	17.2
60.01701	1.3
69.68909	2.4
71.01386	8.6
72.99299	0.7
73.02947	1.0
78.95934	0.8
82.02986	1.7
83.01401	2.0
84.04555	3.5
85.02952	2.1
86.06125	0.5
87.00877	0.8
89.02452	8.3
95.01421	0.7
96.00972	0.7
96.96970	2.3
98.02473	1.2
98.22536	0.5
100.04050	1.0
101.02468	5.5
102.05621	8.6
103.23843	0.5
108.08162	0.6
110.02490	100.0
110.06116	1.0
111.00895	8.4
111.02824	2.1
112.04055	1.0
113.02470	3.9
114.09234	0.8
119.03500	2.3
124.04066	0.6
128.03564	4.1
128.07198	0.8
130.05098	2.1
134.06177	0.8
135.04535	11.0
142.08722	1.1
151.04022	0.6
152.07211	1.9
170.08296	1.6
174.99228	0.8
179.03535	1.2
179.05695	1.3
186.07756	4.5
196.06165	22.8
197.06534	1.2
213.00775	0.5
214.07230	6.2
215.03377	1.4
215.07420	0.5
217.00320	2.2
218.00630	3.3
317.05453	0.5
341.11151	6.2
348.12750	0.6
376.12527	14.5
376.17261	1.0
377.08334	2.9
377.12912	1.3
389.14066	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.0
59.28603	0.5
63.30718	0.5
71.01385	6.9
71.14964	1.1
85.02943	1.6
87.00910	0.6
89.02457	6.9
90.02841	0.6
96.96960	1.3
101.02426	3.0
102.05629	1.1
110.02488	100.0
111.00888	2.9
111.02837	2.9
113.02465	4.6
119.03519	2.5
135.04544	3.8
152.07222	0.6
179.03529	0.8
179.05632	0.9
196.06166	23.3
197.06483	1.1
218.00778	0.7
316.04565	0.9
317.05429	0.6
320.98331	0.5
341.11176	2.8
376.12454	1.2
377.08450	1.9
377.13629	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12113	5.9
57.11214	5.9
59.01388	8.8
69.40308	9.6
69.40710	35.0
72.06858	6.2
73.19466	6.2
133.02968	100.0
134.03761	13.9
140.27777	8.2
160.01796	7.8
177.01907	31.8
178.02763	19.0
179.03493	16.6
220.03748	30.8
221.04645	11.3
226.95631	6.4
227.92258	6.2
253.56351	6.6
264.47015	6.9
274.76978	6.7
280.05942	62.3
303.88336	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	377.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.8
68.61108	0.5
68.61501	0.5
68.99838	2.9
71.01392	3.4
73.02956	1.2
85.02961	1.3
86.22605	0.5
89.02451	1.5
97.02997	0.5
99.00888	0.8
101.02441	2.0
107.05033	2.0
113.02488	2.7
119.03525	0.9
134.03754	2.0
135.04535	100.0
136.04857	4.6
151.04047	4.0
155.07199	0.5
161.04541	1.0
177.01949	0.5
179.03510	23.3
180.03807	0.9
215.03229	0.5
215.09242	0.9
229.66855	0.4
248.48056	0.6
289.08191	0.5
313.09354	1.4
341.08630	14.4
342.09012	1.0
356.44955	0.5
377.09055	0.9
377.14294	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	2.1
59.01381	23.2
67.08195	2.1
70.36195	6.5
71.01390	14.1
80.05062	14.0
81.87466	2.3
83.01409	2.7
85.02961	4.5
89.02455	5.3
93.03487	2.3
96.04549	6.3
99.06986	2.0
101.02454	8.0
104.05101	15.0
105.04607	2.7
105.05323	2.5
106.83420	2.0
108.04553	20.2
113.02450	4.3
115.00390	4.6
119.03535	4.7
121.05317	4.0
122.02472	5.1
122.06129	32.8
124.04056	6.2
132.04553	6.8
133.03030	2.8
134.06122	3.9
136.07661	3.0
138.05615	9.7
148.02911	4.6
148.04050	56.5
149.04443	3.0
153.04318	2.9
160.03995	3.1
161.04745	3.4
162.08197	2.1
172.07777	2.7
174.09273	2.5
176.03508	4.1
177.04289	2.2
184.07675	15.7
186.07954	6.9
187.07735	2.9
190.05138	2.4
191.05586	3.7
192.03044	41.2
194.04546	2.8
200.07123	2.7
202.08734	10.3
203.08372	7.6
204.03244	2.5
204.05290	2.4
210.09286	7.2
212.05884	14.4
213.06682	4.3
215.12714	3.4
226.08752	2.7
227.08275	39.9
228.10355	4.4
229.09822	8.7
238.07458	5.0
243.11449	7.5
244.09834	2.8
245.09309	37.5
248.50803	2.4
253.09843	30.2
255.07729	8.7
256.08441	4.7
268.44858	2.4
271.07257	16.1
271.10876	31.7
272.11102	2.3
273.08655	3.0
286.54227	2.2
289.08340	100.0
290.08517	9.0
297.08749	8.5
299.06693	6.0
315.09872	46.5
316.10184	3.9
317.07541	10.6
359.08755	27.6
377.09787	13.2
377.17847	28.5
377.21442	3.4
378.18219	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	377.109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	5.4
59.01402	5.2
66.31188	1.1
68.73414	1.0
69.87177	3.0
69.87588	2.2
71.01376	4.3
78.95913	4.0
83.01418	1.1
85.02962	2.2
85.57383	1.1
89.02445	4.6
96.96980	6.1
101.02450	100.0
102.02777	1.2
109.76002	0.9
113.02445	6.3
119.03535	1.3
121.97002	1.0
123.81080	1.1
123.93686	1.1
131.03706	1.2
135.04521	6.9
179.03543	1.6
179.05621	3.1
215.03354	2.7
317.07034	1.3
341.11261	6.5
377.08325	3.9
378.30853	1.2
392.35806	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	377.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59859	4.1
56.72460	3.7
59.01376	31.9
69.03460	6.0
69.63184	9.2
69.63589	23.8
70.92362	5.1
71.01390	36.0
78.95931	5.8
89.02450	30.7
96.96971	7.7
101.02446	12.2
104.88400	4.6
110.02489	100.0
111.00886	6.7
111.02148	5.8
111.02826	40.6
113.02463	64.7
135.04541	53.6
173.60646	4.7
179.03545	10.7
179.05566	12.5
185.30528	4.6
192.68515	5.4
196.06131	11.1
197.06456	16.9
204.88754	4.3
280.98029	5.0
341.11084	36.9
377.08176	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	377.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
57.03437	2.5
58.00597	0.8
59.01384	72.3
60.01698	1.1
62.62297	0.6
63.25888	0.5
64.06381	0.5
68.09730	0.5
69.65062	0.5
71.01385	37.7
71.05019	0.9
71.31263	0.7
71.31602	0.8
72.01725	0.9
72.99290	0.9
73.02951	6.2
75.00864	0.8
83.01411	2.9
83.05025	1.3
84.18935	0.5
85.02959	9.4
85.06583	0.7
86.03246	0.7
87.00879	1.7
87.04492	0.6
89.02451	8.1
95.01407	0.9
96.95982	0.7
97.02972	0.9
97.06602	0.7
97.45338	0.5
99.00874	2.0
101.02453	16.1
102.02777	0.9
109.06612	1.0
111.08157	0.8
112.31177	0.6
113.02451	7.7
115.07650	1.6
119.03510	3.3
122.61256	0.5
125.02416	1.3
135.04523	1.3
139.07646	2.2
143.10735	2.1
153.09271	0.7
158.95578	0.6
159.02977	1.0
159.10280	1.0
161.04539	4.5
172.05304	1.0
179.05672	0.6
179.07104	0.9
184.07675	0.8
191.05620	0.8
197.11758	1.6
215.09113	1.1
215.12912	5.6
255.03174	0.8
255.08867	1.0
256.09305	0.8
289.08240	1.5
315.09857	0.6
317.16016	3.5
317.19458	1.1
335.20740	0.8
341.10861	1.0
347.07626	1.4
359.08823	0.9
359.17056	2.8
377.08661	2.3
377.18085	100.0
377.21899	7.8
378.18381	10.8
378.22275	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79259	4.8
57.02517	4.1
59.01384	100.0
69.23672	20.2
69.24094	18.7
71.01386	32.6
73.02921	9.4
80.15105	4.8
81.58456	4.9
83.01373	6.7
85.02956	16.9
87.00871	5.8
89.02463	18.2
94.87479	4.7
98.21783	10.5
101.02438	25.0
109.02951	5.6
113.02441	10.0
119.03521	6.4
133.02975	21.3
135.04510	16.7
137.02409	5.7
139.11319	7.1
152.07085	5.8
155.10760	11.0
159.04559	5.7
161.02477	9.2
161.04512	12.5
162.51273	4.4
163.11282	10.9
177.01947	8.5
177.05589	9.8
179.03500	7.5
181.12355	10.6
183.10214	6.1
187.07687	9.9
201.11363	21.7
203.13490	4.9
213.09061	7.1
215.07126	11.9
225.11467	7.9
231.10320	9.7
257.08252	8.0
275.09259	7.6
280.05905	20.8
317.10349	11.3
317.16006	9.0
331.17535	8.1
335.17029	18.8
377.13037	9.6
377.18036	56.1
377.21820	6.2
386.00049	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	377.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27185	11.2
54.27887	11.3
59.01380	24.5
68.98069	10.9
69.24321	100.0
71.01395	14.2
80.32392	13.9
83.98978	12.6
85.02946	14.3
94.63268	11.3
101.02461	16.7
103.77483	10.3
121.22034	11.9
161.04587	21.5
185.47386	12.7
239.42242	11.4
291.07870	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	378.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.3
61.98834	100.0
68.99806	4.8
71.01361	3.5
78.95903	16.7
80.25127	2.6
82.28172	2.2
86.12942	2.6
89.99741	2.6
96.97007	2.5
96.97648	2.4
99.92569	2.7
101.36940	2.3
104.72967	2.6
111.00895	2.6
116.92881	6.0
142.86859	2.4
145.99536	2.5
152.99606	16.4
197.11856	10.4
228.82675	2.6
258.11398	4.4
281.06314	6.1
315.14542	10.8
318.10748	2.9
331.28018	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	90.1
59.80764	6.1
61.98815	6.2
68.99827	36.3
71.01387	55.7
71.05000	10.7
71.29389	8.2
85.02958	11.6
87.00877	8.3
89.02448	50.6
90.93314	6.9
101.02444	45.0
106.92857	5.6
110.02490	14.0
110.06088	5.7
111.00898	12.4
113.02445	34.6
114.06996	6.5
115.04027	47.3
119.03496	19.3
119.05001	7.4
121.02975	90.8
135.04544	100.0
135.71901	6.3
161.04588	13.0
163.03937	7.7
164.48135	5.4
179.03490	16.1
179.05640	25.3
181.05075	17.8
205.38051	5.5
217.00259	13.8
217.02980	10.9
218.95520	6.5
220.99626	10.9
223.06064	8.4
235.06030	10.4
253.07016	7.1
272.44733	6.1
319.03491	7.4
341.11038	96.5
379.08594	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1613
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.38985	1.1
55.01897	1.7
57.02519	1.0
57.03441	1.6
58.00583	4.0
59.01382	100.0
66.65212	1.0
70.43436	2.9
70.43799	2.0
71.01383	72.1
72.01730	1.5
72.99297	3.8
73.02950	9.8
75.84772	1.0
78.36670	1.1
78.37126	1.1
83.01395	5.4
85.02950	14.8
87.00874	3.4
89.02448	88.0
95.01385	2.9
98.21805	1.3
99.00893	3.6
101.02449	33.6
113.02461	24.9
115.86697	1.2
116.78635	1.3
119.03506	27.0
125.02483	2.3
131.03497	11.7
131.56798	1.6
137.99286	1.1
143.03557	5.6
143.07210	1.4
149.04556	19.3
155.10741	2.6
157.08707	4.7
157.54138	1.2
161.04585	11.5
179.05615	14.4
191.05623	4.2
217.10841	4.1
247.11922	15.5
290.93750	1.2
312.29141	1.5
363.75476	1.6
379.11536	1.6
379.16028	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	379.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95619	0.8
59.01384	100.0
60.01716	1.1
67.02589	0.9
68.99818	1.9
69.84512	0.7
71.01398	7.8
71.28588	1.5
72.78517	0.8
73.02953	1.9
83.01404	1.3
85.02936	1.2
89.02444	9.8
101.02486	4.2
113.02457	2.7
119.03529	4.0
129.41751	0.8
143.03461	1.4
179.05650	1.8
210.96498	1.0
245.00964	0.9
269.70874	0.9
379.19644	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	380.1566
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
50.82677	0.7
51.37601	0.8
56.61215	0.6
57.03436	0.8
58.00566	0.7
59.01387	23.8
60.01731	0.8
68.99815	3.6
70.00121	1.2
70.87939	1.7
71.01390	39.0
71.05028	7.5
72.01721	1.2
72.99304	0.8
73.02931	2.1
78.95953	0.6
83.01401	2.3
85.02946	3.0
87.00848	1.2
88.04050	4.4
89.02454	12.4
95.01409	1.5
99.04531	1.8
101.02457	10.2
111.00877	1.2
113.02454	5.8
116.03551	1.5
116.07206	1.5
119.03550	3.5
126.09209	0.8
128.07159	2.7
129.05540	1.0
137.02431	1.0
143.03481	0.8
146.08247	59.6
147.08614	2.6
161.04570	2.0
170.67935	0.8
179.05583	0.8
200.09305	2.0
214.91661	0.7
235.10313	0.7
299.07971	1.5
308.13550	7.0
323.13419	1.8
362.14523	2.7
374.24664	0.8
380.15643	100.0
381.15982	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33007	0.2
59.01367	1.4
61.29153	0.2
67.94434	0.2
69.38333	0.9
69.38763	0.6
70.35760	0.2
71.01360	0.7
77.03983	0.2
81.03460	0.7
85.02969	0.5
89.02480	0.4
89.03984	2.3
93.03454	0.6
97.02948	1.6
101.02460	0.3
105.03465	4.4
109.02945	0.3
117.03477	0.4
119.05021	1.6
121.02941	1.3
127.00407	0.4
133.02969	9.7
134.03275	0.4
135.04533	0.8
145.02965	0.6
149.02466	1.2
159.04517	1.0
163.04001	2.2
165.80309	0.2
173.04527	0.3
175.07629	1.8
176.01131	0.4
177.01933	100.0
178.02272	5.4
191.05588	2.7
191.07127	0.4
192.05917	0.4
193.05064	0.3
219.06647	4.2
249.12437	0.3
337.09070	0.3
381.08472	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77771	1.3
59.01380	5.9
67.16863	1.3
71.01378	3.9
78.95898	1.8
93.03470	2.1
98.22518	3.2
99.42442	1.3
101.02460	1.2
111.00912	1.7
116.05095	1.8
119.05056	3.3
121.02972	100.0
122.03320	3.1
142.06602	4.1
143.06100	3.3
144.04568	34.7
145.02972	3.6
145.05292	4.9
156.06934	1.6
157.07701	4.4
159.05658	3.9
163.04070	3.3
167.06151	11.3
168.06595	1.5
169.07730	23.4
171.09297	4.8
173.04597	1.9
183.10272	2.8
186.52110	1.3
187.05196	11.1
187.08772	2.3
197.07263	4.3
211.07677	2.3
215.08247	3.8
224.41333	1.5
231.07716	8.1
243.07547	1.5
259.07254	87.0
260.07571	6.7
275.11890	2.3
381.10931	33.2
382.11313	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	381.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	17.0
59.01392	96.5
61.98844	22.5
69.03447	16.5
69.19763	100.0
71.01374	33.9
89.02474	20.4
101.02467	24.4
109.78962	10.5
113.02486	16.5
117.03471	11.6
119.05020	39.0
121.02990	31.4
144.04637	22.2
145.02956	40.0
152.99586	23.8
177.05550	11.9
183.10281	26.8
211.07600	32.9
259.07266	18.7
323.08972	16.1
381.11346	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	381.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	5.2
59.01370	4.5
70.13336	3.3
70.75490	0.9
71.01375	3.4
73.02939	2.4
76.17712	0.9
78.95901	2.7
85.02966	0.9
87.00895	1.2
89.02447	4.0
98.21923	1.4
101.02450	100.0
102.02800	1.6
103.03988	1.0
111.00879	0.8
113.02421	1.5
123.01005	0.8
129.02005	1.5
139.17783	0.9
153.01929	0.9
161.04591	2.1
168.72771	0.9
208.39404	0.9
235.08183	1.3
261.85077	0.9
382.08789	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	381.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	5.1
59.01377	1.3
71.01380	1.8
71.29495	0.8
72.99321	0.7
73.02929	0.6
78.95885	0.7
87.00869	1.1
87.15347	0.7
89.02439	1.0
101.02447	100.0
102.02779	2.1
103.03999	3.1
110.36674	0.6
129.72061	0.7
130.08713	0.8
130.26869	0.7
161.04601	0.7
179.26587	0.6
235.08247	1.0
262.71307	0.6
264.02188	0.6
304.84991	0.9
349.71918	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.7
57.03456	2.8
58.00594	1.6
59.01384	26.9
65.22732	0.6
69.03446	0.6
71.01386	37.5
71.30141	0.8
72.01713	0.8
72.99315	1.9
73.02953	15.9
75.00880	1.3
80.30017	0.5
80.45483	0.5
83.01389	9.3
85.02959	21.0
85.03484	1.1
86.00087	0.7
87.00882	2.1
87.08179	1.0
89.02451	5.9
92.41546	0.6
93.03466	0.8
95.01408	2.6
96.16094	0.6
97.02982	1.4
99.00888	6.9
101.02449	43.6
102.02789	1.1
111.00866	1.9
113.02460	15.1
119.05009	1.4
125.02464	1.5
129.01968	0.9
131.03479	1.0
143.03490	1.8
145.03018	0.6
145.30164	0.5
157.08745	1.1
159.03030	3.9
161.04564	17.7
163.04021	1.2
175.07597	1.2
177.01924	0.7
211.07680	2.2
219.06676	0.8
249.13452	100.0
250.13818	7.4
293.12460	1.3
381.17700	17.8
382.18106	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	381.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.0
57.03439	3.6
58.00590	1.9
59.01089	1.9
59.01385	32.2
67.01884	0.9
69.03456	1.8
71.01389	48.9
71.28764	1.0
72.01725	1.1
72.99318	1.6
73.02951	26.8
75.00879	1.9
81.03494	0.9
83.01386	12.7
83.84872	1.0
85.02964	25.8
86.00114	1.3
87.00882	3.4
89.02459	11.1
93.03481	1.4
95.01408	4.0
96.95995	1.0
97.02959	3.2
99.00889	10.1
101.02454	55.7
111.00880	3.2
113.02464	21.2
115.03967	1.9
119.03521	1.4
119.05030	2.3
125.02462	3.4
129.01967	1.7
131.03497	2.4
135.04524	1.2
143.03517	2.9
145.02957	1.8
152.99551	1.1
159.02966	4.7
159.04456	2.6
161.04588	17.4
163.04019	2.9
173.04541	1.9
174.11189	1.0
175.07649	2.6
183.10284	6.1
189.01974	1.0
191.05547	2.1
211.07640	2.1
219.06676	4.3
233.06688	1.8
249.13458	100.0
250.13797	5.7
277.57217	0.9
305.68347	1.0
381.17676	75.1
382.18069	6.7
401.14767	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97745	0.7
53.28596	0.6
59.01384	100.0
60.01689	0.8
71.01373	3.6
73.02962	1.6
85.02947	2.8
89.02479	1.0
92.20791	0.6
96.07961	0.7
99.00887	1.0
101.02448	3.9
113.02441	1.0
113.57832	0.7
118.98106	3.9
119.03588	0.7
119.05065	1.2
145.01840	0.7
145.02971	3.2
161.04585	2.3
163.03937	1.1
175.07544	1.1
211.07678	1.4
219.52881	0.8
238.21883	0.7
321.19183	8.2
345.15616	1.2
381.19659	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62459	0.7
57.06908	0.6
59.01383	100.0
60.01703	1.4
69.17653	3.0
69.18075	3.7
70.63770	0.7
71.01389	3.4
72.43435	0.7
73.02950	2.0
74.20554	0.6
78.95928	2.5
83.01408	0.8
85.02985	1.7
89.02485	0.7
90.51875	0.6
94.75397	0.6
95.06813	0.7
99.00916	1.4
101.02470	2.1
106.92307	0.7
113.02456	1.7
117.33678	0.7
118.98077	0.8
121.62505	0.7
145.03004	1.0
152.99632	1.6
161.04591	2.2
177.13669	0.7
177.60699	0.7
192.26709	0.7
272.68723	0.7
321.19217	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	381.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
71.30784	88.9
72.10601	64.3
147.16776	78.7
149.11246	61.3
297.86737	77.8
332.59329	67.4
381.30042	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	381.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34077	100.0
69.99490	14.2
82.44551	10.8
98.21803	27.6
124.80173	12.7
153.14502	12.0
295.63501	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	381.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	97.2
68.14831	89.9
75.92045	87.4
93.18107	91.3
158.90669	93.2
174.46518	100.0
176.36505	88.9
349.62579	86.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80853	0.6
56.16485	0.5
57.03442	0.8
59.01384	4.3
66.92065	0.5
69.11613	1.2
69.12017	3.8
71.01375	2.4
72.52034	0.6
73.02975	0.6
75.00876	2.3
84.83686	0.6
85.02964	1.3
87.00871	0.8
89.02448	1.5
93.03459	1.1
95.01376	0.7
101.02445	1.4
107.05035	1.2
113.02464	0.7
117.03484	1.8
119.05035	18.6
121.02933	0.7
123.04524	0.5
129.88025	0.6
134.03734	3.6
135.04530	94.2
136.04855	4.6
145.02954	18.4
146.03253	1.1
159.04485	0.8
163.04013	14.8
164.04372	1.2
166.59782	0.5
177.01785	0.5
179.03505	100.0
180.03831	4.8
203.03439	0.6
203.10782	0.9
207.05157	1.7
221.04543	10.1
221.08136	0.7
221.11798	1.5
227.07205	0.7
325.09323	0.9
337.18777	0.8
383.09732	5.1
383.13278	0.5
384.13190	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	383.099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	4.9
69.56976	0.7
71.01376	4.1
71.29252	0.9
74.02453	0.8
75.00883	5.9
85.02951	2.7
87.00887	1.0
89.02467	2.0
93.03455	0.8
101.02442	1.6
107.05045	0.9
113.02499	2.0
117.03497	1.7
119.05040	29.3
119.69881	0.7
120.05405	1.1
127.04035	0.9
134.03741	3.6
135.04538	89.6
136.04840	5.6
136.31610	0.8
145.02965	30.8
146.03268	1.1
163.04028	24.9
164.04372	1.2
177.02029	0.8
177.05667	0.9
179.03516	100.0
180.03856	5.5
203.03650	0.8
207.05101	2.8
212.54039	0.8
221.04581	14.0
221.11711	1.2
227.07208	1.1
277.30374	0.8
383.09778	7.1
383.13791	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11318	22.8
50.88663	20.4
52.53391	23.2
59.01371	87.6
61.98833	48.0
71.01376	69.9
71.28267	38.6
84.92722	23.0
85.02942	39.8
89.02473	55.2
96.96024	25.2
101.02470	65.3
107.26984	25.2
119.05025	69.6
135.04564	79.8
145.02960	100.0
157.12654	24.1
161.04616	36.6
163.04024	79.2
178.02388	32.7
179.03537	63.9
190.57338	30.4
190.67804	23.9
193.04996	34.1
199.31314	24.8
203.03668	22.5
221.04611	50.1
221.12000	26.1
267.53857	25.5
290.73193	24.1
337.18884	31.4
383.09866	40.9
383.14722	33.4
385.65530	25.2
387.43137	27.6
392.58411	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	383.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	14.5
64.41588	5.3
65.99245	5.3
71.01389	12.4
71.29777	5.1
71.30186	8.4
83.58222	5.5
89.02428	8.4
96.56281	5.1
101.18863	4.7
113.74052	5.2
127.04098	5.4
128.13058	5.8
135.04527	100.0
169.81360	5.3
170.31174	5.9
177.05557	13.6
179.03514	53.9
221.08217	14.8
383.13544	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	383.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09361	5.4
51.53601	6.7
59.01387	84.5
60.01710	7.0
61.98829	6.6
69.03410	5.6
71.01384	15.1
71.30083	8.8
71.30463	10.5
85.02937	8.1
89.02440	9.5
94.81638	5.7
97.06602	5.4
101.02468	8.5
107.84557	4.9
110.39977	5.9
113.02484	7.5
118.98091	46.2
120.99670	21.2
135.04544	7.9
181.33629	6.7
185.11861	100.0
205.08643	6.8
347.17258	9.3
383.21393	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	383.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29008	2.1
55.01891	2.6
56.59877	1.9
57.08575	2.0
59.01381	100.0
61.74368	2.1
70.65028	6.3
71.01390	24.1
72.64541	1.9
72.99291	2.5
73.02959	6.0
76.08624	2.0
83.01382	3.9
85.02965	8.4
85.60313	2.2
89.02444	18.9
96.96021	3.6
97.05702	2.2
99.63741	2.3
101.02437	16.9
113.02455	9.4
119.03492	5.3
119.05054	3.1
135.04514	9.3
138.61931	2.0
161.04588	7.2
163.03914	3.3
179.03468	6.6
179.05682	2.3
221.04601	6.9
251.11359	16.8
264.95172	2.5
301.05017	2.6
323.13580	6.8
323.17117	3.1
358.37979	2.3
384.16611	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	384.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	59.6
61.97201	19.2
61.98830	47.9
71.01382	43.6
71.29384	29.0
71.30103	25.9
75.00857	27.0
76.55427	21.6
89.02464	39.9
96.64496	23.7
113.02420	29.0
117.03848	21.7
119.05018	86.5
121.04250	24.0
125.03777	22.1
128.16199	24.5
161.04686	31.9
163.04039	100.0
406.78314	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	384.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.8
69.73116	0.5
70.24088	0.5
70.24426	1.9
71.01381	3.6
73.02920	0.9
83.01398	1.0
84.02170	0.6
85.02979	2.7
87.33794	0.5
89.02450	2.5
95.01389	0.7
97.02934	0.7
101.02451	2.2
106.04241	1.5
108.08195	4.8
113.02470	2.2
119.03484	0.8
121.05350	2.5
135.03316	0.5
135.11827	1.8
136.04097	6.9
136.07690	100.0
137.08044	4.0
145.32851	0.5
147.79976	0.6
148.04167	0.7
148.07706	1.9
150.05698	0.5
150.09244	1.5
152.03549	1.0
153.04320	0.5
161.09718	4.0
164.07156	2.8
176.07167	1.2
178.59827	0.5
179.05640	0.7
179.10791	17.5
180.06667	51.9
181.07033	2.3
192.06758	0.7
194.08223	20.2
195.08495	1.0
203.10808	2.0
205.08624	0.7
206.08324	0.5
220.09796	1.5
222.05531	0.9
222.07724	15.7
223.07892	0.8
223.09808	6.6
239.20076	0.5
263.22122	0.5
363.25385	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.9
66.48571	3.3
67.18678	2.9
70.81889	4.2
70.82233	7.0
85.09225	2.9
88.67541	3.0
89.84634	3.1
100.03150	4.0
108.70651	3.3
119.05034	98.9
119.96078	3.1
120.05341	3.6
153.26109	3.6
163.04021	100.0
164.04343	5.2
169.07246	3.3
170.53180	3.5
215.58350	3.4
218.94611	3.2
243.62526	3.0
287.45029	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71694	0.8
57.30262	1.0
59.01384	22.5
60.01729	0.9
62.46939	1.1
69.68416	5.0
71.01374	6.0
73.02941	1.5
83.01373	2.2
83.05035	1.2
85.02929	2.6
89.02459	4.0
101.02449	3.6
106.04224	3.4
107.05022	1.2
107.08673	2.2
113.02447	4.6
114.28537	0.9
130.50624	0.9
130.68616	1.1
133.10312	1.0
135.11815	9.8
145.73964	1.0
161.09726	9.7
172.85138	0.9
175.11282	1.1
179.10788	100.0
180.11082	6.4
203.10770	4.7
205.08762	2.1
222.12326	1.0
223.09773	24.5
224.10048	1.8
247.09886	1.2
265.10809	1.9
275.82211	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	55.5
63.85081	13.7
70.57648	18.2
70.57987	30.8
71.01385	20.1
89.02461	38.7
113.02473	16.9
121.02915	18.9
135.04478	18.8
149.02454	50.3
164.04796	35.4
181.05109	46.0
193.01395	34.7
208.03798	55.9
223.06090	100.0
245.23071	15.0
284.64069	18.2
385.16306	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.3
59.01387	100.0
61.98844	6.9
69.41430	12.1
69.41855	20.4
71.01395	82.7
73.02956	9.6
85.02927	21.5
89.02451	73.0
96.96021	8.6
97.02974	4.9
97.41537	4.4
98.21831	9.6
101.02449	40.7
113.02489	35.6
116.07186	7.2
119.03522	31.4
122.03721	10.5
138.06863	5.1
152.08389	5.9
153.09177	17.9
158.01895	4.9
161.04584	11.5
179.05579	6.2
179.10789	6.5
181.08722	68.5
187.11359	5.1
205.12364	13.2
223.13322	8.6
385.21002	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	385.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.3
59.01387	100.0
61.98844	6.9
69.41430	12.1
69.41855	20.4
71.01395	82.7
73.02956	9.6
85.02927	21.5
89.02451	73.0
96.96021	8.6
97.02974	4.9
97.41537	4.4
98.21831	9.6
101.02449	40.7
113.02489	35.6
116.07186	7.2
119.03522	31.4
122.03721	10.5
138.06863	5.1
152.08389	5.9
153.09177	17.9
158.01895	4.9
161.04584	11.5
179.05579	6.2
179.10789	6.5
181.08722	68.5
187.11359	5.1
205.12364	13.2
223.13322	8.6
385.21002	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	385.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18456	0.7
55.01882	3.7
55.13541	0.7
57.03456	3.9
58.00590	3.2
59.01385	68.2
60.01720	0.7
69.03461	0.7
69.23541	2.5
69.23958	2.9
71.01389	68.8
72.01729	1.3
72.99315	2.5
73.02953	12.8
83.01385	3.8
83.05046	1.9
85.02961	24.2
87.00892	2.1
89.02456	34.3
95.01382	5.6
95.05042	2.2
97.02964	6.4
99.00896	6.1
101.02452	35.7
101.39918	0.7
108.05817	2.5
109.06624	2.1
111.04552	1.4
111.08190	0.8
113.02464	26.5
113.06113	3.8
114.02811	0.9
119.03516	12.2
119.04977	0.7
122.03757	2.1
123.08173	4.7
125.06085	3.2
129.01952	0.9
131.03529	1.5
135.08244	0.8
136.05318	3.5
137.06107	2.4
137.09807	0.7
138.06888	25.9
139.07689	10.8
143.03529	2.1
149.06116	1.3
151.07668	26.8
152.04846	2.7
152.08447	47.3
153.09233	100.0
154.09572	5.4
156.10732	0.7
159.03026	3.5
161.04584	15.4
161.09756	0.7
163.11340	4.5
165.09215	1.8
167.07149	1.7
179.05620	2.6
187.11290	1.3
190.09999	2.5
205.12344	30.7
206.12683	2.5
223.13429	12.6
385.18686	6.4
399.12958	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	3.4
56.27033	1.1
57.03459	6.6
58.00623	2.8
59.01386	72.3
61.64939	1.0
61.72363	1.2
69.27937	8.4
71.01390	93.9
72.01733	2.6
72.99319	4.9
73.02956	19.0
75.00886	1.6
80.96519	1.4
81.03467	2.4
83.01407	7.8
83.05022	1.3
85.02962	31.7
86.03306	1.7
86.57237	1.2
87.00888	5.3
89.02457	46.2
93.03449	1.5
93.28620	1.2
95.01418	8.4
95.05057	2.1
97.02967	5.2
99.00890	6.9
101.02461	41.0
108.05867	2.4
109.06583	2.4
113.02467	33.9
113.06090	4.4
114.02797	1.1
119.03519	15.6
122.03761	2.4
123.08186	5.4
125.06134	1.7
131.03534	2.1
135.08180	2.6
136.05359	4.3
137.06102	2.7
137.09772	2.2
138.06871	23.9
139.07709	8.6
143.03511	4.0
149.04533	1.7
149.06021	1.6
149.09673	1.4
151.07655	23.6
152.04855	2.7
152.08447	42.6
153.09236	100.0
154.09602	4.8
159.03001	4.5
161.04572	21.4
163.11288	6.1
165.09250	4.0
167.07249	2.3
179.05661	4.0
181.08710	15.2
182.09155	1.3
187.11328	6.3
189.09326	1.3
190.10034	2.3
195.33627	1.2
205.12360	37.5
206.12697	2.5
223.07701	1.8
223.13423	23.5
224.13809	1.7
385.18591	13.2
385.22375	1.6
386.18719	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.8
55.22596	0.8
57.03446	1.7
58.00597	3.8
59.01387	100.0
59.50172	0.9
60.01722	1.0
69.52454	6.1
71.01392	68.8
72.99312	4.4
73.02962	3.8
83.01398	1.5
84.19284	1.1
85.02973	12.2
87.00886	3.0
89.02457	76.1
90.02823	1.5
95.01434	4.5
101.02453	31.1
113.02462	26.1
119.03515	31.4
131.03534	2.9
143.03511	3.3
149.04608	1.8
153.09241	5.2
161.04604	3.8
172.04597	1.0
179.05704	5.1
205.12253	8.2
223.07707	1.0
223.13393	12.0
224.13727	1.1
244.92627	1.1
328.02548	1.2
382.95956	1.1
385.18433	6.1
385.22952	1.8
397.34634	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1872
Annotation	Glochidionionoside C
Peak:m/z	Relative Intensity
55.01873	5.9
57.03455	9.1
58.00600	2.9
59.01385	89.6
70.67224	3.2
71.01388	100.0
72.01728	1.5
72.99325	6.9
73.02957	19.6
80.08383	1.1
83.01403	10.7
85.02959	38.6
87.00880	5.4
89.02455	66.0
90.02758	1.5
95.01388	8.9
97.02951	1.3
99.00889	6.5
101.02451	56.4
102.02773	1.8
113.02467	37.1
114.02788	1.4
119.03508	33.9
125.02535	1.2
131.03537	1.8
140.67236	1.1
143.03481	4.1
149.04546	3.3
158.38472	1.1
159.03008	2.9
161.04544	11.0
161.13371	52.8
162.13724	2.8
179.05609	5.8
205.12363	3.1
277.97525	1.3
385.18704	36.7
386.18982	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	386.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.9
61.98834	100.0
71.32200	4.0
71.32565	3.1
85.03551	2.4
87.44502	2.3
90.14267	2.3
109.31433	2.3
197.51976	2.4
237.49077	2.3
302.05170	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	387.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	68.8
64.69363	3.2
69.01403	5.5
69.01804	30.4
71.01386	52.3
72.99319	4.1
74.47205	4.0
85.02956	7.0
88.87698	3.0
89.02448	65.7
101.02441	33.1
113.02467	20.7
119.03509	26.3
161.04550	8.8
179.05621	29.6
296.08893	3.8
341.10904	100.0
344.13507	4.9
387.14038	13.9
388.12228	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	387.141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	5.6
57.03439	2.7
58.00591	2.4
59.01386	78.5
66.03477	1.1
68.98425	1.1
68.98569	1.9
68.98991	7.9
68.99301	1.1
71.01389	57.3
72.99295	3.8
73.02944	11.8
73.22061	1.0
78.03479	1.2
78.18409	1.0
80.05049	6.2
83.01390	10.2
85.02953	21.4
86.00082	1.8
87.00864	3.4
89.02454	38.2
95.01392	4.0
96.04565	30.9
96.91053	1.0
99.00882	4.0
101.02451	43.7
101.03120	2.4
111.00891	5.8
113.02460	25.2
119.03518	16.2
120.94599	1.1
129.01942	2.0
131.03500	2.0
138.05588	5.6
143.03516	2.5
149.04521	1.4
159.02991	3.3
161.04602	9.0
179.05664	6.0
181.09853	10.2
182.08232	2.0
209.09358	1.7
224.09454	1.3
327.11981	1.3
343.15033	9.7
344.13477	43.3
369.13049	2.4
387.14117	100.0
388.12427	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72111	1.2
55.01865	4.3
55.47826	1.4
57.03434	2.3
58.00593	1.9
59.01385	38.2
65.41656	1.3
70.51350	3.9
70.93713	1.3
71.01386	38.5
73.02951	12.8
80.05069	3.0
83.01390	9.2
85.02959	16.1
87.00854	2.0
89.02457	13.9
95.01358	3.4
96.03983	1.9
96.04564	28.4
97.02930	1.8
99.00897	3.0
101.02448	33.2
104.67928	1.4
108.04614	1.7
108.80415	1.4
111.00906	7.6
113.02460	15.9
119.03492	7.0
129.01950	1.6
138.05649	4.6
143.03499	3.0
159.03017	2.2
161.04539	10.7
167.50873	1.5
169.12032	1.3
179.05591	2.2
181.09862	14.5
192.05460	1.3
195.99428	1.4
209.09398	1.7
266.19348	1.7
328.12378	1.4
343.15173	8.3
357.13037	1.6
369.13095	2.6
387.14105	100.0
388.14624	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	387.1666
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.04588	1.3
57.03440	3.3
59.01385	100.0
60.01710	2.2
61.98836	1.6
66.55948	1.7
69.42651	11.0
69.42995	1.4
71.01388	52.5
72.99299	3.4
73.02954	42.1
74.30365	1.6
83.01403	16.3
85.02958	13.3
87.00890	6.2
88.77774	1.4
89.02449	19.8
94.03043	1.4
95.01412	3.1
95.05029	1.8
97.02971	2.8
99.00881	2.7
99.04552	1.4
101.02453	50.6
113.02460	13.6
118.98085	1.9
119.03510	6.6
121.10223	8.9
125.02454	1.9
131.03500	2.5
139.07765	1.6
143.03497	3.5
146.56967	1.4
149.04623	1.9
159.02982	1.7
161.04588	8.5
165.09206	12.0
183.10281	2.3
193.15990	1.9
207.13882	2.2
283.10770	1.6
301.16599	6.5
327.14520	3.8
345.15671	9.8
345.19189	1.7
387.16559	47.0
387.24039	21.3
388.16983	6.0
388.24265	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	387.1664
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.01875	1.2
55.71920	1.2
56.54994	1.0
57.03460	1.6
59.01379	14.7
63.94466	1.4
67.40352	1.0
67.75606	1.1
69.39433	6.8
71.01390	9.4
73.02948	14.7
78.92970	0.9
82.48614	1.3
83.05013	2.2
85.02969	3.7
87.00895	2.1
87.04523	1.9
89.02454	7.1
95.01409	1.8
95.05042	2.9
97.06609	2.0
98.21756	2.0
101.02457	4.1
104.98392	2.4
105.51055	1.0
107.05083	1.8
109.06597	2.5
113.02465	5.4
119.03510	3.9
120.06312	1.1
157.08713	5.2
159.29271	1.1
161.09695	1.7
163.11267	16.8
175.62083	1.1
179.10803	2.8
180.11058	2.3
181.12370	75.8
182.12666	5.8
205.12306	1.3
207.10278	3.9
225.11333	100.0
226.11716	6.8
249.11395	3.3
267.12286	2.4
283.11310	1.2
327.21356	1.2
387.24036	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	387.2029
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
55.01894	1.0
59.01387	100.0
60.01734	0.8
69.03754	4.5
69.04181	2.8
71.01388	23.6
72.99330	1.8
73.02953	10.6
75.00867	0.7
83.01400	3.5
85.02952	7.0
87.00887	1.6
87.04545	0.8
89.02453	14.1
95.01411	2.1
95.27491	0.8
99.00900	1.9
101.02458	18.2
110.02529	1.7
113.02470	10.8
119.03511	6.6
131.03563	1.3
143.03529	2.1
159.03119	0.8
161.04581	4.7
179.05649	3.4
225.15173	0.9
345.19083	4.8
346.00220	0.7
346.19702	0.8
347.14008	0.7
387.14981	1.0
387.19876	1.2
387.24197	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	387.2029
Annotation	Sedumoside H
Peak:m/z	Relative Intensity
52.09691	1.4
54.60644	1.3
55.01893	11.1
57.03456	8.9
59.01388	65.5
65.94061	2.1
69.08138	12.5
71.01391	97.4
72.99319	2.6
73.02954	37.1
75.00867	2.7
81.00117	1.5
83.01398	21.3
85.02958	55.7
86.00121	2.9
87.00876	5.5
89.02446	14.3
90.58322	1.2
95.01428	7.7
97.02950	3.4
98.21806	3.2
99.00900	16.6
101.02454	93.8
102.02810	1.9
110.02518	2.2
111.00885	3.5
111.10074	1.6
113.01730	2.8
113.02468	40.1
118.39164	1.5
119.03514	6.3
125.02469	3.2
126.20464	1.4
129.01888	1.8
143.03490	4.5
159.03012	9.2
161.04575	26.3
205.03355	2.1
230.82735	1.7
239.09370	2.2
249.56625	1.4
280.33911	1.7
297.34338	1.4
343.21353	11.7
387.20233	100.0
388.20541	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	387.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37547	0.6
55.01879	4.9
57.03453	7.1
58.00592	3.1
59.01384	71.4
60.01719	0.8
61.16449	0.7
61.98836	20.2
62.76040	0.7
67.01899	0.8
69.03459	1.6
69.51405	4.4
70.21958	0.7
71.01389	100.0
71.05037	1.5
72.01724	2.2
72.99316	3.3
73.02956	21.4
75.00862	0.7
81.07085	1.2
82.03024	0.7
83.01402	7.6
83.05051	3.4
84.02167	1.0
85.02959	37.6
86.03312	0.9
87.00894	3.4
88.81738	0.6
89.02457	41.1
95.01402	7.4
97.02993	1.7
99.00882	10.5
101.02454	46.2
102.02786	1.3
105.07117	1.1
107.05048	1.0
113.02460	39.4
113.58076	0.6
114.02831	1.5
119.03526	12.2
119.80340	0.7
121.06643	2.2
121.10240	1.0
122.02498	1.6
123.08179	39.4
124.08482	2.4
125.02445	1.7
130.54288	0.6
131.03568	2.0
135.08247	0.7
137.09735	13.8
138.06894	1.0
143.03502	3.4
145.10269	0.9
149.04590	1.1
153.09282	3.4
155.08653	1.7
159.02982	5.8
161.04575	26.3
162.04945	0.9
163.11308	32.1
164.10716	8.9
167.10851	0.8
171.11818	2.7
173.09776	3.5
179.05670	2.7
189.12866	53.5
190.13243	3.9
205.03462	0.9
207.13921	65.5
208.09863	2.1
208.14250	6.3
225.15012	8.2
325.54041	0.8
388.16226	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	387.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80103	1.4
55.01881	4.3
57.03455	7.4
57.15884	1.4
58.00603	3.0
59.01385	76.2
59.74212	1.4
69.71632	6.6
71.01386	100.0
71.05028	1.7
72.99314	6.6
73.02953	20.3
81.03458	1.6
83.01382	8.5
83.05040	7.0
85.02958	34.8
87.00893	3.6
89.02451	38.8
95.01395	6.2
97.02942	1.8
99.00890	9.2
101.02449	49.6
102.84972	1.4
107.05042	2.2
113.02456	39.3
119.03493	16.3
121.06616	2.5
121.10262	1.7
123.08174	53.5
124.08519	2.9
126.02019	1.5
135.18973	1.3
137.09731	20.9
138.06870	2.1
139.07654	2.1
143.03494	4.5
147.08194	1.7
150.88393	1.4
153.09259	3.0
155.08673	1.6
159.03012	6.4
161.04572	19.8
161.93576	1.6
163.11301	48.0
164.11679	1.8
166.25418	1.4
171.11809	3.6
173.09761	4.7
179.05605	3.2
189.12871	68.4
190.13179	4.8
207.13924	95.5
208.14230	6.3
225.15009	9.9
264.25732	1.4
369.19104	4.0
387.16116	1.7
387.20325	2.1
388.11938	2.3
398.36356	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	387.203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92811	1.2
53.87394	1.3
55.01882	4.0
57.03448	9.6
58.00601	3.0
59.01387	73.2
69.03485	2.1
71.01391	93.5
71.05013	3.0
71.30318	2.6
72.99309	4.7
73.02957	20.5
83.01402	7.1
83.05036	4.6
85.02959	35.5
87.00886	4.1
89.02455	44.1
95.01405	6.1
97.02966	2.0
99.00890	10.6
101.02448	47.3
102.02824	1.9
107.05045	2.5
111.00904	1.7
113.02460	37.8
119.03520	12.3
121.06606	3.5
123.08178	58.2
124.08536	1.5
125.02441	2.2
137.09743	18.9
138.06915	2.3
143.03511	3.3
144.38420	1.7
147.08148	2.2
153.09288	3.0
159.03006	5.4
161.04575	17.8
163.11298	49.5
164.11661	3.1
171.11848	6.1
173.09711	4.6
179.05656	5.2
189.12869	66.8
190.13248	4.4
207.13922	100.0
208.14249	7.9
225.14951	11.2
369.19547	2.0
387.16406	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	387.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.6
57.03454	5.3
58.00591	3.9
59.01385	95.1
60.01706	1.5
69.02446	2.3
69.02864	7.6
69.03458	1.0
71.01389	100.0
72.01737	1.6
72.99308	5.5
73.02572	1.5
73.02956	15.9
83.01402	6.9
83.05048	1.6
85.02962	28.4
86.92403	0.9
87.00891	4.6
89.02454	80.7
90.02777	1.9
95.01400	5.8
97.02970	2.1
99.00890	6.7
101.02457	57.5
102.02772	1.7
113.02462	42.5
115.04008	0.9
119.03516	37.9
121.06609	2.2
125.02467	1.9
131.03523	4.3
137.09734	6.7
139.07690	0.9
143.03537	7.1
147.11783	1.0
149.04565	3.0
155.08708	1.2
159.02994	4.8
161.04581	29.7
171.11815	3.8
173.09726	5.1
179.05655	14.0
187.11324	1.2
189.12872	61.5
190.13217	4.1
207.13924	43.8
208.14247	3.4
225.14969	9.8
317.05435	0.9
387.14960	1.7
387.20258	25.3
388.20810	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	387.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67575	15.6
56.01423	13.4
56.70123	16.4
69.36720	100.0
82.83662	18.0
108.59509	15.5
126.31443	15.2
156.52309	13.6
160.83284	17.4
207.11342	14.2
256.38474	14.5
373.27710	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	388.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	11.0
61.98837	100.0
69.35377	14.1
71.01374	7.0
80.05068	1.9
89.02448	5.1
99.59077	2.2
101.02469	3.9
119.03432	2.6
142.63811	2.1
147.44258	2.3
149.02414	5.1
162.83928	2.2
165.05463	2.4
190.04845	2.2
210.03322	2.2
330.12128	2.5
388.12637	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	388.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77179	2.3
55.38929	2.1
59.01379	24.8
61.98831	100.0
62.87124	2.6
69.36929	18.5
71.01373	11.0
85.02953	2.7
89.02452	7.9
99.09509	2.3
101.02448	7.8
102.98581	2.9
113.02434	3.0
119.03528	2.8
147.85007	2.2
150.03340	2.9
167.06958	3.1
211.06079	2.9
244.07214	2.3
264.70151	2.2
295.47055	2.2
329.11874	3.1
388.16238	5.1
389.13913	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	388.089
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	1.3
58.99607	1.8
59.01385	41.9
59.58987	0.7
59.77602	0.9
60.01715	2.3
61.98837	100.0
70.68587	2.2
71.01388	25.1
71.05029	2.2
72.01744	1.0
72.97533	6.0
72.99312	2.0
73.02911	0.8
82.02981	3.3
83.01369	1.3
83.05017	0.9
85.02947	3.8
87.00883	1.3
89.02451	23.0
90.02776	1.1
94.03001	1.3
95.01412	4.1
96.04600	1.8
97.06612	2.6
99.00863	1.0
101.02454	14.7
102.02758	1.2
102.98621	5.1
107.03780	1.2
109.01723	1.3
110.02487	1.9
113.02465	9.5
119.03513	11.3
120.03890	0.8
120.99615	1.1
122.02488	11.9
131.03511	1.8
134.97598	1.3
138.01939	1.2
143.03496	1.4
150.03249	2.5
160.75339	0.8
161.04572	1.9
163.11354	1.1
164.10814	46.1
165.05554	1.9
165.11093	1.2
179.05611	2.3
191.05649	1.4
193.05098	1.9
197.10046	1.6
206.11774	1.0
208.09850	1.0
210.11362	1.8
225.11317	1.7
226.10794	1.2
259.10178	3.0
347.11716	2.5
381.62140	0.8
388.11880	1.6
388.16364	18.2
389.12845	3.1
389.17542	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	388.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.5
57.03436	1.7
58.00587	2.1
59.01382	88.9
60.01700	2.7
71.01385	42.1
71.29137	1.6
71.29496	1.7
72.99303	3.3
73.02926	2.3
78.95914	7.5
79.36024	1.4
80.05029	6.2
81.03431	2.0
83.01378	2.9
85.02955	19.2
86.69228	1.8
87.00860	2.7
89.02453	46.8
90.02789	2.0
95.01365	4.2
96.04575	8.4
96.95994	1.8
96.96981	12.7
99.00831	1.4
99.04523	2.3
101.01832	2.5
101.02451	31.7
111.00899	8.0
113.02450	18.4
119.02784	1.9
119.03503	19.4
120.08328	1.5
127.03984	4.3
129.01921	7.9
131.03487	2.2
138.05544	2.5
143.03497	1.9
160.21132	1.4
161.04482	3.6
162.04875	1.4
166.08702	2.0
179.05597	7.8
182.08177	2.3
224.09154	1.7
239.14746	1.4
291.07272	8.1
342.11105	2.8
344.13474	61.1
345.13742	5.6
367.89160	1.5
370.12988	1.4
388.12439	100.0
389.12726	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	388.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32979	1.0
53.70310	1.0
58.00597	3.1
59.01386	55.8
60.34213	1.1
61.65846	1.1
63.36901	1.3
70.31380	1.9
71.01389	31.0
72.99307	2.4
73.00565	1.0
73.02954	1.2
80.05057	2.1
83.01403	2.5
85.02965	6.7
87.00914	1.6
89.02454	36.0
95.01395	1.2
96.04546	5.1
99.00905	1.4
100.28284	1.2
101.02454	20.3
102.22559	1.0
113.02456	15.2
119.03503	13.7
120.08254	1.4
126.62770	1.0
143.03476	1.5
161.04582	1.6
164.07080	1.3
166.08815	1.7
179.05615	5.2
182.08257	3.4
344.13531	61.4
345.13846	7.2
373.16806	1.1
388.12512	100.0
389.12875	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	388.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.8
56.68356	1.8
57.03432	3.3
57.46598	1.9
58.00594	3.1
58.99620	1.8
59.01383	85.4
60.01716	3.1
60.31563	1.6
60.48999	1.6
61.98841	10.6
68.99817	1.8
71.01387	54.1
71.31176	3.2
72.01731	1.9
72.97518	3.3
72.99313	6.2
73.02938	4.1
81.03483	1.8
82.03004	5.1
83.01397	3.0
83.05034	4.8
85.02950	14.3
87.00888	4.9
89.02453	57.1
93.03492	3.6
95.01395	6.6
96.00963	2.0
96.96016	1.7
99.00928	2.0
101.02454	30.3
102.98623	4.5
107.03782	5.6
108.04567	3.7
109.01704	4.4
110.02502	5.3
113.02468	21.9
115.00378	1.8
119.03517	28.7
120.99622	2.3
122.02491	57.4
125.02471	3.2
130.68616	1.8
131.03491	2.7
132.04543	2.0
138.02028	3.0
143.03546	2.9
149.02432	3.0
150.03212	4.1
161.04588	2.8
164.10812	100.0
165.11140	5.2
167.10773	3.8
168.11093	4.1
169.80061	2.0
178.02754	2.2
179.05479	2.3
182.08263	2.6
183.10298	6.3
193.05093	3.9
194.53693	1.7
197.10194	1.8
204.80147	2.0
208.09776	4.2
210.11314	4.4
225.11314	2.0
226.11545	3.7
227.09299	6.7
257.12939	2.5
259.10184	3.3
388.16345	26.8
389.17413	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	388.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50641	1.6
55.52766	1.5
57.03442	5.6
59.01384	88.4
61.98829	13.5
69.34602	12.0
71.01389	57.2
71.05022	2.7
72.01715	2.6
72.99310	5.1
73.02951	4.6
73.10659	1.8
79.22083	1.9
79.55787	1.8
82.03011	8.5
83.01375	4.9
85.02962	18.8
87.00903	4.4
89.02454	64.5
93.03468	2.1
95.01393	7.9
96.00946	2.2
97.06599	2.8
98.71919	1.6
101.02464	34.8
102.02803	2.3
102.98609	4.5
107.03786	4.4
109.01739	3.1
109.02994	1.9
110.02491	3.7
112.16148	1.7
113.02473	28.7
114.02792	3.7
115.00377	3.1
119.03513	27.8
120.99690	2.3
122.02502	53.3
123.02809	2.2
129.05556	1.9
131.03438	3.0
134.03743	3.2
138.01965	4.8
143.03505	4.8
147.04620	1.9
149.02399	2.8
149.04686	2.5
149.09709	5.4
150.03203	3.6
150.10013	3.0
152.20358	2.0
159.10202	1.9
161.04547	6.4
164.10822	100.0
165.05573	2.1
165.11165	5.6
167.10771	7.3
168.11078	9.1
176.42688	1.8
178.02798	2.9
179.05624	7.0
183.10243	4.4
191.05608	2.0
193.05045	2.1
195.06595	2.9
208.09769	5.8
210.11414	4.6
225.11327	6.2
226.07239	3.0
226.11678	8.5
227.09175	2.6
257.12906	3.6
259.10095	2.5
261.90948	1.8
350.85144	1.8
388.16257	43.4
389.17386	6.5
406.52576	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	388.162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03480	3.0
57.61079	2.7
59.01385	47.4
70.82433	5.4
71.01389	22.6
71.05384	2.8
72.99329	7.1
83.01408	2.9
83.49347	3.6
85.02932	9.6
89.02464	14.7
95.01421	3.6
96.96029	6.2
99.92595	19.1
101.02450	12.9
109.06629	3.0
113.02462	12.4
115.92090	46.0
116.92869	100.0
118.98067	3.3
119.03521	11.1
138.55881	2.5
155.94032	4.4
159.46112	3.9
161.04575	4.0
177.69371	3.4
183.10251	11.1
191.05640	3.5
209.11818	9.3
235.49757	3.0
246.09587	3.1
321.49570	3.2
327.00806	4.0
345.86139	3.4
388.08887	5.3
389.00693	3.3
389.18030	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	388.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
69.00729	100.0
69.59325	9.5
105.02348	10.7
216.98738	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	388.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84526	15.0
56.29798	12.5
59.31290	11.9
69.40121	100.0
74.67432	13.3
78.06508	12.7
80.29656	14.1
121.76880	13.0
135.19426	12.8
141.20998	13.5
158.25870	13.1
217.41011	14.9
240.78325	14.5
246.69318	17.0
247.68805	14.7
308.68005	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	388.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09570	13.7
68.09523	13.1
69.41402	100.0
69.53370	15.0
98.21718	18.1
98.31075	15.1
114.37336	14.1
259.32538	14.8
272.75067	15.8
323.10941	14.2
341.72174	14.9
378.87479	16.0
390.90067	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	389.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91607	3.4
59.01384	74.3
63.59640	3.9
65.03983	4.3
69.85932	18.8
71.01392	34.1
78.95919	76.2
81.03474	11.2
83.01388	5.7
85.02959	65.5
87.00894	6.2
89.02464	30.4
96.96037	25.2
96.96970	100.0
97.02989	3.9
98.22457	4.3
99.04527	26.6
101.02432	27.3
111.00896	56.2
113.02473	18.6
114.02789	5.6
119.03529	17.6
127.04040	41.9
129.01955	56.9
129.31549	3.5
133.85196	3.6
175.56357	4.0
179.05620	6.8
210.07703	4.8
223.96870	3.8
239.88533	3.9
243.13560	4.2
291.07278	61.9
333.95529	3.7
345.13876	12.9
389.12918	27.4
390.14084	4.9
390.83035	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.8
57.03449	5.8
57.45130	2.6
58.99609	35.6
59.01385	56.4
60.97530	3.7
61.98828	15.4
69.03455	10.8
69.82253	11.3
71.01392	20.3
71.05028	37.1
72.97540	50.6
72.99306	3.9
73.02966	5.0
74.99127	3.4
81.03489	3.4
83.05058	4.9
85.01206	5.9
85.02959	7.8
87.00874	8.2
89.02460	18.0
93.03477	8.1
95.01433	3.6
97.03009	2.8
97.06599	30.0
99.00896	5.4
101.02448	39.9
102.02863	2.4
102.98605	100.0
109.06602	3.7
112.40631	2.6
113.02470	7.7
115.02268	5.9
115.04011	4.9
116.77364	2.2
119.03533	6.0
120.99666	28.0
121.02969	6.9
122.03711	5.4
133.03043	3.1
133.10248	4.3
133.96797	8.6
134.03749	20.9
134.97604	10.7
137.02507	3.7
141.05524	2.8
145.10367	3.4
147.04509	3.4
149.02478	10.2
149.06049	5.3
150.03233	28.3
151.11295	14.8
157.06874	5.7
161.04622	3.5
163.11307	5.8
164.04930	3.5
164.10808	3.8
165.05591	27.3
165.09221	3.0
165.11157	7.1
173.04510	3.6
178.02759	13.5
181.12367	16.5
183.10245	3.1
191.05624	8.8
191.07217	2.8
193.05064	30.6
195.06573	11.3
197.10017	23.7
209.11914	3.8
211.07973	3.4
223.03728	2.5
223.08118	2.6
225.11345	29.8
226.11711	3.3
227.07291	2.6
227.09315	8.2
241.09065	16.5
253.14445	4.7
259.10129	61.1
261.04456	2.3
271.15540	3.3
282.08990	4.7
285.11630	3.2
314.48999	2.3
329.10693	11.8
333.06747	2.5
341.10309	11.5
347.11737	40.5
389.12839	42.5
389.18008	10.9
390.12796	3.3
390.17719	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	389.1819
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01892	1.9
57.03437	5.5
58.00579	2.1
59.01382	100.0
71.01385	38.7
72.24561	1.7
72.99321	6.0
73.02318	1.5
73.02946	4.8
75.65699	1.6
83.01420	5.0
85.02956	9.8
87.00905	3.2
89.02444	36.8
91.04271	1.5
92.84888	1.7
95.01382	2.6
99.00813	1.7
99.92606	14.3
101.02458	24.6
102.02785	1.6
109.06597	25.0
113.02462	15.7
115.92081	28.6
116.92139	3.8
116.92867	77.7
117.92851	6.2
119.03520	16.5
125.92830	1.7
143.03520	2.2
149.04521	2.1
155.93906	2.9
157.07727	4.3
161.04556	12.0
163.71542	1.8
165.09158	2.0
165.12839	3.2
179.05614	3.0
191.05626	4.6
191.10817	3.0
193.36427	1.9
209.11838	46.4
210.12164	3.6
227.12877	3.9
242.07869	1.7
315.00742	3.1
329.16101	13.5
345.01880	2.4
345.11020	2.8
364.34116	1.8
389.00754	4.6
389.13556	2.4
389.18112	43.2
389.25613	2.0
390.18347	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.182
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03451	1.6
59.01382	10.7
59.53349	0.7
61.98831	0.9
69.88067	2.1
69.88480	1.6
71.01385	6.2
72.99326	1.2
73.02935	2.7
85.02969	3.9
89.02438	3.5
95.11808	0.7
97.06590	2.3
98.21849	0.9
99.00890	1.0
99.04493	1.1
101.02444	3.2
111.48766	0.8
113.02447	5.5
119.03498	1.2
123.86985	0.8
137.09767	0.9
139.07619	1.5
143.14178	0.8
157.08734	7.8
161.04579	1.4
165.12857	9.7
175.07628	1.1
183.10361	2.4
183.13913	86.9
184.14284	5.2
197.11702	0.8
197.15479	2.0
207.10307	1.6
207.13870	2.3
209.11829	1.7
225.14966	1.1
227.12904	100.0
228.13248	7.8
229.08623	1.2
230.09419	1.2
232.07549	1.1
251.13000	5.5
252.13261	1.0
269.13989	2.2
329.23276	1.7
347.24271	1.1
389.17673	1.6
389.25565	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	389.1821
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
54.23152	1.0
55.01875	0.9
56.75983	0.9
57.03445	2.3
58.00576	1.2
59.01385	100.0
60.01699	2.3
61.59942	0.9
61.98836	1.3
70.33098	3.2
71.01387	21.6
71.05003	0.9
72.99332	1.6
73.02950	3.9
79.95717	1.1
83.01407	1.6
83.05004	1.0
85.02958	6.3
87.00886	2.9
89.02457	19.3
93.03484	1.3
95.01409	2.0
101.02455	12.2
102.98599	2.7
113.02457	8.6
118.98103	1.5
119.03524	9.0
131.03488	0.9
133.22960	0.9
143.03539	1.1
147.11937	0.9
153.09241	1.0
157.07661	1.8
161.04526	2.7
165.12878	1.7
179.05608	3.3
191.05588	2.5
209.11815	7.0
209.87189	1.0
227.12950	2.0
241.04955	1.2
252.44510	1.0
297.03949	1.3
301.08395	1.4
315.08841	1.3
345.19339	1.1
347.17337	2.0
359.07889	1.5
371.07642	1.7
389.13034	1.5
389.18140	21.3
389.25461	15.9
390.17975	1.6
390.25751	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	389.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30388	1.2
55.01885	1.3
56.98033	1.3
57.03450	1.2
58.00590	1.2
58.83662	1.1
59.01383	100.0
63.96241	4.2
70.39303	2.8
71.01385	26.1
72.01712	1.2
72.99326	2.2
73.02940	5.0
74.99114	1.5
79.50111	1.1
82.03049	1.1
83.01424	1.6
85.02965	8.1
87.00893	1.7
89.02454	30.3
95.81058	1.0
97.06601	1.6
99.00890	2.7
101.02447	16.7
113.02453	10.5
114.74236	1.1
117.97318	11.6
118.98126	1.9
119.03522	9.5
127.07642	1.7
129.05643	1.1
131.03615	1.3
134.03752	3.4
135.11852	1.7
143.03564	2.7
143.07181	1.4
145.08698	1.4
150.03255	2.7
153.09261	3.8
156.77565	1.2
157.07704	6.2
161.04597	4.0
165.05598	5.8
165.12906	1.2
167.99875	2.6
178.02745	1.6
179.05620	2.2
179.10736	7.2
181.86050	1.0
193.04994	6.3
195.06657	2.1
207.90234	1.2
209.11871	4.8
222.06955	1.0
227.01198	5.1
227.12897	33.6
228.13251	1.8
257.12857	1.7
259.10138	1.5
269.09409	2.6
307.14053	2.2
323.06436	1.2
347.11572	1.3
389.12512	3.9
389.17987	25.1
390.17444	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	389.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50174	0.7
55.01856	0.9
57.03451	1.3
58.00582	1.5
59.01387	100.0
60.01712	0.9
70.13759	1.6
70.14153	2.2
71.01391	17.5
71.04984	1.0
72.99302	1.7
73.02954	3.7
74.99037	1.1
77.79105	0.8
83.01387	1.7
85.02957	7.2
87.00903	1.6
87.04511	1.8
89.02454	18.1
92.29635	1.0
95.01418	0.8
97.06596	0.8
99.00880	1.2
101.02445	10.6
113.02448	8.0
118.98083	0.8
119.03510	6.6
131.03477	1.8
137.02463	1.0
143.03522	1.4
147.11868	1.1
157.07697	1.0
161.04601	2.4
179.05617	2.3
191.05595	1.8
209.08371	0.9
209.11836	6.9
227.12888	2.0
295.07352	1.3
301.08472	1.5
389.18161	25.0
389.25473	6.9
390.18106	2.7
390.25858	1.4
391.65588	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	52.1
80.02673	5.3
81.03487	6.5
83.01403	10.3
88.10809	4.7
97.06583	12.8
121.02982	7.0
123.04527	12.7
125.09738	23.6
137.09746	8.8
158.31886	4.6
159.96150	5.0
163.11304	16.8
167.10921	4.7
185.11794	12.8
189.35909	5.8
191.10832	8.7
191.14410	22.3
207.10191	14.0
209.11832	73.3
225.11464	11.0
231.10016	49.9
245.19153	45.0
271.17001	6.3
289.18152	100.0
307.19098	67.1
317.17432	7.8
329.17355	20.5
389.19528	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	389.2336
Annotation	Grifolinol
Peak:m/z	Relative Intensity
64.53017	18.7
80.96523	33.8
84.18970	18.6
85.02941	22.7
98.21779	65.8
113.51182	18.3
176.19682	18.3
209.65445	20.0
248.95714	18.5
277.21817	100.0
317.24774	43.4
327.23325	55.3
345.24377	48.9
389.27151	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	390.123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.2
57.03443	2.9
58.00595	3.4
59.01382	68.6
59.62114	1.0
60.01713	1.4
71.01387	48.0
71.31470	1.6
72.01711	1.4
72.97524	3.2
72.99298	4.2
73.02956	11.3
75.00858	1.3
79.76608	1.0
83.01389	8.8
85.02959	19.8
86.00176	1.5
87.00883	4.3
89.02452	27.3
90.02822	1.1
93.03460	1.8
95.01406	3.3
99.00906	3.9
101.02449	38.2
102.02779	1.1
105.31707	1.3
111.00894	2.3
113.02457	19.6
117.97338	1.4
119.03513	10.6
134.03757	3.5
135.04045	2.0
149.06090	1.6
150.03142	3.3
151.03735	2.2
157.07722	4.5
159.03001	1.5
161.04491	5.7
165.05513	1.5
166.05968	1.9
167.10953	1.2
179.05634	4.2
183.10249	3.2
191.05685	2.2
193.05112	3.4
194.05424	4.3
195.06808	1.6
212.07674	1.5
216.08943	1.5
227.12883	2.1
228.13185	4.4
229.10884	2.8
281.77292	1.2
298.13123	2.2
308.05621	1.3
319.69553	1.3
330.10150	3.3
342.10501	2.9
390.12302	100.0
390.17230	4.6
391.12317	11.7
391.19977	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	390.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.1
58.00624	0.9
58.98503	0.9
59.01386	27.0
69.40616	6.8
71.01387	15.2
74.19696	0.9
74.21822	0.9
82.03003	5.2
85.02954	2.9
89.02449	20.9
101.02432	5.0
108.90862	1.2
109.01711	4.3
110.02489	100.0
111.02836	4.0
113.02457	5.6
119.03526	6.1
123.03276	1.8
124.04057	10.0
125.02476	1.4
134.06146	2.8
143.03514	1.1
149.02417	1.1
149.04575	1.1
152.07162	1.6
161.04633	1.8
166.08743	3.9
178.05144	2.7
179.05623	2.0
196.06171	38.7
197.06612	3.1
210.07729	26.9
233.48473	0.9
330.65192	1.1
390.14050	11.9
391.14203	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	390.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01130	8.2
59.01387	100.0
69.41044	34.6
69.64960	5.2
71.01093	5.5
71.01395	64.0
73.02911	5.9
80.28719	6.1
85.02960	19.8
89.02452	99.2
94.02995	6.5
98.21796	6.7
100.71478	5.3
101.02438	33.7
109.01720	73.1
110.02477	53.3
113.02467	23.8
119.03508	37.0
123.03226	8.8
124.04055	98.0
161.04497	6.2
176.03708	5.2
179.05640	17.8
196.06197	14.1
210.07690	56.1
259.08154	10.4
261.05261	6.8
271.60361	6.1
316.97540	6.5
333.16837	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	390.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	74.5
61.98829	12.1
71.01087	5.4
71.01392	64.6
71.29682	9.1
71.30049	5.9
72.99352	5.6
73.02935	15.8
74.81426	5.0
83.01414	13.3
85.02953	24.1
89.02441	33.3
94.02996	59.5
94.92829	4.7
96.04564	21.9
97.02952	7.2
99.00886	10.4
101.02448	38.7
109.01714	50.5
110.02477	23.7
113.02436	33.6
119.03500	11.6
123.03289	100.0
128.86365	5.5
140.78787	5.4
161.04552	18.9
166.08716	45.7
193.04993	14.7
210.07729	88.8
217.00291	7.2
223.34038	5.1
259.08255	62.0
391.08618	8.6
391.16086	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	391.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86859	6.3
56.20361	6.9
59.01382	100.0
65.52515	6.2
71.01385	64.5
71.27570	7.6
72.99294	17.2
73.02962	11.5
78.56580	7.1
78.95909	26.9
83.01373	7.5
85.02963	23.8
87.00864	9.7
89.02451	44.2
96.96957	13.5
99.00914	9.2
101.02463	42.5
103.92045	6.8
110.98547	11.7
113.02473	40.2
119.03492	16.9
127.04076	7.8
150.05664	12.0
161.04581	14.9
179.05510	7.5
193.07196	41.6
211.00032	7.6
217.00412	9.6
217.53369	8.2
228.64409	8.8
259.08221	24.1
274.51892	7.5
277.25226	6.8
355.12473	99.7
356.12854	12.9
391.05093	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	391.104
Annotation	Garcimangosone D
Peak:m/z	Relative Intensity
57.03461	0.5
58.38186	0.4
58.83629	0.3
59.01384	8.6
62.31810	0.3
64.88406	0.3
67.96071	0.4
69.29105	1.6
69.29536	1.4
71.01380	2.2
73.02946	0.9
85.02963	3.1
87.75301	0.3
88.51881	0.4
89.02441	0.9
95.01415	3.4
98.21774	0.6
99.00881	0.7
101.02454	1.6
108.02179	13.2
109.02965	92.2
110.03291	2.9
113.02450	0.9
123.00909	2.8
161.04562	0.7
167.05075	0.6
181.54094	0.4
185.06094	45.4
186.06429	3.6
229.05072	100.0
230.05403	7.0
293.32990	0.4
331.17825	0.5
359.04575	0.4
391.10376	7.0
391.19467	0.8
391.27161	2.0
392.10849	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14203	2.4
53.00307	5.4
54.84185	2.3
59.01384	22.5
68.99830	4.8
69.03451	10.6
71.01388	56.3
71.29288	2.6
71.29655	3.9
73.61909	2.5
78.95924	3.4
80.91702	14.1
85.02969	8.1
87.00890	3.4
89.02477	19.3
96.62777	2.4
99.00879	3.5
101.02453	11.7
110.02470	3.8
113.02457	100.0
114.02750	3.5
119.03468	8.1
126.98825	2.5
130.10704	2.9
143.03481	3.5
146.93881	6.3
161.04576	4.1
170.04579	9.1
172.95374	4.2
179.05592	5.0
195.01686	3.1
239.32027	2.7
271.01578	3.1
285.08389	6.3
292.37048	3.4
331.09012	5.9
391.04517	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53355	0.5
52.03189	0.5
53.16405	0.6
55.01886	5.0
57.03451	3.6
58.00595	1.5
59.01384	32.0
69.03445	1.1
69.68877	2.7
71.01389	60.0
72.01727	1.3
72.99310	2.3
73.02953	19.9
75.00869	1.3
83.01389	10.4
83.01850	1.1
84.02160	0.6
85.02959	27.0
86.00116	0.7
86.03291	0.8
87.00881	2.5
89.02448	8.5
95.01408	4.8
97.02958	3.6
99.00875	9.8
101.02453	48.2
102.02791	1.2
111.00893	1.1
113.02462	26.3
114.02837	0.7
119.03501	1.0
125.02464	2.4
129.01981	1.8
131.03497	1.5
137.51021	0.6
143.03514	3.6
159.03026	5.0
160.03250	0.7
161.04570	41.2
162.04933	1.7
203.20078	0.6
205.03561	1.3
233.06749	1.4
259.08234	100.0
260.08572	5.9
303.07440	0.8
391.12613	6.0
392.12933	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1977
Annotation	Leu-Phe-Asn
Peak:m/z	Relative Intensity
55.01896	1.8
57.03436	2.1
59.01384	100.0
69.41723	9.3
71.01384	22.6
73.02937	5.5
77.43119	1.3
80.79463	1.1
83.01368	2.7
83.05029	1.5
85.02955	23.9
89.02453	9.3
95.01424	2.6
98.22495	3.2
99.00866	2.6
101.02450	16.4
102.74612	1.2
107.72668	1.2
113.02445	9.4
117.38608	1.3
119.03488	5.0
143.03493	1.7
143.10765	3.1
161.04570	4.9
229.14407	5.0
257.58447	1.4
331.17606	4.1
349.18597	2.1
373.18607	2.1
384.16040	1.5
391.19745	93.1
392.19925	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	391.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64662	0.9
59.01385	100.0
60.01726	1.0
60.12183	0.9
69.15742	7.4
69.16144	1.7
71.01385	7.0
73.02963	2.1
84.36172	1.1
85.02954	2.8
96.75852	0.9
98.21760	1.3
99.00900	1.7
101.02442	5.5
113.02463	2.7
143.03519	1.1
161.04570	7.7
331.17615	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	391.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.7
59.01385	100.0
60.01710	1.4
60.45402	0.6
65.65651	0.6
69.44283	4.2
70.53342	0.7
71.01382	6.9
72.99329	0.7
73.02962	2.0
83.01407	0.7
85.02984	1.9
89.02454	5.3
98.22483	1.3
99.00944	0.7
101.02456	4.6
102.23225	0.6
113.02475	3.1
119.03543	2.9
125.47486	0.6
161.04575	3.6
179.05676	0.7
331.17868	2.8
341.87207	0.7
384.72388	0.7
391.19696	2.9
391.27200	4.1
392.27554	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17397	1.2
59.01384	100.0
60.01706	1.7
71.01394	12.9
73.02935	1.7
85.02965	3.7
89.02452	16.1
95.01373	1.6
100.83725	1.1
101.02424	8.0
108.02220	3.0
109.02961	20.0
113.02475	3.8
119.03533	7.0
143.03477	1.3
148.03917	1.1
149.04497	1.1
161.04613	4.1
179.05626	3.4
185.06035	10.8
229.05066	20.0
230.05293	1.5
275.64413	1.4
331.17825	2.0
391.19440	1.7
391.27161	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	391.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46540	0.7
59.01384	100.0
60.01713	1.0
60.26451	0.7
69.05249	8.0
71.01384	5.6
79.71027	0.8
85.02950	1.4
86.00173	0.8
89.02457	6.2
89.54945	1.0
98.21707	1.6
101.02457	3.3
105.81049	0.9
113.02482	2.4
119.03515	3.6
119.41637	0.9
143.03484	0.9
161.04573	1.7
179.05563	1.6
184.56073	0.8
224.59834	0.9
391.19785	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	391.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.4
59.01387	100.0
60.01726	1.0
60.17851	1.0
71.01393	7.7
73.02937	2.4
77.75800	0.9
85.02953	3.2
87.00864	1.0
89.02480	1.7
90.31727	1.1
99.00864	1.4
101.02468	6.7
113.02464	3.0
148.66151	1.0
161.04555	8.0
331.17682	6.5
332.18112	1.1
391.19717	1.9
408.31857	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66928	0.8
59.01381	100.0
69.46008	6.2
71.01373	2.2
75.79340	1.0
80.13152	1.0
196.58264	0.9
199.84785	0.9
218.02759	0.9
234.78690	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	21.8
68.88808	2.3
69.27348	4.9
69.27743	17.6
74.32563	2.0
80.98514	2.2
86.82815	2.8
88.17303	2.2
94.69667	2.5
97.06602	2.4
98.21829	3.7
99.92606	14.7
101.80254	2.3
107.90189	2.6
109.06551	2.6
111.08152	19.3
115.92072	4.0
116.92918	3.1
147.11798	4.6
165.12836	5.6
169.12375	6.6
173.57568	3.1
196.66351	2.7
197.11847	59.6
197.13516	4.5
209.15366	2.9
211.13449	3.9
215.10591	8.7
216.54221	2.4
219.10042	6.6
233.11601	100.0
234.11977	6.7
251.11456	5.6
251.16505	2.8
263.20346	2.9
263.31854	2.4
265.18045	2.6
283.84180	2.6
289.96240	2.4
291.19659	16.0
293.12424	8.8
305.04922	8.0
309.20721	44.7
310.20990	4.4
313.17999	4.5
323.05817	3.2
331.18787	5.0
391.20755	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	391.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	16.8
59.01404	22.5
61.90099	3.9
61.98828	7.9
83.05018	12.4
86.16305	3.5
88.25889	3.5
91.04017	9.4
96.96033	6.4
97.06628	4.7
107.08670	8.0
109.06625	5.0
113.09740	90.3
139.11320	32.6
147.11806	9.2
163.11324	4.1
165.12877	10.8
185.09808	5.4
215.14426	7.4
219.13937	4.8
228.73605	4.6
228.75769	4.0
273.22232	25.7
282.38022	4.9
299.20026	19.3
317.21259	100.0
318.21494	7.1
353.00592	4.7
391.98590	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	391.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34066	10.9
68.99587	100.0
109.96846	8.9
120.87988	9.3
141.34595	10.3
152.33362	9.6
152.80936	10.8
198.40691	8.7
255.23361	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	392.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	6.4
59.01385	83.8
60.01719	4.4
71.01389	65.5
71.28415	4.7
71.61727	3.0
73.02950	28.5
75.00869	3.0
80.10718	2.7
83.01392	9.4
85.02961	28.3
87.00870	5.2
89.02457	28.6
95.01395	5.1
99.00892	9.6
101.02457	56.5
107.23110	2.7
113.02470	24.2
117.84492	2.8
119.03480	10.3
125.02509	3.4
130.08835	5.8
130.09885	2.4
134.26262	2.6
143.03564	4.3
153.05341	2.6
161.04565	20.5
179.05563	4.3
184.98889	2.9
205.28528	3.1
261.13446	71.3
332.18088	4.2
350.19022	7.6
384.31595	2.9
392.19559	11.5
393.17706	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	392.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98822	9.7
64.72791	5.1
71.01391	49.0
71.29160	7.5
72.99329	10.8
73.02959	6.0
85.02964	17.6
87.00862	6.1
89.02452	50.6
93.03440	7.7
99.00897	8.3
101.02468	38.6
113.02465	22.1
119.03510	20.9
123.04533	5.6
138.89757	5.9
149.02483	14.2
150.03259	24.1
158.43945	4.8
161.04639	16.6
165.05563	9.0
171.10231	4.9
179.05803	5.5
187.13449	10.4
194.02281	9.0
209.04649	36.0
213.11591	6.3
236.61938	5.9
239.05652	19.7
241.98640	6.1
305.08591	5.0
332.17209	9.3
333.11823	5.1
349.18716	60.9
393.12015	19.1
393.17706	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	392.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01699	5.2
69.21953	46.5
70.58360	4.5
71.01378	35.6
73.02924	7.6
85.02965	7.9
89.02440	32.4
95.31078	5.0
96.78378	4.9
98.22488	7.1
101.02446	21.3
111.79210	4.9
113.02460	20.2
119.03536	19.3
153.15561	4.7
161.04532	20.4
179.05595	11.5
187.13412	8.7
227.56535	6.0
235.20355	5.4
287.92572	5.2
349.18689	42.6
350.18976	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	393.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.1
58.63091	2.7
59.01385	73.0
62.29258	2.7
69.03448	3.4
70.81086	4.2
70.81435	6.0
71.01386	50.8
73.02963	21.9
80.05061	20.4
80.20827	3.0
83.01392	12.1
85.02956	26.5
87.00848	5.7
89.02453	17.4
91.92303	2.7
99.00848	5.1
101.02458	43.3
104.05089	3.5
112.04066	4.6
113.02454	21.2
119.03531	4.0
122.06131	15.5
132.04582	13.7
148.04066	12.6
150.05605	13.8
158.06006	3.1
159.03012	5.0
160.04114	6.3
161.04585	18.5
166.05104	3.2
176.03540	8.3
192.03061	20.4
194.04622	17.3
213.11388	3.6
231.12355	5.8
261.13461	100.0
262.13852	6.1
269.73367	3.1
299.10760	3.2
331.13000	8.5
351.16653	3.9
375.11874	8.9
393.12994	23.0
393.17725	40.0
394.18192	3.8
408.49899	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	393.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.9
59.01368	2.6
68.99533	1.5
68.99863	1.1
69.03436	2.3
71.01391	10.7
71.29364	1.1
85.02969	1.0
87.00884	4.1
101.02449	100.0
102.02820	3.0
102.05627	2.5
112.98626	2.3
113.02454	24.5
118.96616	1.2
126.39034	0.8
129.18970	1.0
156.03001	1.0
167.05562	1.0
220.97250	0.9
226.98792	1.3
235.08224	1.1
243.01921	1.5
246.64677	1.1
284.54053	1.1
293.53152	1.1
293.92694	1.2
333.05133	2.2
338.04919	1.0
341.32095	1.0
357.46817	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1558
Annotation	Gibberellin A43
Peak:m/z	Relative Intensity
50.16262	1.2
57.03449	9.7
59.01389	6.1
69.03477	1.4
70.13265	1.1
71.01390	2.3
80.02657	1.5
81.03471	3.7
83.05026	2.2
85.02966	2.2
89.02463	1.4
93.03456	3.8
95.05016	10.7
97.02949	8.1
97.06593	23.4
103.04019	53.7
104.04386	1.3
107.05069	3.5
109.06596	9.9
117.07121	1.9
119.05057	5.2
123.08183	2.9
125.09742	34.6
134.03770	2.0
135.04567	2.1
135.08173	100.0
136.08524	5.1
137.09795	2.9
145.02913	2.3
161.06052	3.2
163.04031	1.8
163.11285	7.0
164.65411	1.3
165.12837	1.9
169.08752	1.9
176.77928	1.3
179.14407	8.9
179.42534	1.2
185.11845	13.5
191.05646	4.5
201.85445	1.3
207.10283	7.1
209.11844	13.3
211.13510	1.8
219.17513	2.8
223.13394	74.3
224.13731	5.4
263.16522	24.6
264.16885	2.6
267.12280	5.9
275.09195	2.7
287.16483	7.6
305.17596	70.3
306.17926	6.8
331.15347	1.5
331.76190	1.5
349.16507	9.8
350.16644	1.4
393.15448	8.4
393.19913	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	393.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
57.03439	1.6
58.00591	2.6
59.01383	97.8
60.01723	1.4
69.09318	2.1
69.09735	5.6
71.01388	75.2
72.01722	1.0
72.29337	0.9
72.99304	3.4
73.02567	1.1
73.02951	11.8
83.01407	2.8
85.02958	14.4
87.00883	3.4
89.02451	100.0
95.01396	2.7
99.00893	6.2
100.30367	0.7
101.02451	36.8
112.72362	0.7
113.02465	22.5
114.02749	0.6
117.03477	3.2
119.03516	22.6
119.04935	1.3
123.58900	0.7
125.02454	2.7
131.03523	15.3
143.03531	4.4
145.02965	10.8
149.04572	30.4
150.04944	0.8
152.64183	0.8
161.04546	5.2
163.04056	1.2
173.04611	1.0
179.05629	13.7
191.05646	8.4
234.74934	0.8
250.03079	0.7
261.13455	3.8
347.39386	0.8
393.12527	1.7
393.17725	7.7
394.17596	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	0.5
59.01381	100.0
60.01720	1.0
64.24847	0.5
69.22253	3.0
69.22680	1.7
71.01386	6.9
72.99336	0.6
85.02964	1.0
87.00905	0.7
89.02447	11.6
95.01413	0.7
101.02440	3.1
107.92398	0.5
113.02463	3.1
117.03439	0.6
119.03504	3.8
131.03508	0.6
137.99268	0.6
143.03525	0.5
145.03017	1.9
179.05659	1.4
247.99190	0.6
279.61386	0.6
364.64102	0.5
393.15485	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2133
Annotation	JBIR-56
Peak:m/z	Relative Intensity
54.08643	0.4
55.01860	1.1
57.03442	0.9
58.15453	0.5
59.01091	1.0
59.01384	14.9
71.01386	12.0
71.31448	0.8
71.31817	0.7
72.99308	1.1
73.02960	3.5
83.01376	2.3
85.02956	5.4
85.06571	0.9
85.72934	0.5
86.00091	0.6
87.00888	1.9
89.02444	5.3
89.26947	0.6
95.01400	0.8
96.72495	0.5
99.00888	1.7
99.08147	1.7
101.02455	7.7
111.00922	0.6
113.02464	3.9
116.96140	0.5
117.03484	4.1
118.00145	0.5
119.03513	1.8
119.05048	1.7
125.02433	0.7
131.03500	0.8
145.02954	15.5
146.03331	0.9
149.04564	1.1
163.04001	3.5
183.13962	0.6
185.15469	1.7
189.05406	0.6
189.90236	0.5
191.05664	0.8
199.66083	0.5
213.14961	1.9
225.76163	0.5
231.16017	20.0
232.16466	1.0
273.17276	0.7
307.08209	0.6
375.20331	2.7
391.39105	0.6
393.21320	100.0
394.12830	0.6
394.21652	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	393.278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95773	26.7
53.99951	27.7
69.65617	26.0
70.19161	100.0
71.03802	25.0
79.20834	25.9
94.45474	28.5
114.90874	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	394.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72930	6.2
59.01383	100.0
60.01715	13.2
61.01811	11.6
61.98832	77.2
65.14580	6.7
70.59778	5.7
71.01382	25.2
71.68127	6.7
73.02953	21.0
74.82751	6.4
83.01382	12.9
85.02966	15.4
93.50807	6.6
98.31385	6.1
99.00853	7.1
101.02451	21.2
107.19948	6.4
109.02952	31.1
127.77580	6.2
134.03781	10.6
136.01662	63.4
137.02451	39.3
138.57216	6.6
149.02554	7.4
150.72260	6.9
151.04095	16.8
152.15907	6.1
161.04579	11.4
177.01953	10.5
191.05725	8.4
224.98753	7.9
228.73344	9.0
233.08205	21.6
238.04787	7.4
240.19681	6.2
249.11426	6.5
263.15027	30.5
395.16089	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	394.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74964	5.1
59.01387	100.0
60.01722	8.5
61.01796	13.4
61.98837	85.1
68.36119	5.3
71.01378	23.4
71.28974	6.6
73.02946	18.5
75.00866	5.8
83.01373	12.4
85.02946	13.0
86.79843	4.9
88.28240	4.9
99.53767	5.1
101.02447	27.9
109.02962	32.8
113.02495	11.8
133.02960	8.3
134.03752	14.0
136.01672	64.0
137.02438	41.7
151.04016	17.4
177.01871	6.2
233.08269	12.5
238.04796	20.2
249.11320	5.8
254.87231	4.7
263.14975	29.6
285.36789	5.4
343.83438	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	394.26
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28271	26.6
51.01458	24.8
57.43499	27.4
60.02541	26.8
61.27755	23.7
62.77777	25.9
70.17905	100.0
74.94185	26.5
92.88007	27.9
98.21878	30.6
152.34290	25.1
203.30833	29.4
272.57181	25.6
274.47754	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	5.1
57.03446	4.4
57.66471	1.0
58.00608	1.7
59.01385	41.9
61.98835	1.6
64.09396	0.9
69.03458	2.7
69.76879	2.2
69.77265	2.2
71.01389	100.0
71.05031	10.5
72.99307	3.3
73.02955	24.3
73.06586	2.3
75.00881	2.3
81.03468	2.3
83.01394	10.1
83.05034	6.9
85.02961	42.3
87.00880	8.7
89.02454	32.0
95.01388	5.5
97.02982	4.4
98.22395	1.3
99.00893	13.3
99.04530	1.1
101.02456	53.0
101.06091	26.1
111.00887	1.3
113.02461	36.2
118.97983	1.1
119.03519	4.3
125.02454	5.8
129.01932	1.9
131.03508	7.0
143.03491	5.1
148.04102	1.0
149.04567	9.2
151.04059	1.1
159.03017	9.1
161.04581	63.7
162.04935	2.1
179.05682	1.6
191.05652	3.0
205.03583	2.1
233.06741	1.5
233.10199	1.1
245.10400	1.8
249.06259	1.6
263.11377	50.6
264.11780	3.7
307.10284	1.6
344.82126	1.0
395.15652	20.0
396.15979	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	395.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34128	4.0
58.00581	3.8
59.01386	86.5
61.98810	3.8
69.16560	38.5
71.01389	66.7
71.48158	4.1
72.99304	6.5
73.02923	10.3
83.70940	3.9
85.02946	23.4
87.00889	11.0
89.02454	64.5
90.98571	24.3
101.02464	49.4
111.00945	4.0
113.02456	33.8
116.92963	4.8
119.03538	32.3
131.03548	5.0
143.03525	9.3
145.02922	7.1
145.15706	4.3
161.04565	33.9
173.11418	4.3
179.05635	24.2
187.13432	14.5
268.46243	4.4
272.64203	4.0
298.02655	4.7
349.18689	100.0
350.19003	11.5
374.61398	4.0
395.19113	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	395.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	71.4
62.80095	20.9
69.47357	60.0
69.47777	100.0
70.41251	25.6
77.85673	21.4
98.22478	49.3
113.79078	24.0
129.61752	25.9
229.25961	22.8
238.99857	24.0
242.29970	22.6
310.32056	21.2
310.35965	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	396.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86882	6.6
51.72992	6.1
54.58595	5.2
59.01398	39.2
59.20852	6.5
60.27221	6.2
61.98835	100.0
71.01402	19.5
76.06878	5.4
78.06180	5.5
89.02473	6.8
96.73361	6.3
101.02450	5.8
102.98577	7.6
109.02942	10.4
110.43050	5.9
111.09815	5.7
113.74945	6.9
120.99669	12.3
136.01697	33.5
137.02351	25.6
138.02840	18.9
186.97849	5.7
199.09756	6.1
223.65610	7.0
283.14105	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	397.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72721	1.6
59.01377	6.7
64.43533	1.6
71.01379	5.0
71.31913	2.0
72.00912	19.2
74.02477	11.7
81.03464	38.0
93.03445	4.9
95.05028	3.0
97.02957	1.9
100.00417	21.1
101.02473	2.2
101.06110	2.4
105.03469	11.0
107.05038	33.1
108.05380	2.0
109.02956	5.1
113.02473	3.5
116.05073	56.8
120.99653	4.7
121.02950	3.4
122.03717	5.9
122.06108	4.4
123.04534	98.5
124.04875	3.7
128.05013	1.8
130.06633	13.2
132.47516	1.9
133.02975	18.5
135.04532	8.1
136.07671	2.5
137.02365	1.9
138.05589	2.1
142.06635	65.6
143.06947	4.3
149.02460	25.3
151.04018	20.5
156.06900	3.7
157.07713	10.7
159.09312	12.3
161.01114	3.1
161.02457	58.2
161.04584	3.1
162.02744	2.7
167.03505	3.5
168.40472	1.9
179.03523	2.4
180.06689	8.6
183.05659	22.8
185.07193	2.4
186.05615	28.5
187.05891	2.1
191.10788	42.1
192.11105	4.5
203.08270	98.3
204.08557	7.6
222.12901	6.4
229.06190	100.0
230.06529	6.2
235.07564	1.4
235.09779	31.1
236.09906	2.3
265.13425	13.7
267.11545	1.6
309.12482	10.0
353.11417	27.0
354.11816	5.4
397.10352	8.6
397.15076	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	397.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41389	1.3
59.01380	6.7
65.85792	1.4
67.01875	1.8
69.03468	2.6
69.44622	10.6
71.01392	2.8
72.00920	17.2
74.02480	12.6
81.03460	35.5
93.03471	5.2
95.05022	2.1
96.96062	1.7
97.02981	2.8
98.21763	3.1
99.04528	6.8
100.00420	22.9
105.03484	10.6
105.14404	1.6
107.05042	20.8
109.02995	2.7
116.05079	54.4
117.05378	3.1
120.99681	10.5
121.02957	3.9
122.06111	2.9
123.04539	86.5
124.04868	4.9
130.06642	10.6
135.27211	2.4
136.07683	4.5
137.06107	3.0
142.06644	52.7
143.06981	2.9
144.04576	2.2
146.49525	1.5
149.02461	27.6
150.05641	1.9
151.04024	4.0
157.07726	12.7
159.09315	9.2
166.05040	2.2
167.03458	2.9
180.06750	7.8
183.05678	18.5
185.07205	2.9
186.05623	26.1
186.07242	2.8
187.05956	2.1
197.11826	2.9
203.08275	100.0
204.08597	6.0
222.12845	3.7
229.06203	98.4
230.06488	6.1
250.15834	1.6
265.13422	10.9
309.12296	9.4
353.11459	30.0
354.11664	3.5
396.08365	1.7
397.10263	5.8
397.14554	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	397.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.6
58.00592	3.5
59.01384	95.4
61.66773	4.1
71.01031	6.7
71.01392	100.0
72.99298	10.4
73.02959	19.4
83.01382	12.2
85.02958	23.7
85.85817	3.5
87.00885	15.4
89.02457	75.9
89.38799	4.0
95.01379	9.2
97.02955	20.2
101.02450	75.8
111.04481	4.3
113.02446	34.7
119.03526	26.1
125.02468	29.0
127.03959	3.5
133.05098	6.8
143.03522	8.0
149.04491	3.8
161.04517	9.1
171.21886	3.9
179.05608	3.8
217.07137	4.9
228.76755	4.6
235.08287	26.5
360.67978	3.9
397.13568	73.0
398.13785	7.2
411.91141	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	397.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17703	0.5
59.01383	100.0
60.01702	0.7
61.98837	0.5
71.01390	3.7
71.31533	0.9
73.74372	0.6
80.96558	0.5
83.01414	0.9
85.01199	0.5
85.02970	1.8
89.02479	1.6
96.27927	0.5
101.02463	2.1
106.06643	0.7
113.02460	1.2
118.98073	0.8
119.03491	0.6
129.00217	0.9
145.02975	1.3
151.07704	1.0
152.08424	2.7
153.09196	3.0
161.09726	0.7
183.79034	0.5
187.11140	0.5
192.99583	0.7
205.12366	3.1
206.59712	0.5
337.16666	0.9
355.17596	0.7
397.18402	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	397.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.5
58.85844	0.9
59.01385	100.0
60.01718	1.2
61.98832	0.9
63.55280	1.0
63.78228	1.0
67.45772	0.9
71.01391	14.9
71.28606	1.2
73.02934	3.3
73.21769	1.3
79.41794	1.0
80.05035	1.4
83.01379	2.1
85.02983	5.5
85.03418	1.2
87.00877	1.3
89.02459	6.0
92.95290	1.0
95.01373	1.6
96.82898	0.9
99.00898	2.8
101.02464	11.7
113.02486	7.1
119.03525	3.1
132.04588	4.9
134.03754	3.4
150.05629	4.7
157.99664	1.0
159.03029	1.8
161.04585	12.0
175.13368	1.2
178.02682	1.0
191.03450	2.4
193.05043	4.0
194.04578	5.4
208.06146	2.4
235.06105	3.0
236.05582	1.5
236.91156	1.1
261.86572	1.1
265.12994	2.4
337.18707	27.3
338.19000	2.1
351.89877	1.0
397.11993	1.7
409.70001	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17140	1.4
55.01886	1.7
57.03435	1.9
57.71206	1.6
59.01384	100.0
59.18262	1.6
60.01715	1.7
61.98826	4.5
65.37666	1.5
71.01392	29.0
71.31175	2.4
72.99290	3.3
73.02957	7.9
74.87121	1.4
75.00852	1.3
78.95910	2.4
79.84835	1.6
83.01382	3.2
85.02953	13.0
86.03304	1.5
86.14639	1.4
87.00877	2.0
89.02456	6.2
101.02451	22.9
102.02791	1.7
109.86638	1.5
113.02469	10.3
119.03522	3.6
129.92354	1.9
135.04547	1.9
143.03532	1.7
149.02444	2.1
150.05682	7.6
152.99609	2.5
155.93925	2.0
159.02962	2.6
161.04568	19.7
191.03581	1.7
191.07082	2.1
193.01431	6.0
194.04533	4.2
235.05957	1.4
337.18704	36.6
338.19125	3.0
351.20239	2.8
397.03424	3.3
397.19208	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	397.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.6
59.01386	100.0
61.98843	2.1
64.36696	1.7
67.48218	1.5
71.01391	30.4
71.28092	3.6
72.99316	2.6
73.02952	9.5
78.95924	5.1
83.01357	3.1
85.02970	12.8
87.00864	2.2
89.02438	6.3
90.98608	1.6
94.56799	1.5
95.01444	1.8
99.00912	4.1
101.02456	27.4
101.17132	1.6
113.02454	11.9
116.34045	1.6
119.03519	2.9
125.06035	1.8
133.96672	1.6
134.03738	1.9
138.05545	1.8
143.03494	2.3
152.99631	7.1
161.02466	2.2
161.04602	19.1
171.00861	1.7
175.13419	2.6
193.05048	2.4
289.08783	1.7
337.18719	45.5
338.19064	5.5
397.18777	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2236
Annotation	Neorustmicin B
Peak:m/z	Relative Intensity
57.03459	2.0
59.01392	8.3
63.10523	1.4
66.05408	1.3
71.01390	3.2
71.25983	1.3
73.02946	3.1
84.49532	1.3
85.02955	3.7
95.05018	2.3
97.06638	1.4
111.08174	5.4
113.02444	1.7
113.09732	2.2
121.10247	17.9
122.10525	1.7
139.07657	2.4
146.08287	1.6
147.08191	2.2
149.09726	4.3
157.08717	80.5
158.09084	2.9
217.19572	2.5
222.46257	1.4
228.75491	1.7
236.09544	1.6
243.17552	2.9
255.21301	2.7
261.18604	34.3
262.18961	4.3
273.22284	3.2
277.12244	3.0
279.19659	28.5
280.20163	1.6
282.73938	1.4
292.21375	1.5
299.20209	5.7
305.17636	7.7
317.21362	4.8
323.18631	50.9
324.19034	5.3
335.22284	13.2
353.23288	2.5
361.20181	9.4
362.20810	2.0
379.21219	16.2
397.22366	100.0
398.22656	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	398.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.8
67.44073	0.3
69.11155	1.2
69.11580	1.6
71.01366	1.3
73.02940	0.6
75.05708	0.3
80.05112	0.3
85.02893	0.3
87.30733	0.3
101.02447	0.6
103.04260	0.3
104.05057	0.9
106.06632	100.0
107.06966	4.0
113.02448	0.7
118.06664	3.6
120.08189	0.6
125.02422	0.3
131.03752	0.3
146.06145	1.7
148.07669	0.4
150.05615	80.7
151.05977	3.5
162.05646	0.9
164.07175	14.3
165.07484	1.0
192.06673	10.4
193.07123	0.5
194.04590	10.3
195.04941	0.4
217.06183	0.4
235.07195	0.6
236.05656	0.5
301.10336	0.3
398.10739	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	398.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.8
67.44073	0.3
69.11155	1.2
69.11580	1.6
71.01366	1.3
73.02940	0.6
75.05708	0.3
80.05112	0.3
85.02893	0.3
87.30733	0.3
101.02447	0.6
103.04260	0.3
104.05057	0.9
106.06632	100.0
107.06966	4.0
113.02448	0.7
118.06664	3.6
120.08189	0.6
125.02422	0.3
131.03752	0.3
146.06145	1.7
148.07669	0.4
150.05615	80.7
151.05977	3.5
162.05646	0.9
164.07175	14.3
165.07484	1.0
192.06673	10.4
193.07123	0.5
194.04590	10.3
195.04941	0.4
217.06183	0.4
235.07195	0.6
236.05656	0.5
301.10336	0.3
398.10739	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	399.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.6
57.03440	2.9
59.01382	37.0
70.36665	4.0
71.01392	51.5
72.99300	2.3
73.02956	18.4
81.03479	1.3
83.01405	7.3
83.14463	1.4
85.02966	23.5
87.00875	3.4
89.02450	15.9
93.03480	7.9
95.01405	5.4
96.95989	1.7
97.02937	2.5
99.00877	6.9
101.02453	41.1
113.02456	20.5
119.03517	6.8
119.05051	8.0
123.04534	1.8
127.99390	1.2
133.02919	1.8
134.03891	1.3
143.03528	3.2
143.05002	4.7
159.03029	5.0
160.08914	2.1
161.04579	39.7
162.05003	1.6
163.04042	4.5
169.21521	1.8
175.11320	2.9
210.07002	1.5
211.07736	7.3
219.10341	2.7
223.07654	1.9
229.10065	1.4
251.11388	100.0
252.11780	6.5
265.08682	5.0
265.38211	1.6
283.09744	2.7
301.08463	1.4
309.07867	1.8
320.24695	1.4
327.08710	17.4
328.09357	2.1
399.16809	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	399.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62524	1.2
55.01876	2.7
57.03437	2.5
58.00595	2.5
59.01385	38.6
64.14748	1.4
69.13412	7.4
69.13833	6.0
70.37648	1.5
71.01391	50.1
72.01694	1.6
72.47352	1.5
73.02950	13.9
75.00852	1.5
83.01394	6.5
85.02949	20.6
87.00877	3.4
89.02451	16.1
95.01388	3.5
99.00885	6.0
101.02445	48.5
102.02779	2.0
102.96610	1.6
113.02467	17.1
115.03996	1.2
119.03513	6.0
119.04963	1.5
121.02953	10.0
131.39049	1.5
143.03482	3.9
159.02983	4.5
161.04582	30.5
251.11365	100.0
252.11659	5.4
323.59372	1.5
327.08746	4.3
399.13126	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34985	0.5
58.00579	1.0
59.01087	0.7
59.01388	12.2
61.98836	4.5
69.81897	0.9
69.82313	1.5
71.01389	8.2
72.97562	0.6
72.99309	1.3
74.31258	0.6
76.58674	0.5
82.00548	0.5
85.02963	2.6
87.00904	0.9
89.02456	8.2
93.03479	1.0
93.07113	1.2
95.01435	0.6
96.99278	0.5
99.32364	0.5
101.02448	4.6
113.02445	3.4
119.03514	3.0
119.05071	1.4
121.02991	0.7
121.06643	1.1
123.04546	0.6
130.54904	0.6
131.09077	0.5
133.06587	1.1
133.10245	1.7
135.04555	1.4
143.05069	1.0
145.02875	0.5
152.07123	0.8
159.08167	4.3
160.08940	1.4
161.02475	1.1
163.03992	0.9
173.09735	1.4
175.11301	100.0
176.11652	6.0
179.05656	1.0
196.06253	1.1
211.07703	1.3
219.08452	0.5
219.10284	3.0
223.07718	0.6
237.11386	0.6
327.08746	2.6
363.16699	1.1
399.16922	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	399.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	6.6
55.90517	0.6
57.02254	0.7
57.03458	5.4
58.00599	1.9
59.01388	29.0
64.41296	0.5
68.99832	0.7
69.03458	1.3
71.01392	100.0
71.29372	0.6
71.29800	0.8
71.93391	0.5
72.01712	1.1
72.99323	3.2
73.02956	31.6
75.00883	1.9
81.03494	0.8
83.01398	15.3
84.02172	0.6
85.02963	48.9
86.00118	1.2
87.00882	3.9
89.02459	9.6
89.02962	0.8
95.01408	7.9
97.02954	3.1
99.00890	14.7
99.46693	0.6
101.02457	73.9
102.02805	1.9
111.00904	1.5
113.02467	42.0
114.02806	1.6
119.03502	3.4
125.02454	2.3
129.02016	2.4
131.03513	0.8
143.03513	4.7
159.03008	12.3
161.04581	50.5
162.04916	2.0
174.79807	0.5
203.14407	0.5
205.03522	2.8
242.02029	0.6
307.19357	0.6
399.18918	1.1
399.23950	18.7
400.24203	2.5
404.99881	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40402	0.8
54.84072	0.7
55.01876	8.7
57.03455	20.2
58.00390	0.6
58.00607	6.5
59.01387	29.0
59.66049	0.8
67.01883	1.3
68.66618	0.7
68.99805	2.4
69.03462	17.9
71.01388	100.0
71.05020	5.0
72.01728	1.7
72.99312	3.1
73.02954	91.6
74.03261	1.0
79.08705	0.9
81.03457	3.4
83.01395	28.2
83.05038	1.6
84.01720	0.9
84.02173	2.7
85.02961	42.5
86.00114	7.2
87.00886	19.2
87.04522	49.4
88.04866	2.0
89.02455	11.0
95.00839	1.2
95.01400	16.7
97.02963	15.0
99.00894	24.5
100.01650	2.5
101.02455	90.3
101.06055	2.2
102.02787	1.4
111.00895	47.0
112.01720	8.6
112.98811	1.2
113.02464	53.1
114.02794	1.3
115.07683	1.2
116.01164	2.1
119.03530	2.2
119.05015	1.0
123.00919	1.1
124.01691	6.3
125.02464	19.0
125.09718	1.4
127.07650	5.0
133.10234	3.4
139.11275	4.6
141.01929	3.6
142.02727	3.1
142.97324	0.9
143.03516	9.6
151.11296	5.4
153.12909	1.7
155.07133	3.1
157.01405	1.1
158.02180	1.2
161.04601	1.7
167.14410	3.1
169.12358	21.8
179.14447	6.7
181.12418	4.9
183.13876	5.2
185.15463	6.1
191.05428	1.0
195.14034	0.8
211.17039	5.0
214.43987	0.8
221.15485	2.7
227.16551	9.4
239.16545	18.0
240.16888	1.0
255.19666	14.3
256.19861	1.0
264.53772	0.8
267.16101	1.1
279.19788	2.1
297.17300	1.5
297.20645	10.1
298.20850	1.0
311.18668	2.6
313.62439	0.8
315.19312	0.8
321.20798	2.3
325.20203	2.8
329.19720	15.3
330.20233	2.0
344.35779	0.9
351.21872	1.1
355.17529	1.1
363.21588	1.6
364.21985	1.7
381.22812	10.1
382.23160	1.1
399.23907	96.7
400.24203	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	399.239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13875	0.5
52.81083	0.5
53.65337	0.5
54.84084	0.5
55.01880	3.2
57.03455	10.5
58.00576	0.7
59.01384	15.3
61.98820	0.5
67.01896	0.9
68.99823	0.7
69.03469	2.8
71.01387	70.2
71.04999	1.2
71.11684	1.0
72.01740	1.1
72.99316	1.5
73.02943	6.9
83.01394	11.2
84.02180	1.5
85.02958	57.2
86.03317	0.8
87.00903	3.5
87.04523	29.3
89.02455	9.6
95.01398	19.7
97.02968	1.9
99.00898	10.7
101.02453	10.0
102.05603	0.5
102.98669	0.6
107.39050	0.5
112.01669	1.8
113.02461	100.0
114.02787	3.0
117.51396	0.5
117.79462	0.5
119.03557	0.6
119.05042	0.5
120.99646	1.2
124.01733	0.5
125.02434	1.5
129.01910	0.6
132.17084	0.5
139.11279	0.6
143.03514	3.9
149.13344	0.6
161.04575	7.3
167.14452	1.1
169.12405	2.1
179.14398	1.6
183.13924	1.4
185.15524	2.2
187.02577	0.7
191.05702	0.5
255.19591	3.1
255.39810	0.5
271.15833	0.6
277.87781	0.6
369.23022	0.9
383.14786	0.5
399.15442	0.8
399.23920	32.8
400.19794	1.2
400.24323	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	400.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44331	0.5
59.01380	7.3
69.81790	3.2
71.01390	6.6
71.04996	0.6
72.99292	0.8
73.02953	2.5
83.01392	1.2
85.02966	2.3
89.02444	2.3
94.06634	15.6
95.05024	0.6
98.21770	0.7
99.00900	1.2
101.02459	3.7
106.06624	1.8
107.03780	2.0
108.08198	1.0
113.02475	2.3
119.03483	0.8
120.04607	0.6
122.02498	16.2
122.06135	64.0
123.06470	2.5
134.06136	19.6
135.06557	0.8
136.04024	1.3
136.07663	2.1
152.07188	100.0
153.07500	4.8
159.11482	0.7
161.04593	1.8
162.05722	1.2
180.06697	4.3
192.06668	2.7
196.06172	86.0
197.06482	5.0
208.06148	1.5
210.07727	29.2
211.08084	1.3
221.11858	0.7
229.16162	0.7
236.09364	1.7
238.07240	28.0
239.07460	1.8
239.09563	1.1
250.07286	1.1
269.10287	2.2
324.57446	0.6
328.09186	0.9
340.10266	0.9
400.12656	1.2
401.14487	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	400.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.5
59.01380	7.0
66.16007	0.5
71.01391	3.5
71.31634	0.7
71.32001	0.5
72.99331	0.6
73.02930	1.6
80.05054	0.4
80.30949	0.4
85.02962	1.7
89.02449	1.1
93.03500	0.9
95.01414	0.5
98.43995	0.4
101.02421	1.3
108.08201	100.0
109.08546	3.9
112.69426	0.4
113.02444	1.2
117.05847	0.6
119.03783	0.7
120.08207	4.8
125.02429	0.5
132.08211	1.7
134.06183	0.7
148.07698	1.8
152.07179	78.7
153.07555	3.0
154.29289	0.5
164.07195	1.5
166.08743	21.0
167.09096	0.8
174.04755	0.5
176.07210	1.3
182.10521	0.5
191.05634	2.1
194.08223	10.9
195.08562	0.7
196.06151	51.7
197.06590	2.8
218.08173	0.6
238.07214	7.3
340.10345	3.3
400.12350	4.1
401.13162	0.8
401.22015	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71463	3.1
56.29673	3.7
57.03444	10.5
57.61737	3.0
57.81275	3.2
58.00592	6.0
59.01381	82.8
61.98832	5.0
70.65730	5.1
70.66049	5.5
71.01388	100.0
71.05033	3.1
71.91475	3.2
71.91872	3.1
72.99286	5.4
73.02966	17.7
83.01405	11.6
83.05031	4.4
85.02951	45.3
86.91350	3.8
87.00877	6.4
89.02450	47.8
93.03491	5.1
93.07102	4.3
95.01392	8.2
97.02980	3.9
97.06579	5.5
99.00887	10.3
101.02445	73.3
112.83744	3.4
113.02463	37.0
119.03560	16.8
119.05023	10.9
122.06139	3.8
128.45972	4.1
133.10233	18.7
134.06133	9.2
143.03549	4.2
151.11307	3.4
152.07127	8.6
157.91953	3.3
159.08182	6.1
161.04568	29.5
161.06061	9.3
165.09233	8.2
177.09167	16.5
177.12851	12.7
179.05582	7.1
195.10263	11.4
196.06149	12.8
211.07576	3.3
212.07890	4.0
221.08170	9.6
221.11838	3.4
224.08138	3.7
225.11285	3.5
239.09277	15.0
283.86911	3.6
327.08594	4.2
328.09061	17.2
328.13266	4.1
357.15613	8.6
398.01254	4.0
400.16177	5.5
401.17963	34.5
401.21512	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	400.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	1.7
59.01381	21.8
64.52431	1.8
68.82338	2.1
69.56029	8.2
71.01392	18.9
73.02906	2.9
74.77191	1.9
75.00858	1.8
85.02950	6.6
89.02443	6.8
95.05034	19.5
98.21785	3.8
101.02440	10.5
112.45782	1.8
113.02506	9.9
119.03499	5.2
119.05013	2.5
121.04529	1.9
135.08160	13.0
137.09692	2.2
149.09721	5.3
151.11296	29.8
161.04538	4.5
161.09274	2.5
175.11176	3.0
176.11615	3.8
177.09200	7.9
191.10753	2.2
195.10266	100.0
196.10614	7.0
212.07964	1.9
219.10284	12.6
220.10577	6.5
237.11244	5.0
255.20872	2.0
328.08817	2.7
340.59329	2.2
400.16498	6.4
401.17972	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	400.198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06728	4.9
53.81146	4.7
59.01387	49.4
59.02399	4.6
61.98841	7.4
65.03307	4.3
69.20561	41.5
71.01392	30.4
71.41428	5.1
85.02934	8.0
86.21838	4.7
89.02467	25.6
89.15726	4.6
95.33823	4.8
101.02459	16.2
104.23472	6.2
113.02455	10.7
121.02970	14.1
130.20096	5.0
181.06560	5.8
221.15523	6.4
238.16672	5.3
312.49243	6.3
374.91962	6.3
401.09238	4.9
401.21817	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	401.1457
Annotation	Benzyl alcohol beta-D-xylopyranosyl (1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01886	7.0
57.03450	4.6
58.00604	2.4
59.01086	2.0
59.01384	40.7
69.03447	2.3
69.35626	1.0
71.01389	81.3
72.01714	1.6
72.99294	2.9
73.02957	27.3
75.03801	0.9
81.03455	1.1
83.01398	14.1
85.02959	37.4
87.00897	3.8
89.02458	12.4
93.03465	1.0
95.01400	5.2
97.02975	3.8
98.22558	1.4
99.00887	13.2
101.02453	61.6
102.02769	1.7
107.05000	0.9
111.00878	1.8
113.02467	30.6
114.02802	1.6
119.03565	1.2
125.02448	2.7
129.01968	1.6
131.03522	1.6
133.10292	1.5
143.03558	3.2
149.04512	1.4
159.03001	7.8
161.04581	55.4
162.04875	1.3
165.09308	1.1
185.74062	1.0
195.10675	1.2
205.03629	2.4
227.12952	1.0
239.09309	1.5
247.08301	1.7
269.10327	100.0
270.10669	8.1
341.96307	1.1
401.14444	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	401.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18853	2.1
55.01866	5.7
57.03449	12.4
58.00612	3.5
59.01384	68.4
59.90607	2.3
61.32370	2.4
64.21435	2.3
69.03458	2.6
70.86552	3.8
70.86877	2.5
71.01385	100.0
71.05032	2.4
72.99330	5.5
73.02944	18.5
76.06950	2.2
83.01403	8.1
83.05035	3.8
85.02956	42.8
85.03424	4.4
87.00897	2.6
89.02453	36.6
93.03452	7.9
93.07109	15.2
95.01409	8.5
97.02962	3.5
99.00896	7.8
101.02449	99.2
107.08700	2.3
109.06602	3.8
111.04498	2.5
113.02457	36.5
115.04027	5.0
117.07088	3.8
119.03506	17.4
119.05010	11.5
121.06613	3.4
131.03510	2.3
133.06610	5.4
133.10245	62.4
135.08200	3.6
137.06055	2.8
145.05069	3.2
147.08159	3.1
149.09746	2.8
151.11261	2.4
157.10196	2.2
159.02982	3.9
159.08148	19.0
161.04584	20.0
161.06099	25.7
162.06432	2.7
165.09193	3.2
175.11284	2.2
177.09232	29.6
177.12849	15.3
179.05669	6.5
179.07098	2.7
191.07198	6.0
195.10254	18.0
201.09236	6.8
221.08208	18.5
225.11472	3.3
239.09259	22.8
401.17706	25.5
401.22122	12.1
402.18564	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	401.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26562	1.7
55.01874	3.7
57.03450	14.5
59.01385	56.2
60.29258	1.7
69.03433	2.3
71.01389	100.0
71.08044	4.1
72.99290	4.0
73.02953	27.4
75.00887	2.1
78.68421	1.8
83.01385	8.8
83.05016	3.8
84.02133	2.4
85.02960	39.9
87.00895	3.8
89.02456	29.5
89.34431	1.9
90.53837	1.8
93.03489	4.7
93.07105	5.7
95.01398	8.7
97.02952	2.3
97.06643	2.2
99.00890	9.8
101.02459	68.0
111.04559	2.1
113.02459	42.9
114.02777	2.6
115.04037	3.8
119.03535	11.4
119.05030	6.9
121.03025	1.8
121.06525	2.3
133.10252	22.4
134.10608	2.6
143.03481	3.9
159.03018	6.1
159.08168	7.9
161.04568	20.4
161.06081	11.4
165.09212	8.0
165.12828	2.1
177.09241	10.4
177.12886	18.5
178.13123	1.8
179.03568	1.9
179.05605	2.7
191.05670	2.4
191.07278	2.5
195.10175	5.4
195.13943	3.0
201.09216	3.8
221.08186	7.8
221.11865	3.7
225.11356	2.2
239.09309	9.3
263.19339	1.9
401.17966	35.8
402.18723	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	401.182
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
55.01881	2.1
57.03443	8.5
58.00592	2.9
59.01385	81.8
61.98838	5.1
69.42790	5.3
71.01388	74.0
72.99326	5.7
73.02948	10.7
78.44118	0.8
80.05077	7.4
80.36398	0.9
83.01394	4.4
85.02467	1.8
85.02956	23.4
87.00892	2.9
89.02451	50.9
90.02783	1.2
95.01392	4.5
95.05042	2.0
96.04573	1.9
97.02966	3.7
97.06539	1.0
98.21853	1.6
99.00881	4.3
99.04530	1.4
101.02450	39.1
109.06593	3.5
111.04509	1.1
113.02461	29.7
119.03511	20.9
121.06616	6.0
122.03755	7.2
123.04523	1.7
124.05310	20.1
125.06088	3.9
127.04017	1.5
131.03526	1.4
133.06628	2.0
135.04509	4.9
137.06094	8.1
139.07661	100.0
140.07999	3.8
143.03543	5.8
147.08218	1.7
149.04594	1.7
149.09714	7.8
151.07634	2.2
159.02986	3.7
160.84270	2.7
161.04562	24.1
162.83928	10.3
163.07684	3.6
168.07927	62.8
169.08415	4.2
173.09715	3.1
175.07669	2.7
176.08435	2.8
177.01932	3.5
178.08762	2.1
179.05643	6.3
179.10759	6.1
191.10782	47.2
192.11154	3.6
196.09830	2.0
205.03532	1.8
205.12444	1.2
209.11845	14.2
221.11836	26.7
239.12892	50.9
240.13303	4.8
243.80597	1.0
336.52686	1.0
340.14499	0.9
358.15253	4.3
371.17056	9.4
401.18259	12.6
402.14142	20.6
402.18692	1.5
415.61557	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.9
57.03462	1.7
59.01386	32.5
67.41537	1.9
69.19939	15.5
71.01389	22.4
72.99303	2.8
73.02932	5.3
78.23740	1.8
83.01365	5.1
85.02960	10.5
89.02470	9.1
99.00883	3.3
100.35536	2.0
101.02450	18.0
113.02438	11.7
119.03458	3.2
121.02974	59.3
121.03867	2.9
122.03281	2.0
181.06627	3.6
208.26317	1.6
221.15445	5.5
225.05469	3.2
239.16534	5.8
248.10857	1.9
313.07199	18.5
355.25247	1.8
357.06064	5.3
359.15558	2.5
401.08694	12.2
401.21741	100.0
402.22202	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	402.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52559	1.7
59.01380	20.7
61.98836	100.0
69.12009	3.9
69.12413	16.8
71.01391	11.3
82.92313	1.8
83.01395	2.1
85.02973	3.5
89.02470	7.9
101.02467	6.3
109.08691	1.9
110.02491	4.8
113.02461	3.1
119.03535	4.3
124.57587	1.7
133.02997	3.7
137.27583	1.8
161.04686	2.6
177.01949	96.3
178.02310	3.3
196.09668	2.3
251.57559	1.8
305.12308	2.1
339.07263	8.6
343.06982	2.4
402.13965	3.0
403.08737	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	402.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	16.6
59.01392	27.9
60.12293	3.4
66.03484	9.5
69.03449	5.1
69.10494	35.4
70.05249	3.1
71.01379	33.6
73.02979	6.6
75.00877	5.7
77.87958	3.0
79.16100	3.3
80.05052	19.8
83.01394	41.3
84.02170	13.3
85.02959	58.2
87.00882	35.8
89.02453	5.2
92.05054	10.1
93.03494	5.6
95.01388	7.0
97.06612	4.4
101.02443	5.8
106.02989	5.2
107.03764	8.5
108.04559	12.3
111.00898	34.5
112.01704	4.8
113.02455	28.6
113.99635	6.4
115.00384	82.0
118.06647	9.5
120.08167	7.2
122.06092	3.6
133.02998	5.0
136.06732	6.6
136.07683	76.5
136.08646	5.5
137.02438	3.6
137.07999	3.8
137.92055	3.0
138.05602	5.9
139.00391	30.4
146.06108	32.9
147.04539	18.3
148.04021	22.8
148.07716	3.9
150.05684	3.8
156.00653	13.5
157.01442	39.7
162.05632	5.9
163.06363	6.0
164.07172	100.0
165.07539	4.6
174.01788	4.3
175.02481	44.7
178.02747	5.8
186.05547	6.5
187.06410	5.7
191.05666	9.6
192.06651	5.8
204.06717	9.3
240.10274	5.4
250.12422	10.0
268.13422	6.0
278.11798	10.8
296.12927	34.4
306.07407	7.8
312.12488	14.2
340.11896	89.6
340.22311	3.8
341.12268	7.6
342.09808	8.1
384.10846	8.3
403.18912	6.0
403.23523	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	402.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23738	1.0
57.03444	2.1
58.00590	2.8
59.01385	53.3
60.01712	1.3
61.98835	8.5
69.19855	1.1
69.20160	8.7
71.01389	35.7
72.99294	3.1
73.02936	4.1
80.05064	34.9
81.05425	1.1
83.01382	3.0
85.02964	9.2
87.00857	2.4
89.02452	30.0
95.01389	2.3
96.04553	9.5
99.00894	1.7
99.04520	3.3
101.02454	20.7
102.02792	1.3
108.02192	17.2
110.02494	1.4
113.02457	13.4
114.02773	1.7
119.03518	12.6
122.06200	1.5
123.04534	8.0
124.05262	1.4
135.04547	1.2
138.05641	2.8
139.07668	4.4
140.07986	4.4
152.01173	40.0
160.84261	2.7
161.04572	3.3
162.83942	46.9
163.83908	1.2
167.03511	70.2
168.07936	3.4
169.08325	3.4
169.86868	1.1
177.01936	8.3
178.08778	10.7
179.05647	7.3
180.10341	3.5
191.10797	3.0
192.11115	4.0
196.09822	6.5
197.10199	1.0
221.11971	1.5
222.12181	1.2
238.10828	1.1
239.12823	1.8
240.13269	2.7
340.14206	2.0
342.11832	1.2
358.15094	25.7
359.15366	2.3
365.96661	1.6
401.94269	2.4
402.14078	100.0
403.14301	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	402.1408
Annotation	Perphenazine
Peak:m/z	Relative Intensity
52.16256	1.0
54.63922	1.1
55.01888	2.1
58.00588	2.2
59.01382	53.0
60.01705	1.4
61.98834	9.6
63.89238	1.1
69.63194	3.9
69.63612	2.5
71.01389	35.4
72.01732	1.5
72.99300	2.8
73.02934	4.1
80.05066	28.4
81.05372	1.3
83.01383	2.9
85.02953	8.7
87.00854	1.6
89.02445	32.5
90.02769	1.6
95.01389	3.5
96.04552	9.3
98.22477	1.3
99.00867	1.8
99.04517	2.6
101.02452	22.6
102.02842	1.4
108.02184	8.1
108.04555	1.1
113.02456	13.6
114.02777	1.7
119.03519	13.2
123.04536	3.2
124.05278	2.1
125.05647	1.6
133.02972	1.5
138.05562	2.7
139.07652	9.8
140.07993	5.6
143.03470	1.9
152.01158	15.9
161.04549	3.9
162.83911	19.5
167.03490	25.9
168.07910	5.6
169.08232	5.2
177.01929	7.5
178.08737	11.1
179.05638	7.9
180.10252	2.0
191.10786	4.2
192.11186	5.5
196.09782	5.6
210.12180	1.1
221.11731	1.6
222.12256	3.5
239.12883	2.9
240.13249	4.8
296.83792	1.0
339.07034	1.2
340.13913	1.4
342.12399	1.0
358.15070	28.0
359.15405	1.9
402.14053	100.0
403.14423	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	402.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	7.0
59.01387	100.0
71.01387	45.8
72.01756	6.5
72.99318	6.2
73.02948	11.5
78.60663	6.0
85.02957	13.9
87.00927	6.3
87.34696	6.3
89.02450	51.3
101.01844	8.3
101.02438	37.5
109.06541	7.6
113.02476	19.7
119.03527	14.6
128.22664	6.1
178.05119	8.0
179.05533	8.2
179.10762	10.3
191.05588	8.4
197.11824	26.0
203.07196	6.1
223.09761	9.3
231.11620	6.6
241.10831	38.9
359.17032	8.3
394.65268	6.9
402.18216	9.3
403.23856	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16735	26.0
54.56577	28.9
65.34093	26.8
85.00451	58.6
95.28297	29.5
114.20171	30.8
115.07016	27.2
121.02982	100.0
196.65915	33.5
232.69917	29.9
266.41324	29.1
272.42581	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	402.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64924	88.2
71.61825	87.2
139.37886	82.8
189.10880	88.1
231.45363	92.9
269.60822	93.6
398.24631	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	402.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69710	14.8
58.50592	14.4
63.38194	16.7
69.34848	31.0
69.35245	100.0
287.78290	14.7
312.69342	15.9
350.05719	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	403.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55549	1.4
51.04736	1.4
57.03442	3.0
59.01384	22.0
60.38129	1.6
61.98833	1.7
69.03480	1.6
71.01389	9.0
71.31502	2.3
73.02972	3.8
80.05062	2.5
83.05016	1.5
85.02962	3.9
87.00909	2.0
89.02468	4.5
91.40793	1.5
101.02464	4.7
105.98828	1.7
108.04566	2.4
109.06629	2.5
113.02465	3.7
118.98144	1.9
119.03532	2.1
122.06121	9.6
123.08102	1.6
124.07688	1.9
124.49676	1.4
125.02607	1.8
132.04559	22.6
135.04533	2.0
136.04051	2.1
137.09753	5.3
141.09181	1.7
147.03259	4.7
148.03964	1.4
150.05602	5.0
155.10741	2.3
157.08688	3.2
158.02538	7.5
160.04077	9.4
161.04825	2.8
162.05658	5.1
174.05667	2.4
176.03571	11.5
176.04927	1.8
176.07115	3.1
179.03539	1.9
179.10760	2.5
184.07742	2.5
190.05115	18.3
191.05704	4.6
196.11314	3.1
197.11948	7.3
198.04427	2.3
199.09804	16.7
209.07141	2.3
211.04999	1.6
211.12396	5.7
212.05777	2.1
212.10803	4.2
215.11920	6.2
220.02525	1.8
223.08781	5.8
223.35333	1.7
224.07364	3.3
224.09485	15.0
225.06490	3.0
226.07391	4.3
227.08339	8.4
234.04097	1.7
235.16124	1.7
237.10240	1.8
239.08260	3.2
239.11884	32.6
240.10555	7.6
240.12282	1.6
241.10272	11.5
250.07544	3.9
252.05484	3.2
253.06187	29.8
254.06718	2.9
255.07759	6.4
255.11447	9.3
265.09848	4.3
267.07767	6.5
268.08542	10.4
275.09415	1.6
281.09314	9.5
283.10901	81.2
284.11172	6.4
309.08795	21.6
310.08859	1.8
310.55463	1.6
315.13635	3.1
327.09866	92.1
328.10257	9.5
341.11481	3.3
371.08856	100.0
372.09256	12.4
403.11447	43.3
403.19611	7.8
403.24106	12.3
404.11847	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	403.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79464	0.4
57.81704	0.5
59.01389	3.9
61.98829	2.5
63.01291	0.4
67.58849	0.4
70.86995	0.9
70.87331	0.9
71.01382	2.6
74.72346	0.5
77.25633	0.5
78.31030	0.5
78.95945	0.5
89.02457	1.9
92.10483	0.5
95.01377	0.8
101.02466	1.2
108.02183	31.0
109.02458	0.6
113.02491	0.5
123.03638	0.7
123.04533	15.0
126.15769	0.6
152.01166	59.8
153.01512	2.2
162.83925	0.8
163.83969	0.6
164.83623	1.1
167.03506	100.0
168.03827	4.9
172.84673	0.5
196.71487	0.6
241.07159	0.9
359.15436	0.8
403.12402	8.4
404.12817	1.0
421.06439	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1262
Annotation	10-Acetylmonomelittoside
Peak:m/z	Relative Intensity
51.16800	0.6
51.99927	0.9
59.01374	4.9
71.01372	2.6
84.00913	4.9
85.02956	0.9
89.02468	1.6
101.02472	1.7
113.02483	1.3
119.03520	1.0
145.02934	1.0
157.07686	1.7
166.02118	0.8
170.07224	1.7
172.08826	7.0
195.12747	0.7
198.06732	30.8
199.06898	1.2
211.07475	1.3
211.09673	0.9
212.08305	21.7
213.08517	1.7
216.07771	4.0
223.09995	0.9
225.07875	2.3
227.09317	3.1
228.73372	0.7
239.09406	2.1
240.07793	17.6
241.07312	16.8
241.10931	1.0
242.07701	0.9
253.07251	0.8
255.08859	6.4
257.10321	1.3
263.09406	1.6
265.07501	0.9
281.10123	1.1
283.08377	78.1
284.08731	8.3
403.12576	100.0
404.12933	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	403.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.8
55.48841	0.3
57.03452	7.6
58.00602	1.9
59.01381	21.5
61.98814	0.4
66.42034	0.4
67.01890	0.9
68.99821	1.8
69.03463	8.4
70.03805	0.4
71.01386	100.0
71.05025	3.5
71.31541	0.5
71.31949	0.6
72.01731	1.4
72.02140	0.4
72.99315	4.1
73.02952	18.8
75.00879	2.6
79.50500	0.5
80.98154	0.4
81.03468	3.0
83.01393	15.2
83.05048	1.1
84.02170	1.0
85.02956	55.7
86.00101	0.9
86.03294	1.5
86.17433	0.4
87.00346	0.7
87.00881	14.1
89.02452	6.7
93.03440	1.5
93.89046	0.4
95.01391	4.7
95.05027	0.6
97.02967	10.2
99.00887	24.0
99.04534	1.8
101.02451	19.0
105.03484	0.6
109.02959	4.4
111.00872	3.2
111.04534	2.6
112.01672	2.3
113.02460	39.8
114.02782	1.0
115.04018	1.1
121.02972	2.2
121.03684	0.4
123.00908	0.6
123.04492	0.7
124.01644	1.2
125.02457	12.6
125.09735	0.9
126.02782	0.5
127.03996	2.6
127.11309	9.9
128.11584	0.4
129.01918	0.8
131.03514	31.4
132.03821	0.9
133.02937	1.5
134.03763	0.8
135.04465	0.7
137.02441	2.9
139.03998	3.2
141.01909	1.8
143.03516	5.9
148.03729	0.5
149.02419	0.4
149.04608	0.5
150.29257	0.4
151.03987	0.9
155.03511	1.1
159.02965	0.9
161.04553	2.8
167.03479	2.4
167.10703	0.5
171.10164	0.6
173.04599	0.6
178.02634	1.5
179.03404	0.8
185.04524	0.5
187.29211	0.4
191.05550	1.4
193.11964	0.4
197.04495	0.8
201.07010	0.4
211.13345	1.6
212.13638	0.5
215.05617	40.5
216.05840	1.5
233.06721	2.2
246.37907	0.5
258.88522	0.4
275.07791	3.2
289.16272	1.1
306.07550	2.5
307.07626	0.5
323.07428	0.5
331.17239	0.6
343.21439	0.5
355.17313	0.5
403.14374	0.8
403.19580	6.5
404.19864	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50510	0.9
59.01386	2.4
61.98837	100.0
63.57538	0.8
68.38821	0.9
69.54199	4.9
71.01389	1.3
89.02450	1.6
98.21867	1.1
108.02199	1.0
111.24596	0.9
113.02401	0.8
135.04523	11.7
136.04932	0.9
136.73686	0.9
168.03857	0.9
179.03511	25.1
205.99063	0.8
299.61295	1.0
326.81509	1.0
341.08807	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	404.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44691	0.2
59.48251	0.3
61.98833	100.0
62.93157	0.2
63.65574	0.2
69.05657	1.8
69.06075	1.0
87.64627	0.3
90.83063	0.3
109.42162	0.3
124.21626	0.3
171.52289	0.3
271.22845	0.3
294.66336	0.3
296.82932	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.7
59.03087	0.5
61.98834	100.0
71.01365	0.5
80.30518	0.5
85.80750	0.5
90.30715	0.6
90.36028	0.6
93.80096	0.6
98.22529	1.3
123.91299	0.6
181.74429	0.6
207.02948	0.6
293.02969	0.5
300.73120	0.5
310.37726	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.1
57.03436	7.2
58.00578	3.9
59.01385	90.4
61.98840	16.5
67.91969	1.9
68.99822	2.3
71.01390	61.7
71.28276	3.4
72.01711	2.9
72.92388	1.9
72.99304	4.5
73.02936	9.8
74.02470	2.7
75.61581	1.8
78.91879	4.9
80.05048	3.8
81.02204	5.2
82.02972	2.1
83.01384	4.0
84.08221	2.3
85.02957	19.4
87.00899	11.7
89.02455	53.6
91.29619	2.1
95.01411	6.1
96.95992	4.4
97.02983	3.3
99.04553	2.0
101.02455	35.9
101.06142	2.0
109.01706	5.8
110.02517	4.1
112.11335	6.8
113.02473	22.2
115.00360	5.6
115.04055	4.1
119.03503	24.3
123.03316	11.9
124.11316	3.6
128.03545	8.9
138.09286	18.5
138.94481	1.9
140.07135	2.6
140.10887	3.3
143.03583	2.9
143.04677	7.2
145.05101	7.1
150.09320	2.5
152.10835	25.3
160.00726	2.6
161.04541	6.0
168.10286	3.6
170.11885	8.2
175.02470	12.1
178.08833	3.5
179.05685	5.2
179.79323	2.4
180.10330	32.5
186.18999	2.2
191.05611	2.4
196.09821	2.3
198.11365	17.0
210.09019	2.3
223.61598	2.1
224.09274	24.5
225.11407	4.6
272.08994	3.8
306.07755	7.0
360.16794	2.3
404.15646	100.0
405.17752	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13872	4.1
55.01874	27.1
56.62783	4.5
59.01377	15.4
61.14035	4.4
65.69036	4.0
68.99571	67.3
71.01378	10.8
71.29488	6.7
74.87675	4.2
85.02946	22.8
89.02432	6.7
90.08547	4.2
99.00903	5.8
101.02467	6.7
110.02479	12.2
111.02007	27.2
112.97846	7.5
112.98576	87.0
113.02427	21.2
127.04051	8.6
128.03558	5.7
129.01952	67.1
129.03983	5.8
130.08742	100.0
201.08389	4.5
201.35744	4.5
291.07394	5.1
301.93658	4.8
336.24341	4.6
345.10263	4.5
390.99603	4.8
405.12009	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	405.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64903	2.0
59.01374	4.9
61.98835	10.9
71.01370	9.5
71.29724	2.2
74.99380	4.5
84.08875	1.7
92.87089	1.8
98.99397	2.0
100.00187	3.6
101.00954	9.9
102.98898	8.3
110.02519	3.3
111.80692	2.2
113.00970	3.4
113.02484	2.0
115.99679	4.8
117.00479	3.4
128.91702	2.1
129.04089	5.5
130.98376	3.1
141.00458	11.1
141.04118	6.6
143.99178	10.0
153.00427	2.3
155.05696	1.8
167.05669	2.0
168.99879	2.0
183.01511	3.8
183.05133	5.1
201.02483	2.3
217.19414	1.8
235.08281	1.9
267.06796	2.0
273.08444	4.6
273.34488	1.7
285.08316	100.0
286.08560	11.3
286.11264	2.0
345.10443	24.6
346.10950	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62932	7.0
59.01388	53.8
61.28430	7.0
61.98836	100.0
62.60087	6.0
70.45110	18.4
71.01383	42.4
78.95913	8.4
85.02972	8.0
89.02446	24.4
96.06033	5.6
96.95995	6.4
100.73332	6.8
101.02469	16.2
113.02446	59.2
119.03541	13.3
122.89401	6.6
231.10876	6.5
242.06349	6.0
323.13474	24.1
345.10541	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	405.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45595	8.3
59.01386	100.0
61.98832	92.5
69.20940	50.9
69.21359	31.4
71.01376	56.6
85.02965	16.0
87.00896	11.2
88.13998	10.5
89.02451	27.3
101.02448	32.5
113.02470	21.3
145.02898	12.4
230.06256	11.2
335.02310	9.7
337.86032	9.7
405.20749	23.8
405.25311	22.5
406.15228	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24603	80.4
91.06734	10.1
105.73479	11.6
111.64770	10.2
116.85879	11.3
117.03464	41.0
145.02959	100.0
186.93771	11.3
201.11432	22.9
211.48997	11.1
328.57404	12.3
399.05237	10.9
405.11835	26.2
405.16464	18.4
418.05225	12.7
420.82623	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	405.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	89.4
67.04229	11.6
69.29268	100.0
71.01363	30.1
73.02948	23.0
76.92213	13.0
89.02464	16.5
96.95995	12.4
103.28561	12.9
113.02463	16.2
134.62788	13.5
176.47032	13.7
201.11391	57.5
212.28868	12.5
232.02007	15.0
236.01534	11.7
311.78000	14.5
324.88358	13.5
405.11826	30.5
405.20911	29.1
405.25409	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	405.169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27907	9.2
59.01368	31.7
69.25246	79.3
71.01368	15.7
73.02953	12.9
85.51219	8.5
101.02445	12.1
117.03503	22.7
127.26094	8.8
139.11336	14.0
142.76170	10.5
145.02956	100.0
170.62117	9.4
186.73434	11.1
201.11354	36.5
205.08118	9.4
245.08005	11.0
405.12100	20.7
405.20932	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	405.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40347	0.8
55.01874	0.8
57.03439	1.0
58.59756	0.9
59.01385	49.9
69.18507	2.9
69.18917	3.5
71.01391	6.8
71.05022	1.2
72.99331	0.9
73.02950	3.4
79.97130	0.8
81.03485	4.4
83.01434	0.9
85.02959	2.8
89.02482	4.5
95.05020	1.0
99.04526	7.7
101.02457	3.3
109.06625	1.0
113.02473	2.9
119.03522	1.3
126.73357	0.9
127.11339	1.1
137.09743	1.4
137.47466	0.8
139.11301	8.4
145.05075	30.8
153.12943	0.9
155.10745	1.1
163.11259	1.1
181.12354	8.6
183.10283	15.5
199.13416	9.5
201.15375	0.8
201.35219	0.9
225.11392	6.1
243.12383	100.0
244.12726	6.3
249.11307	2.2
285.13519	2.1
387.23892	2.2
405.12613	1.6
405.17203	2.8
405.25302	21.4
406.25381	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	405.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63288	0.8
55.01876	1.5
57.03453	6.5
58.00597	4.1
59.01382	100.0
60.01720	1.4
61.98834	2.0
62.78346	0.9
69.37199	6.3
71.01384	65.0
71.05032	3.6
72.01736	1.7
72.99310	6.0
73.02931	6.5
74.02482	1.4
83.01392	4.7
83.05027	1.4
85.02954	13.6
87.00912	4.8
88.01336	0.7
89.02451	74.1
93.03481	1.1
95.01392	4.5
95.05028	1.4
96.96005	4.6
97.06625	2.1
99.00894	1.7
99.04549	1.0
101.02449	40.5
109.01739	1.1
111.08195	1.7
113.02457	27.5
119.03511	32.2
122.06149	1.7
123.08224	2.0
125.02450	1.4
125.06124	2.1
128.03604	2.9
131.03535	2.8
135.48332	0.8
137.09740	1.7
140.64812	0.9
143.03543	4.6
143.04701	4.9
149.04648	3.0
149.09761	7.2
150.10126	1.0
151.11353	1.6
151.45767	1.0
153.09187	4.1
161.04546	8.2
163.11371	2.1
167.10794	12.1
179.05630	12.1
180.10405	1.1
181.10773	1.5
181.12282	7.7
183.10243	6.7
189.13049	0.9
207.13887	9.6
209.11925	1.4
214.07352	0.8
225.09575	1.7
225.11606	1.3
225.14977	5.3
229.13460	11.8
229.15402	1.0
241.00235	2.0
243.12608	1.1
243.13464	1.6
243.15999	18.0
244.16533	1.2
254.08008	0.9
272.08868	1.3
273.09567	1.0
273.12607	3.8
307.08035	1.9
317.11594	1.5
329.06494	1.0
384.18106	0.9
387.20352	7.2
405.05020	1.9
405.12518	2.0
405.17844	2.9
405.21628	30.8
406.17252	2.0
406.22043	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	405.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	14.1
58.00599	4.6
59.01382	100.0
60.01732	0.9
61.98836	2.1
71.01387	69.2
71.05021	1.4
71.30347	1.1
72.01725	1.6
72.99298	5.7
73.02945	2.7
73.87682	0.9
77.16457	0.9
83.01390	2.9
85.02965	13.4
87.00879	3.8
89.02453	81.5
90.02782	1.2
94.02980	2.1
95.01395	4.0
97.02948	1.7
99.00881	1.3
101.02451	31.0
102.02781	1.0
109.01748	1.0
112.05297	1.6
113.02454	25.5
114.02744	1.7
119.03514	35.0
120.03838	1.2
123.03323	1.2
123.04492	0.9
125.02470	1.4
125.09694	2.9
131.03508	2.8
134.07352	2.6
137.09698	2.1
143.03526	5.9
149.04533	3.1
149.09734	34.8
150.10037	1.7
161.04552	7.0
167.10786	63.9
168.11105	3.5
169.08752	1.2
177.94090	4.0
179.05644	11.1
183.10278	1.6
185.06039	1.1
207.13931	2.2
225.05602	1.1
225.09483	1.2
225.14967	6.5
229.13483	5.7
243.15981	4.3
273.12408	1.6
317.10724	1.4
361.10403	1.3
361.47464	1.1
404.96365	1.7
405.17249	4.4
405.21899	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	405.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.0
55.42195	1.0
57.03456	12.7
58.00586	3.8
59.01385	100.0
61.98814	3.0
62.49167	0.9
67.63461	1.1
68.39134	0.9
69.01953	10.4
70.02979	3.3
71.01389	74.5
71.05019	8.3
72.99309	6.1
73.01176	10.1
73.02963	5.1
81.03457	3.2
83.01378	3.9
83.05029	3.9
85.02955	18.4
87.00874	4.8
87.05667	2.7
88.98847	1.1
89.02454	83.2
89.35017	0.9
90.02781	2.1
95.01412	5.4
99.00878	1.8
99.04534	10.4
99.92609	2.1
101.02444	38.9
107.05034	1.1
111.04539	1.4
111.08175	1.7
112.05354	1.7
113.02457	27.2
115.92084	1.8
116.05405	1.3
116.07257	1.1
116.92895	1.9
117.00192	13.5
119.03519	31.5
125.09738	1.0
129.05650	1.2
130.03346	1.4
131.03510	3.6
131.07159	1.8
134.07388	3.3
135.08067	0.9
137.09714	3.5
139.07677	2.8
143.03496	5.2
146.08243	25.3
149.04582	2.3
149.08542	1.8
149.09737	34.5
150.10115	1.6
153.09177	1.6
159.02998	1.1
161.04573	9.3
167.10794	51.3
168.11150	2.4
171.10300	2.1
179.05624	10.3
181.12329	1.9
207.13901	8.9
217.11952	3.9
218.10318	1.6
225.05481	1.2
225.14957	9.3
243.16008	9.1
246.79361	1.2
257.14951	1.3
275.10532	1.1
277.12366	2.2
301.14130	1.1
315.10571	1.5
323.13477	2.0
361.14453	27.9
362.14795	3.1
387.20233	6.3
405.12778	1.3
405.21533	19.3
406.21729	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	405.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40626	0.5
54.41945	0.5
54.79655	0.5
55.01874	1.6
57.03454	16.2
57.72124	0.5
58.00597	4.4
59.01382	100.0
60.01704	1.3
61.98812	0.7
62.22646	0.5
68.99837	0.8
69.03462	1.1
69.36633	3.9
71.01387	76.2
72.01736	1.0
72.99313	5.9
73.02946	3.6
75.00869	0.6
81.03459	1.0
83.01386	2.9
83.05019	1.5
85.02956	17.3
87.00880	4.4
87.04495	0.6
89.02450	85.1
90.02798	1.8
93.03510	0.6
95.01382	3.7
97.02886	0.6
97.06588	1.3
98.22482	1.1
99.00906	1.8
101.02448	37.2
102.02802	0.9
109.06583	0.8
111.04577	0.5
112.05329	2.9
113.02460	28.2
114.02798	0.9
114.13142	0.5
115.04010	0.9
119.03510	32.4
120.03799	0.7
120.05836	1.2
125.02477	1.4
125.06071	1.1
127.07677	0.7
131.03564	3.4
131.08704	0.8
134.07378	4.7
135.08179	4.2
137.06079	0.7
137.09752	3.0
139.07643	5.9
143.03517	5.1
143.04608	1.0
149.04538	3.0
149.09731	53.0
150.10094	2.7
153.09224	33.4
154.09552	1.1
159.02991	1.4
161.04578	8.7
167.10783	80.7
168.11142	4.9
171.10245	1.7
179.05634	9.2
180.10318	0.7
207.13919	1.8
209.11842	5.1
225.14957	4.6
229.13449	0.6
241.34819	0.5
243.12309	0.9
243.16031	16.1
244.16364	0.8
405.16971	3.5
405.22119	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	405.2134
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01876	1.7
57.03424	1.1
58.00590	2.9
59.01383	68.5
62.21610	0.7
69.17015	3.8
69.17439	2.5
71.01385	51.4
72.01718	0.9
72.99284	2.4
73.02953	1.5
78.20197	0.6
83.01385	2.4
85.02955	8.0
87.00878	1.9
89.02451	42.3
95.01398	2.7
96.70717	0.7
101.02450	24.9
113.02448	14.5
119.03513	19.9
127.11302	2.7
131.03499	2.4
139.11273	0.7
143.03503	1.9
149.04529	1.5
153.12848	7.4
161.04552	1.7
179.05620	4.9
182.79698	0.7
199.13412	5.5
200.13724	0.7
225.14984	5.3
226.15327	0.9
353.72400	0.7
387.20078	1.7
405.21286	100.0
406.21591	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	405.2134
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01880	2.6
57.03435	2.2
58.00574	1.9
59.01386	35.7
65.75250	0.4
71.01391	27.2
72.99296	2.3
73.02954	7.5
83.01386	4.0
85.02473	0.7
85.02957	9.4
85.06602	2.4
87.00861	1.5
89.02451	14.0
95.01398	2.7
97.06580	0.5
99.00887	4.3
101.01822	1.0
101.02451	17.1
113.02459	8.8
119.03519	6.4
143.03505	0.7
152.99565	0.5
153.12927	0.6
155.14432	6.1
156.14818	0.6
161.04524	1.5
175.47859	0.5
179.03455	0.6
179.05504	0.9
181.05115	0.7
181.12346	1.1
181.16014	5.9
182.16348	0.6
189.83510	0.5
199.11719	0.6
199.13402	14.3
200.13748	0.5
201.15024	0.9
225.14972	7.3
243.10176	1.6
345.19006	0.9
363.20190	0.7
387.20123	0.7
405.15540	19.8
405.21188	100.0
406.15933	2.2
406.21579	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	405.286
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09434	0.7
59.01385	100.0
60.01728	1.5
60.63857	0.7
69.67367	0.7
69.95513	2.3
75.22187	0.7
76.50776	0.7
90.73031	0.8
91.04001	1.0
110.80748	0.7
180.87433	0.6
271.22815	1.8
309.56744	0.8
315.37955	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25503	1.3
59.01386	100.0
61.14503	1.5
71.47771	1.3
72.41233	1.3
74.14323	1.6
81.74043	1.5
92.17514	1.4
161.21831	1.5
161.87508	1.7
211.18324	1.7
221.18469	1.5
232.05786	1.7
271.22696	2.6
286.79620	1.6
313.18176	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	405.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98835	6.1
71.30914	5.6
107.05843	2.9
237.90527	3.1
238.07428	2.7
271.22739	6.0
309.52609	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	406.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.7
55.23267	1.1
57.03440	1.9
58.00582	3.8
59.01385	90.2
69.19695	7.9
71.01385	49.3
72.01726	1.2
72.99293	2.7
73.02934	5.3
80.05062	2.1
83.01402	6.5
85.02484	1.0
85.02962	11.9
86.00099	0.9
87.00865	2.5
87.97161	0.9
89.02451	48.7
90.02803	1.0
95.01386	3.3
98.22610	1.1
99.00893	1.5
101.02450	29.3
112.58446	1.0
113.02460	17.3
119.03508	23.2
130.67877	0.9
131.03510	2.5
143.03506	3.9
147.04550	12.3
149.04532	2.5
161.04533	3.8
179.05595	9.9
214.21512	1.0
228.10239	1.7
229.70824	0.9
316.11655	1.0
346.12943	3.5
406.15085	100.0
407.15491	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	406.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	13.7
59.01384	27.8
61.98832	2.1
70.83468	3.5
71.01389	10.9
71.01725	1.7
74.02481	31.4
79.95726	1.7
82.03006	3.2
83.01383	2.3
85.02926	2.2
86.02485	12.9
86.06110	1.7
87.00860	1.8
87.05646	5.4
89.02448	11.5
97.04058	4.0
99.05647	24.8
101.02454	9.1
101.07208	3.5
102.05618	6.1
107.06167	2.7
109.04081	6.0
109.07708	1.6
111.05611	2.9
112.04048	3.3
113.02444	5.1
114.55028	1.6
119.03505	5.3
125.03585	5.2
126.04576	1.3
127.05139	6.2
128.03549	82.7
129.03900	2.2
133.06944	16.5
135.05655	7.4
141.06746	3.4
143.04628	100.0
144.04942	3.0
145.02951	2.2
145.06186	5.5
146.04587	12.8
149.07217	1.6
150.03223	1.8
153.06694	7.0
159.35974	1.5
161.04584	2.9
166.09895	4.3
167.04616	2.4
167.08289	7.7
170.03250	1.8
171.04153	3.2
179.04594	28.3
181.06203	3.4
184.10896	2.2
185.05736	4.4
186.02621	1.5
192.07755	2.7
197.05707	6.1
206.08221	4.9
209.04631	2.4
210.08855	25.2
239.05620	1.9
254.07822	55.5
272.08887	60.8
273.09134	4.1
277.12283	7.4
299.14893	1.6
347.17041	1.7
388.15521	10.2
406.16583	60.6
406.22095	3.0
407.17325	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	407.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29327	0.5
57.03463	0.4
59.01385	5.6
64.15182	0.5
65.61209	0.4
69.71976	1.4
71.01369	1.3
80.91685	4.9
89.02454	0.6
94.63875	0.4
101.02444	0.9
108.31505	0.5
119.05038	100.0
120.05372	4.4
129.01978	0.5
129.05606	0.6
145.01718	0.4
163.04024	99.4
164.04352	4.4
185.02170	0.6
205.05234	0.5
212.92850	0.4
285.06003	0.4
312.19498	0.5
359.14154	0.5
407.09494	6.3
408.09802	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0989
Annotation	Fortuneanoside L
Peak:m/z	Relative Intensity
59.01393	1.6
61.98831	0.3
66.60200	0.3
67.35629	0.3
69.03455	0.4
69.09030	3.1
71.01376	0.9
79.01884	0.4
83.01376	0.4
87.56783	0.3
89.02431	0.5
93.03476	0.6
95.00858	0.4
95.01372	1.8
97.02974	0.7
101.02439	1.0
104.29896	0.3
110.00105	0.7
111.00903	1.0
111.80414	0.3
123.00003	0.6
123.00899	11.2
124.01675	44.5
125.02473	34.9
126.02790	1.1
137.02454	0.9
139.00360	0.3
145.02959	0.5
159.04514	0.7
173.06104	0.9
183.04550	0.6
183.13921	0.7
186.50186	0.3
187.97894	0.3
201.05594	14.8
202.05870	0.6
227.12871	1.7
245.04564	100.0
246.04909	7.8
259.06104	0.4
287.05579	1.0
306.90353	0.3
407.09854	7.0
407.22873	0.4
408.10245	1.2
420.28162	0.3
430.02402	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45026	1.4
57.03433	4.3
59.01382	32.0
61.98833	100.0
71.01011	1.5
71.01373	9.1
79.96192	1.5
83.01344	1.8
89.02441	4.9
99.04528	5.4
101.02447	4.6
113.02434	4.3
119.05035	16.6
121.02953	2.8
145.02917	2.3
155.76392	1.5
160.43245	1.4
161.04628	2.1
163.04041	3.6
179.05589	1.8
185.02205	27.6
197.38553	1.5
202.93361	1.8
344.13544	4.4
347.06842	1.7
407.18774	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	407.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87284	13.3
55.27530	17.5
59.01385	100.0
62.34903	13.2
71.01381	48.8
71.29332	27.4
75.88413	14.8
85.64829	15.1
101.02494	24.5
107.14333	16.2
117.03528	22.6
133.02946	24.0
138.69164	15.5
145.02946	44.0
147.54361	16.7
161.02454	47.7
185.11797	19.4
275.08722	19.2
341.27368	15.5
347.17017	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	407.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86612	0.5
59.01088	1.0
59.01381	19.8
69.20653	4.0
69.21057	1.0
69.51205	0.6
71.01392	2.5
73.02936	1.0
75.00874	1.0
81.74276	0.6
85.02952	1.6
88.41330	0.6
89.02435	0.8
95.01431	0.6
101.02433	1.7
113.02432	2.4
117.03464	1.7
145.02959	6.0
146.34366	0.7
160.46593	0.6
163.04057	1.4
165.12885	1.8
171.10277	1.8
183.13919	21.8
183.15552	1.2
185.11844	77.5
186.12183	3.6
227.12921	7.2
245.13945	100.0
246.14272	7.2
251.12881	1.8
280.09811	0.6
287.15103	1.2
322.06024	0.7
368.81696	0.7
383.43283	0.6
407.13934	0.7
407.18915	8.5
407.27234	1.1
407.73544	0.7
408.19516	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13981	1.6
57.03453	4.0
59.01385	100.0
61.98837	18.2
69.41764	1.6
70.39191	5.7
71.01383	21.9
71.05037	2.1
72.99314	1.6
73.02959	2.2
83.01383	1.9
85.02966	5.5
87.00898	3.6
89.02453	26.4
99.04542	6.7
101.02468	13.7
113.02455	10.6
113.29449	1.3
115.02859	1.6
119.03526	10.2
119.05040	14.0
121.03008	1.6
127.04031	7.9
131.03523	2.5
145.62192	1.4
146.08292	5.5
161.04570	5.4
163.04042	3.3
167.07187	9.8
175.02724	1.5
179.05602	7.2
185.02217	22.2
185.08212	1.7
218.49260	1.4
347.06848	1.7
347.17386	2.0
349.53326	1.5
363.14185	4.3
407.07104	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	407.2206
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
53.66265	0.4
70.94554	0.9
71.95354	0.4
78.95909	100.0
83.85848	0.5
96.96969	9.2
133.40636	0.5
134.20612	0.5
150.98033	1.7
152.99602	85.4
153.99924	1.1
171.00653	63.5
172.00984	0.9
183.97929	0.4
407.22113	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	408.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01722	1.4
71.01393	17.3
71.28895	2.3
85.02958	2.0
89.02455	17.9
94.03003	4.2
101.02471	5.7
113.02448	9.0
119.03499	7.9
124.04052	4.8
126.05614	2.5
134.04662	2.0
136.04070	6.4
154.05109	47.5
155.05501	2.5
161.04541	2.2
179.05687	3.9
183.83679	1.8
186.07840	1.7
192.74985	1.5
213.06313	1.9
249.65237	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	409.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35770	1.3
57.03448	5.5
59.01377	2.0
71.01384	4.1
71.27708	2.5
76.03795	1.2
85.02958	2.5
89.02483	2.0
99.00907	1.2
101.02455	100.0
102.94447	1.4
103.69175	1.5
113.02459	7.5
130.08754	86.2
131.09077	5.1
156.50961	1.3
161.04601	1.4
224.44954	1.5
235.08418	2.0
279.20578	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	409.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	7.8
62.47182	0.4
65.91816	0.4
70.68636	1.0
71.01396	2.4
73.02952	1.1
85.02953	1.6
89.02403	0.5
95.15957	0.4
101.02454	1.4
101.06096	0.6
113.02464	0.9
117.03481	27.9
118.03809	1.5
119.05035	6.8
120.05350	0.4
121.02959	0.6
145.02969	100.0
146.03299	5.5
161.02452	0.6
163.02730	0.8
163.04027	10.3
230.90118	0.3
262.89542	0.4
263.75009	0.4
307.08496	0.5
319.17908	0.4
409.15057	26.6
410.15475	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	409.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.3
69.30581	2.4
71.01379	2.0
71.05035	0.4
73.02949	0.5
83.05032	0.4
85.02965	1.2
95.01340	0.3
101.02451	1.1
101.06106	0.5
113.02434	0.5
117.03471	26.4
118.03784	1.0
119.03648	0.3
119.05032	6.6
145.02957	100.0
146.03290	4.9
163.04013	11.5
164.04306	0.8
267.22470	0.4
351.15726	0.4
353.83533	0.3
409.15039	22.4
410.15280	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	409.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92305	0.2
55.01870	0.2
57.03458	0.3
59.01381	1.4
61.98808	0.3
67.64795	0.3
68.59615	0.2
71.01385	1.9
71.05017	0.7
73.02948	0.7
74.24905	0.2
77.19746	0.3
83.01364	0.3
83.05021	0.6
85.02971	1.0
91.29445	0.2
95.01437	0.4
101.02467	0.8
101.06087	0.8
113.02496	0.6
117.03477	28.4
118.03799	1.0
119.05038	6.3
145.02968	100.0
146.03307	4.3
159.03140	0.2
163.04027	8.3
164.04346	0.4
394.36249	0.3
409.15067	26.8
410.15344	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	409.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.8
57.03446	1.7
58.00589	3.1
59.01384	85.0
60.01707	1.2
69.03453	1.4
71.01388	83.4
71.29434	1.7
72.99316	7.3
73.02960	13.3
83.01379	3.7
85.02962	15.9
87.00896	3.2
89.02451	100.0
89.08759	1.1
90.02766	2.4
97.02926	1.2
99.00876	2.3
101.02448	42.8
111.00867	1.6
111.08147	1.5
113.01738	1.3
113.02464	16.7
119.03493	8.0
125.02425	2.1
131.03517	30.0
142.25388	1.1
143.03493	1.8
145.02895	1.8
145.06189	1.1
149.04564	45.2
150.03177	1.2
150.04893	1.3
161.04518	5.3
166.61385	1.1
173.08119	1.3
179.05580	2.7
191.05614	12.2
206.29964	1.0
208.25427	1.0
275.07977	1.1
277.13000	7.8
300.94876	1.0
368.18237	1.0
402.29214	0.9
409.17419	7.5
430.98361	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98185	1.2
59.01384	100.0
69.15716	9.5
69.16115	2.3
71.01384	20.6
71.68425	1.4
78.46999	1.3
82.37406	1.2
85.02953	4.3
87.00880	2.0
89.02451	28.5
95.01439	1.6
98.22638	1.3
101.02454	10.1
111.69185	1.4
113.02467	10.4
117.03501	1.7
119.03514	11.9
128.25638	1.3
131.03535	2.5
134.89055	1.2
138.06927	1.3
143.03496	2.3
145.02931	3.7
161.04587	3.2
179.05597	10.3
181.01270	1.2
206.41818	1.4
242.86525	1.3
255.85162	1.3
312.56961	1.5
409.15240	2.5
409.20959	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	409.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84497	1.7
58.18637	1.8
59.01386	100.0
69.51674	11.5
71.01389	27.5
73.02980	2.4
81.28362	1.9
82.78177	1.7
83.01397	2.0
85.02952	7.3
89.02452	33.1
99.00858	2.1
101.02454	25.2
103.45074	1.7
113.02467	13.0
119.03503	14.9
119.87712	1.7
131.03542	2.4
143.03488	3.6
146.10649	1.9
161.04591	13.2
179.05615	12.1
187.13400	6.2
347.07202	1.9
349.18692	42.7
350.18909	4.0
408.73383	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	409.273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97431	13.2
60.60662	12.8
65.73684	12.7
66.76360	12.6
66.90958	13.6
68.83668	14.9
69.24551	100.0
75.47076	13.1
91.02956	13.8
95.60593	17.1
125.56032	12.4
152.99634	14.9
176.00415	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	409.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15587	12.9
52.73009	12.3
69.25748	100.0
91.03130	11.7
94.72459	12.8
95.58809	12.5
102.54230	14.3
126.12383	11.2
152.60873	14.6
192.10713	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	410.107
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26117	2.3
58.95263	2.9
59.01395	18.5
59.39119	2.5
61.98821	4.7
62.95364	2.6
66.03479	4.0
69.03464	3.0
70.83058	2.8
71.01388	27.3
71.29510	3.3
71.29881	3.6
73.86246	2.7
80.05067	15.5
83.01375	6.3
84.02178	10.7
85.02951	13.0
89.02451	6.6
92.05045	3.1
94.02985	8.0
96.96003	2.4
97.02940	4.0
101.02440	6.6
108.02194	19.5
108.04513	2.9
111.00735	3.4
113.02414	10.1
118.06635	15.9
120.04508	4.9
120.08193	28.5
123.04532	11.7
137.02219	3.2
144.04376	4.6
146.06126	7.4
152.01173	29.9
164.05847	5.8
164.07176	79.8
165.01714	10.3
165.07635	3.3
167.03497	71.3
171.01530	3.6
186.05370	30.9
188.06970	3.2
197.06926	7.0
204.06354	8.3
216.06462	22.2
218.08160	3.0
226.92961	3.0
232.06021	4.5
235.62509	2.8
246.07507	85.3
247.07791	5.3
248.05363	10.1
258.07516	23.0
290.06525	100.0
291.06583	7.7
302.06329	4.7
306.09476	8.6
329.08670	5.1
350.08359	3.9
406.81198	2.8
410.10641	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	24.9
61.98836	22.1
69.72616	2.3
70.47454	5.2
70.47784	3.6
71.01385	14.2
73.02926	2.9
78.38663	2.1
85.02940	2.8
89.02463	15.3
101.02445	7.4
113.02462	5.9
117.03487	25.4
119.03515	5.7
119.05000	5.5
121.02972	2.7
145.02966	100.0
163.04060	13.0
179.05661	3.7
187.11250	8.6
191.05580	3.2
225.11273	3.4
368.41714	2.5
405.55487	2.3
411.16559	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	411.1274
Annotation	t(6)a
Peak:m/z	Relative Intensity
55.01885	2.1
57.03453	0.8
58.80243	0.7
59.01386	9.4
61.98835	1.0
69.02248	6.6
69.02658	1.2
71.01388	17.7
72.00912	29.6
72.99289	0.9
73.02947	4.6
74.02480	18.5
83.01400	4.0
85.02959	7.2
87.00889	1.0
89.02454	4.8
95.01408	1.0
97.03052	1.1
99.00897	2.3
100.00413	17.3
100.04074	1.3
101.02453	15.4
113.02469	6.9
118.05116	100.0
119.03541	1.3
119.05448	2.2
130.36475	0.8
134.04788	1.0
144.03038	15.6
149.04572	1.0
155.38895	0.8
159.03055	1.4
160.02631	4.5
161.04559	11.9
177.24815	0.7
249.07654	1.0
279.14505	26.5
280.14868	2.4
411.13678	1.2
411.18896	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.5
59.01370	2.9
70.31489	2.9
71.01387	2.7
77.61912	0.9
81.17962	0.9
83.01400	0.9
85.02956	1.2
87.00870	2.6
89.02445	2.9
98.22446	1.0
101.02451	100.0
102.02792	3.0
103.04008	2.4
113.02470	2.8
119.03492	1.0
130.08746	14.0
131.09094	5.6
131.82083	0.9
161.04573	1.0
166.99963	1.1
167.71118	1.0
179.05615	2.1
206.61429	0.8
249.02475	1.0
297.04672	1.1
439.00452	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.2
55.13980	1.0
56.99900	0.9
57.03437	4.1
58.00600	1.7
59.01384	41.2
59.42167	0.8
61.98846	4.9
63.79701	1.0
66.14964	1.0
69.77316	4.1
71.01388	64.5
71.71339	0.9
72.00893	1.8
72.01709	1.9
72.99307	2.5
73.02949	27.5
74.02472	1.7
75.00863	1.5
81.03441	1.0
83.01385	12.1
85.02956	30.0
86.00094	1.0
86.25690	1.0
87.00877	3.4
89.01939	1.7
89.02454	17.4
89.63657	1.2
95.01398	5.0
97.02969	3.1
98.22487	1.8
99.00881	11.2
100.00438	1.3
101.02450	56.4
102.02782	1.1
104.87514	1.0
111.00880	2.7
113.02459	25.5
115.04052	1.9
117.09192	1.9
118.05119	9.2
118.40122	1.2
119.03501	4.6
125.02456	4.5
129.01964	2.0
131.03517	2.5
143.03494	3.5
144.02953	1.4
149.04570	2.8
159.02998	6.3
161.04576	31.1
179.05592	1.4
189.11403	2.0
205.03561	1.2
233.06670	3.3
236.83368	1.0
249.07439	1.2
279.14508	100.0
280.14868	6.8
323.13422	1.4
330.79349	1.2
411.18753	64.4
412.19058	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	411.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46024	0.4
55.01687	0.4
55.01874	4.1
57.03453	3.6
58.00585	1.2
59.01382	25.9
61.98812	0.8
70.62553	0.7
70.62893	1.1
71.01385	42.3
72.00912	4.2
72.99294	2.0
73.02950	15.9
74.02493	2.4
75.00860	0.6
83.01388	8.6
85.02953	20.9
86.00081	0.7
87.00867	2.3
89.02456	9.6
89.90936	0.5
93.16152	0.5
95.01376	2.4
97.02965	1.5
99.00887	6.3
99.92614	0.6
100.00404	2.2
101.02447	38.1
102.02747	0.5
111.00871	1.8
113.02454	17.7
117.09210	1.3
117.39705	0.5
118.05119	14.2
119.03531	2.3
125.02444	1.3
129.01944	1.4
131.03484	1.4
141.01962	0.5
143.03539	2.8
144.03023	2.8
149.04558	1.2
159.03033	4.0
160.02681	0.6
161.04568	23.0
162.04881	0.8
187.09683	0.6
189.11263	0.6
191.05598	0.6
205.03517	0.6
221.33789	0.5
233.06700	0.7
279.14499	100.0
280.14774	6.1
286.38455	0.5
294.99973	0.5
299.10641	0.5
323.13422	1.2
411.13684	0.5
411.18661	12.0
412.19092	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25045	6.2
53.28493	5.5
59.01368	19.6
61.98825	16.7
71.01376	27.6
71.29766	6.7
71.30116	9.5
85.02975	9.2
89.02436	8.1
91.47581	5.9
101.02451	6.8
108.02206	32.5
113.02460	73.8
123.04498	18.5
148.91031	6.4
152.01167	34.4
167.03493	100.0
168.03801	7.6
255.66161	6.1
329.08856	8.5
386.25824	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	411.203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54808	0.5
57.03452	6.9
59.01382	100.0
60.01725	1.0
61.98830	1.2
66.03465	1.1
66.86680	0.5
69.03459	0.7
69.41270	3.5
71.01388	6.7
73.02951	1.6
78.80136	0.5
83.01405	0.9
83.79132	0.4
83.79724	0.5
85.02974	1.6
89.02454	1.3
89.03831	0.5
93.40003	0.5
99.00938	0.6
101.02428	2.5
109.06618	1.3
110.02547	1.3
113.02477	1.6
119.05077	0.6
124.61976	0.5
134.03796	0.9
137.09761	1.8
138.09262	0.5
145.02972	0.6
161.02499	1.0
161.04686	0.6
168.52185	0.5
191.23738	0.5
192.11595	4.1
203.05602	0.6
207.13910	19.4
207.15756	1.0
208.14326	1.5
243.66435	0.6
249.12489	2.7
411.16333	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01722	0.9
64.00008	0.8
67.73578	0.8
69.12180	7.3
69.88750	0.8
71.01389	17.2
73.02956	14.3
73.60198	0.8
76.58787	0.7
76.73196	0.8
81.03466	1.5
82.07205	0.8
83.01385	4.8
83.05038	7.5
85.02962	3.8
89.02448	6.1
99.00891	1.2
100.07694	1.3
101.02457	14.4
113.02473	6.7
117.01926	1.0
119.03497	2.1
121.64516	0.8
131.03539	2.0
134.03735	4.3
135.04582	1.3
137.02397	1.0
137.09711	5.5
143.03510	1.2
145.02972	1.1
147.11766	0.9
148.31966	0.8
151.67874	0.9
161.04536	3.1
170.93416	0.9
178.02657	1.0
179.05557	1.0
182.67491	0.9
293.10513	1.6
394.85144	0.9
411.27432	14.1
411.77692	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	411.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01714	1.3
69.18427	7.8
71.01375	11.0
73.02959	10.5
80.82996	1.0
83.01383	3.2
85.02943	2.3
89.02449	2.7
101.02453	8.3
112.61991	1.0
113.02459	6.0
119.03525	1.5
120.23103	0.9
131.03526	1.1
137.09718	2.8
139.47012	0.9
143.03506	1.3
161.04546	2.1
185.09680	0.9
215.91165	0.9
228.33841	0.9
335.05167	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2028
Annotation	CHEBI:69893
Peak:m/z	Relative Intensity
55.01877	3.5
55.50375	1.5
57.03444	5.1
58.00593	2.6
59.01385	92.0
59.76538	1.4
61.98841	2.5
69.28934	1.5
70.54106	4.6
71.01391	100.0
72.01736	1.9
72.99311	5.8
73.02961	16.9
74.02490	1.9
76.13322	1.8
83.01396	7.0
83.05039	5.4
83.31990	1.4
85.02959	31.4
87.00892	3.1
89.02457	56.6
95.01369	9.1
95.68646	1.6
97.02969	2.5
97.06622	1.6
99.00900	7.0
101.02454	53.0
109.02995	1.7
109.06617	1.9
113.02460	37.6
114.79467	1.5
119.03518	21.2
125.06146	6.2
131.03499	1.9
134.03766	2.8
136.05345	2.8
137.09709	8.0
138.06880	7.2
139.07645	2.5
140.78787	1.6
143.03511	4.2
145.02948	3.5
151.07681	6.5
152.08458	25.5
153.09232	31.9
159.02979	5.9
161.04576	31.4
161.09720	7.9
163.11359	1.7
165.09219	5.6
171.08162	3.1
177.64088	1.9
178.09932	2.0
179.05650	3.3
187.11296	15.3
189.09129	1.6
205.12383	7.0
215.10841	5.5
231.13908	35.4
231.16060	2.6
232.14273	2.8
248.00790	4.5
249.14977	25.8
273.18677	1.8
293.10361	2.1
411.06848	4.7
411.20392	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	412.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20437	0.4
53.06565	0.5
55.39651	0.4
58.42500	0.5
59.01381	1.2
59.13906	0.5
59.76080	0.5
61.98837	100.0
69.07095	4.5
71.01357	0.6
98.11549	0.5
116.19753	0.4
119.05064	0.9
130.20683	0.4
145.02968	0.7
217.73096	0.4
229.06328	1.0
408.56973	0.5
413.16409	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58032	1.2
57.23364	1.1
57.74454	1.2
59.01372	5.9
59.73120	1.4
61.98835	100.0
69.16796	11.6
71.01375	4.3
79.61766	1.2
87.00862	1.8
89.02470	2.3
96.52594	1.3
96.96017	1.3
101.02487	1.8
113.02437	2.4
147.30428	1.2
150.63914	1.6
161.04567	1.4
163.04056	2.1
165.29263	1.2
251.05563	4.3
353.08475	1.5
353.66608	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00964	1.3
59.01377	9.0
59.80869	1.4
61.98835	100.0
69.84138	6.1
71.01382	4.2
83.25192	1.4
85.02966	3.4
89.02436	2.5
96.96028	8.5
98.02545	1.4
101.02449	4.4
102.02824	1.5
110.93156	1.2
113.02457	2.0
121.03007	1.3
123.04495	1.2
133.02992	1.4
170.36580	1.3
176.01230	1.3
191.03534	4.3
208.51381	1.2
235.11923	3.0
241.00215	9.5
367.16269	1.7
398.34909	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	412.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72820	1.6
52.16675	1.4
59.01387	20.6
59.03376	1.4
61.89157	1.3
61.98834	100.0
64.91824	1.2
71.01392	5.7
71.31216	2.8
73.02963	1.4
75.00864	1.5
77.97149	1.6
85.02957	2.2
89.02447	3.6
101.02459	5.8
113.02472	3.3
124.05293	1.8
157.07759	1.7
177.01738	1.6
181.09439	1.7
191.10768	4.4
219.07693	2.2
227.41045	1.4
276.68018	1.3
352.20392	3.0
369.11188	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	412.198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19964	22.4
51.78305	23.1
59.01384	60.0
64.76226	23.1
69.38506	100.0
69.38931	91.1
89.02446	30.4
98.22485	51.1
118.26910	25.3
143.54749	27.6
183.76447	24.0
186.23119	25.8
336.96558	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
69.33067	43.8
69.33464	16.0
71.01378	16.7
83.43138	8.3
89.02446	16.5
97.76794	7.4
98.21764	15.2
101.02424	8.5
104.92712	6.5
121.10838	8.3
145.76352	7.7
196.66162	6.8
200.77698	9.3
284.94833	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	412.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01698	6.0
71.01391	66.3
72.99314	5.2
73.02961	19.8
74.03284	6.0
75.97122	4.8
83.01369	6.6
85.02951	23.8
89.02446	45.1
90.51837	6.8
101.02462	47.4
103.40687	4.6
104.46866	4.6
113.02435	35.0
119.03526	17.9
135.33852	5.8
161.04572	22.3
179.05614	12.2
182.11292	5.4
194.55745	5.4
251.16557	18.5
303.83011	5.8
313.45685	5.7
408.35730	5.6
412.17419	11.0
413.16837	7.6
413.21896	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	412.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.03872	14.4
61.41801	14.7
69.32307	67.8
69.32737	44.1
69.76942	15.7
71.01381	42.3
73.02928	15.4
90.46854	16.1
113.02493	13.6
153.80139	14.5
160.10216	14.1
161.04564	20.8
201.66348	15.3
247.05502	16.6
261.67816	16.1
271.78778	15.1
283.48825	15.2
290.74515	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	412.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	4.3
59.01384	100.0
61.98839	5.9
62.02616	4.2
69.03445	4.6
69.29973	33.3
71.01378	21.6
73.02934	7.1
80.64689	4.0
81.59837	4.5
83.05035	9.2
85.02957	8.4
89.02444	12.8
98.22488	5.5
101.02436	10.8
113.02457	12.0
119.03532	6.0
121.25507	3.8
134.03708	4.5
137.09712	5.3
139.55740	4.4
143.03578	4.2
157.08694	11.5
161.04613	6.7
179.28316	4.5
231.01425	4.4
283.09433	4.3
316.09714	4.5
339.18277	5.5
351.21646	5.5
395.20547	5.5
411.77631	7.3
412.27454	6.8
413.16803	7.8
413.21817	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48389	0.9
51.35743	1.1
55.01891	1.6
57.03445	1.9
57.36308	1.0
57.87667	1.1
58.00620	1.1
58.40007	1.0
59.01385	100.0
69.03436	1.9
69.26537	9.4
71.01390	58.9
72.01709	1.5
72.99303	3.9
73.02951	77.3
76.36954	1.0
77.56311	1.1
83.01393	24.4
84.12827	1.2
85.02953	7.4
87.00893	1.5
89.02456	12.3
93.07107	2.3
95.01389	1.9
97.02945	1.5
99.00919	2.5
101.02452	64.1
102.02788	2.0
102.88752	1.2
113.02461	18.3
119.03520	4.3
125.02469	3.2
131.03543	3.5
143.03487	4.3
147.11804	21.1
148.12170	1.3
149.04549	3.2
155.03442	1.5
161.04552	10.3
163.65788	1.3
191.10800	20.1
192.11089	1.8
209.11858	4.9
222.16118	1.2
229.14471	1.8
369.22751	1.2
371.17151	2.1
413.17853	26.1
414.18304	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	413.195
Annotation	Unknow
Peak:m/z	Relative Intensity
68.46613	7.6
71.01361	7.1
71.29511	13.6
75.00884	9.0
79.38356	7.6
91.64114	7.9
109.68112	8.9
128.00319	8.8
133.63504	7.4
158.03751	10.0
159.04445	8.4
166.68774	7.8
172.05254	11.2
186.03188	11.6
186.06827	22.0
187.07664	13.9
200.04793	17.2
201.09247	26.6
212.96030	7.9
214.06342	13.5
215.07115	30.6
229.08704	75.2
273.07721	22.1
316.09622	100.0
317.09918	15.1
413.15897	11.3
413.21442	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	413.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	17.5
59.44821	8.2
89.02401	9.8
103.92012	9.1
129.43774	10.2
133.02968	21.4
158.03728	20.1
171.04539	16.1
172.05283	14.1
173.06070	10.2
177.01952	14.0
185.06050	15.0
186.03299	11.0
186.06863	27.5
189.04395	9.0
199.04111	11.9
200.04785	24.9
201.09256	37.5
211.07729	20.0
214.06302	15.5
215.07123	34.7
227.03613	10.4
229.08698	84.4
230.09154	9.6
273.07538	16.2
316.09622	100.0
317.09943	12.4
376.91733	10.4
413.16397	10.4
413.21735	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	413.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01721	1.0
65.69958	0.7
71.01400	3.4
77.44167	0.6
81.51700	0.7
89.02460	1.6
101.02475	1.6
113.02472	1.6
116.83088	0.8
119.03544	1.2
179.05679	0.8
182.31328	0.7
263.13275	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01721	1.0
65.69958	0.7
71.01400	3.4
77.44167	0.6
81.51700	0.7
89.02460	1.6
101.02475	1.6
113.02472	1.6
116.83088	0.8
119.03544	1.2
179.05679	0.8
182.31328	0.7
263.13275	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96579	1.1
59.01385	100.0
60.01714	1.7
61.36761	1.0
61.98835	6.1
70.70534	2.3
70.70871	0.9
71.01392	7.0
74.44797	0.8
74.64993	0.9
85.02943	2.5
89.02461	3.6
101.02448	3.9
102.98608	0.9
113.02454	2.8
119.03529	1.8
144.56393	1.0
161.04565	1.6
212.82820	1.0
367.94763	1.0
397.57416	1.2
413.16360	1.7
413.21542	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	413.2185
Annotation	Tentoxin
Peak:m/z	Relative Intensity
56.34692	0.7
59.01383	100.0
60.01719	1.4
70.40272	2.2
71.01400	2.3
73.02943	1.6
83.05045	1.1
85.02962	0.9
89.02475	1.2
95.97340	0.7
101.02457	1.6
111.08169	0.8
113.02477	1.4
119.08700	1.4
137.09694	1.0
157.07651	0.8
157.08713	4.2
161.34636	0.7
187.09885	1.8
209.06009	0.7
251.16620	0.7
277.18176	1.3
295.19174	0.9
339.18289	1.8
351.21976	1.2
395.20978	1.1
413.16763	1.6
413.21762	8.5
413.26981	0.8
414.22272	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2184
Annotation	Tentoxin
Peak:m/z	Relative Intensity
53.33326	0.7
55.01877	3.5
56.79142	0.6
57.03447	3.9
59.01387	25.0
61.98829	1.0
68.99796	1.1
69.03452	1.1
69.04261	6.4
69.04668	1.3
71.01385	40.4
72.99301	3.3
73.02946	11.0
75.00879	1.1
80.39319	0.7
83.01396	6.1
85.02955	20.3
87.00888	2.1
89.02447	10.7
95.01402	3.2
97.02940	1.0
98.22568	1.1
99.00896	5.9
101.02445	25.2
113.02452	13.1
119.03530	4.1
129.01958	1.0
133.02953	1.1
157.10068	0.8
158.03676	1.4
159.02927	2.0
161.04575	3.4
171.04544	1.8
172.05348	1.2
174.57532	0.6
175.03943	1.0
177.01933	0.8
186.03111	1.1
186.06851	2.5
187.07593	1.3
199.04117	0.9
200.04790	2.1
201.09250	2.3
211.07567	0.9
214.06210	1.7
215.07076	2.2
229.08676	7.5
235.17017	6.9
236.17424	1.2
251.16492	2.6
257.08295	0.9
273.07742	2.4
316.09509	8.5
413.21799	100.0
414.17169	1.2
414.22147	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	413.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06814	23.8
62.98967	26.8
69.98746	48.9
69.99146	100.0
77.66561	24.1
82.81675	28.0
98.21813	33.0
117.60446	31.9
121.78918	28.2
128.36826	27.0
129.67081	26.8
137.66023	35.3
146.28984	27.9
202.40089	29.7
248.45543	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	414.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	94.7
60.47360	45.6
64.28663	44.1
71.01393	100.0
73.86367	43.5
78.47466	47.4
89.02444	86.2
101.02453	45.9
103.44370	42.3
161.04773	53.9
238.86130	50.2
332.08258	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74335	20.6
59.01376	59.0
65.96627	27.0
69.45515	25.3
69.54532	100.0
69.54942	43.3
70.70766	24.3
71.01378	56.7
85.02982	23.6
85.59821	27.5
89.02473	58.2
142.10861	22.9
165.99164	24.5
275.59079	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76268	9.2
57.32647	10.3
57.42153	10.3
59.01389	87.4
61.98845	11.5
65.55870	8.9
69.11602	100.0
71.01395	58.0
73.02950	12.0
79.22846	9.4
85.02953	24.0
85.88469	9.7
89.02451	52.9
101.02473	33.0
101.08339	10.4
107.17225	9.2
113.02436	20.7
119.03530	14.1
121.59444	9.8
133.10228	16.3
139.12291	11.2
150.55771	10.1
161.04628	10.9
209.11804	16.7
292.57288	9.8
414.16351	15.7
414.22253	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1615
Annotation	2-Phenylethyl O-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.00422	1.0
55.01881	5.8
57.03451	4.0
58.00608	2.3
59.01384	70.0
69.03453	2.1
69.09241	9.3
71.01389	100.0
72.01730	1.1
72.99311	2.9
73.02953	32.8
74.04221	0.8
75.00903	1.1
83.01392	10.5
85.02961	36.5
87.00887	3.6
89.02455	69.2
95.01412	5.2
97.02977	2.9
98.21933	3.1
99.00893	22.9
99.01545	1.3
101.02453	64.7
102.02811	1.4
107.89217	1.0
113.02468	31.2
114.02760	1.0
119.03528	4.8
125.02459	3.9
131.03523	9.2
143.03513	6.0
149.04584	25.4
159.03006	6.8
161.04568	51.9
162.04883	1.3
162.09389	1.0
179.05623	2.7
191.05637	5.5
239.55589	1.0
251.07729	1.2
283.11899	70.0
284.12250	5.5
415.11890	1.0
415.16193	9.0
416.16293	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1614
Annotation	2-Phenylethyl O-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01882	6.3
57.03444	5.1
58.00597	1.3
59.01385	35.9
65.41116	0.8
67.44292	0.8
69.03451	1.7
69.14426	3.9
69.14849	2.7
71.01390	84.6
72.01719	1.4
72.99307	3.2
73.02956	31.3
75.00858	1.4
81.03442	1.1
83.01398	13.6
84.02173	1.1
85.02960	41.3
86.00095	0.8
87.00899	3.8
89.02460	11.8
95.01402	5.3
97.02964	2.9
99.00893	12.2
101.02456	66.9
102.02783	1.2
111.00890	1.2
113.02462	35.8
115.04021	1.0
119.03568	0.9
121.06602	0.8
125.02479	5.1
129.01968	1.4
131.03502	2.3
143.03481	6.2
149.04579	0.8
159.03018	8.6
161.04578	57.0
162.04883	2.4
178.37677	0.8
193.65202	0.8
205.03612	1.6
233.06657	3.4
276.90201	0.8
283.11902	100.0
284.12271	6.9
293.08759	1.1
327.10928	1.0
349.78244	0.9
400.67902	1.0
415.16061	23.1
415.21088	1.6
416.16522	2.7
437.66031	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
70.10665	2.2
70.11071	1.5
74.99110	4.7
77.00672	70.0
97.30368	0.9
98.41019	0.9
147.08195	1.9
149.09709	1.4
161.09734	1.3
163.11337	2.0
177.11090	0.8
187.11305	1.7
209.80219	0.8
263.61066	0.7
265.12354	0.9
280.14771	1.1
309.22113	2.2
337.21753	100.0
338.22073	10.5
394.74802	1.0
415.23141	11.1
416.23404	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	415.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79114	1.1
57.03442	2.0
58.00591	4.3
58.39324	1.1
59.01379	6.1
69.40188	1.9
69.40601	6.3
71.01369	2.6
73.02959	9.7
76.54016	1.2
77.86877	1.4
97.06612	1.8
101.02456	2.3
107.08656	2.3
112.54342	1.0
125.06088	1.6
125.09735	10.2
127.11311	13.3
137.09766	2.8
139.07689	4.1
139.11293	2.9
150.37402	1.1
155.10783	9.2
165.09283	5.6
169.12312	1.8
171.10294	17.5
177.12894	1.8
183.10280	3.7
195.13942	1.9
199.09750	5.0
201.11342	94.5
202.11691	6.0
239.12868	2.3
240.02434	1.2
261.18622	5.4
273.55991	1.1
279.19629	2.4
297.20706	32.8
298.21002	2.6
320.30096	1.3
323.18811	2.1
335.22272	5.5
341.19687	33.7
341.23575	2.3
342.20050	2.3
353.23279	7.7
379.21222	7.9
397.22302	11.4
413.72012	1.4
415.23419	100.0
416.24020	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	415.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.9
57.03453	6.0
58.00600	2.4
59.01384	51.9
69.03446	1.3
69.06049	8.9
71.01385	100.0
72.01730	0.9
72.99304	2.6
73.02951	27.8
75.00885	2.1
83.01395	10.0
84.02155	0.9
85.02958	42.2
86.03287	1.4
87.00866	4.1
88.68220	1.0
89.02455	28.9
94.47627	0.9
95.01391	7.1
97.02955	1.5
99.00883	11.7
101.02451	59.4
102.02757	1.0
113.02460	39.2
114.02811	1.2
119.03508	12.2
122.48657	1.0
125.02435	1.8
129.01955	1.4
131.03493	1.7
143.03517	4.8
151.88571	0.7
155.10129	0.8
159.03004	7.5
161.04568	35.5
162.04857	1.3
179.05611	1.5
183.13824	1.0
203.65337	0.9
253.18184	5.2
254.18256	1.0
321.65518	0.8
325.19095	0.9
329.26920	3.2
415.18176	1.8
415.23367	26.4
416.23578	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	415.2341
Annotation	Atractyloside G
Peak:m/z	Relative Intensity
57.03425	1.2
58.00592	1.5
59.01385	20.3
66.10085	1.1
67.96318	0.9
71.01024	1.5
71.01388	19.5
71.25091	1.0
71.30627	1.0
71.30973	1.4
72.99310	1.9
73.02962	4.9
83.01377	4.5
85.02961	10.0
87.00844	1.2
88.65773	1.1
89.02448	7.3
95.01373	1.4
99.00912	1.8
101.02457	8.5
111.00879	1.5
113.02444	6.0
119.03537	1.8
121.02979	9.4
179.91647	1.1
189.45570	1.1
209.15591	1.1
235.17068	1.1
253.18135	7.2
254.18408	1.1
259.02335	1.7
357.06104	4.8
358.06549	2.1
415.23349	100.0
416.23651	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	416.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	56.1
69.31203	100.0
70.04363	14.0
71.01418	16.0
77.21664	13.3
82.76308	13.0
89.02478	12.4
97.83706	13.0
126.99580	30.3
131.12431	14.2
132.55005	13.5
133.02899	15.1
141.85979	12.9
211.05348	57.4
232.34059	16.3
268.12888	18.0
415.54123	14.1
434.25705	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	416.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56475	12.3
59.01380	52.5
69.42245	100.0
71.01391	21.1
73.02921	14.2
81.99545	14.7
101.02460	21.6
132.72275	13.7
168.69946	13.0
173.14578	15.8
219.51573	13.4
246.31908	20.3
334.50119	15.7
393.62674	14.1
417.21283	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09280	3.8
57.03442	6.8
59.01384	65.0
63.47083	4.1
65.46098	4.3
66.04123	4.5
71.01392	50.8
71.30376	9.9
72.99294	4.9
73.02943	13.6
74.64081	3.8
74.70446	4.0
83.01392	11.7
85.02961	29.1
86.52643	4.2
87.00885	6.5
89.02448	18.3
95.01380	4.6
97.06570	5.3
99.00915	4.5
99.69656	4.3
101.02445	39.2
113.02444	21.1
119.03497	4.7
120.99713	5.5
125.79855	4.4
161.04546	10.3
170.96681	4.4
225.06754	5.2
345.21085	4.7
348.17416	4.3
399.19943	5.8
409.21408	5.2
417.21201	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	416.193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99718	9.3
56.60368	8.5
59.01397	51.7
69.14507	31.9
69.14940	52.1
71.01373	32.3
73.02939	27.9
85.02924	11.1
90.86680	9.0
95.35184	7.8
101.02460	30.9
111.62842	8.1
113.02482	13.7
134.36594	8.5
150.60893	9.0
161.04509	11.0
172.10683	16.5
190.25949	9.2
201.11348	48.0
202.11678	49.2
212.05962	7.9
264.19919	9.9
298.21033	25.9
336.22348	9.2
342.20059	33.3
416.23837	100.0
417.20941	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	416.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31665	11.6
59.01371	35.6
69.16753	100.0
71.01383	15.9
96.59222	12.0
98.22592	14.7
137.86806	11.3
161.04733	12.3
400.37512	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	416.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09280	3.8
57.03442	6.8
59.01384	65.0
63.47083	4.1
65.46098	4.3
66.04123	4.5
71.01392	50.8
71.30376	9.9
72.99294	4.9
73.02943	13.6
74.64081	3.8
74.70446	4.0
83.01392	11.7
85.02961	29.1
86.52643	4.2
87.00885	6.5
89.02448	18.3
95.01380	4.6
97.06570	5.3
99.00915	4.5
99.69656	4.3
101.02445	39.2
113.02444	21.1
119.03497	4.7
120.99713	5.5
125.79855	4.4
161.04546	10.3
170.96681	4.4
225.06754	5.2
345.21085	4.7
348.17416	4.3
399.19943	5.8
409.21408	5.2
417.21201	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	416.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91195	12.8
61.32549	13.0
67.43737	14.3
68.99569	45.9
68.99988	100.0
85.97305	11.8
134.32463	11.5
271.09601	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	416.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42280	12.0
69.30754	10.7
69.31042	100.0
81.50094	12.7
90.23257	13.0
98.22518	25.8
176.20016	14.6
183.04593	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	417.0828
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
51.90825	0.5
57.03432	1.5
59.01379	6.0
60.01757	0.6
61.10455	0.5
70.88120	1.0
71.01386	4.0
73.02947	1.0
81.20306	0.5
83.01371	0.7
85.02958	1.6
87.00890	0.7
89.02448	2.1
101.02444	3.1
107.01414	0.6
113.02470	1.6
119.03528	0.8
132.02216	0.6
136.11229	0.5
151.00369	1.3
158.63560	0.7
161.04555	0.5
169.06448	0.7
173.08145	1.9
183.04512	1.8
185.02492	0.6
187.04028	0.6
211.04034	1.9
227.03496	73.0
228.03876	6.2
229.05037	1.3
235.20352	0.5
255.02991	100.0
256.03546	12.9
257.04361	0.8
279.68951	0.6
284.03262	75.8
285.03973	26.3
286.04315	1.5
327.05206	1.0
417.08276	95.7
417.20786	9.0
418.08591	11.0
418.21396	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	11.9
59.01383	100.0
69.04998	75.9
69.05408	19.7
71.01379	49.0
73.02947	14.9
85.02943	18.2
89.02480	17.8
101.02458	34.6
102.98608	31.1
113.02431	13.5
135.11784	12.7
147.11649	9.5
147.86667	9.7
161.04514	17.6
193.12256	9.7
209.11742	20.2
227.03523	14.3
230.17026	9.8
241.97522	8.3
243.10548	15.0
247.10880	10.1
255.03087	11.4
284.03226	16.1
285.04050	11.2
331.12241	19.8
373.13312	15.8
375.23813	73.4
417.20776	28.9
417.24921	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.8
58.00577	4.2
59.01385	63.3
61.25084	3.0
69.03447	9.0
71.01389	72.9
71.30242	4.0
72.99306	7.5
73.02946	12.0
75.00888	13.0
78.00505	2.5
78.95905	4.3
81.03488	3.2
83.01402	4.7
85.02955	10.7
87.00885	4.7
87.74255	2.7
88.04041	6.3
89.02452	95.1
95.05028	5.6
96.96030	4.0
96.96905	3.9
97.02956	11.9
99.00894	21.9
101.02450	22.1
105.03419	2.5
111.00851	3.0
113.02447	13.8
115.04024	8.3
117.36108	2.9
119.03500	2.6
123.04534	100.0
124.04850	3.0
125.02462	47.3
131.03508	8.3
135.04555	4.5
143.03513	6.5
146.08234	7.9
146.20020	2.6
149.04588	13.0
157.25523	2.5
173.04720	2.8
187.03151	2.5
191.05563	6.3
195.94606	2.9
218.10336	14.3
219.10701	7.8
232.69522	2.9
233.06699	35.9
255.02032	3.3
260.11337	3.3
275.11365	3.3
287.00406	3.1
293.08804	32.8
309.34000	2.6
357.05145	4.5
389.54941	3.0
410.00696	3.0
417.14273	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	417.1768
Annotation	Ascleposide B
Peak:m/z	Relative Intensity
51.20951	1.6
57.03430	3.8
58.00592	2.7
59.01384	78.7
61.98835	1.8
66.66098	1.5
68.23697	1.3
69.36597	11.0
71.01385	42.5
72.99288	5.3
73.02926	2.8
78.95916	1.7
83.01392	5.4
83.05015	2.4
85.02969	8.8
85.06567	1.5
87.00863	4.4
89.02452	36.7
95.01391	4.0
97.02936	2.1
98.21827	2.1
101.02448	24.3
111.04520	2.3
111.08157	8.3
113.02461	16.5
115.48210	1.5
119.03510	14.8
121.02966	2.6
123.04540	1.4
124.58504	1.5
136.07645	2.5
137.06094	1.6
137.08040	2.8
143.03519	1.4
161.04579	3.6
175.11313	1.5
179.05614	2.3
181.08649	9.1
193.12331	28.3
194.12700	3.0
211.13393	4.9
213.07573	1.8
217.06102	2.8
218.06488	3.6
219.06689	2.3
219.10147	1.7
236.07568	2.3
237.11327	37.7
238.11595	2.8
363.16333	1.6
373.18591	13.1
374.19012	2.9
417.17630	100.0
418.17941	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	417.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78110	1.5
57.03455	1.5
58.00611	1.9
59.01387	100.0
59.47396	1.8
69.18308	13.9
71.01391	33.9
72.99301	2.1
73.02955	4.4
75.74891	1.5
85.02975	9.5
85.92706	1.6
87.00883	2.3
89.02454	34.4
95.01400	2.5
97.02962	2.7
97.09677	1.5
99.00891	3.7
101.02454	20.5
111.00924	2.3
113.02454	13.8
119.03528	12.7
121.02995	3.4
123.04537	31.0
125.02416	1.5
135.04547	14.2
137.06104	1.8
143.03517	4.5
147.04497	2.3
161.04567	17.7
163.03986	2.9
175.11295	2.5
177.09169	4.3
179.05614	6.1
179.07057	2.9
181.08748	2.2
187.85680	1.5
193.12355	9.1
202.79195	1.7
203.96394	1.5
211.09650	4.0
213.11423	2.5
213.29747	1.7
219.06642	5.1
219.10307	2.0
233.06767	3.6
237.11235	12.5
357.15668	16.1
358.15988	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75203	1.0
58.40509	0.9
58.81358	1.0
59.01386	35.2
62.64234	0.9
63.90407	0.9
69.97337	1.7
69.97704	4.4
71.01382	7.7
72.99326	1.0
73.02946	1.5
75.00880	2.9
79.41338	0.9
81.03452	1.5
81.73466	0.9
84.12898	1.0
85.02952	2.0
89.02438	5.3
90.41508	1.0
93.03459	0.9
95.05038	23.3
96.05289	0.9
98.02434	1.3
101.02459	4.9
107.62373	1.0
113.02464	7.0
119.03503	2.2
135.08192	13.0
137.09727	4.6
149.09718	3.5
151.10089	2.1
151.11296	38.1
152.11682	2.2
175.07672	1.2
175.11201	1.6
177.09218	11.5
191.10728	1.5
195.10280	100.0
196.10635	6.2
219.10260	12.6
220.10713	1.1
237.11356	6.9
249.11334	2.8
373.10205	1.5
417.21722	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	417.213
Annotation	Maryal
Peak:m/z	Relative Intensity
55.01875	2.5
57.03447	3.2
58.99587	1.1
59.01385	34.0
64.79244	1.2
69.03457	3.1
69.38979	3.8
69.39404	5.0
71.01385	29.0
72.99294	3.5
73.02957	11.7
75.00883	1.5
81.44326	1.2
83.01399	7.2
85.02956	15.6
86.00117	2.4
87.00880	3.3
89.02445	6.4
90.29598	1.0
93.03449	1.7
95.01409	1.8
97.06591	1.7
98.22476	2.7
99.00884	4.5
101.02451	26.2
102.98558	1.2
109.06618	1.4
111.00874	2.1
111.04519	4.9
111.08149	1.3
113.02441	8.8
115.04075	1.1
119.03486	2.3
119.05067	1.4
120.99674	1.8
125.02455	1.3
150.05460	1.1
154.83786	1.2
157.08705	6.5
159.02983	1.2
161.04512	2.6
163.07619	3.4
171.10207	1.6
181.08691	6.7
187.09790	1.7
193.48654	1.1
195.10316	1.5
197.06801	1.2
210.05505	2.9
211.07645	2.7
222.93811	1.3
225.06790	6.1
227.09518	1.7
236.05705	1.4
237.14954	4.1
238.07504	1.5
251.08215	2.7
253.06227	6.5
253.09621	5.1
255.08832	4.6
255.12350	1.1
255.16026	3.9
264.05493	1.7
279.07751	3.7
285.08823	3.1
297.08652	4.1
311.10464	5.8
313.08295	1.7
323.06888	1.6
329.07730	3.8
329.11307	2.3
341.07791	3.6
343.21234	3.4
346.22586	1.3
357.07278	2.6
385.06696	1.8
399.20096	4.9
417.09470	3.1
417.16245	3.6
417.21234	100.0
418.21759	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	417.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26556	8.1
55.45589	7.5
59.01387	100.0
59.80215	8.7
60.10194	9.7
69.03447	9.8
70.54556	20.0
71.01385	50.4
85.02947	10.8
89.02454	42.7
99.00887	9.3
101.02456	33.6
113.02424	26.0
119.03513	23.4
119.05045	25.1
136.04018	30.1
163.04044	30.3
181.08699	47.2
205.88519	11.2
224.09195	8.8
225.06772	16.7
238.10727	17.0
239.35304	11.0
251.08244	9.7
253.06203	22.0
253.09303	15.7
341.07797	12.2
409.14825	10.2
417.21228	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	5.9
57.03459	5.1
58.00602	3.8
59.01386	76.8
60.01730	0.8
61.60456	0.6
66.52219	0.6
67.33540	0.6
68.99815	0.7
69.03330	7.2
71.01391	100.0
72.01725	1.3
72.99310	4.9
73.02526	0.7
73.02953	22.9
75.00893	1.9
83.01394	9.6
85.02960	34.3
86.03302	1.1
87.00884	5.1
87.04537	2.4
89.02456	54.4
93.75940	0.7
95.01402	6.6
97.02953	1.9
99.00890	9.0
101.02455	71.6
102.02760	1.2
113.02465	39.8
114.02782	1.4
119.03516	23.0
125.02461	2.1
129.01979	1.6
131.03522	2.3
136.95514	0.6
143.03505	5.1
149.04585	1.4
159.03018	5.9
161.04578	34.2
166.83362	0.8
179.05640	8.1
205.03444	1.3
255.19646	2.9
417.19669	1.4
417.24954	23.5
418.25531	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	417.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	6.0
57.03451	6.0
58.00596	2.6
59.01382	48.9
60.01744	0.6
60.56643	0.5
68.99832	1.1
69.03445	0.9
69.20267	2.1
69.20691	2.8
71.01385	100.0
72.01717	1.3
72.99321	3.4
73.02951	27.0
75.00878	1.9
83.01390	11.1
84.02213	0.7
84.11891	0.5
84.15125	0.5
85.02957	42.3
86.03304	1.0
87.00888	3.5
87.04540	2.2
89.02449	28.2
95.01403	7.4
97.02979	1.9
99.00883	10.4
99.01463	0.8
101.02448	58.1
102.02791	0.9
111.00903	1.0
113.02458	41.3
114.02824	0.7
119.03497	11.3
125.02469	2.2
129.01987	2.3
131.03540	1.3
143.03528	3.9
149.04601	1.0
159.03001	10.6
161.04567	42.5
162.05009	1.3
179.05655	3.0
205.03513	0.8
207.58432	0.5
217.62447	0.5
218.41969	0.6
237.15155	0.5
255.19798	1.3
255.29794	0.5
297.20615	0.9
308.67334	0.6
317.57990	0.5
362.76218	0.6
417.25153	24.3
418.25217	3.0
430.00461	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	6.6
57.03454	5.2
58.00592	2.8
59.01384	65.8
60.01723	0.8
69.03461	1.1
69.17643	1.5
69.18060	3.6
71.01387	100.0
72.01730	1.3
72.99326	3.3
73.02955	23.3
74.03279	0.6
75.00886	1.3
81.03491	0.8
83.01391	11.3
85.02958	39.6
86.00149	0.5
86.03353	0.7
87.00893	4.6
87.04525	3.0
89.02451	38.6
90.11712	0.7
95.01385	7.7
97.02970	1.5
99.00894	9.8
101.02450	69.7
102.02810	2.0
111.00937	0.8
112.01588	0.7
113.02463	42.5
114.02849	1.3
119.03515	16.3
119.04333	1.1
125.02470	2.4
125.51239	0.6
129.01953	0.7
131.03542	1.8
143.03529	5.8
149.04634	1.0
151.23055	0.6
159.03008	9.0
161.04570	44.3
162.04939	1.0
179.05614	4.8
205.03618	0.7
217.13596	0.6
235.13182	0.6
251.27271	0.6
255.19815	2.2
345.94742	0.6
417.25098	37.9
418.25375	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	417.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81953	0.1
50.97136	0.1
66.55827	0.1
76.57969	0.2
77.51894	0.1
82.16084	0.1
91.88636	0.1
100.62362	0.1
117.03481	16.6
118.03802	0.5
119.05039	7.2
120.05376	0.3
121.02967	0.7
123.04561	0.2
133.02959	0.3
138.69646	0.1
141.00154	0.1
145.02968	100.0
146.03317	4.2
163.04028	5.2
163.05409	0.3
225.22276	0.6
271.22824	9.0
272.23224	0.8
331.26440	0.6
355.26535	0.2
399.25418	1.2
400.26035	0.3
417.26501	22.5
418.26825	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	417.265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.60987	0.2
64.22984	0.2
75.46667	0.2
80.81969	0.2
88.48261	0.2
98.21758	0.4
117.03475	19.2
118.03815	0.5
119.05039	7.9
120.05364	0.5
121.02954	1.1
145.02968	100.0
146.03307	5.2
159.33069	0.3
163.04028	5.0
164.04424	0.3
184.04854	0.3
220.00595	0.3
225.22314	0.7
271.22806	8.2
272.23138	0.5
331.26401	0.5
360.15375	0.3
399.25430	1.3
417.26474	28.1
418.26849	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	419.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71199	2.8
59.01379	32.3
71.01373	22.2
71.29803	6.1
74.99378	6.6
84.04609	4.9
85.01462	14.5
85.02943	4.0
89.02472	4.6
97.02956	7.3
98.99417	4.9
101.00958	48.3
102.98897	17.3
110.02477	26.3
117.00449	100.0
118.00541	8.0
125.00983	8.6
127.02522	4.3
128.03555	3.7
129.00407	4.2
139.02504	7.0
141.00443	63.1
141.01434	2.4
142.05075	4.3
144.99928	15.1
149.06046	5.7
153.00444	13.6
155.02036	3.0
167.02002	4.4
171.01505	11.5
181.03549	7.2
195.01556	6.7
201.02545	55.1
202.02695	6.0
217.00328	3.9
238.97148	7.9
239.04213	6.5
256.98300	12.0
261.04715	24.6
272.46130	3.7
275.40988	3.4
298.99371	58.1
299.99402	8.0
325.95056	3.8
359.08270	11.7
379.21326	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.11
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.9
66.03472	1.9
69.31056	9.0
71.01390	3.3
73.02915	1.4
80.32364	1.1
81.33669	1.1
83.01355	1.0
90.27742	1.1
91.05543	3.0
101.02433	1.3
110.02502	1.6
113.02469	1.5
114.25975	1.3
132.04567	2.3
133.89769	1.3
143.80367	1.3
145.05112	1.5
160.04050	2.3
161.04733	1.4
168.08221	1.6
170.09711	4.4
184.06369	3.2
184.07692	9.8
185.03598	2.8
187.08788	5.7
190.05043	1.7
191.05711	1.6
195.07021	1.4
197.04916	9.1
199.05090	3.9
199.08829	2.1
210.09375	2.9
211.08820	8.7
212.05550	18.2
212.07362	9.5
213.03110	1.9
213.06657	12.8
214.07204	1.1
214.08803	10.4
223.06520	1.3
225.06656	1.9
227.08264	36.8
228.08868	5.3
237.10501	2.3
238.07111	1.7
238.08946	2.5
239.08232	1.7
240.05330	5.9
244.09799	4.4
253.09822	3.5
254.08157	2.8
255.07774	34.7
255.11514	2.2
256.08105	2.2
259.11023	2.0
265.06146	3.7
266.06946	12.5
267.07330	1.4
281.09378	7.7
287.07205	2.7
287.10413	48.9
288.10751	4.3
299.06848	3.1
299.10361	9.6
313.11887	9.0
325.08392	7.2
331.09375	100.0
332.09766	10.4
357.10959	42.1
358.11221	2.5
359.08734	3.2
419.10968	5.5
419.23004	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.9
57.03457	2.5
58.00601	1.1
58.44953	0.6
59.01388	100.0
60.01711	1.1
61.98837	0.7
68.99832	0.7
69.03468	1.5
71.01389	33.9
71.05035	6.2
71.28416	0.9
72.99289	1.3
73.02956	6.0
73.93917	0.7
75.00874	0.8
81.03449	0.7
83.01407	2.9
83.05009	0.9
85.02965	10.7
85.06586	0.8
87.00892	2.7
89.02457	12.7
91.73061	0.7
95.01389	2.0
96.96019	0.6
97.02952	1.3
99.00890	3.3
99.08239	0.7
101.02457	12.6
110.02496	1.3
111.00859	0.9
113.02465	11.6
113.06113	1.1
119.03526	4.8
125.02464	2.2
125.06123	1.0
131.03569	4.6
131.07094	1.5
132.04608	2.0
141.01924	0.6
143.03511	1.7
143.07158	29.9
143.10788	2.7
144.07452	1.4
157.07707	0.9
158.06117	0.9
160.04121	1.5
161.04617	3.5
174.35509	0.6
179.05638	1.1
179.10828	0.9
179.51440	0.7
192.06740	1.6
197.11777	0.7
199.26498	0.6
204.03029	0.8
215.05597	5.0
215.12923	0.8
219.07664	0.8
228.57387	0.6
236.05565	2.3
239.12956	0.7
252.18419	0.7
261.08801	6.1
273.04785	0.9
275.11435	0.7
281.09354	0.8
293.12491	8.2
299.10144	0.9
305.16132	1.4
347.17108	7.9
359.17160	13.5
360.17258	1.3
375.11917	0.8
377.18192	11.9
378.18579	0.9
401.18149	0.8
410.74060	0.6
419.10562	1.4
419.19156	21.6
419.24268	1.3
420.19363	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	419.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49032	1.0
52.07753	1.0
55.01888	1.6
57.03442	2.5
58.00599	3.2
59.01386	100.0
60.01727	1.0
60.36493	0.9
60.65770	1.1
69.03461	1.5
69.07269	2.4
69.07670	9.3
71.01389	77.3
72.01714	1.7
72.99322	4.1
73.02953	11.2
83.01394	5.4
85.02959	16.7
86.03178	1.1
87.00883	3.4
89.02454	96.4
91.23419	1.1
95.01407	2.0
97.02933	1.6
99.00912	4.1
101.01803	2.5
101.02452	37.2
101.22317	1.1
107.62280	1.1
109.45122	1.1
113.02459	18.3
119.03508	16.7
125.02432	1.6
131.03525	22.9
143.03526	3.3
149.04559	34.3
161.04556	3.4
179.05591	4.0
191.05624	11.6
202.02698	3.9
221.13948	1.3
257.08194	1.4
315.19452	1.1
322.80688	1.2
338.44955	1.2
419.23087	15.1
420.22977	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89276	1.4
55.01877	1.8
58.00591	2.0
59.01387	100.0
61.98808	1.8
69.03439	2.7
71.01389	59.9
71.29765	2.0
72.01709	1.8
72.99311	2.6
73.02954	67.7
83.01402	16.7
85.02943	6.4
89.02456	11.2
90.82672	1.4
95.01361	2.1
96.96027	1.3
99.00896	1.9
99.08131	1.5
101.02454	53.6
105.03468	1.8
113.02476	11.6
119.03487	3.1
125.02402	2.8
129.66603	1.5
131.03506	3.3
132.02203	1.7
133.02980	11.0
134.03716	2.7
137.02463	2.8
143.03462	3.0
149.04620	1.7
151.36198	1.6
155.03548	2.2
160.01659	3.8
161.02502	2.0
161.04628	7.9
174.03197	3.4
177.01929	8.6
178.02769	8.2
197.15483	54.3
198.15784	4.5
202.02774	6.5
213.09230	3.3
215.07063	2.5
215.16507	2.6
231.10165	3.1
256.07620	1.4
257.08185	5.2
261.46884	1.3
275.09299	2.3
299.09351	2.6
322.06921	4.4
329.10086	1.8
359.11145	2.8
359.20868	7.3
377.21838	36.3
378.22342	3.2
419.22849	73.2
420.23404	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	420.115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35547	0.8
59.01385	11.2
61.98832	1.5
62.87325	0.8
66.92259	0.8
70.44897	1.2
70.45238	1.5
71.01382	5.5
72.02461	0.8
72.99306	1.1
83.26924	0.8
85.02956	1.7
89.02451	3.6
100.04072	1.0
101.02429	3.3
102.05582	0.9
110.02490	100.0
111.00891	4.0
111.02832	3.1
113.02449	3.5
113.83690	0.8
119.03477	1.7
128.03560	25.1
129.03854	1.3
135.96458	0.9
143.04605	2.0
146.04559	1.6
159.98480	0.8
196.06158	1.6
240.05144	18.6
272.08847	1.2
306.07544	3.1
320.66333	1.0
360.13028	1.2
420.11475	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	420.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.7
57.03429	0.3
58.00586	0.5
59.01386	11.4
66.03493	0.5
67.01875	0.4
68.01433	0.5
69.06062	0.3
69.73907	1.4
71.01391	7.0
73.02948	1.3
75.00898	0.4
78.95903	1.0
82.02983	1.2
83.01399	1.1
84.04562	4.7
85.02959	4.6
85.04887	0.3
87.00890	1.2
89.02460	4.6
92.05062	0.3
95.01379	0.5
96.00932	0.5
96.04552	0.6
96.97007	0.3
97.02945	0.3
98.02480	1.6
99.00925	0.6
99.05671	0.3
100.04068	1.5
101.02460	4.1
102.05611	2.4
108.08224	1.5
109.01703	0.4
110.02491	100.0
110.06101	0.9
111.00896	6.6
111.02074	0.5
111.02824	5.2
112.04043	0.7
113.02451	3.1
119.03539	1.5
124.04063	0.4
124.07702	0.6
128.03555	27.5
128.07173	1.2
129.01949	1.5
129.03865	0.4
130.62227	0.3
134.06146	1.0
135.04550	0.4
142.08737	0.8
146.04590	0.9
152.07178	4.2
154.05200	0.4
161.04568	0.8
168.06616	0.5
170.08238	0.9
178.05078	0.9
179.05562	0.4
181.50461	0.4
184.06168	0.5
195.07809	1.6
196.06136	6.4
196.08044	1.7
210.07559	0.3
214.07173	0.8
233.08252	0.3
239.06731	0.6
240.05144	18.4
241.05408	1.1
271.76758	0.3
291.07291	1.5
315.34747	0.4
373.43295	0.3
376.12485	3.0
402.10077	0.3
420.11447	18.7
421.12100	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	420.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	10.6
60.46422	8.2
69.30666	43.2
69.31094	25.6
85.02944	18.8
86.22346	9.0
91.31777	8.8
93.03458	20.0
98.22579	15.9
113.02431	61.2
117.03511	26.0
129.76407	8.5
133.02980	63.7
145.02942	100.0
160.01517	11.2
163.03973	18.8
173.04581	20.2
177.01901	21.5
212.78674	9.6
324.60016	10.1
395.57495	8.7
420.10675	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	4.3
66.20393	2.9
69.29861	5.1
69.30268	17.5
71.01376	3.9
75.69759	2.8
85.02966	11.3
87.04523	6.1
96.81741	3.1
109.54797	3.1
113.02474	19.3
114.30483	3.1
117.03461	9.7
119.05076	3.3
133.02965	6.2
145.02965	33.6
160.84215	26.0
161.84203	3.5
162.83937	100.0
162.85295	5.0
163.03992	5.2
420.95178	11.5
433.44260	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	420.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	11.5
59.30283	8.7
69.29924	70.1
71.01359	9.4
85.02953	19.5
98.22572	9.6
113.02475	54.8
117.03442	28.7
119.05058	13.0
133.02972	18.6
145.02980	100.0
163.04010	15.5
289.21265	9.9
421.26395	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	420.2757
Annotation	6-Deacetylperegrine
Peak:m/z	Relative Intensity
70.45571	0.9
70.45908	1.0
83.35944	0.6
112.74315	0.6
113.02431	1.1
117.03471	0.7
117.54459	0.5
119.04977	0.7
121.02965	100.0
122.03291	2.7
127.87054	6.8
145.02921	0.9
155.90169	0.7
157.86343	0.8
159.86006	12.1
162.92551	1.1
180.77174	0.6
193.02284	0.6
199.89093	0.7
200.12511	0.6
259.76050	0.6
266.36728	0.7
339.49072	0.6
376.10303	0.6
420.03732	1.1
420.27573	48.1
421.27771	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	420.276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90399	6.4
58.94743	7.7
59.88009	7.4
64.82281	7.5
70.91052	8.8
70.91369	10.7
73.64436	7.5
78.95897	34.2
110.98562	48.6
184.25230	6.9
185.02228	100.0
200.40366	7.5
202.44055	7.3
210.26454	8.0
253.21722	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	421.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	3.2
59.01382	31.4
61.98843	12.4
69.28506	15.6
71.01393	10.0
73.02943	3.0
85.02956	23.3
85.86267	1.8
87.00878	2.5
89.02446	5.9
99.00925	2.1
101.02435	6.4
108.08248	2.2
113.02463	66.4
117.03480	27.7
119.05035	11.5
120.99635	3.3
133.02966	26.2
135.04524	5.9
145.02965	100.0
146.03259	3.4
161.02460	66.1
161.06133	2.2
162.02823	3.3
163.04024	15.9
187.04013	5.9
196.06136	2.3
259.15601	3.3
265.07187	3.3
361.18497	2.8
379.19769	3.1
397.87299	2.0
421.11450	27.0
421.20044	4.0
421.24680	4.1
422.11691	3.0
428.71555	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	421.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39904	2.1
57.03455	3.1
58.45909	2.6
59.01394	11.3
63.73207	2.3
71.01407	5.4
73.10986	2.2
85.02961	21.3
97.53472	2.2
113.02461	70.1
114.02761	3.2
115.48739	2.4
117.03470	33.5
119.05042	12.3
133.23740	2.4
145.02971	100.0
146.03294	6.6
163.04025	19.8
187.03992	7.2
198.09190	2.4
205.56779	2.4
215.48248	2.7
250.03342	2.4
261.14426	2.5
277.68262	2.3
421.16193	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	421.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	2.1
59.01375	7.7
61.98833	2.6
70.83842	2.1
71.01379	4.9
85.02955	20.9
92.33359	1.2
101.02454	1.3
113.02458	70.8
114.02779	1.3
117.03481	34.5
118.03828	1.7
119.05036	14.6
129.55125	1.2
132.04080	1.1
145.02968	100.0
146.03403	4.3
155.10803	3.2
163.04041	17.5
187.04005	7.5
199.09720	1.5
201.75348	1.1
217.10831	2.6
258.06592	1.1
259.11951	2.8
266.82574	1.3
421.11313	2.4
421.16330	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	421.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06477	1.0
55.01888	1.6
57.03452	4.6
57.03712	1.0
59.01377	12.1
59.07531	0.8
64.85940	1.0
69.27760	2.9
69.28182	5.6
71.01386	7.0
71.05016	1.4
73.02945	2.1
83.01410	2.2
85.02956	13.7
87.00853	1.0
89.02448	5.0
98.21788	2.0
99.00931	1.0
101.02451	100.0
102.02792	1.9
113.02456	43.4
117.03471	20.8
119.03561	1.5
119.05041	9.0
145.02956	54.4
146.03307	3.3
146.08246	7.3
161.04585	2.3
163.04010	9.0
187.04025	3.7
199.13213	1.1
277.12338	7.7
319.17667	4.4
378.16248	1.5
394.31049	1.1
421.20718	8.9
422.14655	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	421.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.6
56.49598	0.5
57.03449	6.9
58.34245	0.5
59.01129	0.7
59.01386	8.2
68.31232	0.5
70.02976	1.9
71.01386	7.8
71.05012	2.0
73.02940	2.1
80.38110	0.5
82.98356	0.4
83.01398	2.0
83.15491	0.4
84.02172	0.5
84.14099	0.4
85.02957	15.4
87.00882	0.5
87.05641	0.6
89.02444	1.9
93.03447	0.9
98.22511	1.4
99.00897	1.0
99.04507	1.1
101.02452	100.0
102.02787	1.5
105.88974	0.5
113.02461	52.3
114.02780	1.5
117.03477	22.9
118.03794	0.5
119.05041	9.7
119.05836	0.8
130.03362	1.1
134.56110	0.5
143.03494	0.8
145.02969	67.5
146.03314	3.4
146.08244	11.6
159.04486	0.5
161.04579	2.6
163.04036	13.1
164.04344	1.0
187.04013	4.7
199.31134	0.5
210.08727	0.5
217.12024	3.2
265.07278	0.9
277.12296	13.1
307.08508	0.9
319.17554	5.4
320.17938	0.7
361.18848	0.6
414.22791	0.5
421.11514	1.0
421.20956	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	421.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	1.5
57.03454	3.9
58.00632	1.2
59.01387	43.3
69.12479	1.3
69.12883	3.7
71.01389	44.0
71.05041	0.6
72.99334	1.6
73.02958	3.9
81.36240	0.6
83.01391	2.9
85.02961	18.5
86.03330	0.8
87.00905	0.8
89.02454	13.2
93.03512	0.6
95.01424	1.6
99.00935	1.7
101.02455	17.5
101.03099	1.0
101.82365	0.6
113.02466	52.7
114.02822	1.9
117.03480	23.3
118.03806	0.8
119.03523	5.8
119.05038	9.3
124.79745	0.7
131.03566	1.0
135.04597	1.1
143.03535	0.7
143.10837	2.6
145.02971	59.6
146.03357	2.1
155.03517	0.7
161.04604	1.2
161.06123	0.6
163.04047	11.0
163.05377	0.9
164.04469	0.8
167.03421	0.7
169.12212	0.7
177.05563	0.6
179.05635	1.2
187.04068	4.7
197.11940	2.0
198.09312	2.0
215.12886	6.6
223.10027	0.8
223.13539	1.2
241.14207	0.6
248.18210	0.7
256.38098	0.7
307.08301	1.4
327.09863	0.9
359.17139	2.4
377.18207	100.0
378.18469	8.1
403.19595	3.6
421.11679	1.3
421.20831	30.1
422.21347	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	421.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	7.4
57.03446	6.0
58.00573	2.3
58.55010	0.7
59.01385	41.4
68.99828	1.1
69.03423	2.9
69.14729	6.3
69.15150	1.6
71.01389	100.0
72.99274	2.7
73.02953	36.8
75.00847	2.5
81.03460	1.1
83.01391	14.0
85.02959	48.4
87.00884	4.5
89.01964	1.2
89.02458	20.6
94.83421	0.9
95.01406	7.8
95.04189	0.9
97.02991	4.5
99.00289	1.1
99.00890	19.8
101.02454	64.9
102.02743	1.2
109.47711	0.8
111.00857	1.7
113.02464	52.3
115.03979	2.3
117.03474	8.8
119.03479	2.0
119.05013	1.9
125.02465	8.0
127.11298	3.1
129.01895	2.3
131.03464	3.6
140.15207	0.9
143.03519	5.3
145.01927	1.7
145.02969	24.7
146.03313	1.6
149.04478	2.4
157.13153	0.8
159.03030	7.5
161.04570	43.2
162.04832	1.8
163.03949	3.5
170.20372	0.8
187.03877	1.2
191.05598	2.0
205.03418	1.4
233.06694	6.4
245.02736	0.8
265.99283	0.8
289.16589	66.4
290.17026	5.1
293.08734	1.4
369.55380	0.9
421.20572	56.9
422.20892	6.0
447.14941	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.2
55.99595	1.0
57.03447	4.3
58.00601	3.0
59.01386	86.6
71.01390	64.8
71.05033	2.0
71.29232	1.6
72.01685	0.9
72.99300	2.7
73.00134	0.9
73.02948	4.9
73.82014	0.9
83.01395	4.2
84.37783	0.9
85.02956	14.1
86.03322	1.2
87.00878	2.6
89.02451	40.2
95.01412	4.2
99.00890	1.7
101.02454	30.2
101.03120	1.6
113.02456	36.4
113.06117	1.1
116.92903	2.5
117.03481	7.9
119.03517	15.8
119.05003	3.1
130.67285	0.9
131.03552	1.4
143.03496	2.7
143.10765	2.3
145.02972	25.4
161.04576	5.7
163.04083	4.7
169.12352	3.9
179.05641	6.4
187.03981	2.2
197.11836	4.3
215.07130	1.6
215.12830	5.9
241.14519	6.3
259.11740	1.5
327.00000	0.9
359.17310	2.2
377.18195	57.1
378.18732	5.0
403.19711	4.9
416.46451	1.0
417.23489	1.2
421.20837	100.0
422.15344	2.3
422.21069	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	421.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.0
57.03455	4.0
58.00583	1.5
59.01382	34.8
59.17986	0.7
61.98832	0.8
64.71435	0.7
69.03446	1.3
71.01385	67.2
71.31794	0.9
72.01692	1.1
72.99305	3.5
73.02950	20.9
75.00880	1.4
79.16293	0.8
83.01390	12.5
84.02140	1.0
85.02956	41.5
86.00109	1.5
86.03313	1.3
87.00879	2.7
89.02443	12.4
93.03457	0.7
95.01381	4.4
97.02959	2.4
99.00886	10.5
101.02449	55.2
111.00906	2.8
113.02455	65.2
114.02762	1.6
116.34631	0.7
117.02655	1.4
117.03472	21.7
119.03510	2.0
119.05035	8.0
125.02441	1.3
129.01952	2.1
130.19797	0.8
131.03505	1.2
133.02940	1.0
143.03500	3.0
145.02963	68.9
146.03328	4.1
149.04527	1.2
151.16069	0.7
159.03050	5.8
159.04318	1.2
161.02493	1.4
161.04570	31.5
162.04883	1.2
163.04002	9.0
165.33298	0.6
175.87831	0.7
187.04059	4.4
191.05647	1.6
204.03355	0.7
205.03430	1.7
259.09631	0.8
259.19125	2.6
265.07385	0.9
289.16571	100.0
290.16977	7.1
333.15457	1.9
403.23468	1.1
421.11395	1.1
421.20056	3.5
421.25140	14.7
422.24884	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	421.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	5.7
55.84087	0.9
57.03444	6.0
58.00592	3.8
59.01384	68.2
60.01715	1.3
61.98834	2.8
62.61781	1.0
64.34834	1.0
68.99811	1.6
69.03440	3.0
69.56516	1.8
69.56920	4.0
71.01385	100.0
71.05019	1.7
72.01733	1.8
72.99313	7.4
73.02952	26.5
75.00864	1.7
81.03445	1.8
83.01389	13.7
85.02956	47.2
87.00874	6.4
89.02449	48.3
93.03439	1.3
95.01369	5.1
97.02952	5.2
99.00887	12.6
99.32024	0.9
101.02447	64.6
111.00889	8.2
113.02459	69.4
114.02776	1.6
117.03478	21.0
119.03513	3.4
119.05016	7.4
122.03777	1.0
125.02428	8.4
127.11296	2.5
129.01953	1.3
131.03510	22.6
135.04532	1.1
137.02455	2.3
139.04047	1.2
143.03516	4.1
145.02963	66.5
146.03296	3.3
149.04578	10.9
152.09177	1.0
159.03011	4.7
161.04578	24.5
163.04018	10.4
187.04008	3.5
191.05565	3.3
202.02800	1.0
233.06689	6.3
241.18112	4.4
241.53937	1.1
256.25458	1.0
259.09662	2.7
259.19165	17.3
282.30750	1.0
289.16559	31.5
290.17047	1.9
293.08765	1.8
294.32425	1.1
403.23334	1.6
405.88983	1.0
421.11734	2.7
421.20056	12.0
421.25058	63.6
422.25354	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	421.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
78.79625	4.4
78.95918	38.9
86.07410	4.7
110.98550	70.1
152.99698	6.1
170.75194	4.2
185.00642	7.3
185.02232	100.0
253.21765	25.6
288.58014	4.0
376.37042	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	423.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72161	1.7
59.01386	15.8
62.44509	1.8
69.46420	8.5
71.01384	6.8
72.06001	1.6
72.13910	1.7
73.02930	1.7
75.00843	3.4
78.95911	50.9
80.91676	6.0
85.02953	4.2
89.02457	5.6
96.96002	4.0
96.96973	85.2
101.02449	6.3
109.95671	1.6
111.76405	1.4
113.02458	2.5
117.03447	2.4
119.05043	100.0
120.05370	3.7
127.04029	2.3
135.04564	9.1
145.02948	4.1
163.04024	99.6
164.04309	4.6
169.50301	1.7
179.03548	14.4
200.57631	1.6
278.86102	1.8
312.52942	1.9
404.70120	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	423.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.4
59.01643	1.1
70.62576	3.1
71.01414	1.9
71.18742	1.3
78.95911	14.7
80.91692	30.1
89.02464	3.3
89.72219	1.3
96.96022	1.9
96.96970	24.4
102.43729	1.3
107.05054	1.5
113.02425	1.9
117.03524	1.9
119.05042	34.2
120.05378	1.9
133.13560	1.4
134.03770	2.2
135.04543	70.2
136.04869	3.7
140.69873	1.3
163.02734	2.4
163.04031	33.7
164.04347	1.9
173.04716	2.5
175.02538	5.8
179.03520	100.0
180.02362	1.2
180.03879	5.7
184.97658	1.4
190.01225	1.9
201.01730	1.5
217.03589	3.9
219.01535	7.0
220.42526	1.2
230.69124	1.4
261.02676	13.4
262.02823	2.1
318.35379	1.4
341.08679	8.1
364.06613	1.8
421.70013	1.6
423.07919	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	423.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53424	0.4
53.92385	0.4
59.01381	5.9
69.13899	4.3
69.14243	0.9
71.01389	3.5
73.92152	0.4
80.68071	0.5
80.94522	0.4
85.02956	1.4
86.42982	0.4
89.02444	1.3
91.08235	0.4
93.03439	0.9
95.01434	0.6
97.02953	1.0
101.02458	1.7
113.02457	5.4
114.28064	0.5
117.03480	33.4
118.03820	1.1
118.25478	0.5
119.05033	16.6
131.05051	0.5
133.06573	1.7
145.02966	100.0
146.03304	5.4
159.04518	2.4
161.06096	4.7
163.04022	20.6
164.04370	1.3
173.06052	0.7
177.05592	2.0
185.44893	0.5
187.04028	25.8
188.04308	2.3
191.07153	0.7
205.05055	6.8
207.97356	0.5
208.86601	0.5
217.05112	2.4
235.06140	2.4
265.07202	3.9
307.08353	2.3
307.11679	0.4
324.66312	0.4
325.09329	4.1
397.43896	0.5
408.55164	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42682	0.4
59.01384	6.1
61.23701	0.5
68.99092	5.3
71.01395	3.3
73.02926	0.5
85.02938	1.8
89.02442	1.8
95.01453	0.5
97.02960	1.4
98.22531	1.0
101.02432	1.4
103.54112	0.5
113.02470	4.2
115.19467	0.5
117.03481	29.4
118.03818	1.2
119.05046	15.7
120.05382	0.8
133.06607	1.8
145.02968	100.0
146.03291	4.2
159.04530	1.9
161.04726	0.8
161.06055	4.5
163.04021	18.3
164.04344	0.8
173.06058	2.1
177.05609	1.9
187.04024	28.9
188.04376	1.3
189.59167	0.6
189.79263	0.5
191.07132	0.8
203.07222	0.6
205.05069	7.3
217.05070	2.6
235.06123	3.2
265.07187	5.5
307.08234	1.8
313.66089	0.6
325.09299	5.8
326.09595	0.6
423.13144	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25350	0.3
55.43213	0.3
58.00585	0.3
58.54531	0.2
59.01383	7.0
59.07608	0.3
62.98832	0.3
68.42349	0.2
69.03476	0.3
69.25667	1.1
69.26088	1.0
71.01387	4.3
73.01818	0.3
73.02954	0.5
79.27340	0.3
79.60282	0.2
82.33823	0.2
83.01373	0.3
84.28978	0.3
85.02953	1.7
89.02454	2.3
93.03469	0.6
95.01413	0.8
97.02956	1.4
99.00904	0.3
99.01563	0.3
101.02443	1.3
113.02456	4.5
117.03481	31.6
118.03819	1.3
119.05042	15.6
120.05363	0.6
121.02994	0.5
121.75815	0.3
130.04185	0.4
131.05057	0.7
132.05789	0.7
133.06621	1.6
145.02968	100.0
146.03304	4.8
158.03709	0.6
159.04526	2.9
161.04697	0.3
161.06085	5.0
162.06429	0.5
163.04028	19.6
164.04263	0.6
173.06064	1.6
177.05637	2.2
187.04027	26.3
188.04364	1.8
189.05641	0.3
191.07253	0.4
203.07150	0.5
205.05081	7.1
206.05339	0.3
217.05060	1.8
229.05164	0.5
235.06137	2.4
265.07175	4.4
266.07416	0.4
305.43961	0.3
306.25031	0.3
307.08279	1.3
325.09335	5.1
326.09409	0.4
423.12479	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.13
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51061	0.4
59.01387	5.9
63.65083	0.4
64.25078	0.4
69.03445	0.6
69.50708	3.1
71.01389	3.7
84.56258	0.4
85.02981	1.5
88.64202	0.4
89.02452	2.7
93.03440	0.6
95.01415	0.6
97.02956	1.0
101.02438	1.8
113.02458	5.1
114.12083	0.5
117.03478	30.9
118.03815	1.1
119.05033	16.5
120.05370	1.1
133.06578	2.1
145.02962	100.0
146.03302	5.0
158.03732	0.6
159.04553	3.1
161.04868	0.7
161.06094	4.4
163.04025	20.9
164.04399	0.7
173.06114	1.9
177.05591	2.0
187.04012	28.6
188.04362	2.1
191.07123	0.8
203.07195	0.6
205.05064	6.5
217.04987	2.5
235.06158	3.1
265.07166	4.3
307.08237	1.1
325.09439	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	423.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.4
58.00578	0.3
59.01385	6.4
59.69749	0.2
69.03440	0.3
69.60342	1.0
69.60753	0.6
71.01392	3.8
72.63423	0.3
72.99322	0.3
83.01373	0.3
85.02956	1.5
89.02457	2.6
89.03975	0.4
93.03471	0.6
95.01392	0.6
97.02960	1.5
97.06603	0.4
98.21879	0.3
98.28921	0.3
100.04628	0.3
101.02468	1.5
113.02464	5.3
116.02687	0.3
117.03474	29.2
118.03795	1.3
119.03621	0.7
119.05037	16.2
120.05371	0.6
120.20501	0.2
121.02937	0.4
125.09733	3.6
131.04996	0.6
132.05867	0.3
133.06613	1.9
139.32002	0.3
145.02965	100.0
146.03302	4.5
158.03723	0.3
159.04561	2.4
161.02443	0.4
161.04683	0.5
161.06065	4.5
163.04021	19.6
164.04390	0.9
173.06046	1.8
177.05560	1.8
187.04015	25.9
187.09679	2.3
188.04349	1.4
191.07204	0.9
203.07179	0.7
205.05067	6.8
206.05328	0.4
217.05070	2.1
229.05095	0.6
232.97751	0.3
235.06149	3.1
247.06000	0.4
252.32104	0.3
265.07193	4.0
307.08249	1.7
310.59863	0.3
325.09277	5.2
345.04535	0.3
423.13672	0.5
423.18799	3.0
443.50873	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17678	4.7
53.30732	4.0
55.01871	4.5
59.01369	13.7
68.99840	5.8
69.03463	10.7
70.76991	13.4
71.01382	40.8
74.98128	4.0
89.02456	10.0
93.03475	4.8
101.00974	5.4
113.02460	100.0
119.05042	5.2
124.25498	3.9
135.12782	4.7
141.00513	6.6
144.10378	6.1
149.15826	4.8
152.09360	3.8
195.01517	8.8
197.75632	4.6
201.02638	6.1
210.99086	4.3
243.03516	22.7
261.02573	6.6
282.15430	4.8
325.04230	9.0
341.01898	7.5
363.08078	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34876	7.6
59.01382	70.9
70.18170	27.0
71.01380	62.4
73.02943	20.1
76.76335	9.9
83.01378	11.2
85.02964	19.4
89.02460	39.5
99.04549	25.7
101.02443	27.9
113.02467	37.8
117.03489	22.4
118.14117	9.5
119.03509	17.8
119.05032	20.2
125.02380	8.7
125.36028	8.4
145.02965	100.0
161.04552	27.3
161.06000	12.3
163.04004	30.3
187.04025	23.6
199.07617	9.8
243.06584	12.3
291.14444	51.2
357.34995	8.9
375.82758	8.2
423.18417	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	423.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.7
57.03447	3.1
58.00580	1.6
59.01383	24.7
59.45565	0.4
60.18616	0.4
62.04105	0.4
65.53423	0.4
67.33231	0.5
68.12997	0.4
69.03439	0.7
69.19307	3.5
71.01388	50.6
72.99323	2.0
73.02953	18.8
75.00862	0.9
79.23305	0.3
81.03428	0.4
83.01397	11.6
84.01720	0.5
84.02198	0.5
85.02956	25.3
86.00100	1.1
86.03323	0.4
87.00900	2.5
89.02456	8.8
95.01404	3.8
96.28311	0.4
97.02428	0.4
97.02952	2.2
99.00887	8.5
101.02452	47.5
102.02784	1.1
104.11533	0.5
105.03429	0.5
111.00890	1.2
113.02461	20.6
114.02805	0.5
117.03468	3.9
119.03490	1.2
119.05020	2.5
125.02444	1.8
127.11291	0.8
129.01942	1.0
131.03554	1.4
133.02960	3.8
143.03490	2.0
145.02972	14.8
145.04129	0.7
146.03302	0.9
149.04565	0.8
151.90417	0.4
159.03027	5.5
159.04329	0.9
160.01633	0.6
161.02406	0.8
161.04578	27.9
162.04950	0.6
163.04016	2.8
177.01892	1.2
187.04008	4.5
205.03450	1.0
205.05125	0.6
235.06091	0.6
265.07156	0.8
291.18152	100.0
292.18512	7.4
325.09525	1.0
335.17264	0.8
344.57986	0.5
423.22372	6.6
424.13797	1.1
424.22519	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
69.83618	8.4
73.97450	1.5
78.95918	13.0
98.21934	2.3
104.21001	1.5
110.98535	8.7
145.74463	2.0
165.48730	1.9
167.01208	9.9
167.18237	1.7
185.02191	3.1
196.02005	1.7
206.53491	1.8
255.23326	100.0
256.23700	6.2
392.32318	2.1
419.16568	1.8
423.25201	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	423.252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.3
70.33794	0.7
78.95911	16.6
94.99031	0.4
104.97474	0.6
110.98546	11.8
137.00121	0.6
152.99593	0.3
167.01163	11.1
172.39424	0.2
185.02223	2.5
255.23311	100.0
256.23679	8.3
285.82547	0.2
295.63971	0.2
322.09830	0.2
423.25192	10.2
424.25406	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	425.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36198	0.6
59.00868	0.7
59.01383	5.6
60.27036	0.7
71.01392	4.0
73.02950	0.9
81.03458	0.8
83.01432	0.7
85.02957	2.3
89.02455	2.0
93.03483	1.0
98.21783	1.4
101.02460	1.7
113.02455	2.3
117.03474	31.8
118.03800	1.4
119.05035	52.0
120.05402	2.0
121.02964	1.3
145.02963	100.0
146.03333	8.3
147.03508	2.1
159.04546	1.2
161.02441	1.5
161.04692	1.2
161.06081	2.4
163.04018	64.6
164.04367	3.6
168.82649	0.7
173.06134	0.8
176.54883	0.8
177.05641	0.8
184.31386	0.7
187.04016	15.7
188.04379	1.1
205.05109	2.9
217.05077	1.7
219.58936	0.6
235.06129	1.3
265.07166	3.1
282.13943	0.7
325.09225	6.0
332.89932	0.7
425.14563	19.6
426.15060	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	425.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	8.4
61.98837	0.9
69.08432	6.4
71.01390	7.3
72.99319	0.7
73.02963	1.1
81.03465	1.0
83.01382	0.9
83.93799	0.6
84.85029	0.6
85.02962	2.5
89.02456	3.7
93.03490	0.9
95.01395	0.9
99.00884	1.9
99.04514	0.8
101.02461	3.8
113.02475	4.0
117.03484	25.9
118.03801	1.8
119.03593	1.2
119.05040	24.7
119.47181	0.7
120.05364	1.5
121.02960	1.9
133.02977	11.9
135.04535	4.7
137.02487	0.7
145.02971	100.0
146.03302	7.5
147.03497	0.9
147.04544	0.9
161.02467	44.5
162.02867	2.3
163.04025	41.4
164.04358	2.7
168.31161	0.7
179.03560	3.6
179.05692	0.6
187.04080	4.0
188.04335	0.8
211.07680	0.7
214.10431	0.7
245.08066	0.6
265.06836	0.8
325.09320	1.2
425.14575	50.9
426.14862	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	425.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52628	0.9
59.01383	5.6
59.31895	0.8
63.21460	0.7
66.95296	0.8
68.66235	0.8
69.23730	4.5
71.01389	4.3
73.02927	0.9
74.33990	0.8
81.03448	1.1
85.02956	2.4
87.14143	0.8
89.02438	1.1
99.04556	1.2
101.02444	2.4
113.02461	2.9
117.03467	31.5
118.03827	2.2
119.05035	70.9
120.05338	4.3
121.02969	1.5
123.94864	0.8
133.02945	1.2
145.02963	100.0
146.03299	7.0
159.60730	0.7
161.02461	1.9
161.06131	1.5
163.04019	96.1
164.04382	6.3
177.05582	0.8
187.04004	11.8
188.04346	1.7
189.04518	1.1
205.05038	3.4
212.18240	0.7
217.04980	0.9
227.00290	0.9
235.06064	1.1
245.08237	1.0
265.07199	2.3
307.08276	1.4
325.09323	5.5
326.09772	0.9
352.33704	0.8
425.14545	31.2
426.15063	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	425.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83033	1.2
52.07005	1.3
55.01888	2.0
55.20731	1.4
57.03460	3.3
58.00587	5.0
59.01384	100.0
65.15418	1.7
69.32498	8.1
69.32915	3.3
71.01387	75.8
72.01718	1.3
72.99318	2.6
73.02959	3.4
78.57040	1.6
83.01418	1.7
85.02953	12.8
87.00889	6.5
89.02451	89.5
95.01417	3.8
99.00907	3.5
101.02451	69.1
101.03122	3.3
113.02465	28.6
115.04005	1.8
118.96640	2.3
119.03526	28.4
125.02527	1.7
131.03522	3.7
134.18475	1.5
143.03517	7.1
149.04596	3.1
155.04597	1.4
161.04587	9.1
165.05640	1.6
179.05620	17.8
212.14690	1.7
215.05922	1.6
221.06773	4.2
245.03409	2.8
263.04370	1.6
422.18033	1.7
425.08774	2.9
425.16577	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	425.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69056	1.7
56.19717	1.4
58.00592	1.4
59.01382	100.0
61.98841	1.8
63.95057	1.6
69.42551	7.1
69.42958	3.9
71.01391	28.2
72.99315	3.3
73.02946	7.5
82.27136	1.7
82.95432	7.1
83.01363	3.7
85.02950	11.0
87.00829	2.1
89.02444	13.4
99.00889	3.0
99.92589	2.8
101.02451	28.3
113.02449	12.6
115.92056	2.2
119.03487	7.4
119.05020	4.6
131.03523	2.1
135.04556	1.7
156.57326	1.6
159.02943	2.6
161.04564	18.3
163.04030	2.7
168.89316	1.6
179.05679	3.1
203.12938	2.3
227.81073	1.9
228.08849	2.9
365.18149	87.1
366.18573	8.2
413.87692	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	425.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.6
59.01383	100.0
61.98826	7.5
63.84834	1.8
64.47040	2.0
68.12283	1.8
69.05677	21.0
71.01384	42.1
72.99313	14.1
73.02945	7.8
73.78679	2.0
74.27782	1.9
75.00878	2.4
79.23581	1.9
83.01388	4.9
85.02934	10.4
87.00906	4.3
89.02451	23.9
91.71265	2.4
93.03472	6.0
95.01403	3.3
99.00888	32.3
99.04496	2.3
99.92561	3.1
101.02450	23.6
113.02454	18.1
115.92127	4.7
116.92886	2.7
117.03491	13.1
119.03528	8.8
119.05033	47.5
120.05355	3.3
120.23297	2.4
121.03007	7.3
123.04533	3.1
124.83355	1.9
131.05026	2.9
143.03497	4.9
145.02957	31.2
159.03062	2.7
161.02480	4.5
161.04584	21.0
161.05934	2.8
163.04016	52.9
164.04344	4.2
164.64218	2.0
173.09720	2.1
175.07634	13.8
179.05629	5.4
183.08195	4.4
199.07643	3.6
201.09210	18.6
203.12953	4.0
218.94655	2.2
245.08176	18.0
268.95193	3.3
293.16101	5.4
365.18146	41.8
366.18451	5.7
425.02078	3.0
425.14645	39.6
426.14923	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.2
57.46217	0.6
59.01387	24.0
61.98819	0.8
69.03448	1.4
69.30367	2.9
69.30778	2.0
71.01389	6.2
73.02955	9.2
81.03474	1.1
83.01405	4.3
83.05025	1.7
83.87827	0.7
85.02934	0.8
86.70863	0.7
89.02508	0.7
97.02940	0.8
101.02457	5.8
106.04251	2.0
107.05041	0.9
107.08694	2.1
113.02476	1.8
115.19213	0.6
119.03460	0.7
119.05008	0.7
125.02406	1.0
133.10226	1.4
135.11819	8.9
136.12132	0.7
145.03018	1.2
155.03531	0.6
159.08179	1.7
161.09724	15.0
165.68770	0.6
175.11325	1.3
179.10793	100.0
180.11107	4.7
193.12340	1.2
203.10802	3.7
205.08702	1.4
223.09767	22.2
224.10092	1.1
248.06702	0.6
265.10861	1.9
427.16238	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	427.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.2
57.32152	0.9
59.01383	45.1
59.11587	0.7
61.98825	2.4
69.03453	1.5
69.18266	2.2
69.18681	5.3
71.01024	1.2
71.01384	14.5
73.02574	1.2
73.02953	18.0
76.68455	0.9
81.03471	1.4
83.01383	5.3
83.05019	1.1
85.02969	4.0
89.02451	1.8
93.03450	0.7
95.01385	1.4
97.02969	1.2
99.04546	1.3
101.02447	12.1
105.07096	1.1
106.04241	12.8
107.05051	6.1
107.08662	1.8
111.04510	1.6
113.02448	4.9
116.59281	0.8
119.05058	1.5
119.70256	0.8
125.02498	1.4
133.06641	1.1
133.10283	1.5
133.27538	0.8
135.08231	0.8
135.11810	8.1
135.25049	0.7
138.03259	5.6
138.45863	0.7
143.03488	1.2
143.08719	0.9
145.02983	1.0
145.10168	1.5
149.04529	1.3
149.06088	0.9
155.03560	1.0
159.08118	1.5
159.11806	4.1
161.04549	1.6
161.09729	27.9
162.10063	1.6
177.09230	0.8
179.10783	100.0
180.11104	5.1
203.05699	1.2
203.10791	19.6
203.14606	1.1
204.11125	1.3
205.08604	3.6
215.10854	1.4
221.15572	2.4
223.09767	21.7
224.10080	1.9
229.06279	0.8
247.09781	3.2
265.10974	1.5
265.14417	6.3
277.10822	1.5
289.10873	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	3.5
59.01381	64.9
61.98817	9.9
69.41603	11.2
69.42014	6.7
71.01388	55.1
73.02948	11.2
80.91660	4.5
83.01404	5.7
85.02950	24.2
87.00878	6.7
89.02451	26.1
93.03451	4.0
96.95992	3.1
99.00895	8.2
99.92563	6.0
101.02446	49.8
113.02450	30.7
114.05612	4.7
115.92084	3.6
117.03506	6.3
117.71577	2.9
119.03481	8.6
119.05025	6.6
131.03529	3.5
133.02986	3.7
135.04521	3.3
145.02977	9.3
159.03036	4.2
161.04559	14.6
163.04030	5.5
173.09749	3.8
177.01883	3.3
179.05721	4.4
201.60950	2.6
204.06429	9.6
205.06738	4.3
235.11879	100.0
236.12312	5.4
265.07297	8.2
265.11108	3.0
265.13962	2.7
287.70255	3.2
300.49133	3.5
344.13101	4.4
345.13766	7.9
367.11407	15.2
367.16098	48.0
368.16476	4.0
427.16528	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69266	4.5
59.01382	76.0
61.98828	23.9
69.14620	10.4
69.15030	30.1
71.01392	59.9
72.99298	7.3
73.02943	11.0
75.00877	10.0
83.01383	14.3
85.02956	27.4
87.00864	10.0
89.02464	23.6
91.04099	4.0
93.03463	11.7
95.01385	5.7
97.06570	5.9
98.21761	9.5
99.00873	16.4
101.02444	56.3
106.06644	6.4
113.02459	18.7
113.06596	4.6
117.03446	5.3
119.05030	21.4
121.02967	12.6
135.04482	7.7
137.02448	5.5
145.02992	28.2
161.02492	7.8
161.04504	9.8
163.03978	19.8
166.57330	4.7
179.03542	7.1
191.05611	14.7
226.04846	4.8
235.11859	100.0
235.14088	7.8
245.70450	4.6
251.48477	5.2
265.07083	5.2
265.56870	8.2
367.16000	36.7
395.14624	6.3
427.16553	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	1.3
59.01385	100.0
60.01707	1.3
69.72040	4.8
69.72417	2.2
70.90762	0.9
71.01387	26.3
71.55014	0.9
73.02953	24.5
76.88500	1.0
83.01397	5.8
85.02971	5.9
87.00879	1.7
89.02455	9.3
94.65431	0.9
95.01376	1.7
96.58454	0.8
101.02451	22.6
107.98259	0.9
113.02456	13.6
119.03523	2.1
120.05871	1.2
122.55439	1.1
125.02494	1.2
126.65343	0.9
131.03490	1.4
135.08208	2.2
143.03557	1.6
147.97571	1.2
153.09254	13.1
161.04596	5.0
165.09174	1.6
205.12376	2.2
208.03049	1.1
223.10979	2.0
223.13193	2.1
251.45328	1.0
274.05804	1.1
312.47595	1.0
372.75107	1.1
427.19971	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	427.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	2.2
59.01382	100.0
68.20881	1.4
70.08038	4.4
70.89220	1.6
71.01389	31.1
73.02956	11.0
79.70522	1.5
83.01405	4.7
85.02956	7.3
87.00867	1.9
89.02452	31.1
95.01418	1.8
101.02451	16.8
113.02483	10.6
119.03508	14.2
131.03514	1.6
136.07715	3.7
143.03471	2.1
145.02957	2.6
146.75008	1.6
149.04727	1.8
153.09230	5.4
161.02498	1.8
161.04568	2.9
162.05573	5.5
163.06003	1.7
175.07523	1.8
179.05666	4.6
187.11285	12.6
190.07608	1.9
190.10159	1.8
205.12346	23.6
209.11745	3.3
223.13480	2.1
265.14355	2.9
293.62357	3.0
427.20047	11.1
428.20129	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74642	0.7
57.03461	1.1
59.01384	100.0
60.01734	0.7
65.80953	0.7
69.03455	0.7
71.01389	11.9
73.02955	3.6
83.01412	1.4
85.02959	4.4
89.02488	2.5
95.01408	1.5
98.23110	0.7
99.00924	0.8
101.02439	4.5
109.06720	0.7
113.02456	7.6
136.05249	1.4
138.06845	4.4
139.07677	1.0
145.02942	4.1
151.07668	3.8
152.08444	12.9
153.09233	24.5
161.04637	2.3
162.80301	0.8
179.11151	0.7
190.10197	1.0
191.10719	0.7
205.12344	13.0
223.13454	1.6
229.18515	0.9
247.09831	0.6
256.73166	0.7
367.17645	7.8
385.19058	0.8
427.15952	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	427.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01744	0.9
69.19398	3.3
69.19815	2.8
70.11092	0.6
71.01392	10.2
73.02951	12.0
75.19542	0.6
83.01414	2.3
85.02982	1.6
89.02469	3.2
93.95251	0.7
95.01422	1.1
101.02459	10.3
110.19328	0.7
113.02458	5.0
119.03543	1.6
131.03499	1.1
143.03563	0.8
145.03011	0.8
153.09305	1.5
161.04633	2.0
165.09248	1.3
172.67308	0.7
224.97551	0.6
262.54736	0.7
371.29480	0.7
427.16211	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.7
57.03439	2.0
59.01385	100.0
61.98829	0.9
69.03444	1.6
69.09464	3.8
69.09893	3.2
71.01389	35.6
72.99300	1.9
73.02955	37.2
81.03464	1.3
83.01395	10.8
85.02974	6.7
87.00874	2.3
89.02454	14.3
95.01388	2.4
99.00896	2.1
101.02452	33.1
102.02837	0.9
107.05007	0.8
113.02463	15.1
117.03484	2.2
119.03515	5.2
119.05015	3.1
120.05349	1.2
123.08186	1.8
125.02452	1.9
125.09782	1.1
126.61003	0.6
131.03502	2.7
135.08170	1.4
143.03503	3.6
145.02969	4.2
146.03296	2.6
147.03532	1.1
149.04552	2.8
153.09225	9.6
155.03514	0.8
161.02448	1.4
161.04565	9.0
163.03990	3.0
164.04340	1.6
179.05681	2.0
187.11322	2.1
205.12358	10.0
223.13412	1.8
247.13464	0.8
265.14554	1.4
367.17722	4.1
385.18762	7.3
427.15216	2.8
427.20410	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	427.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
55.75911	0.7
57.03446	1.9
59.01387	100.0
61.40419	0.7
69.03463	0.9
69.61333	2.4
69.61745	1.9
71.01389	37.8
72.01757	0.8
72.99325	1.1
73.02956	31.9
83.01395	9.4
85.02950	11.5
86.85902	0.7
87.00877	1.1
89.02454	8.4
95.01397	1.8
99.00906	3.2
101.02458	33.7
112.59007	0.7
113.02469	12.4
119.03518	3.8
125.02485	1.9
131.03549	2.0
143.03543	3.7
145.03134	0.6
149.04614	1.3
159.03021	1.6
161.04581	14.2
161.13382	35.9
162.13686	1.5
172.13800	0.7
179.05692	1.2
203.05783	1.2
205.12354	2.2
252.59680	0.7
368.51508	0.8
385.18637	1.5
404.29770	0.8
419.38391	0.9
427.19815	14.7
428.19907	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	427.198
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
51.57478	0.8
52.61518	0.7
53.57021	0.9
54.21158	0.8
54.59767	0.8
59.01385	5.6
59.33712	0.7
59.98535	1.1
69.74433	0.9
71.01390	4.2
71.30354	1.1
73.02964	1.1
83.01398	1.0
83.27721	0.8
85.02970	2.0
89.02464	2.4
95.65356	0.8
99.04530	16.5
101.02450	2.6
113.02460	3.5
133.02917	1.8
135.08191	1.4
138.22626	0.9
145.02982	1.4
151.24854	0.8
203.14420	10.3
209.15778	0.8
221.15480	41.9
222.15797	2.6
247.13448	1.4
253.06425	1.0
265.14468	100.0
266.14832	8.9
289.14478	2.1
307.15500	2.8
330.53229	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	18.9
69.23469	30.0
69.23875	100.0
97.86477	15.4
98.21819	32.6
99.82488	16.4
108.93983	16.9
224.09933	16.2
254.14940	15.6
265.21545	17.7
283.73450	16.1
286.31229	15.8
320.39874	16.0
327.07916	16.3
388.36536	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	428.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.24388	5.6
61.98840	14.0
69.33254	5.2
71.01389	47.7
71.30412	9.4
83.01377	8.4
85.02943	17.9
88.27338	7.0
89.02443	28.6
93.03517	12.3
96.96986	8.3
100.41196	6.0
101.02451	25.1
104.94917	6.1
113.02436	15.4
119.03497	10.5
119.05026	18.1
123.04547	9.9
135.04562	9.4
141.78470	6.8
145.03017	10.0
161.04524	10.6
163.03975	11.8
223.07657	22.1
297.12997	6.2
309.60944	6.5
327.08810	26.7
428.10266	10.8
429.21411	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	428.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
69.25120	95.4
71.01393	33.5
78.69826	13.6
80.87112	11.8
89.02429	26.7
101.02443	30.1
119.05047	41.9
134.36786	12.6
137.99768	12.4
147.81718	11.1
154.71368	10.6
162.70316	12.1
163.04053	18.7
186.02745	13.2
211.07704	34.2
223.07722	36.6
269.05112	12.3
287.87149	12.3
327.08783	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06601	4.3
58.75612	3.8
59.01386	44.1
69.53718	4.1
69.54082	26.9
71.01396	22.0
71.43970	4.5
71.92490	4.8
85.02973	3.8
89.02450	34.9
101.02467	12.2
113.02441	9.4
117.03539	5.0
119.03500	11.3
119.05075	12.4
121.02962	14.4
122.03312	8.7
134.03761	100.0
137.02443	6.1
138.01350	4.4
145.02956	11.1
146.03281	4.5
149.06075	37.0
163.03944	4.9
178.02707	25.9
179.05670	14.6
193.05074	48.3
201.49762	4.4
208.26180	4.3
211.07748	7.8
223.07683	13.1
223.14960	4.3
327.08963	6.7
369.09695	4.8
410.15262	5.6
429.13977	87.7
438.32779	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	428.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	49.3
71.01389	48.9
85.02956	17.5
89.02438	39.0
92.54397	13.0
98.22549	28.4
101.02442	45.5
113.02513	34.0
145.02946	21.5
151.07727	15.2
152.08440	34.6
153.09241	100.0
161.04535	54.2
205.12372	27.6
223.13400	48.4
385.18521	79.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	47.1
60.38455	14.3
69.37434	100.0
71.01394	25.9
89.02465	25.4
95.74052	14.1
95.74649	14.9
101.02486	18.8
106.42625	15.0
107.26248	15.0
109.02869	13.9
119.03516	30.2
156.77362	16.8
161.94255	14.9
223.07649	23.3
300.79007	17.5
327.09036	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	428.192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58331	1.0
59.01388	100.0
60.01707	2.2
61.98811	2.2
70.79557	1.2
71.01393	25.5
72.01744	1.5
72.99322	2.2
73.02953	6.8
76.65795	1.1
83.01401	2.0
83.05022	1.3
85.02971	3.9
87.00899	1.7
89.02456	28.2
93.03482	6.6
101.02447	18.0
113.02467	11.1
117.03443	2.0
119.03542	11.9
119.05029	25.4
131.03558	1.5
131.05022	1.4
133.03076	1.3
137.09744	4.7
138.10472	1.6
143.03493	3.0
143.05045	4.9
145.02986	6.8
149.04602	2.5
149.11934	1.2
159.04372	1.4
161.04547	5.2
161.05951	2.7
163.04037	11.1
171.04541	1.4
176.09018	1.4
179.05656	7.6
187.04022	1.6
205.05081	4.5
205.12363	7.8
206.12810	1.4
211.07654	12.2
223.07640	19.8
223.10883	2.4
237.09221	5.3
239.10701	1.5
265.06628	1.6
265.08691	6.1
309.07809	1.8
325.10999	1.9
327.08762	20.2
369.09622	3.9
385.18613	8.2
388.10101	1.2
428.20480	9.7
429.21274	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	16.4
69.12109	3.6
69.12527	2.8
71.01392	6.5
72.99238	0.6
73.02928	1.5
83.01389	0.8
85.02997	1.2
86.72900	0.7
88.89971	0.7
89.02460	2.6
93.03474	2.9
98.22546	1.6
99.00848	1.0
101.02473	2.8
113.02464	1.7
119.03574	1.6
119.05042	8.3
121.02975	2.6
121.95050	0.8
128.86726	0.7
133.02979	1.9
133.06633	0.9
134.03757	100.0
135.04147	3.0
137.02451	7.3
139.03993	3.5
143.05037	1.4
145.02942	1.9
147.04567	1.1
149.06097	43.6
150.03235	0.8
150.06436	1.5
157.03502	0.7
161.06032	0.8
163.04001	4.2
166.27043	0.7
178.02733	33.1
178.88919	0.9
179.03094	1.7
192.04369	1.1
193.05075	53.3
194.05482	1.9
195.26752	0.8
205.05061	2.0
211.07692	4.3
213.05560	0.7
223.07625	9.2
224.07997	1.2
237.09230	1.7
249.07617	1.1
265.08597	2.9
327.08780	5.1
429.14026	79.9
430.14349	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1407
Annotation	Shermilamine C
Peak:m/z	Relative Intensity
53.30935	0.6
59.01386	21.3
62.42049	0.5
69.31551	1.2
69.31953	3.7
71.01388	3.0
73.02959	0.9
85.02979	1.1
86.82637	0.6
89.02455	1.4
93.03474	1.6
100.99992	0.6
101.02460	2.3
107.05047	0.6
109.98282	0.6
113.02480	1.1
119.03526	1.0
119.05022	2.9
121.02975	2.0
133.02982	1.4
134.03757	100.0
135.04071	3.8
137.02477	8.3
138.31458	0.5
139.04016	2.0
141.57962	0.5
143.66161	0.6
147.04576	0.7
149.06099	39.0
150.03241	0.7
150.06442	1.7
160.05223	0.5
163.04019	1.5
178.02736	34.2
179.03070	1.6
193.05074	53.6
194.05414	2.4
223.07671	2.0
237.09259	0.6
249.07806	0.8
267.08820	1.1
327.08759	1.7
371.65396	0.6
403.94238	0.7
429.14038	89.5
430.14465	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	429.195
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52159	0.5
69.41000	3.1
77.94908	0.5
97.20894	0.7
99.92588	5.7
100.93381	3.6
115.92088	100.0
116.92092	4.5
116.92881	6.0
132.29985	0.5
132.92361	1.3
151.89085	0.5
172.95508	3.8
255.23230	0.6
381.17368	0.9
429.19510	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	429.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
57.03444	1.4
58.00597	1.0
59.01384	100.0
60.01728	0.7
61.33394	0.4
61.98831	0.8
69.16793	3.9
71.01387	21.9
72.99307	1.5
73.02950	4.0
73.42209	0.4
83.01412	1.7
85.02957	6.8
87.00895	1.6
89.02454	17.2
91.08812	0.4
93.03521	0.9
95.01375	2.2
98.21806	0.9
99.00915	1.3
99.04535	4.1
101.02451	13.0
102.02820	0.5
113.02462	8.4
119.03513	7.6
119.05064	2.0
121.06712	0.5
123.04515	0.6
125.02525	0.5
131.03514	1.1
137.09700	2.9
142.82448	0.4
142.83812	0.5
143.03529	1.5
144.68854	0.5
145.02994	1.1
149.04611	1.0
159.02997	0.9
161.04582	6.5
161.05945	0.8
163.04033	1.2
179.05627	2.6
205.12430	0.6
211.07608	1.2
223.07741	1.1
223.13632	0.9
227.03494	0.6
249.15228	0.5
255.03210	0.9
265.08734	0.7
267.12518	1.5
284.03363	1.1
297.13474	7.1
298.13956	0.8
317.63248	0.5
327.08896	2.0
429.08459	0.8
429.21234	4.9
430.21613	0.6
454.96078	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2132
Annotation	Dehydroradiosumin
Peak:m/z	Relative Intensity
55.01877	2.9
56.31548	0.5
57.03454	1.7
58.00601	0.7
59.01384	100.0
60.01704	1.0
64.67805	0.5
69.03497	0.5
71.01386	27.9
72.55525	0.5
72.99318	1.6
73.02950	10.0
73.17584	0.6
73.18164	0.5
75.00877	1.1
83.01392	5.5
85.02957	15.3
86.00117	0.8
87.00883	1.8
89.02458	4.1
95.01394	2.6
99.00880	4.0
101.02448	22.6
101.03121	1.1
102.02800	0.6
108.61633	0.5
111.00885	0.6
113.02462	12.6
119.03523	1.3
125.02470	1.1
127.79212	0.5
134.33365	0.5
143.03528	1.2
159.02957	2.0
161.04576	12.6
343.17126	1.1
343.21271	23.9
344.21509	2.3
387.20297	3.5
429.21277	25.6
430.21539	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	429.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.1
57.22117	0.9
59.01384	100.0
60.01703	1.2
60.60502	0.8
69.25964	5.6
71.01386	17.2
73.02941	4.4
74.44646	1.0
83.01414	2.0
84.44321	0.8
85.02954	7.8
87.15285	0.8
89.02485	1.1
92.41740	0.8
95.01395	1.4
97.02965	0.9
99.00874	2.3
101.02441	9.4
113.02450	7.1
120.00399	0.8
159.03017	2.3
159.80069	0.8
161.04576	12.4
162.04884	0.9
177.66066	0.8
192.11476	1.1
194.27409	0.9
196.73477	0.8
207.13861	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	429.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01715	1.0
66.41654	0.5
69.20925	3.9
69.21346	1.8
77.37581	0.5
91.16175	0.6
105.90832	0.5
119.05119	0.8
142.09587	0.5
162.53452	0.6
189.12891	0.7
211.07768	1.7
229.32124	0.6
265.08868	0.7
327.08908	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79142	0.4
56.09272	0.5
59.01386	100.0
60.01719	0.8
62.37374	0.4
71.01391	4.4
73.02955	2.4
79.64523	0.4
83.01411	1.2
85.02971	1.0
89.02469	0.9
92.81826	0.5
93.03484	2.0
98.22518	1.4
101.02460	3.0
113.02489	1.4
118.69719	0.4
119.03551	0.7
119.05066	2.9
127.19978	0.4
131.05025	0.7
143.05103	1.5
145.03021	1.1
152.06998	0.5
161.04652	0.5
163.04051	1.4
182.49240	0.4
189.12868	2.1
207.13959	2.3
211.07625	3.9
223.07675	2.3
225.15024	0.9
237.09297	0.9
239.10869	0.5
265.08792	2.0
309.07983	0.8
327.08768	5.2
328.09277	0.6
349.90457	0.4
369.09988	0.7
389.60010	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.9
57.03455	7.5
58.00599	2.1
59.01384	34.6
60.01714	0.5
65.03976	0.6
67.01891	0.6
68.99821	1.5
69.03465	9.2
69.43952	0.7
69.44361	2.5
71.01389	100.0
72.01729	1.3
72.99324	3.5
73.02952	17.6
74.79518	0.3
75.00883	1.9
76.97333	0.4
79.01900	0.7
79.04983	0.4
80.35432	0.3
80.35900	0.4
81.03457	3.8
83.01392	13.0
83.05014	0.9
83.47051	0.4
84.02219	0.9
85.02959	50.6
86.00108	1.2
86.03306	0.9
87.00883	12.2
87.01398	0.8
87.04504	0.5
89.02454	26.1
93.03486	1.3
95.01403	5.7
95.05068	0.6
97.02958	11.0
97.17568	0.4
99.00887	26.1
99.04543	1.7
101.02453	22.7
109.02956	3.2
111.00912	3.4
111.04532	2.5
112.01701	1.8
113.02459	41.1
114.02811	0.9
119.03546	1.4
120.99657	0.7
121.02981	1.1
123.00951	0.7
123.04564	0.7
124.01735	0.8
125.02458	29.5
125.38915	0.5
126.02847	0.7
127.04051	1.8
129.01979	0.8
131.03513	25.0
132.03876	0.8
137.02478	1.4
137.06129	0.5
139.04028	6.4
141.01997	1.3
143.03523	3.6
149.02477	0.5
149.04547	3.9
151.03996	0.5
153.12836	0.5
155.03523	0.6
157.05103	0.5
159.03076	0.6
161.04556	3.1
167.03506	3.9
173.04572	1.4
183.56802	0.4
185.04509	0.5
191.05632	9.2
197.04562	0.8
215.05618	43.7
216.05977	1.8
233.06662	21.4
234.06937	0.5
237.15086	1.1
274.07007	0.5
275.07794	1.7
292.08005	0.5
297.16797	0.5
327.08734	0.5
345.78995	0.4
411.20709	0.5
429.21179	8.1
430.21875	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	23.5
63.39183	14.8
69.27911	100.0
69.28326	39.7
142.03902	18.6
165.96422	20.8
187.32304	20.3
187.79497	20.1
275.58188	22.6
453.28360	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01711	6.0
61.98841	1.9
65.25609	1.8
71.01392	14.3
71.29390	2.1
72.99296	2.0
73.02953	4.6
73.48109	1.6
74.03316	1.7
83.01395	3.4
85.02974	4.6
89.02459	9.9
89.34098	1.8
93.03461	4.3
101.02464	10.9
113.02480	6.1
119.03535	4.8
119.05041	13.3
120.05405	5.2
143.05043	3.6
145.03000	3.0
145.12431	1.8
161.04630	3.9
161.05995	2.0
163.04051	5.9
164.04507	2.6
179.05620	3.6
189.12794	2.0
211.07625	4.0
212.07986	5.6
223.07660	5.3
224.08018	8.2
236.08136	2.0
238.09573	3.1
266.09009	3.2
324.75150	1.8
327.08829	2.0
328.09232	11.5
349.24417	2.0
362.29205	2.0
370.19449	2.9
387.20270	9.3
390.03088	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	430.208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01715	9.6
71.01392	29.7
73.02943	16.0
83.01416	9.5
85.02970	11.3
89.02485	11.0
93.03484	11.2
99.00925	5.8
101.02441	30.3
102.05633	7.0
113.02473	17.1
119.03486	6.7
128.03577	14.5
134.63872	5.6
173.06042	6.9
191.05586	12.5
219.92319	4.4
232.07481	9.8
233.08168	12.0
247.09897	6.5
261.11942	4.8
301.20114	9.0
316.66040	5.8
324.68683	6.0
334.10623	18.0
344.21979	10.8
371.24411	13.5
430.21515	10.1
430.24594	15.1
431.21994	11.0
431.27090	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	430.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12514	10.8
53.95594	13.8
58.01928	13.5
58.92623	13.1
59.01380	29.5
66.46393	13.0
69.22543	100.0
69.22943	27.3
71.01385	30.3
89.02469	18.9
98.21705	12.9
101.02419	19.4
113.02484	22.5
152.57458	14.1
153.09250	48.9
161.04520	24.8
205.12450	16.9
223.13400	20.6
299.83426	14.0
385.18744	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87360	3.4
51.34323	3.2
58.30787	3.0
59.01384	100.0
60.01711	7.6
61.98814	3.4
69.22739	3.1
71.01392	36.8
71.41056	3.8
73.02953	10.6
83.01418	4.9
85.02958	11.4
86.59830	3.3
89.02452	21.6
93.03472	14.5
95.01442	3.2
98.21785	11.3
101.02447	22.8
110.02429	3.1
113.02472	12.8
119.03492	6.7
119.05028	21.3
120.05377	7.2
123.04497	3.0
131.05016	4.2
143.05037	6.6
144.05357	5.3
145.02979	4.9
149.04510	3.5
149.69409	3.7
161.04604	11.3
163.04041	11.7
164.04366	9.5
179.05609	3.5
179.10646	4.2
195.10323	6.1
211.07550	10.4
212.07939	19.8
223.07593	8.9
224.08014	12.8
238.09599	6.1
265.08832	4.2
266.09076	12.8
311.10202	3.4
327.08798	6.9
328.09064	46.6
358.14865	3.8
370.10150	4.7
430.28003	7.9
431.19025	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	430.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	26.9
61.33177	12.4
61.98853	15.1
69.27941	100.0
69.28374	23.8
71.01385	22.6
101.02429	22.1
129.95758	14.0
149.53894	14.8
239.28595	15.1
257.05164	13.3
266.83832	12.4
367.98737	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	430.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21848	1.0
54.32649	0.9
56.18515	1.0
58.02172	0.9
59.01379	6.5
61.98830	3.4
66.35851	1.0
69.58887	5.6
71.01391	4.5
72.00924	10.9
83.01343	1.3
85.02987	1.0
89.02470	2.8
93.03474	7.9
98.21831	1.3
101.02492	1.8
104.09293	1.1
113.02464	2.5
119.03528	1.7
131.14909	0.9
137.02477	9.2
143.39143	0.9
147.04546	34.2
148.04845	1.6
150.72050	1.2
164.07178	100.0
165.07500	4.5
170.51817	1.0
173.01350	4.0
178.19920	0.9
215.02348	1.5
224.82281	1.1
225.04495	1.4
279.10855	2.3
317.05716	1.6
330.05002	1.0
331.76251	1.1
356.08398	1.5
386.09335	1.3
430.08716	2.2
431.08292	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	430.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08352	15.9
59.01373	42.4
69.29150	100.0
69.29567	34.0
71.01371	32.8
89.02437	30.0
101.02486	37.5
119.52540	13.0
152.99887	16.0
169.63403	15.9
183.70697	15.6
380.98087	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	17.5
60.88325	3.2
60.88661	4.8
60.99296	14.0
70.45248	9.7
71.01361	4.1
73.32645	3.6
82.04890	3.5
83.05025	13.7
85.07882	3.0
88.98286	7.0
88.98814	100.0
89.02441	10.1
113.02513	4.7
127.04073	19.5
127.04937	4.1
135.04503	4.0
137.02393	4.6
137.06087	6.1
166.75879	3.6
179.03465	4.8
218.09477	3.2
224.94153	39.4
268.93115	42.1
269.93301	4.0
326.92215	3.7
404.59637	3.9
430.98538	24.4
431.03760	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	431.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	37.7
60.01725	1.2
60.41249	0.9
61.98831	1.8
63.36407	0.8
66.10948	0.8
70.25754	2.8
71.01381	6.2
72.27466	0.8
73.02945	2.7
75.61369	1.0
75.94862	1.0
85.02951	3.1
85.44906	1.0
89.02456	4.3
95.01405	1.3
99.08188	0.9
101.02455	4.7
113.02463	3.2
117.62753	0.8
119.03502	1.6
119.05111	0.8
121.74831	0.8
125.02455	1.4
133.02910	0.8
151.00398	1.9
161.02502	1.0
161.04591	1.2
169.27208	0.9
183.04602	1.2
185.18074	1.0
189.05731	0.9
195.10294	1.4
207.10239	1.4
211.04140	1.6
227.03519	80.9
228.03836	4.3
229.04909	0.9
255.03012	91.7
256.03564	13.3
269.14014	1.4
284.03302	69.0
285.03952	18.0
286.04483	1.5
309.42249	0.9
327.05136	1.1
334.10379	1.1
378.24677	1.0
431.09860	100.0
431.22525	14.4
432.10165	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	431.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38031	1.1
55.19693	1.3
59.01380	2.2
60.99312	12.5
70.33576	2.9
88.98816	100.0
89.02446	14.7
89.99145	1.5
127.14575	1.1
246.36761	1.4
301.31073	1.4
341.10852	2.7
394.30997	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	20.7
60.40902	1.4
61.98829	1.4
70.63396	1.6
70.63712	1.8
71.01389	20.7
73.02961	12.4
85.02951	8.8
88.98786	1.4
89.02455	25.1
93.03474	29.5
94.03839	1.1
95.01387	2.8
95.66653	1.3
97.67769	1.2
99.00890	38.3
100.90452	1.4
101.02462	7.6
102.21869	1.2
113.02468	23.9
114.81358	1.2
119.03503	1.9
121.02967	1.9
125.02431	1.2
131.03506	4.7
135.04550	2.5
136.01743	2.3
137.02464	100.0
138.02771	2.5
138.05617	3.3
143.03508	1.1
149.02512	1.8
149.04581	10.4
151.04024	2.3
151.07663	1.3
161.04547	5.3
165.05573	1.9
167.68761	1.2
179.03497	11.8
191.05623	4.7
195.06485	1.6
198.22404	1.1
209.02875	1.1
209.04570	6.0
233.06720	2.3
239.05676	3.7
239.55525	1.1
251.05656	3.7
268.91336	2.2
269.10364	2.4
276.44876	1.3
286.51801	1.2
311.07742	29.1
312.08289	2.1
413.10544	1.4
431.11423	2.0
432.15536	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.3
57.03455	1.2
59.01382	100.0
60.01717	1.1
60.99313	0.7
67.01896	1.5
69.03452	0.6
71.01386	7.0
71.05050	0.2
71.31896	0.2
72.99322	0.4
73.02957	1.8
81.03465	0.5
83.01399	0.6
83.05035	0.6
85.02959	5.4
87.00886	3.2
89.02454	3.0
93.03466	11.9
94.03831	0.2
95.01365	0.4
97.02927	0.2
99.00895	0.9
99.04525	0.4
101.02450	4.0
109.02990	0.4
111.04531	2.2
113.02465	3.1
119.03516	1.9
127.04008	0.8
129.01955	0.4
135.04601	0.3
137.02470	0.3
143.03517	0.6
145.03020	0.2
153.02020	0.2
155.03529	0.3
159.02998	0.6
161.04572	3.4
169.10301	0.2
171.04541	0.3
172.05309	0.6
173.04556	8.2
174.04964	0.3
179.05638	1.0
184.05301	0.4
187.07623	0.3
191.05626	28.7
192.06030	1.0
198.06967	0.3
209.15346	0.2
213.09258	2.6
215.07237	0.2
231.10315	3.3
232.10640	0.3
241.01443	0.3
257.08209	9.1
258.08466	0.5
271.02475	0.2
345.02112	0.2
371.20694	0.4
374.63593	0.2
379.40683	0.2
388.20624	0.2
392.28830	0.2
431.07285	0.4
431.13553	4.6
431.18341	0.2
431.23087	1.0
432.13669	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33823	1.3
59.01385	34.7
61.98824	6.7
71.01386	25.9
71.28157	1.4
72.99305	1.2
73.02956	2.5
77.14929	1.3
80.91679	5.5
85.02961	4.7
87.00861	2.7
89.02456	33.4
89.97083	1.3
95.01413	2.3
99.00890	1.8
101.02448	15.1
108.02182	2.4
113.02460	9.9
119.03518	13.9
123.03240	5.5
131.03502	1.9
134.03725	3.9
135.04155	1.1
136.04312	1.5
138.02000	16.2
138.05624	100.0
140.07202	2.4
143.03497	3.4
149.04628	1.7
149.06081	2.6
161.04625	6.5
179.05637	14.9
180.06607	1.6
182.08289	1.7
189.76245	1.2
191.05594	1.4
193.10606	1.1
195.06662	1.7
243.92485	1.0
275.26923	1.1
300.11032	7.8
349.25848	1.2
362.52676	1.2
371.15698	2.0
384.08063	1.3
431.14365	8.3
432.15289	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	431.2206
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
69.84824	0.5
70.64004	0.8
78.95910	56.1
96.96968	7.0
132.63260	0.4
150.98045	1.5
152.99597	100.0
153.99956	1.2
165.36482	0.5
166.14391	0.4
171.00652	4.0
195.06842	0.6
208.26808	0.6
232.87138	0.4
387.08167	0.5
431.21872	4.8
452.79019	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03505	0.4
59.01384	100.0
60.01713	0.9
69.32444	0.9
69.32860	2.1
70.75561	0.4
71.01392	6.3
73.02950	1.1
81.24867	0.5
83.01405	0.7
85.02968	1.0
89.02450	6.5
96.74345	0.4
98.21861	0.9
99.00877	0.5
101.02449	4.0
109.40398	0.4
113.02441	3.0
116.02682	0.4
119.03518	3.3
123.86695	0.4
131.03543	0.6
143.03551	0.7
160.59395	0.5
161.04587	2.0
179.05698	1.7
191.20482	0.5
371.21024	0.6
431.23141	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	431.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
56.26206	0.2
57.03454	0.7
58.81028	0.2
59.01384	100.0
59.93088	0.2
60.01718	1.1
69.03474	0.3
69.29539	0.4
69.29948	1.1
71.01383	6.2
72.99319	0.4
73.02949	1.6
77.68044	0.2
83.01403	0.6
85.02958	2.7
85.67802	0.2
87.00924	0.3
89.02455	2.6
93.03497	0.4
95.01405	0.3
99.00912	0.5
101.02448	3.5
113.02453	2.9
119.03508	1.4
131.03563	0.2
143.03574	0.6
151.11407	0.2
157.08765	0.6
159.02995	0.6
161.04585	3.3
179.05621	0.8
191.05653	0.6
200.20067	0.2
200.95396	0.2
241.01259	0.3
257.08197	0.2
271.02493	0.3
274.26086	0.2
299.12076	0.2
316.12085	0.2
371.20624	0.4
431.06360	0.2
431.14209	0.3
431.23453	1.3
458.21948	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.7
56.10783	0.4
57.03436	0.5
59.01383	100.0
59.91047	0.5
60.01722	1.3
61.98832	0.7
69.09155	0.4
69.32495	3.3
69.53640	0.4
71.01388	8.0
73.02953	2.4
81.02934	0.4
85.02948	3.0
89.02442	3.2
95.01371	0.9
99.00899	0.8
101.02438	4.2
107.45496	0.4
113.02469	3.5
119.03477	1.0
119.05117	0.4
143.03529	0.5
159.02988	0.9
161.04570	4.4
162.82932	0.5
227.03482	2.2
247.09938	0.6
255.03035	3.0
269.14148	0.8
269.17700	0.7
284.03323	2.6
285.04013	3.6
294.45181	0.5
326.87799	0.5
431.10156	1.7
431.22821	8.4
432.23450	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.0
60.32631	0.3
62.95428	0.3
69.26698	0.6
69.27098	2.0
71.01390	3.7
72.99279	0.4
73.02945	1.2
81.03441	0.3
83.01383	0.4
85.02956	0.6
89.02468	2.8
95.01406	0.4
95.05044	0.3
97.06605	0.6
98.21763	0.3
99.00908	1.6
101.02449	2.0
102.98596	0.3
108.02168	1.6
113.02469	1.1
115.30975	0.3
115.60647	0.3
117.07126	0.7
117.34987	0.2
119.03509	0.4
123.03277	5.5
123.04545	0.8
124.35865	0.3
131.03506	0.3
133.06598	1.0
135.08179	4.9
138.02007	14.7
138.05624	100.0
139.02321	0.7
139.05971	2.9
140.07198	2.2
152.07205	0.5
153.04346	0.4
153.09221	2.2
161.04593	1.9
179.05739	0.3
179.07147	6.3
180.06728	1.4
182.08250	1.2
197.08189	6.1
253.09247	2.4
267.92422	0.3
289.59851	0.3
300.07593	0.6
300.10904	7.9
301.11395	0.6
302.12509	1.1
432.15204	13.9
433.16547	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	432.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	55.9
59.25067	2.4
60.01712	4.8
60.22726	1.8
61.01810	4.1
61.98835	100.0
69.43570	6.0
69.43978	7.9
71.01378	8.6
72.80127	1.8
89.02458	7.5
97.03911	2.1
98.21857	4.9
101.02421	3.0
113.02471	3.1
114.56152	2.0
119.03509	2.6
311.53323	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	432.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57036	1.5
54.85471	1.7
57.03442	1.9
59.01384	48.7
59.23053	1.6
60.01719	2.1
61.98834	100.0
69.29538	12.0
69.83519	1.8
71.01402	8.6
73.02947	3.2
83.01411	2.6
83.36979	1.7
85.02955	3.1
85.42812	1.8
89.02431	5.1
92.17194	1.7
98.21850	2.4
101.02454	5.8
102.43350	1.9
102.74817	2.0
104.63336	1.8
106.39787	1.6
107.01456	1.7
113.02454	5.4
119.04992	2.7
141.09883	1.7
151.00395	2.8
161.04634	2.1
173.08167	2.5
191.05615	2.8
197.11925	2.3
236.43976	2.0
269.04266	3.0
271.06207	5.6
275.33853	1.9
334.33649	2.0
432.10416	2.0
432.23242	27.7
433.24628	3.8
435.35873	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	432.188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01720	7.4
61.98835	52.2
71.01384	9.1
71.28840	0.9
71.29256	1.3
73.02973	2.5
85.02944	2.7
89.02457	7.3
91.35506	1.0
94.55565	1.1
98.90194	0.9
101.02463	5.7
113.02480	3.9
119.03508	2.8
141.32152	1.0
142.70314	1.0
151.29800	1.2
161.04538	2.1
179.05585	1.9
187.66780	1.2
197.11728	1.1
227.03560	5.3
228.03841	9.6
230.05316	1.6
255.03035	6.5
256.03409	13.4
257.04025	1.2
284.03244	5.8
285.03802	19.8
286.04407	21.7
287.04871	1.7
316.77591	1.1
372.21017	3.5
420.91010	1.1
432.10159	15.3
432.23071	4.4
433.10400	1.3
433.24469	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55544	1.3
59.01384	30.7
67.39169	1.7
70.65958	3.5
70.96252	1.4
71.01390	12.6
73.02940	1.9
81.03474	11.5
85.02955	4.1
87.00890	2.6
89.02438	12.2
94.77835	1.5
95.01379	2.2
95.85947	1.4
97.02962	3.9
97.06598	12.1
99.00900	4.3
99.04545	3.4
101.02449	11.1
107.05046	5.0
110.03765	3.7
113.02467	6.9
117.07124	14.4
119.03531	4.2
123.04523	14.3
131.05017	3.1
133.06604	18.6
135.08170	91.3
136.08482	2.3
142.02763	3.3
153.05536	1.6
153.09215	31.0
161.04555	7.6
163.04037	2.5
168.23921	1.5
179.05736	3.6
179.07143	100.0
180.07518	5.8
180.48988	1.6
197.08202	90.1
198.08585	3.7
199.45546	1.6
253.09270	39.7
253.11746	2.9
271.11819	2.7
289.99121	1.6
345.10193	1.5
362.38840	1.5
362.65106	1.6
396.03406	1.9
424.45303	1.8
433.17023	43.9
434.17465	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	433.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.9
59.01385	34.5
69.12444	2.5
69.12843	9.9
71.01388	19.6
73.02950	4.0
75.27479	1.2
81.03455	7.6
83.05035	1.5
85.02962	5.2
87.00854	2.1
89.02450	13.2
93.03476	2.4
95.05021	2.0
97.02960	4.0
97.06580	7.7
99.00899	3.1
99.04530	4.4
101.02451	15.7
107.05065	3.2
108.02214	1.7
110.03775	5.4
113.02455	6.4
117.07130	12.3
119.03510	3.5
119.05025	1.5
123.03288	2.7
123.04520	10.4
125.09763	2.1
131.05042	1.9
133.06601	14.7
133.86786	1.4
135.04549	2.2
135.08179	73.5
136.08449	2.7
138.02022	14.3
138.05620	39.0
139.02275	7.1
139.05968	22.2
143.03555	1.9
151.07608	3.3
153.09229	27.0
157.02782	1.4
161.02448	1.8
161.04590	6.1
161.06111	4.8
179.05751	3.6
179.07153	100.0
180.07520	5.5
197.08218	94.4
198.08617	4.4
253.09320	39.6
254.09619	1.9
301.11273	4.4
316.69012	1.6
330.53754	1.4
433.17001	39.8
434.17252	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	433.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	39.4
71.01376	21.2
81.03469	11.7
83.01363	2.3
85.02962	5.4
87.00890	2.6
89.02451	15.1
93.03451	2.4
95.05032	3.6
97.02946	4.5
97.06589	11.3
99.00886	3.5
99.04519	5.1
101.02455	17.4
104.18983	1.6
107.05009	2.6
110.03732	3.6
113.02422	5.8
117.03465	6.6
117.07099	12.5
119.03527	3.5
119.05032	22.1
121.91232	1.9
123.04525	17.4
131.05040	4.6
133.03004	8.4
133.05840	1.8
133.06636	18.2
133.28250	1.8
134.03781	2.7
135.04543	31.3
135.08170	87.0
136.08531	5.7
138.01953	2.2
142.02722	2.0
143.03473	2.5
145.02988	14.7
153.09221	32.2
154.09573	2.9
161.02461	20.4
161.04587	5.7
161.05959	1.8
163.04012	30.0
179.03600	13.4
179.05846	4.2
179.07137	100.0
180.07457	5.1
197.08197	84.2
198.08588	3.3
229.12155	1.7
233.78058	2.0
253.09254	40.2
308.52942	1.7
354.54343	1.8
425.14587	15.4
426.14902	2.9
433.16962	46.8
434.17273	8.3
441.14005	23.5
442.14340	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	433.2
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15630	18.1
59.01378	84.9
64.07105	15.4
69.50411	100.0
70.34264	15.4
71.01385	26.4
75.00889	18.6
78.95879	15.4
81.03406	15.3
83.05035	18.2
88.37010	16.0
89.02447	16.7
119.95869	16.4
135.08116	17.0
149.42247	15.5
152.99564	17.2
164.67580	14.6
192.60667	16.8
197.11810	46.7
223.97235	16.4
277.58551	14.6
388.81415	14.6
433.11053	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	433.208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83578	0.9
57.03445	1.5
58.00592	1.2
59.01382	100.0
60.01735	1.1
61.98818	1.0
71.01384	14.6
71.31292	1.3
71.31666	1.5
72.01690	1.0
72.64368	1.0
73.02954	4.9
83.01373	2.2
83.05009	1.0
85.02949	6.5
87.00854	1.2
89.02443	12.4
95.01377	1.2
96.40201	0.9
99.00871	2.2
101.02440	10.8
109.02971	1.1
113.02458	5.8
119.03484	4.5
119.05013	1.1
145.02858	1.0
151.00392	1.0
161.04599	3.5
165.01781	1.1
178.99715	1.4
179.05711	1.6
224.73689	1.1
227.03436	1.1
243.03023	2.2
253.14348	1.2
255.02975	3.3
271.02518	8.5
271.05185	1.2
271.18997	1.4
300.02774	12.5
301.03464	6.9
313.05557	2.6
313.15619	1.0
386.71262	1.0
406.16513	1.2
433.07712	6.5
433.20520	6.0
433.24860	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.5
59.01386	100.0
60.01719	1.7
69.42233	1.2
69.42638	3.5
71.01417	1.3
73.02958	1.4
83.01402	0.7
85.02995	0.9
89.02467	0.6
100.16293	0.5
101.02474	1.9
109.99172	0.5
113.02482	0.8
133.46361	0.5
151.00337	0.9
161.04578	0.8
191.99147	0.5
197.11995	0.6
227.06944	0.6
271.06247	1.7
331.17773	0.6
433.24567	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01701	1.1
65.70177	0.6
68.03172	0.5
68.07278	0.5
69.22086	3.9
69.22491	0.8
71.01393	1.0
73.02962	0.7
93.89399	0.5
94.10588	0.5
161.04668	0.7
227.71683	0.6
229.48293	0.7
315.29340	0.6
318.25705	0.5
319.08630	0.6
331.17853	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01711	1.9
69.31615	5.6
71.01390	6.3
72.93477	0.8
73.02955	7.8
74.55698	0.9
83.01390	2.3
89.02419	1.9
92.70450	0.8
101.02454	8.4
102.36562	0.9
113.02440	4.0
119.03513	1.5
143.03511	0.8
149.04552	2.3
161.04550	2.9
223.56819	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.1
59.01382	100.0
60.01713	0.9
69.25864	4.7
69.73167	0.5
71.01382	10.4
71.60357	0.6
73.02961	2.0
77.05709	0.5
83.01405	1.0
85.02959	3.5
85.29418	0.5
87.04548	0.5
89.02451	7.8
95.01385	0.8
99.00871	0.8
101.02444	6.3
113.02466	4.1
117.93826	0.5
118.62392	0.6
119.03529	3.6
128.76114	0.6
143.03636	0.6
161.04608	3.2
172.51401	0.5
179.05707	0.7
188.64310	0.5
213.25562	0.5
215.57793	0.6
253.05006	0.8
271.19199	1.3
277.39359	0.5
296.30096	0.5
319.36966	0.5
329.57809	0.5
331.17856	1.6
433.24893	5.6
434.25317	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2363
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
50.83334	0.4
69.20085	2.1
69.20525	1.8
72.40944	0.4
74.22153	0.4
76.29821	0.4
78.95913	55.6
96.96973	6.4
96.97529	0.6
106.25966	0.5
112.91193	0.5
150.98024	1.8
152.99605	100.0
153.99928	1.6
171.00641	5.0
258.77591	0.5
279.23367	1.0
433.23605	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	433.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95434	0.7
55.01873	2.5
57.03440	2.7
58.00598	4.0
59.01385	100.0
60.01704	1.8
61.98811	1.1
67.76631	0.9
69.40099	5.6
71.01388	78.4
72.01732	1.5
72.99300	4.4
73.02951	9.1
74.98952	0.8
75.00866	2.5
83.01387	5.6
85.02956	20.2
87.00873	4.4
87.04529	4.6
89.02452	73.3
90.02800	1.6
95.01395	4.8
97.03004	0.9
99.00887	3.4
101.02449	46.5
113.02460	34.5
113.59209	0.8
119.03516	33.6
119.04971	1.5
120.03873	1.3
125.02467	1.6
131.03516	2.8
137.31929	0.9
143.03496	6.6
145.02954	1.3
149.04539	2.8
159.02943	2.0
159.10226	1.3
161.04570	18.3
179.05647	10.2
179.07079	1.6
189.12743	1.6
190.13095	0.8
193.01297	1.4
195.13824	1.1
197.08154	1.1
197.11832	1.1
201.14825	0.9
253.09280	1.4
264.52707	0.9
271.19180	6.9
313.07187	2.5
321.15588	1.4
345.18414	1.2
363.20068	1.2
387.20328	5.8
433.24698	26.4
434.24698	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	433.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.7
57.03444	3.5
58.00581	4.2
59.01386	100.0
60.01707	2.2
60.27598	1.4
70.82487	3.0
71.01385	84.9
72.99304	3.0
73.02957	12.0
75.57848	1.5
83.01390	6.3
83.65430	1.3
85.02966	22.0
87.00888	5.4
87.04519	5.9
89.02451	64.4
95.01406	4.4
96.22719	1.5
99.00907	6.0
101.02451	47.7
102.02792	1.5
113.02462	34.8
119.03517	29.9
125.02478	2.0
131.03548	3.0
143.03517	6.9
149.04581	2.8
159.03035	2.6
159.10265	4.6
161.04570	23.7
174.78793	1.7
179.05701	11.6
201.14986	2.5
250.59016	1.4
266.60815	1.7
271.19223	7.9
321.15588	7.3
345.19235	4.2
363.20276	3.9
433.18799	3.4
433.24509	52.5
434.25104	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	433.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85810	0.8
55.01883	2.7
57.03443	2.5
58.00598	4.3
59.01385	100.0
59.84404	0.9
60.01728	1.2
64.05952	1.0
69.03471	1.2
69.20581	0.9
71.01387	80.6
71.05032	0.9
71.31316	1.1
72.99305	6.3
73.02961	5.8
75.00877	1.1
81.03439	0.9
82.07680	0.8
83.01405	3.6
85.02958	18.7
87.00896	4.8
87.04518	2.7
89.02452	82.5
90.02783	1.6
93.03509	0.9
95.01384	5.2
96.06069	0.9
98.05117	0.9
99.00895	2.3
99.43833	0.8
101.02450	44.7
113.02459	30.7
115.04074	1.2
119.03513	29.6
119.04901	1.2
125.02492	1.1
126.01978	1.6
131.03535	3.1
140.51154	1.0
143.03526	6.7
145.02937	1.4
149.04538	2.0
157.08733	1.6
159.03027	1.5
161.04573	12.1
179.05637	11.7
183.13921	2.2
200.94429	1.0
201.11359	1.2
201.95416	0.9
202.37981	0.9
203.94527	0.8
241.05186	1.5
253.14467	1.5
271.19131	2.7
285.03809	1.2
286.04288	1.1
287.04672	1.7
297.04163	1.1
300.06146	1.0
315.08713	2.9
321.15714	1.0
327.08719	4.4
359.20657	1.9
369.59091	1.0
415.23346	1.3
433.25146	10.7
433.30991	1.5
434.24976	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73667	1.2
55.01875	2.1
57.03454	1.9
58.00587	1.7
59.01383	100.0
59.08438	0.9
60.01715	1.8
68.19053	0.9
71.01389	37.8
71.05038	1.2
72.99314	1.8
73.02958	6.8
83.01411	2.7
85.02959	13.9
87.00904	2.2
87.04513	1.7
89.02451	24.8
95.01415	3.0
98.21675	1.3
99.00916	2.3
101.02452	25.4
113.02469	16.5
119.03519	12.2
131.03548	1.3
133.81520	0.9
143.03528	1.9
159.03041	2.2
161.04565	11.1
179.05640	4.2
210.28525	1.2
270.41675	1.0
271.19180	5.5
310.02728	1.0
353.67334	1.2
373.18640	1.4
433.24509	32.0
434.24973	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.0
57.03448	2.2
58.00597	4.7
59.01384	100.0
60.01709	1.4
61.98835	0.8
69.28268	5.1
71.01389	74.9
72.01743	1.0
72.99310	5.4
73.02946	8.9
73.34817	0.6
75.00889	1.5
83.01391	5.2
84.02197	0.7
85.02961	17.5
87.00880	4.2
87.04536	2.3
89.02452	69.3
90.02773	0.8
91.14413	0.6
94.48594	0.6
95.01388	5.2
97.02988	1.2
98.21780	1.2
99.00907	2.8
101.02450	44.1
102.02824	1.1
113.02463	30.2
114.02766	0.7
119.03513	29.6
120.03853	0.8
125.02500	1.0
131.03505	3.8
143.03506	5.8
145.03043	1.1
149.04604	2.1
159.03072	1.2
161.04556	15.3
162.04982	0.7
165.85051	0.6
179.05632	12.1
179.07146	0.8
209.15382	0.8
245.36972	0.6
271.19141	6.5
271.21359	0.6
309.67020	0.6
348.25174	0.6
395.19803	0.8
433.24689	21.2
434.24976	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27267	0.8
59.01384	100.0
60.01724	0.8
69.26595	2.9
69.27018	4.3
75.46405	0.8
78.95911	1.0
91.03966	1.2
98.22497	1.8
98.27650	1.0
103.25519	0.9
147.79367	0.9
152.99623	1.3
235.52840	0.9
288.35327	0.9
299.25931	2.4
433.27060	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98450	1.2
59.01387	100.0
78.95905	2.4
82.93618	1.1
98.22591	2.7
115.83741	1.2
127.49231	1.3
152.99580	3.6
228.89482	1.2
299.25949	3.0
331.36664	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	434.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	11.9
59.01383	53.6
61.98838	13.6
63.44984	6.3
71.01397	58.8
71.27876	10.6
71.75596	5.9
73.02967	8.2
78.13534	7.3
83.05012	8.2
85.02970	13.6
88.27777	5.9
89.02453	25.6
95.01382	9.0
96.00919	8.9
98.02497	26.9
99.00884	15.4
101.02444	35.0
105.22197	6.7
109.01746	11.1
110.02492	23.1
113.02489	20.9
124.00406	7.6
124.04012	6.5
125.01220	18.9
126.01976	23.4
151.02812	8.1
152.03578	28.0
158.08148	6.6
161.04533	14.2
163.07837	6.0
179.05656	9.8
181.08708	20.3
183.29472	8.8
200.44258	6.7
228.08746	9.7
244.08224	8.2
259.08237	43.5
272.07779	100.0
296.30563	6.1
314.08844	9.2
333.74094	6.8
374.11087	7.4
391.12497	28.9
434.13071	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	434.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	17.5
63.69516	0.9
70.71371	2.3
71.01389	11.8
72.99309	1.7
73.02967	2.0
82.03025	4.8
83.01400	1.0
85.02970	2.8
89.02462	11.1
94.02995	2.8
101.02454	6.3
107.05031	1.1
109.01692	3.5
110.02488	30.0
111.00891	17.3
111.02797	1.2
113.02478	4.3
119.03505	6.1
122.06104	1.3
124.04060	6.2
128.03552	100.0
129.03891	2.7
134.06137	2.1
136.04031	8.1
137.47763	1.1
139.04042	3.0
139.07642	1.0
140.04393	1.4
142.05125	2.7
150.01978	0.9
150.05641	3.8
155.02284	1.4
161.04523	1.1
178.05081	8.7
179.05579	1.6
196.06129	1.5
210.07680	1.1
222.04095	8.0
240.05183	2.3
254.06676	21.2
255.07056	1.5
356.73111	0.8
434.13220	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	434.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26610	2.2
59.01384	100.0
60.01718	8.4
61.01807	3.0
61.98836	55.7
65.43556	2.2
70.95651	3.6
71.01387	14.8
73.02953	7.5
83.01421	3.1
85.02949	5.1
85.24448	2.1
87.00937	2.4
87.04510	4.0
88.71819	2.1
89.02448	4.7
90.10407	2.3
97.06625	2.3
101.02444	6.9
113.02467	5.8
116.44995	2.1
122.06181	2.7
125.09699	2.5
145.02957	3.8
150.05669	4.3
161.04607	3.3
197.11919	2.7
219.47180	2.4
229.08812	3.5
237.15013	4.2
238.53192	2.1
255.06721	3.8
255.16092	10.5
258.06134	2.6
272.15897	8.5
273.17136	18.4
435.21848	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	434.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26610	2.2
59.01384	100.0
60.01718	8.4
61.01807	3.0
61.98836	55.7
65.43556	2.2
70.95651	3.6
71.01387	14.8
73.02953	7.5
83.01421	3.1
85.02949	5.1
85.24448	2.1
87.00937	2.4
87.04510	4.0
88.71819	2.1
89.02448	4.7
90.10407	2.3
97.06625	2.3
101.02444	6.9
113.02467	5.8
116.44995	2.1
122.06181	2.7
125.09699	2.5
145.02957	3.8
150.05669	4.3
161.04607	3.3
197.11919	2.7
219.47180	2.4
229.08812	3.5
237.15013	4.2
238.53192	2.1
255.06721	3.8
255.16092	10.5
258.06134	2.6
272.15897	8.5
273.17136	18.4
435.21848	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	434.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37540	1.7
55.01868	2.3
59.01385	100.0
60.01725	11.5
61.01796	5.7
61.98837	26.3
71.01390	56.4
71.01744	1.0
71.28589	1.8
71.28963	3.2
71.48014	1.7
72.01722	8.4
72.99321	1.9
73.02945	7.1
77.80521	1.8
80.19272	1.5
83.01414	3.8
85.02950	13.4
86.03292	3.2
87.00887	3.6
89.02454	44.8
90.02778	6.7
95.01382	3.5
97.02916	1.9
99.00903	3.4
101.02460	29.4
102.02771	5.3
103.17596	1.6
113.02455	20.5
114.02818	4.2
119.03500	16.4
120.03815	3.9
131.03503	2.6
133.36034	1.8
143.03477	3.7
149.04591	2.4
155.10777	1.8
159.03070	2.3
161.04558	9.2
162.04915	3.5
179.05605	5.1
264.73047	1.6
272.19504	3.6
301.03015	2.6
434.25037	20.2
435.22556	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	434.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01708	9.2
61.01803	5.6
61.98833	72.8
71.01376	26.1
71.31236	2.9
72.99271	4.6
73.02943	7.5
85.02944	10.6
87.00902	3.5
87.73104	3.4
89.02465	19.2
101.02434	17.5
113.02444	11.9
116.92872	7.1
119.03530	9.9
122.28354	3.0
124.87737	3.1
139.39154	2.8
155.10777	7.9
155.19762	2.9
229.08734	4.6
255.16090	3.7
273.17139	4.0
305.17841	7.2
348.58215	3.4
402.88828	3.4
434.25360	4.5
435.13095	5.5
435.22220	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	7.7
62.13519	1.5
63.83318	1.7
69.45390	9.2
71.01386	13.1
76.21143	1.9
78.91563	1.7
78.95872	1.7
85.02967	2.7
90.97138	7.8
97.02954	8.8
99.00886	2.3
101.02473	1.8
110.02458	2.8
118.96649	10.1
128.03554	4.0
129.03854	2.1
146.96155	10.3
155.00223	1.8
167.17068	1.5
168.98126	2.8
170.99785	10.4
173.01340	4.1
186.99203	2.4
197.01314	5.7
198.99281	6.4
213.00853	6.9
215.02411	2.2
225.00739	2.7
231.01846	2.2
239.02277	2.2
261.71640	1.8
289.05893	3.1
297.02994	4.0
315.03998	100.0
316.04282	6.1
375.06152	80.4
376.06320	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	435.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.8
57.03450	2.4
59.01383	100.0
60.01717	0.9
61.98836	1.2
69.03458	1.0
69.31065	1.7
69.31467	4.7
71.01386	26.7
73.02946	6.4
78.19270	0.7
81.03477	1.1
83.01413	2.3
85.02966	9.1
87.00880	1.7
89.02447	13.9
95.01409	1.7
97.02965	1.3
98.21758	1.5
99.00909	3.1
101.02448	15.1
108.02187	1.0
113.02456	12.9
113.03162	1.0
119.03511	3.2
119.21012	0.7
125.02440	5.1
131.03508	6.3
132.04597	1.4
138.05676	1.0
139.04060	1.2
143.03488	1.0
148.04146	1.3
149.04616	3.9
161.04573	1.3
167.03592	0.8
173.04594	2.8
176.03552	1.2
179.05693	1.5
190.05116	1.1
191.05699	2.2
215.05617	5.6
229.08842	1.7
231.16118	2.3
233.06667	6.2
234.04338	0.8
234.06865	1.1
252.05286	1.4
255.06685	1.3
375.16367	1.3
375.20474	2.7
393.17288	1.1
393.21381	3.9
435.13275	1.2
435.22064	16.0
436.22614	1.8
441.96768	0.9
447.86084	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2028
Annotation	Griffithine
Peak:m/z	Relative Intensity
52.50100	0.7
57.03435	1.2
59.01384	6.4
65.03967	0.8
70.09632	0.8
71.01381	1.6
80.02689	0.8
81.03465	3.9
83.05034	6.9
93.03472	1.4
95.05019	10.0
97.02933	1.2
97.06600	15.4
100.76933	0.7
106.04225	0.9
107.05029	2.9
108.02171	3.0
109.02955	2.2
109.06603	2.1
111.04535	1.1
119.05021	1.8
119.08666	2.8
121.02976	5.3
122.03721	1.0
123.08185	2.0
125.06095	1.8
125.09743	13.0
133.06573	0.8
135.04552	1.2
135.08160	4.9
137.09741	0.8
143.07121	1.0
145.06593	2.0
147.08168	12.3
147.11806	1.1
149.09740	1.0
161.06136	1.3
163.04039	0.9
163.07663	8.7
163.11295	2.6
165.01826	1.0
165.09137	1.4
171.10368	0.9
173.09796	1.1
175.11214	2.3
177.09285	0.8
181.08751	7.9
189.09119	0.9
191.07147	5.5
191.10800	5.0
192.11066	0.7
193.12329	1.5
205.12302	0.9
209.08171	2.8
209.11853	15.9
210.12175	1.3
215.10780	0.9
219.10263	4.6
219.13623	0.9
223.13354	0.8
237.11401	3.8
245.19019	1.3
255.17590	1.7
265.10678	1.0
268.08292	3.6
271.16989	3.4
273.18607	2.4
281.15509	1.5
289.18118	5.1
293.13940	1.5
297.15097	2.3
299.16516	6.2
300.16953	0.8
311.15036	2.9
315.16125	3.7
317.17609	9.5
325.14429	1.4
333.17078	2.1
343.15402	4.0
361.16675	1.4
391.21307	7.1
407.20773	7.3
417.19165	20.9
418.19687	2.2
435.20239	100.0
436.20633	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	436.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	10.8
61.98831	51.6
69.05153	2.0
71.01382	7.0
71.02522	4.3
73.02985	2.6
85.02966	5.3
87.00896	3.2
89.02510	2.2
93.03534	2.1
95.01419	2.4
95.05038	4.1
95.13139	1.9
99.00922	5.5
101.02491	3.4
105.03464	19.1
111.00922	3.6
113.02440	12.1
115.93332	2.0
121.02946	2.1
123.04549	6.0
132.02179	13.6
133.02971	100.0
134.03636	4.8
135.04555	5.3
137.02489	6.8
139.03978	3.3
145.02982	3.1
147.04552	2.6
158.03719	4.8
158.07335	2.6
159.04478	4.5
160.01680	21.2
161.02487	13.4
171.04550	2.6
172.05327	9.1
173.06064	3.7
175.04109	3.5
175.07613	2.5
177.01942	35.8
178.02744	8.4
179.03516	7.1
183.04608	2.6
185.09711	2.4
186.06894	6.6
187.07675	21.9
189.05551	2.6
200.04863	6.5
200.08163	2.0
201.05678	5.0
201.09238	9.2
202.06200	2.7
213.09224	4.7
215.07138	35.1
227.03387	3.5
229.08774	18.1
230.09438	4.0
231.06664	4.6
231.10336	4.4
245.04663	4.1
256.07343	8.3
257.08234	10.6
267.67157	2.0
273.07770	5.1
274.08304	3.1
317.10358	2.5
323.67712	2.3
340.08093	2.9
436.09717	27.9
436.19867	3.0
437.10214	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	436.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57400	0.9
55.01879	1.7
55.28321	0.9
57.03448	2.1
59.01384	23.8
61.18606	1.0
61.98816	1.7
62.18054	1.2
69.06535	7.8
69.06942	2.3
70.02959	1.4
71.01384	19.1
72.99308	1.2
73.02938	4.3
81.03457	2.5
82.02995	2.9
83.01392	6.7
85.02955	26.4
87.00871	3.0
89.02451	6.0
91.05536	1.7
93.03469	1.5
94.02978	8.2
95.01371	1.5
96.00935	2.1
97.02969	1.9
98.02488	20.7
99.00882	1.3
101.02458	5.5
106.26137	1.0
109.01717	2.3
109.02943	4.5
110.02516	8.0
111.00851	1.1
111.03261	4.3
113.02457	11.2
115.45028	1.1
116.05083	5.3
117.03461	6.0
118.02995	1.0
118.06626	6.6
119.03477	1.7
119.05009	4.1
123.63206	1.0
124.00388	1.4
124.04024	1.2
125.01185	2.6
125.02486	1.7
126.01980	23.4
129.01942	1.4
132.97508	1.0
133.02960	5.2
134.03683	1.1
135.04536	2.1
137.01245	1.8
137.02464	1.9
138.01991	5.3
139.02773	2.8
140.03552	2.8
141.07089	1.3
142.50826	1.0
145.02975	11.7
146.06065	5.7
147.04539	3.0
153.04324	1.7
156.08185	3.4
157.06593	1.1
158.03754	3.2
159.04509	2.3
159.08142	2.4
161.02486	8.7
161.06081	1.4
163.02739	2.9
163.04016	5.1
164.07167	1.2
168.02884	1.3
169.06607	1.5
172.05324	3.0
173.05981	1.9
173.94908	1.1
174.05652	8.3
174.06967	1.9
178.02698	1.3
179.03566	2.5
183.04541	2.0
184.07684	10.7
185.06111	7.1
186.05605	4.4
186.09273	1.3
187.03958	2.5
187.07652	20.5
197.06184	1.2
199.03947	1.7
200.04805	1.8
200.07175	3.6
201.05701	1.4
201.09039	1.4
202.06177	0.9
202.06805	1.1
202.08775	10.2
203.10851	1.2
212.07181	8.5
213.05670	1.6
213.09242	8.3
215.07137	12.1
226.08696	2.5
228.06549	5.4
228.10202	1.1
229.07085	1.4
229.08972	1.3
230.08203	26.6
231.06602	2.4
231.10339	11.1
244.06186	1.3
244.09778	5.5
246.07686	6.4
254.08206	3.9
257.08188	14.0
258.07831	1.6
265.07138	1.4
272.09253	2.9
273.07602	1.3
274.07230	100.0
275.07190	7.7
288.08868	5.4
299.09216	7.3
307.08325	2.5
316.08255	7.9
317.10245	4.5
323.07663	1.7
328.08261	3.2
340.08157	2.8
347.11359	1.3
349.87607	1.2
376.10376	1.3
377.12292	3.2
393.11880	2.1
402.13806	1.1
436.12790	4.4
437.14465	4.1
437.23608	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	436.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12054	24.2
50.85931	28.2
69.56236	100.0
69.56647	46.5
98.21878	38.2
102.48759	25.0
112.34677	22.0
135.15407	22.6
165.97377	21.5
167.62607	23.5
169.77328	24.6
362.11380	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	437.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.6
57.03460	2.0
59.01378	5.4
59.47047	1.0
60.19758	1.1
69.03456	1.5
69.78475	6.7
71.01394	6.7
71.04981	1.2
73.02951	2.2
74.04385	1.0
81.03460	3.9
83.01409	3.6
83.05060	1.2
85.02959	21.8
87.00893	1.4
88.80068	1.0
89.02397	1.2
92.71548	1.0
93.03467	4.9
95.05116	0.9
95.52466	1.1
96.00158	1.0
97.02988	2.0
99.00886	2.0
99.04559	5.4
99.48922	1.0
101.02462	8.3
109.02950	1.5
109.61171	1.0
111.00896	19.1
113.02446	7.1
117.03476	26.2
119.05040	84.3
120.05382	3.6
121.02946	2.7
125.02507	2.2
127.03997	6.2
129.01959	38.9
131.05038	2.1
132.05791	2.8
133.06615	6.7
139.04013	1.7
145.02972	80.6
146.03278	4.7
147.04495	1.2
151.04063	1.3
159.04541	4.7
161.06102	14.5
163.04022	100.0
164.04390	4.8
177.05620	8.7
187.04025	33.6
187.07587	6.1
188.04382	1.7
191.07184	1.3
205.05077	20.3
206.05385	1.3
215.07088	2.6
217.05000	1.7
231.06575	1.6
231.10229	1.4
235.06119	3.8
247.06180	1.1
257.08109	2.1
265.07147	6.2
273.06183	2.5
307.08313	3.4
325.09348	2.3
393.11850	2.1
437.10950	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	437.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.9
57.03442	4.2
57.04158	1.1
59.01389	9.2
64.12598	0.9
67.01885	1.2
69.03461	1.5
71.01388	14.9
73.02939	3.5
81.03465	2.5
83.01366	3.4
85.02471	2.0
85.02957	31.2
87.00890	2.6
89.02444	5.1
93.03445	3.0
95.01398	1.4
97.02919	1.3
98.47248	1.1
99.04516	1.8
101.02450	9.1
111.00899	8.0
113.02460	32.9
117.03478	19.1
119.05037	59.3
119.33615	1.2
120.05406	1.9
121.02988	1.5
123.04493	1.7
125.02415	1.6
127.04014	2.7
129.01950	21.5
132.05801	1.4
133.02969	12.9
133.06575	5.0
135.04552	5.3
143.10767	1.5
145.02966	84.8
146.03270	3.7
146.49547	1.1
149.04605	1.4
158.03616	1.2
159.04509	3.6
161.02461	25.1
161.04594	3.7
161.06071	10.4
162.03015	1.3
163.04022	100.0
164.04407	3.4
167.95023	1.2
173.06120	1.4
177.05603	5.9
179.03554	2.2
187.04019	18.1
187.07599	4.8
191.07109	1.6
205.05064	14.3
205.95909	1.2
213.05574	1.3
215.07082	3.1
229.24417	1.4
231.10182	2.6
235.06155	3.9
257.08142	2.8
265.07135	4.4
267.08151	1.3
273.06146	1.3
299.09222	2.3
305.16098	3.4
307.08151	2.9
323.07700	3.8
325.09204	2.0
393.11963	5.9
437.10452	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	437.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	19.6
69.03452	13.4
71.01389	42.5
71.27530	8.6
72.99290	4.4
85.02952	13.2
87.00883	8.6
89.02441	7.8
101.02450	12.8
113.02463	100.0
114.02810	4.9
119.03514	10.6
127.04015	6.9
128.03542	6.4
130.08746	41.1
145.06267	5.6
183.39821	5.7
185.01117	4.3
202.31638	5.8
242.42114	4.3
298.43970	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	437.1458
Annotation	Cichorioside J
Peak:m/z	Relative Intensity
53.53952	1.3
54.35123	1.6
54.46292	1.3
56.19872	1.3
57.03436	1.7
59.01385	33.2
64.14704	1.3
69.18611	3.4
69.19006	9.9
71.01384	18.8
72.99311	1.7
73.02938	3.2
81.62886	1.3
83.01399	4.1
85.02950	9.2
89.02464	11.1
93.03445	1.6
99.00894	2.2
101.02448	8.7
105.03495	3.3
109.02965	6.3
111.00894	3.0
113.02463	19.1
117.03459	2.3
119.03540	3.7
119.05038	4.0
121.02962	2.4
123.04478	1.6
132.02173	2.5
133.02977	26.2
134.03769	7.7
135.04547	8.3
136.01717	3.0
137.02466	5.8
145.02968	9.4
146.03659	1.9
149.06104	2.2
150.03284	2.3
158.03780	6.0
159.04533	7.9
159.08112	1.5
160.01675	7.9
161.02470	28.0
162.02902	1.4
163.04056	5.4
167.83278	1.5
168.21910	1.4
172.05309	16.4
173.06078	7.7
174.03242	3.3
175.04036	3.9
176.04817	4.2
177.01941	5.0
178.02711	8.9
178.04868	3.2
179.03468	8.6
183.04530	7.0
184.05109	2.0
185.06091	2.6
186.03189	2.3
187.04010	6.7
187.07661	100.0
188.08037	6.7
189.05598	7.6
199.03957	6.4
200.04800	15.5
201.05644	8.5
201.09111	2.8
202.02737	4.1
202.06348	6.3
203.03456	4.8
203.10738	2.7
204.04272	2.5
205.08621	2.1
211.07675	1.8
213.05542	4.5
213.09204	20.5
215.07127	35.1
216.07617	2.7
220.03763	2.3
227.03546	5.9
228.04289	6.0
229.08754	7.4
231.06682	21.9
231.10239	34.3
232.07013	2.4
245.04649	4.2
251.05583	1.8
257.08209	73.8
258.08499	5.7
273.07715	14.1
273.10739	2.7
275.09274	17.0
280.05737	1.9
299.09308	16.7
303.08728	2.9
317.10349	12.3
323.08029	1.6
333.09875	6.6
340.07959	13.9
347.11310	5.4
377.12457	6.7
378.12549	1.6
393.11865	9.5
437.14639	9.8
437.23761	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.0
63.36790	1.9
69.03930	15.6
71.01374	6.7
73.02932	2.2
77.03960	2.3
85.02948	3.2
87.00883	1.6
93.03445	1.8
95.01396	3.4
95.05050	3.5
97.02909	2.0
99.00877	5.5
101.02453	6.1
105.03487	13.7
109.02972	2.0
111.00867	2.4
113.02450	13.2
114.79102	1.4
121.02969	4.9
123.04527	2.3
132.02187	8.2
133.02968	100.0
134.03775	29.1
135.04538	14.9
137.02451	19.1
139.04022	8.4
145.02951	2.5
147.04550	2.3
148.05313	3.2
149.02451	1.8
149.06081	1.5
150.03223	6.2
159.04437	2.7
160.01645	14.4
161.02448	29.6
161.04625	1.6
161.06067	3.6
162.03210	4.1
174.03235	2.8
175.03981	5.9
176.04840	9.7
177.01930	42.7
177.05525	4.3
178.02724	37.4
178.04866	2.7
179.03474	14.6
187.07608	2.6
191.03578	1.8
194.02267	3.2
202.02678	7.9
203.03476	6.6
213.09187	2.4
216.02594	1.4
220.03801	23.9
221.04446	5.6
231.10272	1.8
250.04759	7.1
257.08301	6.2
275.09219	8.7
280.05832	5.6
281.06665	3.1
299.09338	2.5
305.94269	1.8
317.10361	4.3
340.07983	33.2
341.08386	2.0
377.12689	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.0
63.42276	1.4
69.30980	4.4
69.31406	7.6
71.01374	5.9
71.36883	1.3
73.02940	2.0
77.03958	1.6
78.55933	1.4
85.02953	6.1
87.00863	1.4
87.18809	1.6
89.02473	2.1
89.04009	1.4
90.76163	1.3
93.03467	2.2
95.01415	2.2
95.05022	3.5
98.21849	2.8
99.00877	4.7
101.02435	4.4
104.97690	1.2
105.03474	12.2
108.02241	1.5
109.02934	2.6
113.02459	14.6
121.02953	5.1
123.04494	2.0
132.02161	6.9
133.02969	100.0
134.03769	27.5
135.04541	11.9
137.02443	21.9
139.04019	5.4
143.07454	1.3
147.04605	1.8
148.05302	2.4
149.02438	2.3
149.06055	1.5
150.03218	5.5
154.70180	1.6
159.03008	1.4
159.04510	2.8
160.01668	9.5
161.02455	25.0
161.05972	1.6
162.03166	3.0
163.03990	3.4
165.01839	1.9
175.04053	3.9
176.04799	10.6
177.01945	48.5
177.05519	2.5
178.02730	48.4
178.04730	2.9
179.03505	14.8
179.96255	1.4
187.07600	2.7
189.05507	2.8
194.02284	1.7
202.02711	4.1
203.03438	4.3
203.10823	1.9
215.07181	1.4
218.05855	1.6
220.03795	28.3
221.04462	3.8
231.06451	2.2
231.10202	5.7
250.04773	9.5
251.05569	3.2
257.08054	4.0
275.09302	10.9
280.05911	10.8
281.06613	3.4
317.10239	4.8
340.07996	20.7
347.11118	1.4
397.03842	1.7
435.64890	1.5
438.11481	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1583
Annotation	Ugonin N
Peak:m/z	Relative Intensity
56.78878	8.1
57.03461	9.4
59.01384	57.9
61.98830	17.1
64.60786	7.3
70.15192	27.0
71.01393	50.8
73.02948	10.3
78.95888	8.9
85.02960	50.4
87.00887	12.3
89.02459	25.0
94.92519	13.6
96.96032	10.1
99.00846	7.6
101.02480	18.8
110.98573	8.2
113.02457	94.2
113.07702	8.8
117.03469	10.4
119.03572	9.1
119.05042	18.3
121.02960	15.8
133.02983	49.6
134.03740	17.8
135.04529	24.7
145.02959	23.4
148.96420	7.1
157.08742	8.2
161.02469	100.0
161.04547	16.7
163.04076	10.8
167.03523	12.6
168.54218	8.0
177.05586	7.0
178.02699	7.9
179.03555	12.6
179.05634	9.0
180.04367	9.3
193.05052	18.5
195.06645	17.5
250.73672	7.2
261.12234	7.4
303.09726	13.7
323.07935	11.1
437.11005	13.4
437.16095	88.2
438.16122	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	437.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	6.3
57.03452	8.0
58.00593	2.0
59.01385	39.9
61.98837	1.9
69.03466	2.6
69.27651	3.7
69.28082	3.7
71.01387	100.0
71.05027	3.3
72.01735	1.6
72.99316	2.2
73.02953	30.7
74.00776	0.8
75.00885	2.0
75.71694	0.8
83.01396	14.2
85.02958	48.1
87.00886	3.7
89.02458	22.6
89.02917	0.8
95.01397	7.1
97.02966	4.5
99.00891	15.6
101.02452	62.7
111.00900	2.9
113.02459	58.8
113.24406	0.9
114.02776	1.1
117.03493	2.1
119.03528	3.0
119.05072	1.6
125.02441	4.8
129.01944	3.1
131.03526	3.9
133.02956	8.1
135.04541	3.9
143.03543	5.5
143.10774	8.7
145.02971	8.1
149.04555	3.7
159.02998	9.0
159.04332	1.3
161.02525	17.7
161.04567	51.5
162.02867	1.0
162.04958	1.6
163.04031	3.7
179.03497	3.1
191.05595	1.2
203.03484	1.0
233.06654	1.4
293.08768	1.9
305.16068	78.7
306.16483	6.5
323.07813	2.5
397.22949	1.0
437.20294	11.6
460.54633	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	5.5
55.14613	0.7
57.03450	7.3
58.00601	2.8
59.01383	46.5
64.03852	0.6
69.03453	2.2
69.28769	4.2
71.01386	100.0
72.01750	1.0
72.99310	2.2
73.02950	28.6
75.00883	1.3
75.85275	0.7
81.03463	1.8
83.01393	11.7
85.02959	42.6
85.06611	4.2
85.07069	0.8
87.00883	2.7
89.02452	29.0
95.01398	5.9
97.02972	4.7
98.21718	0.9
99.00891	11.3
99.04523	0.8
101.02448	58.3
110.02522	1.1
111.00854	1.0
113.02459	60.5
114.02781	1.1
119.03521	3.5
125.02467	7.0
125.09731	0.9
129.01938	1.6
131.03522	5.5
132.02171	1.0
133.02968	8.5
135.04532	3.5
141.09259	1.9
143.03526	5.2
143.10794	15.6
145.02951	0.8
149.04613	4.8
159.03001	9.0
161.02499	26.6
161.04562	55.9
162.04979	1.2
179.03546	3.1
191.05684	2.1
203.03401	0.7
204.46590	0.8
205.03563	1.2
214.08792	1.3
227.12881	1.2
233.06696	2.1
258.07825	1.0
293.08844	2.0
305.16068	63.7
306.16360	4.6
323.07758	3.0
437.11200	1.1
437.20230	11.2
438.20712	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	437.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	30.4
70.46050	19.8
70.46426	19.2
71.01384	25.6
71.05025	16.4
81.39387	8.9
85.02943	21.8
88.04050	77.2
89.02429	10.3
90.97141	8.7
94.98080	16.3
98.02455	8.8
101.02459	11.5
108.01903	9.2
113.02467	52.9
114.33895	9.1
119.05119	8.2
129.05647	7.7
133.02924	15.6
146.08237	33.0
146.96100	11.2
161.02429	32.0
161.23581	7.9
198.99370	8.4
218.10342	100.0
233.03331	9.3
236.18872	9.7
317.05630	26.4
377.07611	39.5
434.07584	8.9
437.12967	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	437.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98835	3.3
71.01389	4.6
71.30783	2.6
73.02968	1.6
85.02967	6.3
87.00868	1.9
87.04524	39.1
89.02425	2.6
101.02484	4.0
101.67078	1.6
105.03436	3.9
111.00879	7.1
111.56174	1.5
113.02451	10.8
121.03042	1.6
121.94923	1.7
132.02219	4.2
133.02968	33.6
134.03352	6.3
135.04533	6.7
137.02466	4.7
140.99370	1.6
145.02927	3.6
160.01698	3.2
161.02438	16.2
161.04573	1.7
172.05330	2.8
173.06078	2.5
175.03992	2.4
177.02032	10.1
178.02750	8.2
179.03595	3.1
187.03984	1.9
187.07666	21.5
187.49161	1.7
188.07951	1.7
200.04907	2.6
201.09128	2.3
202.06319	2.6
213.09209	2.3
215.07072	8.2
216.07529	5.1
220.03766	3.2
221.04182	1.8
229.08644	3.8
230.09113	4.7
231.06581	4.6
231.10211	3.5
250.04871	2.1
257.08197	15.1
258.08368	2.7
273.07715	4.4
275.09238	2.1
317.10315	2.0
340.07883	4.1
437.10492	5.2
437.15591	2.4
437.21655	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	438.141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.8
58.00595	3.3
58.33104	1.4
59.01386	65.1
61.98832	3.1
62.11719	1.4
68.99806	1.5
69.18383	1.4
69.63156	3.0
69.63577	6.4
70.13755	1.8
71.01389	50.3
72.99320	3.3
73.02961	9.3
75.00874	2.8
76.06726	1.9
78.95893	1.3
81.02209	12.9
82.02972	2.6
83.01381	4.9
85.02960	18.7
87.00880	6.9
89.02454	32.5
91.05540	10.3
92.05069	2.5
94.02972	3.3
95.01402	3.9
96.00927	6.5
97.02955	2.5
98.02481	14.8
98.21917	2.6
98.47038	1.5
99.00906	2.6
101.02460	31.2
109.01690	1.6
110.02482	16.1
111.00909	1.6
113.02474	19.6
116.05079	5.0
117.03503	2.7
118.06628	5.2
119.03530	17.7
119.05034	18.0
121.02983	2.2
122.02480	8.0
123.03284	3.7
128.03542	14.4
128.72685	1.7
131.05031	4.8
132.02132	2.6
132.05849	3.8
133.02966	31.4
135.04538	19.9
141.70039	1.6
143.03540	4.0
143.04672	1.3
146.09773	3.0
147.04539	2.8
148.07649	2.9
149.06093	3.5
155.07368	2.2
161.02461	100.0
162.02847	2.4
163.04051	18.5
169.06631	2.1
170.09760	4.0
171.08157	15.6
172.07707	31.3
173.08101	1.9
175.04025	2.3
177.05624	4.5
179.03529	25.0
186.09267	3.0
190.08820	2.3
198.09152	1.9
202.08748	2.2
203.03508	21.3
204.10316	16.2
207.06351	1.7
214.08742	51.8
215.07135	9.7
215.09016	2.9
221.04597	4.1
232.09814	40.4
251.05652	4.5
256.09671	1.8
258.07822	7.4
277.07050	2.0
281.06705	5.9
290.08954	3.7
323.07669	2.5
341.08759	14.8
352.23260	1.8
366.15591	12.5
367.15799	1.7
394.15012	7.8
438.14120	65.6
439.12482	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.2
57.03448	1.6
58.00584	2.2
59.01382	58.5
60.01712	4.2
61.98839	8.3
65.90207	1.2
69.62638	2.7
69.63054	3.9
71.01387	48.9
72.01726	3.3
72.99303	2.9
73.02956	9.4
75.00877	4.6
81.02203	11.7
82.02982	2.7
83.01373	5.5
85.02956	20.6
87.00886	7.6
89.02451	37.8
90.02783	4.6
91.05539	6.5
93.03493	1.3
94.03025	1.7
95.01395	3.0
96.00922	4.7
97.02941	2.1
98.02507	12.5
99.00892	3.2
100.04028	2.8
101.02449	23.3
102.02822	2.9
103.35494	1.1
109.01723	2.1
109.02991	1.4
110.02489	13.8
113.02462	36.3
114.02786	3.7
117.03476	8.3
119.03536	9.9
119.05019	6.0
120.03814	1.3
122.02496	4.6
122.12980	1.0
125.02473	1.9
128.03569	9.9
129.01981	1.4
131.03516	5.0
132.02171	1.7
133.02963	17.8
134.03331	2.1
135.04550	10.0
145.02974	21.7
145.06584	2.7
147.04527	2.9
148.07701	2.6
149.04575	9.1
150.04877	1.7
161.02460	44.5
161.04605	3.8
162.02812	5.0
163.04001	6.5
164.04343	1.8
170.09732	1.9
172.07680	19.7
173.08075	1.6
177.05562	1.5
179.03525	12.9
179.05589	3.5
187.03999	3.3
191.05571	1.6
203.03564	7.5
204.10294	12.8
204.11966	1.8
205.10669	1.3
214.08746	13.8
221.04469	1.3
232.09787	15.8
233.04625	1.8
247.11877	2.5
258.07788	2.8
263.07834	1.8
281.06760	2.7
305.15967	1.5
306.16312	3.3
311.12753	1.1
323.08035	1.3
341.08768	7.6
366.15665	3.7
379.16104	3.2
394.15186	2.2
438.14102	100.0
438.20276	6.3
439.14575	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	438.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.1
59.01369	1.5
69.37762	2.2
69.38178	3.8
71.01383	3.1
78.95916	4.6
85.02976	2.9
89.02456	1.4
96.96043	1.1
96.96971	8.7
112.55370	0.8
113.02462	12.7
118.96636	1.6
119.03488	0.9
129.01971	1.8
130.08748	100.0
131.09085	3.0
135.04480	0.9
153.00404	1.0
155.03528	1.9
160.69858	0.9
167.03491	1.0
183.01498	1.5
217.00282	2.0
259.01520	0.9
297.04605	0.9
340.51566	0.8
379.03891	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	439.056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58226	1.6
58.28037	1.4
59.01384	13.0
60.76670	1.5
69.03480	1.7
70.26912	5.3
71.01389	9.9
72.99333	1.8
74.98692	1.3
78.69949	1.5
78.95903	17.3
79.95741	2.7
85.02946	3.1
88.34714	1.5
89.02449	7.0
96.96027	65.0
96.96985	27.1
101.02466	6.1
102.94884	1.9
113.02448	9.2
117.03544	1.8
119.03491	2.7
119.05055	9.3
121.02940	13.9
126.89451	1.4
131.05043	6.8
131.63600	1.5
132.05775	1.7
133.02931	2.2
134.03754	3.5
135.03494	3.5
135.04535	71.7
136.04863	3.0
138.10686	1.6
161.02458	6.2
163.04025	11.5
171.08127	5.4
177.01878	1.8
179.03511	63.3
179.05154	3.2
180.03877	1.8
191.00281	20.9
205.98969	15.1
215.07181	7.4
216.98360	3.2
217.00235	1.9
222.99281	7.9
233.01323	16.7
234.99261	24.4
236.03630	1.3
237.97986	5.3
247.98917	1.7
248.97176	15.6
249.97919	5.3
259.06149	2.2
265.00452	2.3
274.98666	3.0
277.00336	100.0
278.00626	7.1
278.98358	2.5
289.00406	1.7
341.08817	4.9
379.03442	4.8
423.02255	1.9
432.66348	1.7
439.05524	17.5
439.12607	5.9
440.05457	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81753	0.3
56.20441	0.3
59.01387	2.6
59.76279	0.3
70.56845	1.1
71.01377	1.7
78.95912	46.9
80.04986	0.4
81.58850	0.4
89.02456	1.5
96.28925	0.4
96.96065	10.5
96.96971	100.0
101.02440	0.9
113.02474	1.0
118.40814	0.4
119.03485	0.8
119.04987	0.4
139.31548	0.5
163.04016	0.5
171.08148	0.4
179.05641	1.0
217.00266	0.7
303.49066	0.4
341.10959	1.8
357.57568	0.4
367.78860	0.5
439.08340	1.1
455.28418	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.4
56.51768	0.4
59.01386	7.4
64.51310	0.4
68.64209	0.4
69.03468	0.5
71.01392	5.5
73.02941	1.1
83.01400	0.7
85.02965	2.6
88.33118	0.3
89.02457	2.5
95.01366	0.6
97.02944	0.8
99.00896	0.7
101.02454	4.3
105.03469	0.6
107.05090	0.5
109.02975	1.8
111.00897	0.9
113.02451	3.0
116.07423	0.4
117.03419	0.6
119.03531	0.5
132.02145	1.9
133.02972	39.5
134.03702	1.4
135.04543	20.3
135.05356	0.4
136.04854	0.5
137.02487	0.7
147.04613	0.4
148.05209	0.5
149.06125	1.9
161.02460	100.0
162.02788	4.8
175.03979	1.8
177.05597	3.8
178.05914	0.5
179.03514	26.3
180.03809	1.4
189.05615	0.9
191.42979	0.4
203.03529	20.8
204.03923	0.8
207.06572	0.4
221.04550	5.7
233.04530	4.1
251.05618	3.7
263.05621	0.4
281.06668	6.7
282.07095	0.7
307.17606	5.5
308.17999	0.6
323.07794	1.3
341.08801	12.9
342.09018	1.2
383.77283	0.4
439.12247	2.0
439.21844	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94198	4.0
59.01379	15.6
70.48315	13.9
71.01388	14.5
85.02949	6.4
89.02459	8.3
101.02488	10.9
113.02477	14.5
117.03448	19.7
119.05019	38.6
133.02957	18.8
133.06564	6.5
135.04546	13.6
145.02975	100.0
146.03406	4.2
159.04457	5.1
161.02441	56.2
161.06099	13.4
163.04028	33.4
165.04524	6.2
177.05457	6.7
179.03534	15.6
187.04016	45.8
188.04555	4.4
191.07144	4.5
203.03517	4.7
205.05093	11.3
235.06032	8.6
265.07324	10.1
291.26337	4.1
307.08365	5.4
325.09497	26.5
326.09827	3.8
341.09076	5.2
355.16031	4.2
369.16071	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	439.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34684	0.3
52.45192	0.3
57.13934	0.3
58.00619	0.3
59.01384	6.5
69.03453	0.4
71.01021	0.4
71.01389	4.1
71.88862	0.3
72.99320	0.3
73.02939	0.3
85.02975	1.4
88.20135	0.3
89.02442	1.7
95.01385	0.4
97.02975	0.9
101.02467	1.6
104.44474	0.3
105.03445	0.7
107.05049	0.4
109.02959	1.2
113.02470	2.5
117.03493	0.7
119.03510	0.8
119.05018	0.4
132.02188	1.6
133.02972	32.6
134.03452	1.2
135.04543	20.4
136.04860	0.6
137.02486	0.6
144.98773	0.4
145.02969	1.8
148.05338	0.5
149.06096	2.6
161.02461	100.0
162.02789	4.3
163.04034	1.0
175.04007	1.8
177.05609	4.7
179.03514	24.3
180.03860	1.5
187.07591	0.4
189.05579	0.8
190.84430	0.3
195.80579	0.3
203.03516	21.1
204.03802	1.0
207.06670	0.5
221.04561	5.1
233.04514	2.5
245.04617	0.3
250.73727	0.3
251.05598	3.6
252.05923	0.4
258.08636	0.3
263.05710	0.5
281.04205	0.2
281.06665	7.1
323.07727	1.4
341.08789	14.8
342.09183	1.1
439.12427	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.9
65.04350	0.4
69.03472	0.6
69.24559	1.8
69.24991	1.7
71.01385	5.3
73.02956	1.2
75.37049	0.4
83.01382	0.6
85.02960	3.0
89.02470	3.1
95.01389	0.7
97.02960	0.9
101.02461	3.1
105.03462	0.8
105.28784	0.4
109.02968	1.2
110.02477	0.7
111.00893	0.6
112.34645	0.4
113.02467	3.6
117.03479	1.1
123.69180	0.4
132.02190	1.6
133.02968	34.3
134.03343	1.4
135.04539	21.0
136.04874	0.6
137.02428	0.8
145.02925	0.7
149.06096	2.1
161.02460	100.0
162.02794	5.5
163.03961	0.6
166.66461	0.5
175.04007	2.2
177.05553	3.7
179.03513	21.3
180.03862	1.5
189.05579	1.1
191.05551	0.6
203.03514	20.2
204.03911	1.0
207.06657	0.9
215.09157	0.5
215.14330	0.4
221.04532	6.0
233.04506	3.3
251.05666	3.7
252.05969	0.5
281.06720	6.0
307.17493	1.6
323.07816	1.1
341.08774	15.6
342.09073	1.3
439.12433	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	439.174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	66.0
61.98830	7.5
70.39328	4.6
71.01387	40.6
72.99306	6.6
73.02955	11.2
78.95901	7.5
79.36898	4.2
83.01391	7.0
85.02958	14.8
89.02443	29.6
93.03455	5.8
95.01366	4.5
96.96021	17.5
96.96941	4.9
99.04740	5.3
101.02454	18.8
113.02459	34.5
117.03465	5.8
119.03507	11.7
119.05038	26.2
121.02961	75.3
126.90436	5.1
127.00300	4.7
133.02954	38.5
135.04553	22.2
143.07117	7.2
145.02982	8.3
161.02451	100.0
161.04547	4.5
161.06047	6.2
162.02861	4.2
163.04013	32.4
171.08174	18.8
177.05598	7.5
179.03528	30.4
179.05748	4.6
189.05569	6.7
203.03473	18.7
215.07088	23.9
217.05077	24.9
281.06659	6.0
341.08768	11.3
397.80630	4.2
438.71707	5.7
439.12439	48.8
439.17569	15.4
440.12769	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	439.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	3.3
56.72700	1.9
57.03441	2.1
59.01386	47.9
61.98831	3.0
69.20798	11.8
69.21218	3.6
71.01033	2.3
71.01390	30.9
72.99309	5.9
73.02994	2.1
73.38680	1.6
76.23100	1.9
80.96433	1.6
82.39779	2.0
83.01372	2.8
83.04998	1.7
85.02966	14.1
89.02457	21.1
90.00113	2.3
93.03434	2.9
95.01383	2.2
96.04591	2.1
96.96004	3.5
96.96930	2.1
101.02455	17.4
110.02427	1.8
113.02454	27.1
117.03468	1.9
119.03571	9.5
119.05040	41.2
119.05893	1.4
121.02962	13.8
131.05017	8.0
132.05800	8.9
133.02965	32.8
135.04526	18.5
145.02988	2.1
149.06027	2.9
149.20758	1.8
156.05827	2.3
161.02460	68.7
162.02776	6.2
163.04024	44.3
170.07436	2.3
171.08176	34.0
172.08559	2.9
179.03510	17.8
180.03728	1.8
181.64333	1.9
185.06274	2.5
203.03493	13.4
215.07169	30.8
215.09059	3.2
221.04474	4.3
247.23518	2.2
251.05620	3.0
259.06116	2.3
277.07108	6.1
281.06769	4.2
341.08856	13.0
439.12381	100.0
439.17059	5.3
440.12701	14.9
440.20535	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	439.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11782	3.2
54.14115	3.4
54.41764	3.1
59.01386	69.3
60.01717	3.5
61.28046	3.7
61.98803	5.2
71.01387	41.9
71.28090	5.1
71.46915	3.4
72.99298	4.6
83.01369	6.4
85.02936	18.2
89.02460	39.0
92.67400	3.4
96.96033	8.2
99.00901	4.1
99.23878	3.7
101.02453	19.8
113.02466	38.0
117.03484	4.4
119.03505	11.8
119.05041	31.5
121.02164	6.9
121.02971	84.2
131.05032	10.9
132.05804	4.5
133.02954	34.4
135.04524	29.3
156.05815	5.7
161.02463	100.0
161.04491	4.9
162.02794	7.1
163.04034	44.2
167.03482	4.4
171.08145	28.6
179.03510	21.2
179.05576	9.6
181.05064	9.9
185.06152	4.1
203.03522	20.2
215.07158	25.2
251.05426	6.6
277.07401	3.9
281.06677	6.9
341.08658	15.7
379.19760	6.5
439.12317	69.0
439.17114	6.0
440.12646	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	440.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52798	0.8
57.03452	16.8
59.01385	8.7
66.48530	0.8
69.03464	1.0
69.62398	5.3
71.01383	4.6
71.05025	48.6
73.02942	1.4
81.05620	0.8
83.05014	1.0
84.08160	1.0
85.02959	2.5
89.02445	1.6
96.08189	2.5
97.06617	1.7
101.02449	2.2
111.08183	3.0
113.02426	1.1
113.06112	5.0
114.09250	4.3
125.09718	2.2
129.09241	1.0
131.07153	2.3
133.02937	3.5
135.04561	1.7
143.10796	48.5
144.11081	1.5
148.05431	1.3
161.02457	3.4
162.02824	1.1
165.12892	1.7
167.14430	52.6
168.14720	2.7
179.03531	0.9
185.11838	31.2
186.12192	1.8
210.15042	1.1
211.13411	65.3
212.13759	4.0
226.18166	1.8
228.16081	4.3
229.14456	100.0
230.14760	6.2
241.18489	0.9
253.73430	0.9
254.17618	7.4
263.20157	1.0
272.18677	51.4
273.19019	4.0
281.21307	11.7
282.21585	1.1
283.19437	0.9
299.22333	4.6
325.20209	12.0
326.20154	0.8
326.23422	16.2
327.23764	1.1
362.08743	0.9
422.29248	5.4
440.30237	67.0
441.14447	2.1
441.24945	23.5
441.30634	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	440.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67913	1.2
57.03185	1.2
57.03450	16.3
59.01367	3.9
62.14645	1.2
69.03468	1.2
71.05029	45.4
79.06996	1.3
85.06567	1.4
97.06586	1.8
98.21790	5.0
109.06441	1.2
110.79070	1.4
111.08163	4.3
113.06100	4.4
114.09236	5.3
125.09737	1.9
128.20427	1.2
131.07161	1.6
133.02977	3.5
135.04520	2.4
143.10793	47.6
143.11934	2.8
144.11166	1.7
156.77399	1.1
161.02475	2.9
162.02785	1.8
165.12833	1.4
167.12993	2.7
167.14424	55.9
168.14764	3.2
179.03448	1.6
185.11842	33.1
186.12189	1.7
188.21469	1.6
210.15167	1.6
211.13422	61.6
212.13811	3.0
226.18109	2.3
227.16673	2.1
228.16034	5.1
229.14458	100.0
229.34467	1.7
230.14856	4.8
254.17621	7.6
272.18680	53.8
273.19080	3.2
281.21228	11.2
282.21643	1.6
299.22305	3.7
313.43362	1.4
325.20197	12.9
326.23471	18.9
327.23758	1.5
379.25409	1.4
422.29193	5.5
423.29370	1.3
440.30222	61.2
441.30450	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	440.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47858	2.0
57.03453	7.5
57.96267	1.9
59.01369	4.9
61.98840	3.1
71.05031	14.9
71.29516	4.2
84.04551	3.1
85.06594	17.0
86.02508	3.0
87.08170	2.4
100.04047	3.1
102.05616	5.6
110.06134	19.8
113.06115	14.2
114.05624	6.0
128.07216	4.1
130.08763	3.6
131.07153	71.6
133.02975	8.0
135.04518	4.8
147.16176	1.9
148.05295	2.2
154.08836	10.4
156.10271	7.3
161.02444	7.4
162.02786	3.3
167.14427	60.1
168.14761	4.0
172.09789	5.1
174.11359	49.1
179.03606	2.6
179.69008	2.3
211.13419	65.8
212.13745	4.6
227.16417	2.2
229.14447	62.9
230.14851	6.4
237.18661	2.7
241.18114	79.2
242.18501	7.6
247.17340	2.6
265.18060	18.8
267.19852	2.8
270.20816	4.4
281.21115	6.8
283.19177	60.5
284.19528	5.2
299.22244	2.9
301.67398	2.2
308.22354	10.2
308.75604	2.7
309.22803	2.7
325.20166	11.3
326.23410	21.1
396.38797	2.1
396.44601	2.4
422.29037	6.9
440.30203	100.0
441.30774	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	441.1405
Annotation	Hymenoside P
Peak:m/z	Relative Intensity
50.06703	0.7
59.01382	8.3
70.71776	1.8
71.01390	5.2
71.70930	0.8
75.96564	0.7
85.02957	2.5
89.02453	2.8
101.02440	2.4
106.06475	0.8
109.02936	0.9
113.02441	4.6
117.03473	9.2
119.05027	6.3
121.02987	1.8
125.14787	0.8
132.02158	2.4
133.02971	35.4
134.03818	7.1
135.04538	19.3
137.02455	4.8
139.03999	2.2
145.02954	30.4
146.03313	1.7
151.21710	0.8
158.03638	0.8
159.04517	1.1
161.02452	100.0
161.06055	2.3
162.02814	4.8
163.02968	0.8
163.04053	7.0
177.05598	1.5
178.02702	2.0
179.02043	1.6
179.03502	19.0
187.04004	10.2
192.94717	1.0
203.03542	9.8
205.05074	3.3
217.08694	1.2
221.04675	1.8
233.04541	1.2
251.05620	2.6
265.07138	1.9
281.06738	2.9
307.08081	0.9
325.09274	4.3
341.08746	10.6
370.03174	0.8
441.14005	39.4
442.14252	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	441.1406
Annotation	Hymenoside P
Peak:m/z	Relative Intensity
50.55336	0.9
57.03436	1.1
59.01382	13.1
63.73999	0.9
64.85683	0.8
69.37988	4.5
71.01385	9.5
73.02932	2.2
81.03434	2.7
83.05005	2.8
85.02940	3.5
87.48085	0.8
89.02456	6.1
90.70897	0.8
98.21854	1.7
99.04533	1.7
101.02470	5.8
107.04999	2.5
109.02940	2.0
113.02432	4.7
117.03447	2.9
119.03467	2.4
119.05034	1.8
125.02416	1.9
125.06048	0.8
127.04012	1.4
132.02121	1.8
133.02968	30.1
134.03775	7.7
135.04536	100.0
136.04878	3.9
137.02429	2.3
139.03925	0.9
143.81544	0.8
145.02966	4.2
152.74632	0.8
159.04503	0.8
161.02452	76.0
161.04533	2.0
162.02753	4.1
163.04002	2.3
164.21162	0.8
165.09219	1.1
175.11267	2.7
177.05524	1.0
179.03505	41.2
180.03807	1.9
187.03946	1.3
201.09190	1.8
202.10010	10.4
204.03860	0.9
205.05019	1.9
217.12376	13.9
218.12743	1.2
235.13368	2.3
237.58368	0.8
249.13322	2.5
249.45975	0.9
263.09283	1.0
291.41550	0.9
369.59399	0.8
441.13885	84.5
442.14212	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	441.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
57.03435	4.4
59.01384	32.3
61.98819	1.5
63.24744	1.0
69.03473	1.7
69.53644	6.8
71.01386	21.7
72.99307	1.8
73.02937	1.7
81.03425	1.4
83.01386	1.5
83.05031	28.5
84.02190	1.1
85.02955	4.6
89.02448	23.3
95.01395	3.0
97.02959	3.4
99.00934	1.3
99.04491	1.9
101.02442	10.9
104.94425	1.1
107.05009	1.2
109.02970	8.3
113.02474	10.0
119.03496	12.1
120.05859	1.3
125.02460	51.6
125.06080	4.3
127.04021	21.6
131.03458	1.4
133.02983	2.9
135.04536	4.4
135.08179	10.6
136.05295	1.8
138.06941	1.6
145.02983	1.6
151.07578	2.7
153.09235	1.4
159.08194	1.8
160.08966	1.9
161.02440	8.5
161.04523	2.2
161.06012	1.5
165.09232	2.1
173.06075	2.1
173.09731	3.2
175.11307	17.5
176.11607	2.1
179.03482	3.6
179.05595	3.0
187.07619	4.1
189.12917	3.0
196.42630	1.2
199.11288	2.2
201.09245	6.3
202.10016	93.0
203.10406	7.1
205.09868	1.2
215.10857	1.4
217.12347	100.0
218.12666	6.0
219.13918	3.0
235.13390	17.4
248.58852	1.4
259.13251	1.5
261.11438	1.4
277.14508	4.2
330.32202	1.3
339.68027	1.4
397.18658	1.9
441.18488	8.9
442.17145	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	441.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65926	0.3
55.01891	0.5
57.03445	0.7
59.01383	100.0
60.01720	1.2
62.68499	0.4
69.03451	0.4
69.13524	3.1
71.01385	7.8
73.02962	2.5
83.01411	1.3
85.02954	4.0
85.30853	0.3
87.00888	0.4
89.02454	0.6
95.01424	0.8
99.00908	1.2
101.02446	5.5
101.03014	0.4
105.03501	1.2
106.03849	0.4
109.03036	0.3
113.02460	2.9
133.02968	6.0
134.03403	2.7
135.04567	2.4
136.04904	0.8
137.02484	1.3
138.02855	0.3
148.05339	3.7
149.05609	2.2
159.03032	0.8
160.01630	0.4
161.02493	3.3
161.04546	4.0
162.02887	1.0
167.14369	1.6
177.01968	1.3
178.02454	0.9
179.03516	1.5
191.03539	0.5
211.13434	2.5
229.14395	1.6
258.60904	0.3
272.18829	0.5
279.08759	0.7
280.09256	1.2
307.20929	0.3
381.23071	0.5
399.23877	6.1
400.24539	0.6
441.13828	4.6
442.31741	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	442.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	7.9
59.01382	78.7
61.98814	3.9
69.03445	3.3
71.01386	26.2
71.31409	5.1
71.31762	4.2
73.02937	14.6
73.22758	3.4
74.40166	3.3
81.03463	7.8
83.01377	20.0
83.05020	5.2
84.90892	3.5
85.02949	17.4
89.02455	13.1
91.04008	21.7
93.03476	6.5
95.05028	7.3
97.02939	10.1
97.06631	4.6
101.02448	21.5
107.05066	5.5
109.02990	5.7
109.06588	45.7
113.02455	5.8
119.05037	7.9
121.06573	5.6
123.08150	4.0
125.06109	3.5
131.72636	3.2
133.02963	10.8
133.06624	3.9
135.04512	9.4
135.08157	7.0
136.07654	4.1
137.02455	5.6
149.06084	6.3
149.09650	4.4
151.07631	8.6
157.05023	7.7
159.06639	7.5
159.08115	4.6
161.02470	8.0
161.04663	7.3
161.09718	44.1
162.10181	3.8
163.11314	20.2
164.08379	5.0
175.06149	4.3
177.07722	28.8
177.09163	5.6
181.12469	4.6
183.10268	3.2
189.09180	5.0
191.05637	9.7
193.08664	5.3
193.15958	3.2
195.10399	3.4
203.14397	11.3
205.08714	38.8
206.48528	3.7
207.10266	100.0
221.11856	3.6
223.09616	5.5
225.11354	31.8
239.12894	6.0
247.13399	14.9
253.09271	4.7
265.14566	15.1
321.34933	3.4
339.18073	8.8
365.15936	6.2
383.17081	16.9
442.14276	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	442.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	7.9
59.01382	78.7
61.98814	3.9
69.03445	3.3
71.01386	26.2
71.31409	5.1
71.31762	4.2
73.02937	14.6
73.22758	3.4
74.40166	3.3
81.03463	7.8
83.01377	20.0
83.05020	5.2
84.90892	3.5
85.02949	17.4
89.02455	13.1
91.04008	21.7
93.03476	6.5
95.05028	7.3
97.02939	10.1
97.06631	4.6
101.02448	21.5
107.05066	5.5
109.02990	5.7
109.06588	45.7
113.02455	5.8
119.05037	7.9
121.06573	5.6
123.08150	4.0
125.06109	3.5
131.72636	3.2
133.02963	10.8
133.06624	3.9
135.04512	9.4
135.08157	7.0
136.07654	4.1
137.02455	5.6
149.06084	6.3
149.09650	4.4
151.07631	8.6
157.05023	7.7
159.06639	7.5
159.08115	4.6
161.02470	8.0
161.04663	7.3
161.09718	44.1
162.10181	3.8
163.11314	20.2
164.08379	5.0
175.06149	4.3
177.07722	28.8
177.09163	5.6
181.12469	4.6
183.10268	3.2
189.09180	5.0
191.05637	9.7
193.08664	5.3
193.15958	3.2
195.10399	3.4
203.14397	11.3
205.08714	38.8
206.48528	3.7
207.10266	100.0
221.11856	3.6
223.09616	5.5
225.11354	31.8
239.12894	6.0
247.13399	14.9
253.09271	4.7
265.14566	15.1
321.34933	3.4
339.18073	8.8
365.15936	6.2
383.17081	16.9
442.14276	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	442.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42595	9.3
59.01381	37.3
61.98832	45.1
70.46640	8.5
71.01386	33.2
71.30805	12.0
81.03487	8.3
85.02966	13.5
86.68089	8.2
99.00881	10.8
102.31542	9.5
102.98655	9.5
103.71273	9.4
105.03481	20.3
113.02517	9.8
115.00351	8.4
115.07671	9.1
115.27769	10.1
120.44924	8.6
133.02965	100.0
134.03271	44.0
135.03491	9.0
135.04524	43.8
137.02469	19.1
145.02960	16.1
148.05334	63.9
149.05627	30.6
150.05882	19.1
161.02473	37.9
162.02737	18.3
175.68039	10.3
177.01938	24.0
178.02394	15.8
191.05632	9.3
193.03802	9.2
215.07135	12.0
221.04411	9.5
229.08696	16.5
269.73364	9.6
281.09241	9.8
327.21793	18.3
400.15381	12.3
401.21680	10.8
442.14053	69.9
442.31851	25.1
443.22775	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	442.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	41.8
61.98837	5.4
63.24321	3.6
71.01389	14.4
71.31661	5.8
77.47754	3.4
81.06307	3.5
85.02959	5.2
86.25790	3.4
87.00886	5.3
89.02461	4.9
95.05015	5.9
101.02445	6.8
105.03477	12.5
113.02435	5.7
113.18674	3.8
121.02934	4.4
132.02228	6.5
133.02963	100.0
134.03192	7.0
135.03586	4.5
135.04536	11.5
136.04852	5.5
137.02461	11.0
139.04060	4.1
148.05318	9.2
160.01631	8.5
161.02531	19.0
161.04541	7.5
162.02811	10.0
177.01953	23.1
178.02654	11.2
179.03500	9.3
180.03784	4.1
191.05536	6.7
194.25470	3.8
215.07216	5.7
229.08617	5.9
246.74545	3.4
317.51529	3.8
399.23972	7.7
399.68613	4.1
442.14526	38.8
459.96594	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	442.245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	82.8
61.98830	23.5
67.10069	9.4
68.98781	23.3
68.99182	100.0
71.01368	17.2
85.79720	9.0
87.00895	10.2
88.02406	9.9
89.02444	17.0
101.02446	16.0
113.02465	14.8
133.02971	93.4
134.03288	49.1
135.03595	12.0
135.04564	44.4
136.04919	13.1
137.02480	32.2
143.51839	9.4
145.02986	16.3
148.05301	45.9
149.05684	15.8
161.02464	37.6
177.01953	25.0
178.02425	12.0
179.03506	14.1
180.03798	11.6
191.05630	28.5
200.08331	13.5
204.31897	10.2
229.08466	11.0
230.05585	12.5
281.09555	13.9
291.35925	13.1
329.73755	11.2
346.10568	11.3
382.14267	13.5
442.14365	47.6
443.23282	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	443.141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95906	2.0
52.39925	2.0
57.03451	8.7
58.00617	2.2
59.01389	45.2
70.08860	1.7
71.01388	33.4
71.27306	1.8
71.27683	3.0
72.21870	1.8
72.99330	3.0
73.02988	3.1
83.01447	2.3
85.02953	6.1
86.16775	2.0
89.02455	45.9
89.02964	3.8
95.01392	2.7
101.02452	100.0
103.93719	1.9
113.02455	14.8
119.03520	19.4
119.05045	4.0
121.02973	3.8
131.03537	4.2
143.03496	3.6
161.04550	3.8
163.04024	2.9
179.05621	26.0
180.25119	1.9
228.41408	2.2
292.76352	2.0
303.30914	2.0
341.10916	82.3
342.11227	6.2
346.30319	2.3
468.92041	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70234	1.8
56.01249	2.0
57.03443	4.4
58.00603	2.0
59.01386	84.3
61.36806	1.8
61.74734	1.8
61.98831	2.8
63.93897	1.6
69.07462	15.7
69.07864	3.2
70.50221	1.8
71.01385	43.4
72.99320	27.0
73.02944	18.6
75.80448	2.0
75.86394	1.8
83.01413	5.7
83.05034	2.9
85.02961	12.9
87.00901	3.2
89.02451	28.7
89.02960	2.6
92.57912	2.1
95.01393	4.1
95.05042	8.3
97.06612	4.4
99.00887	2.6
101.02449	34.0
109.02988	2.6
109.06599	6.6
113.02469	16.9
113.06081	6.0
119.03533	12.3
119.05032	9.6
121.02951	3.2
123.04607	4.3
131.03546	2.6
133.02948	31.6
134.03789	17.2
135.04544	11.4
135.08119	2.3
136.05266	2.5
137.02446	3.7
139.04037	6.9
139.57584	1.8
141.05592	2.6
145.02965	6.7
145.06604	2.2
149.06107	10.4
151.07680	10.8
153.09227	2.6
161.02469	100.0
161.04593	8.8
161.09724	2.5
162.02815	2.6
163.04042	3.2
163.07675	8.6
169.08682	2.2
178.02737	7.6
179.03510	7.4
179.05626	2.9
179.10800	19.2
185.09651	1.9
189.09267	2.2
191.10814	5.9
193.05054	24.4
201.12819	9.3
203.10857	12.6
204.11591	11.5
212.66287	1.9
219.06685	14.4
219.13898	29.2
220.14374	1.8
221.11835	26.2
237.11308	1.9
239.10538	2.1
249.06049	3.6
263.05621	5.8
263.12872	20.0
281.13672	2.5
425.14435	2.3
443.15381	54.9
444.15906	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	443.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94225	0.6
55.01865	2.4
57.03452	1.4
58.00578	0.9
59.01385	41.8
60.27559	0.6
69.16528	6.8
71.01388	25.6
72.99294	1.5
73.02979	3.9
83.01388	2.9
85.02962	8.3
87.00858	1.1
89.02450	18.8
95.01398	2.5
96.52943	0.7
99.00888	1.0
101.02451	18.2
108.02877	0.8
111.04528	1.1
113.02465	10.8
119.03529	7.6
121.02950	1.3
131.03398	1.0
143.03491	0.9
161.04474	1.5
166.58122	0.8
189.12823	1.7
219.13882	1.3
237.14848	1.2
272.74265	0.7
443.19257	100.0
444.19611	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	443.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59813	0.4
59.95691	0.5
70.60916	1.0
74.81894	0.5
74.99094	0.9
81.36021	0.5
95.52256	0.4
97.74522	0.5
107.76160	0.5
159.08479	2.3
161.06369	1.2
217.07259	0.8
261.04532	0.5
277.07529	1.7
326.73151	0.5
345.13898	0.6
357.13953	2.0
359.15363	100.0
360.15479	13.7
377.16498	0.9
412.54620	0.5
425.20197	0.7
427.21628	50.7
428.21783	8.6
443.24792	9.0
443.30261	0.9
444.25159	1.2
461.50488	0.6
461.95673	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	4.0
58.00578	3.3
59.01382	72.5
60.01723	5.4
61.98831	7.2
69.55865	21.7
71.01391	46.6
72.01715	4.8
72.78436	3.7
73.02943	6.0
74.68793	2.8
78.95919	3.6
80.91637	3.3
85.02951	12.3
87.00847	3.5
89.02451	40.2
93.95072	3.6
101.02450	26.6
102.02811	5.2
113.02445	20.8
114.02730	3.2
116.92848	4.0
119.03496	13.6
120.03905	4.6
121.02968	37.5
122.03284	9.0
138.05595	5.3
145.02928	6.8
150.00204	5.8
161.02443	8.3
161.04570	7.4
163.07562	5.0
179.05649	8.8
221.11821	6.6
247.81541	3.4
279.93799	3.3
444.13928	6.6
444.19620	100.0
445.13770	5.6
445.19879	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	444.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	100.0
64.48830	17.7
70.94629	32.8
70.94970	21.3
71.01388	32.1
77.29081	18.1
81.26788	17.0
85.02966	28.4
101.02508	21.9
108.02081	19.2
121.02961	23.7
145.84976	17.1
167.33896	18.2
172.04005	16.8
209.11818	24.3
242.76190	18.7
357.10062	23.4
402.22046	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	445.12
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	46.7
68.99171	28.4
68.99591	14.0
71.01383	6.9
75.00893	7.7
85.02984	3.7
98.22591	6.7
98.23357	3.6
103.00381	100.0
104.03539	6.4
332.73740	4.0
387.13916	12.5
445.09796	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	50.0
68.36933	2.6
69.52555	16.6
75.00866	10.2
103.00382	100.0
104.03547	5.1
115.36468	2.3
203.14410	2.5
210.01173	2.8
214.33980	2.8
251.05734	2.9
299.65118	2.7
387.14124	3.2
407.81027	2.5
467.83560	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	445.1374
Annotation	10-Acetoxymajoroside
Peak:m/z	Relative Intensity
55.01851	1.2
57.03444	1.5
58.00583	1.0
59.01381	76.1
59.51999	0.7
61.98822	1.2
69.03439	1.2
69.44655	3.2
69.45081	2.6
71.01025	1.3
71.01383	16.6
72.99315	1.4
73.02963	4.9
83.01379	3.1
83.05016	0.8
84.00918	5.5
85.02950	6.4
87.00867	3.8
89.02464	8.2
93.03452	5.3
95.01411	1.2
97.02956	1.1
97.06635	0.9
99.00892	1.6
101.02456	8.3
111.00832	1.2
111.04517	2.2
113.02461	6.4
117.03488	1.4
119.03501	3.0
119.04989	0.9
125.02465	1.6
127.05136	2.7
128.03552	1.2
130.06543	0.8
131.03481	1.0
139.11229	1.0
143.03537	1.1
145.02956	7.5
145.06165	2.6
157.07690	1.0
159.02943	0.9
161.04559	4.9
163.11348	1.4
165.05573	1.2
170.07185	1.2
172.08821	19.1
173.07291	1.0
173.08904	1.1
179.10715	0.9
191.05632	1.3
196.08821	0.8
198.06723	36.2
199.07068	1.5
205.12178	0.9
209.11848	21.0
210.12144	0.9
211.07498	2.4
212.08301	22.7
213.06627	1.5
213.08589	1.4
215.05569	1.9
216.07779	11.4
217.08144	0.9
219.14046	1.1
223.13411	2.7
225.07875	5.4
226.09943	0.9
227.07056	0.9
227.09280	1.7
228.07747	1.1
239.09389	2.4
240.07785	19.2
241.07314	20.9
241.11092	1.1
241.14093	0.9
253.07191	1.3
253.09421	1.8
255.08868	6.9
257.10458	2.7
258.08932	1.3
265.07260	1.5
269.10428	1.7
281.10641	1.0
283.08368	76.9
284.08676	5.4
313.12854	1.7
325.09467	0.9
377.28473	1.0
385.11575	5.1
385.18735	2.0
385.23126	1.2
403.19699	3.7
407.68872	0.9
409.14990	2.6
445.13675	100.0
445.20242	8.2
445.26047	6.7
446.13910	12.6
446.20163	1.4
465.29880	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.5
57.03453	1.9
58.00594	3.6
59.01385	86.7
69.65712	5.2
71.01390	39.9
72.99313	3.4
73.02939	4.1
75.00879	1.5
76.38468	0.9
78.31226	0.8
80.05060	2.2
83.01395	3.4
85.02961	9.4
86.00092	1.1
87.00887	3.3
89.02455	41.4
92.05076	15.2
95.01402	3.2
96.04566	17.4
99.00867	2.5
101.02456	26.6
109.06578	1.3
111.00901	1.2
113.02463	16.5
116.05079	29.1
119.03517	14.5
124.78607	1.0
131.03499	0.9
138.05614	3.5
142.06641	10.8
143.03534	2.0
151.07614	0.9
161.04594	2.2
163.11182	0.9
179.05663	5.4
179.07031	0.8
180.08110	1.5
183.02206	2.0
186.05606	1.0
194.09776	4.6
205.07744	6.1
206.08372	1.2
208.07681	1.7
209.11824	1.0
212.43237	1.0
219.09261	10.0
221.10854	57.9
222.11195	4.6
223.17853	0.8
231.43274	1.0
239.11925	13.2
241.02733	2.4
263.08112	1.5
265.09811	14.8
266.10193	1.2
267.11490	2.5
316.10406	15.3
325.11740	1.4
355.13052	1.2
361.80313	1.1
385.13956	2.0
401.17264	14.0
402.17792	1.5
445.16168	100.0
446.16470	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45655	1.0
55.01879	1.0
58.16154	0.9
59.01383	100.0
63.02721	1.0
64.54144	1.1
70.44009	3.6
71.01379	10.6
73.02940	1.6
85.02962	2.1
89.02451	16.0
99.00881	1.2
101.02472	6.3
113.02444	5.0
119.03497	6.1
143.03513	2.7
156.01930	1.0
161.04544	3.8
179.05603	5.1
192.49492	1.1
208.31438	1.0
264.28546	1.0
385.18649	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	445.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32905	0.6
55.01874	0.7
58.00591	0.7
59.01384	100.0
59.56436	0.7
60.01717	1.0
63.17551	0.6
64.13828	0.6
69.26780	3.0
69.27207	2.1
71.01384	14.1
71.01748	1.1
73.02956	1.1
83.01433	0.8
85.02988	2.5
87.00883	0.6
89.02448	24.9
101.02445	8.7
107.92213	0.6
108.51033	0.7
113.02460	7.9
119.03524	9.5
122.03809	0.6
131.03522	1.1
143.03557	1.8
149.04688	0.9
152.03543	3.3
153.09285	2.6
156.34462	0.6
161.04550	3.4
179.05600	5.0
205.12410	1.8
223.13617	1.0
235.53535	0.6
308.31421	0.6
357.84726	0.7
445.07764	1.2
445.20535	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77937	0.7
58.00598	0.8
59.01385	100.0
69.31593	1.4
69.31996	3.9
71.01389	24.4
72.99348	0.9
85.02982	2.9
87.00894	1.1
89.02454	41.3
95.01428	2.1
101.02450	9.4
111.73020	0.6
113.02458	8.9
113.03194	1.1
119.03519	16.7
131.03552	1.9
143.03554	2.8
149.04602	1.2
161.04619	4.0
179.05638	11.6
288.77606	0.8
346.97507	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
57.03451	3.4
57.34454	0.6
58.96040	0.6
59.01385	100.0
60.01723	1.1
63.46018	0.6
71.01391	20.6
71.45261	0.6
73.02953	6.1
83.01410	2.3
85.02960	10.6
85.03419	1.0
89.02458	4.2
95.01392	1.7
99.00906	2.3
101.02454	12.0
113.02463	10.9
113.06114	1.5
119.03568	1.7
137.09795	0.8
143.03575	1.4
150.85071	0.7
153.09258	2.4
159.03043	2.8
161.04576	16.0
165.09254	2.0
166.19106	0.6
187.11351	1.6
205.12456	2.8
223.13431	14.1
229.30136	0.8
261.82141	0.7
385.19006	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13865	0.6
53.05183	0.6
58.00601	1.0
59.01386	100.0
60.01712	0.9
61.98823	0.6
69.03439	0.9
69.14509	1.0
69.14912	5.1
71.01394	11.8
72.99319	1.1
73.02967	2.6
83.01410	1.5
83.05055	0.9
85.02941	3.3
87.00897	2.2
89.02462	11.7
89.35806	0.6
99.00928	0.8
99.04597	0.6
101.02464	8.2
111.00853	0.7
113.02460	5.6
118.98133	0.7
119.03497	6.0
131.03546	0.9
135.04645	0.7
143.03584	1.6
145.02959	0.7
153.09200	1.0
161.04550	3.1
163.11395	1.3
165.05644	1.5
179.05630	3.7
187.11357	2.1
191.05608	1.1
191.10822	0.8
197.11798	0.7
198.06773	0.8
199.50337	0.7
205.12354	1.8
209.11855	29.7
210.12285	1.5
212.08368	0.8
233.11981	1.0
236.27486	0.6
253.09256	3.3
279.06720	0.9
283.08575	2.0
283.15549	1.9
295.10458	0.7
309.11200	0.7
327.12582	0.8
328.66666	0.7
339.12601	1.6
372.97729	0.7
385.18903	1.8
403.19769	0.7
445.13907	2.9
445.20801	3.4
445.26035	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41934	2.9
59.01378	5.2
59.11367	2.2
65.49776	2.8
71.27821	4.0
78.95901	23.7
86.30422	2.2
94.47334	2.4
95.60406	2.8
107.15348	2.5
110.98528	14.1
118.97095	2.5
160.89290	3.3
165.09198	4.6
167.01138	17.0
195.56229	2.5
209.08218	36.2
222.41580	2.6
253.33707	2.9
277.21759	100.0
278.22095	10.6
286.88272	2.5
296.81555	2.8
445.23184	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01411	26.3
64.01277	25.7
67.74223	19.9
69.54840	83.2
69.55254	49.9
69.72366	23.6
117.12925	23.5
135.04451	20.6
154.44591	22.1
219.12791	22.1
375.50369	20.5
445.22391	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	445.2961
Annotation	Abeohyousterone
Peak:m/z	Relative Intensity
57.98980	0.8
70.99212	2.2
80.49459	0.8
86.85504	0.9
92.70300	0.8
95.03105	0.8
96.23978	0.8
113.02736	0.8
117.03487	12.7
119.05046	5.6
125.22076	0.9
126.73455	0.8
145.02968	100.0
146.03304	4.0
163.03992	3.6
202.78404	1.0
223.07237	1.1
265.12320	0.9
271.73273	1.1
288.68936	1.0
299.25906	8.5
337.96652	0.9
427.28442	2.4
445.29584	26.4
446.30011	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	446.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04103	2.7
59.01390	19.7
65.51508	1.7
67.03020	2.9
67.74370	2.2
71.01414	9.9
71.30594	2.2
71.31049	2.2
76.56567	2.1
81.04587	2.6
83.02521	6.3
85.02979	3.6
89.02486	7.4
92.05076	18.3
99.93668	1.9
101.02456	5.0
102.05645	5.2
109.04086	9.5
113.02429	3.9
121.02963	26.0
122.03287	9.2
126.06738	32.4
128.03540	28.3
135.05666	5.9
136.04021	3.3
138.06779	2.1
145.02963	4.6
146.03432	2.0
146.04614	7.1
147.04691	1.9
147.05632	10.6
148.04056	22.7
161.04472	2.3
167.35271	2.3
177.10341	7.2
179.05681	2.8
189.10336	10.6
195.76471	1.8
221.09323	3.7
231.12401	2.2
233.09261	13.3
253.91881	2.2
275.11545	34.4
276.11926	2.6
300.10876	2.9
317.13705	8.9
360.16754	15.5
371.51245	1.9
386.14893	4.7
387.13110	3.6
404.15790	100.0
405.16156	9.3
411.18887	2.8
428.16895	5.5
429.15210	12.8
446.18002	77.8
447.18161	7.2
452.08957	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	446.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59998	5.4
56.94880	6.9
57.03426	7.5
59.01138	6.2
59.01391	100.0
66.69502	6.1
71.01382	26.4
72.03853	6.6
73.02949	10.9
85.02968	8.5
89.02448	29.2
101.02453	22.3
109.49753	6.5
113.02475	15.6
119.03486	7.7
259.86725	7.7
446.20474	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	446.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
69.25054	4.1
71.01387	29.6
71.28921	7.1
72.99303	4.4
73.02956	7.2
78.95898	4.3
83.01406	5.7
85.02966	11.6
89.02449	31.3
96.96013	11.2
96.96981	8.7
101.02446	18.2
113.02462	15.9
119.03522	13.2
119.04971	4.2
123.04578	5.6
139.04045	4.1
143.03477	5.0
146.04636	5.6
161.04561	10.6
161.82077	5.1
174.62556	4.0
179.05595	10.9
191.05701	11.3
197.62733	4.1
218.22173	4.2
223.13571	4.4
273.07733	6.0
405.26782	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0937
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
59.01373	0.8
63.02383	0.5
65.00356	0.4
71.29522	0.2
73.83927	0.2
82.77953	0.2
83.01421	0.2
90.64671	0.2
93.03451	0.6
98.21734	0.4
103.79586	0.2
107.01376	0.8
117.03485	0.2
125.02441	0.5
132.02161	0.4
135.00883	0.6
142.26764	0.2
143.04967	0.3
151.00410	2.3
153.01929	0.6
159.04532	0.5
163.00381	0.5
167.04987	0.2
169.01483	0.3
169.06543	0.4
171.04515	0.5
173.09952	0.3
174.03151	0.4
178.99872	0.7
182.03787	0.4
183.04562	1.7
185.02428	0.4
185.06076	0.6
187.03996	0.8
189.05536	0.3
199.03867	0.3
200.04788	0.3
201.70711	0.2
211.03955	2.0
213.05464	0.5
215.03665	0.3
227.03511	80.5
228.03862	5.7
229.05083	2.0
239.03471	0.8
241.04953	0.5
255.02995	100.0
256.03558	13.5
257.04410	1.4
269.04376	0.3
284.03278	71.8
285.04001	33.0
285.07422	0.5
286.04410	2.3
299.05634	0.3
327.05249	1.1
390.16183	0.2
447.09344	97.7
448.09686	10.3
473.76642	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0934
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
56.46052	0.7
59.01383	44.6
61.98825	1.0
64.79251	0.8
69.03435	1.0
69.13776	7.6
70.69630	0.7
71.01382	13.5
72.99330	1.0
73.02935	2.6
83.01385	1.5
85.02943	4.4
87.00853	0.8
89.02451	8.6
93.03465	1.4
95.01377	1.2
99.00874	0.9
101.02463	7.5
102.39357	0.8
107.01395	2.6
113.02451	4.7
117.03511	1.8
119.03491	3.8
135.00859	1.2
139.11282	1.9
143.03549	1.0
145.02983	5.0
151.00327	3.2
159.02992	1.2
159.04396	1.1
161.04591	5.0
163.00378	2.1
179.05605	2.9
183.04446	1.3
183.10184	1.9
185.06039	2.5
187.03995	1.9
191.05653	4.6
197.06122	0.9
201.05708	0.8
207.13892	1.9
209.11620	0.9
211.04001	3.3
213.05667	1.3
227.03502	60.3
228.01910	1.0
228.03856	4.5
229.05040	7.9
230.05444	1.0
239.03450	1.8
241.05074	1.5
255.02986	97.6
256.03564	8.8
256.99377	1.0
257.04556	5.2
257.19037	1.0
284.03268	100.0
285.04022	86.4
285.07376	1.7
285.12885	1.0
286.04483	4.7
327.05307	1.5
331.17566	1.5
387.20255	3.7
388.19839	0.9
415.50916	0.8
447.09314	83.4
447.22308	13.8
448.09766	9.3
448.15912	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.3
62.96397	1.4
65.10971	0.2
66.26176	0.3
69.09158	1.5
69.09583	0.9
72.19630	0.2
76.80170	0.3
78.95913	44.7
92.42905	0.2
96.96967	2.6
98.21771	0.4
109.63129	0.2
149.00111	20.1
158.92505	2.1
179.01173	2.9
205.16005	1.4
227.03593	0.6
240.96690	0.5
255.02957	0.9
284.03397	0.8
285.04083	0.5
331.04605	0.2
347.08249	0.7
417.12509	1.2
431.10236	3.0
447.13483	100.0
448.13837	9.4
464.10233	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.7
59.01383	100.0
61.44402	0.6
69.55176	4.3
71.01376	8.0
73.02968	1.3
85.02958	1.5
87.78497	0.7
89.02451	10.6
101.02435	4.9
113.02468	4.3
119.03524	3.8
119.27169	0.7
143.03571	1.4
161.04579	5.5
167.10727	0.8
179.05688	6.1
224.77127	0.7
322.45374	0.7
380.92007	0.8
462.76501	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.0
59.01382	100.0
60.01728	0.9
61.98833	3.0
65.66769	0.5
69.69933	0.6
69.83903	0.5
71.01390	8.2
73.02954	6.7
83.01406	1.9
83.95156	0.5
85.02532	0.5
85.02954	3.2
87.00893	0.7
89.02435	3.8
100.97437	0.6
101.02445	6.0
112.05341	0.7
113.02448	6.2
119.03535	1.7
126.04830	0.6
134.07436	0.6
139.18428	0.6
143.03603	0.7
149.09735	7.9
149.81067	0.5
153.09225	4.3
161.04637	2.1
163.29732	0.5
167.10780	15.2
167.12096	0.9
168.11122	0.6
209.12021	1.0
225.15036	1.7
225.95850	0.6
243.16121	2.0
387.20517	1.5
447.22781	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.7
63.21411	0.6
69.03416	0.6
69.26641	4.7
69.27086	0.8
83.04029	0.6
85.06596	13.1
96.95990	1.0
103.13708	0.6
113.06098	0.9
127.94636	0.7
131.07155	100.0
132.07520	2.0
143.10760	0.7
145.36507	0.6
150.06740	0.6
159.10263	0.8
191.83525	0.6
227.03506	2.5
240.39777	0.9
245.13919	7.2
255.03058	2.4
284.03238	2.4
285.03989	1.2
413.12656	0.7
447.09506	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	447.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05830	0.5
54.68134	0.4
55.01894	0.5
57.03446	1.1
59.01384	100.0
60.01738	1.0
61.98835	0.9
70.58778	1.0
71.01386	11.5
72.99305	3.5
73.02957	2.0
75.00871	0.8
83.01408	1.1
85.02959	3.9
87.00884	0.9
89.02452	12.3
93.03490	1.3
95.01402	0.7
97.80826	0.5
101.02457	7.0
107.01414	0.6
111.04527	0.6
113.02462	5.7
115.16053	0.4
117.03476	22.9
119.03526	6.1
119.05027	6.7
131.03529	0.7
137.02446	0.6
139.03996	0.7
139.11311	1.0
143.03525	1.6
145.02965	78.3
151.00409	0.6
161.04575	2.6
163.04034	10.3
168.02058	0.5
173.04510	0.7
179.05609	4.1
183.10283	1.2
191.05632	11.8
225.11446	0.6
225.15019	0.7
227.03513	13.6
228.03902	1.2
229.04971	1.2
243.12411	5.3
255.03003	16.7
255.05853	0.8
256.03641	1.8
284.03302	13.7
285.03995	4.6
387.20151	1.9
409.14877	1.8
429.21503	0.9
447.09256	19.1
447.21228	4.5
447.26935	1.6
448.09830	3.2
448.16098	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	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	6.0
57.03450	4.9
58.00597	2.3
59.01382	43.8
69.03455	1.7
69.14323	5.4
71.01386	100.0
72.01737	1.2
72.99332	3.0
73.02950	28.2
75.00887	1.7
81.03474	0.6
83.01390	11.5
83.19811	0.5
85.02958	39.2
85.37814	0.6
87.00880	3.6
89.02452	29.2
95.01398	6.7
96.95461	0.7
97.02959	3.1
99.00884	13.9
101.02451	56.1
102.02796	1.0
111.00900	0.8
113.02459	37.5
114.02783	1.0
117.40929	0.6
119.03506	6.5
125.02441	4.1
129.01941	1.9
131.03511	4.6
140.66444	0.6
143.03506	6.9
149.04575	3.2
159.02997	9.6
160.03259	0.8
161.04567	80.9
162.04883	1.9
179.05617	1.3
200.90891	0.7
205.03516	1.7
219.13934	0.9
237.15004	0.7
255.02977	0.6
276.58774	0.6
284.03415	0.7
315.18127	56.0
316.18405	4.0
359.17224	0.7
393.72592	0.7
447.08932	1.0
447.21780	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	447.2243
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.01884	5.5
57.03460	5.1
58.00601	3.0
59.01387	79.8
67.01863	0.6
69.03465	2.0
69.12627	5.7
71.01390	100.0
72.01723	0.9
72.99307	5.2
73.02955	19.7
75.00890	1.5
81.03484	2.0
83.01392	11.9
85.02960	31.1
85.92242	0.6
86.00099	1.2
87.00886	6.0
87.04492	0.6
89.02456	64.5
90.02778	0.8
92.79932	0.5
93.03469	0.7
95.01410	4.0
96.95987	0.6
97.02953	4.7
98.45370	0.6
99.00893	9.9
101.02455	61.0
102.02814	0.9
104.51631	0.6
109.02979	0.6
111.00891	5.2
113.02465	27.9
114.02766	0.7
115.04035	1.1
119.03512	6.5
123.61913	0.5
125.02466	7.9
126.90507	0.5
127.04073	0.6
129.01903	1.2
131.03526	32.3
132.03905	0.9
136.28242	0.6
143.03508	5.6
149.04578	20.2
159.03032	4.4
161.04575	37.2
162.04901	1.1
191.05627	7.3
199.23576	0.6
205.03607	1.3
215.05501	0.7
227.03535	2.7
233.06654	3.9
255.03001	2.7
284.03293	2.1
293.08878	1.3
315.18158	22.9
316.18466	1.9
381.82184	0.7
447.09167	3.4
447.22314	38.4
448.22629	4.0
450.46445	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35840	0.6
52.99717	0.6
59.01374	1.2
85.06109	1.2
85.06598	14.0
86.04559	0.8
86.07003	0.6
93.90593	0.6
131.07155	100.0
132.07494	2.9
157.86159	0.6
207.96373	0.7
227.03569	1.7
229.12933	0.7
245.13976	7.9
250.63284	0.7
255.03021	1.3
284.03391	1.9
285.04083	1.8
303.83594	0.7
305.37039	0.7
314.97574	0.7
399.72751	0.8
447.09534	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	447.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61563	0.5
51.61806	0.5
59.01385	100.0
59.07314	0.5
60.01721	0.7
61.98835	1.0
68.28034	0.5
71.01381	4.0
72.97898	0.6
73.02962	1.3
74.91232	0.6
84.07735	0.5
85.02964	1.2
88.79111	0.5
89.02460	2.5
101.02436	2.9
113.02497	2.0
123.08214	2.3
137.09741	0.6
143.03593	0.6
150.37737	0.5
161.04564	3.9
162.48105	0.5
163.11362	0.9
179.05672	1.4
189.12907	2.2
207.13968	5.0
225.15005	1.1
342.42270	0.6
356.82285	0.6
387.20590	2.2
396.38239	0.6
447.22815	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81988	0.6
55.01900	0.7
59.01385	100.0
60.01728	0.8
61.98830	5.3
70.41309	0.8
70.41613	1.3
71.01391	9.9
73.02962	2.9
83.01411	0.9
85.02937	3.6
89.02457	5.8
97.27949	0.5
101.02454	6.0
103.82765	0.6
113.02454	4.5
113.36645	0.7
119.03540	2.8
128.26414	0.7
137.09756	1.5
159.02998	1.1
161.04579	6.2
179.05713	1.8
179.20454	0.6
189.12932	1.6
207.14030	1.8
225.15141	1.9
347.16187	0.7
357.19180	1.2
371.01770	0.6
387.20532	2.1
442.13986	0.6
472.18924	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	10.2
60.01720	1.2
61.98834	0.6
67.01897	0.4
70.58270	0.7
71.01385	3.2
72.99313	0.5
73.02945	0.8
83.01402	0.5
85.02956	2.4
87.00874	0.7
89.02448	1.9
89.03938	0.3
91.14674	0.2
93.03470	3.0
101.02441	1.6
111.00822	0.3
111.04536	0.5
112.59318	0.2
113.02448	0.9
117.03482	30.2
118.03811	1.2
119.03529	0.8
119.05044	7.9
120.05407	0.4
121.03000	0.4
127.03940	0.4
145.02969	100.0
146.03313	4.2
161.04546	0.3
163.04028	10.9
173.04605	2.0
179.05565	0.3
181.12419	0.2
191.05629	14.6
192.06065	0.3
227.03534	0.3
228.03845	0.4
231.10219	0.7
255.02988	0.3
256.03311	1.0
257.08224	0.6
269.17587	0.7
285.03665	0.9
286.04410	0.4
287.18561	0.3
327.29086	0.2
400.39896	0.4
448.10654	1.0
448.16168	27.0
449.16360	3.0
449.23935	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	448.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22044	0.7
59.01384	26.5
60.01719	2.9
61.98835	100.0
69.26689	4.2
71.01397	1.9
72.01735	0.8
73.02953	0.6
77.04466	0.6
89.02473	0.8
101.02445	1.4
113.02509	0.5
124.59103	0.5
125.02457	0.6
161.04620	0.8
206.12834	0.7
208.14285	1.0
259.06348	0.6
388.19965	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	74.1
60.01709	4.0
61.98838	100.0
67.95604	1.1
68.97978	4.2
68.98406	8.0
71.01396	11.0
72.99274	1.4
73.02937	3.3
83.01387	1.6
85.02960	4.4
87.00887	2.2
89.02442	10.9
93.03463	6.5
101.02449	6.4
108.67416	1.2
113.02460	3.4
119.03512	3.4
129.01802	1.2
145.02914	2.3
161.04549	4.3
169.08752	1.4
173.04561	2.6
179.05531	2.1
191.05627	25.2
257.08365	2.5
388.20654	2.6
389.21881	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	448.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	74.1
60.01709	4.0
61.98838	100.0
67.95604	1.1
68.97978	4.2
68.98406	8.0
71.01396	11.0
72.99274	1.4
73.02937	3.3
83.01387	1.6
85.02960	4.4
87.00887	2.2
89.02442	10.9
93.03463	6.5
101.02449	6.4
108.67416	1.2
113.02460	3.4
119.03512	3.4
129.01802	1.2
145.02914	2.3
161.04549	4.3
169.08752	1.4
173.04561	2.6
179.05531	2.1
191.05627	25.2
257.08365	2.5
388.20654	2.6
389.21881	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	448.183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36580	0.7
57.03447	0.8
58.46600	0.6
59.01381	24.5
60.01718	1.8
61.98833	100.0
63.50177	0.7
67.01904	0.8
70.71710	1.6
71.01385	6.4
73.02958	0.9
81.03479	0.7
85.02963	3.3
87.00875	2.0
89.02454	5.0
93.03463	4.6
101.02460	3.5
113.02476	2.4
115.92133	0.7
119.03487	1.8
119.05006	0.6
123.02156	0.6
130.82343	0.6
145.02992	1.8
157.07703	5.7
161.04642	1.1
173.04623	2.3
187.07701	1.8
191.05615	22.1
213.09273	1.0
242.13017	0.8
257.08267	2.5
275.09445	1.4
348.17267	0.7
372.15594	1.4
388.20779	1.5
435.78992	0.7
448.17075	1.7
449.14722	0.9
449.24194	1.7
453.18637	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86535	0.8
58.92499	0.8
59.01385	18.1
61.98835	100.0
66.48919	0.8
69.84177	2.3
71.01390	5.0
72.00922	1.7
73.02928	1.1
75.92408	1.0
85.02964	4.0
87.00903	1.8
89.02464	2.7
93.03465	6.3
93.34245	1.0
99.00893	1.3
101.02447	2.1
111.04520	1.2
113.02471	2.2
117.03519	1.2
117.90702	1.0
119.03490	1.3
145.02954	3.9
173.04561	3.1
187.07642	1.7
191.05626	29.8
257.08240	2.4
275.09232	1.3
449.23779	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	448.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.3
57.89082	0.5
58.98365	0.6
59.01383	33.6
59.67052	0.6
60.01720	3.2
61.98835	100.0
69.36687	3.4
69.37096	1.0
69.68311	0.5
71.01389	4.9
72.71758	0.6
72.99304	0.6
73.02953	2.2
78.95930	0.7
83.01402	0.6
85.02964	1.3
89.02454	4.4
101.02454	3.2
113.02481	3.3
119.03536	2.0
124.01714	0.7
125.02488	1.7
131.03558	0.8
145.03003	1.3
145.06297	0.6
149.09731	1.5
151.00429	0.7
153.09207	0.8
154.01480	4.3
154.09666	0.6
159.56151	0.7
161.04599	1.0
161.54651	0.6
167.10832	1.9
168.11122	1.3
169.08818	0.7
179.05687	0.7
213.46364	0.7
215.07178	0.8
249.05568	0.7
259.06149	4.9
287.05621	1.8
418.84528	0.6
449.16803	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	448.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	4.4
59.01092	5.3
59.01385	100.0
60.01700	7.6
61.98829	8.8
68.05064	3.1
68.84403	2.5
69.03476	3.2
70.59055	6.0
70.59378	2.4
71.01395	36.1
72.99342	3.2
73.02950	4.1
83.01388	4.1
85.02940	10.8
87.00894	4.7
89.01945	4.0
89.02449	41.5
95.01364	3.3
96.96027	5.1
97.06582	4.0
101.02447	27.1
110.41180	3.1
113.02457	16.0
119.03530	14.8
123.08196	5.1
149.09712	11.5
151.07692	6.8
153.09206	4.9
161.04536	12.7
162.04988	3.3
165.07462	3.0
167.10770	23.1
169.08737	23.2
176.87781	3.0
177.53026	3.2
179.05714	13.6
194.41286	3.8
213.07663	3.8
216.16174	3.3
225.14940	6.3
243.15857	3.5
255.11572	2.7
283.51785	3.0
324.20285	2.6
330.80154	2.9
339.75104	3.3
405.21326	15.5
448.60342	3.2
449.16476	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17300	1.1
57.03436	1.9
59.01383	100.0
60.01712	12.8
61.98836	41.9
69.16363	9.6
71.01392	15.6
72.01742	1.9
73.02944	3.7
82.83040	1.1
85.02943	3.6
88.82055	1.0
89.02452	9.8
90.02785	1.2
90.61165	1.0
101.02454	8.2
101.81564	1.1
102.02792	1.2
113.02459	6.0
114.02789	1.3
119.03500	4.1
161.04536	7.2
162.04913	3.8
179.05598	1.8
180.05937	1.7
202.86685	1.1
209.44283	1.2
262.92642	1.1
280.91919	1.2
355.78021	1.1
370.19928	1.3
388.20419	1.8
407.75766	1.1
445.49814	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58743	4.6
59.01384	30.3
66.28629	4.9
67.03722	4.5
71.01418	38.4
71.01766	9.4
71.41111	5.6
72.99329	9.2
78.90243	4.9
83.01449	5.6
85.02985	7.7
89.02490	7.2
90.97157	13.9
93.03522	7.0
96.58527	5.6
99.00864	9.5
113.02464	16.5
118.96639	73.5
132.98198	33.2
146.96144	9.4
150.03238	30.7
156.98271	7.2
160.97707	49.9
165.05586	54.2
170.99771	10.7
172.97687	10.2
173.04576	18.8
174.99255	14.3
182.99748	8.1
186.99274	7.9
194.99768	5.3
198.99286	15.5
202.98689	5.6
210.99222	17.5
213.07663	6.5
217.00342	100.0
220.99034	5.7
225.00716	7.8
226.98790	14.9
229.00258	29.7
241.00403	6.8
258.11353	5.3
259.01480	7.4
268.99811	22.5
271.01340	36.2
299.00980	10.8
302.77490	5.4
331.03595	29.5
331.07071	5.5
389.04184	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	449.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.9
60.99303	2.0
67.01901	7.1
69.03457	1.9
71.01395	4.1
80.06433	0.7
81.03474	0.8
83.05059	1.5
85.02963	2.8
87.00887	8.1
93.03467	41.3
94.03767	1.2
98.21670	1.4
99.00887	0.9
108.02196	3.4
109.02975	0.9
111.00951	0.7
111.04510	5.0
113.02438	1.0
121.02963	2.5
122.03770	1.3
124.01660	6.6
125.02458	4.0
126.03226	1.7
127.04036	1.6
129.01981	1.2
132.02209	1.0
133.02992	5.4
134.03757	19.5
135.04539	100.0
136.04785	3.4
137.02449	1.8
149.06157	0.9
150.03256	4.2
151.04019	16.1
155.03563	1.1
160.01668	1.6
161.02484	2.7
162.03189	0.8
167.03503	1.2
173.04572	14.7
177.02023	1.5
178.02739	1.8
179.03517	21.7
180.04309	4.0
181.05099	1.1
189.05598	0.9
191.05629	26.3
192.05965	1.6
257.08255	3.2
275.09332	2.7
290.08130	2.0
307.08255	6.4
308.05475	1.2
308.09039	24.0
308.12457	1.5
323.07782	1.2
351.07208	1.4
352.08047	12.7
353.08490	1.3
379.46786	0.7
437.58801	0.7
449.14618	3.1
449.27487	1.2
450.15128	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13765	0.4
55.50057	0.4
57.03424	0.7
59.01381	8.1
67.01891	1.8
69.03476	0.7
69.28319	2.7
71.01393	2.6
72.99326	0.7
73.02961	1.1
79.94879	0.4
81.03455	0.6
83.05026	0.8
85.02956	11.9
87.00895	4.7
89.02456	1.7
93.03465	10.0
99.04523	0.7
101.02477	1.4
109.02964	1.5
111.04523	1.7
113.02435	0.7
115.75020	0.4
119.03532	0.5
127.04037	2.2
139.08575	0.5
145.02954	0.8
149.43419	0.4
155.03471	0.7
162.07938	0.4
171.02960	0.7
172.05249	0.6
173.04564	7.4
187.03883	0.4
187.07706	3.1
191.05635	100.0
192.05933	3.9
213.09268	1.6
215.07172	0.7
231.10330	3.1
233.06682	0.7
257.08240	8.5
258.08487	0.5
269.17603	1.1
275.09302	1.2
276.72314	0.4
351.06177	0.4
418.66919	0.5
431.13437	0.9
449.14413	1.4
449.24109	10.9
450.24286	1.0
471.08069	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55477	0.7
57.03450	0.9
59.01366	1.1
60.99310	1.7
67.01904	5.3
69.03443	1.7
71.01392	3.0
76.76096	0.7
78.34178	0.7
81.03451	1.8
83.05033	1.9
85.02945	2.6
87.00893	6.6
88.60224	0.9
93.03468	35.7
94.03785	1.1
97.06622	1.2
98.22537	1.7
99.00903	1.1
103.06692	0.8
108.02183	3.0
111.04544	4.2
121.02979	1.8
124.01669	7.8
125.02440	3.6
126.03241	2.4
127.04015	1.1
129.01949	1.2
132.02220	0.9
133.02975	4.4
134.03766	18.0
135.04538	100.0
136.04951	3.1
137.02463	3.1
143.37294	0.8
150.03218	5.4
151.04018	14.7
155.03528	0.9
160.01707	1.2
161.02460	1.0
167.03503	1.1
173.04556	20.8
177.01968	1.3
178.02713	1.1
179.03505	24.3
180.04274	4.5
181.04999	1.3
181.51945	0.8
189.52525	0.8
191.05630	22.8
257.08139	3.0
275.09293	1.4
289.07532	0.8
290.07944	1.9
307.08264	7.0
308.05463	1.4
308.09030	25.1
309.09381	1.3
318.80054	0.9
323.07809	1.2
351.07224	1.6
352.07977	18.1
353.08145	1.3
426.50870	0.9
449.14389	8.3
449.27487	3.6
450.15149	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.8
58.14608	0.4
59.01373	2.9
60.99314	2.4
66.78167	0.5
67.01895	5.4
69.03438	1.6
71.01384	3.6
71.68373	0.6
73.02905	0.5
80.68066	0.5
81.03466	1.7
83.05052	1.0
83.58529	0.5
85.02957	8.6
87.00886	9.5
93.03465	40.3
94.03784	0.8
99.00919	0.7
99.04536	0.8
109.02946	1.4
111.04539	6.8
113.02463	0.6
117.03474	1.2
124.01653	1.0
125.02441	0.6
126.03258	0.5
127.04031	2.4
129.01906	0.6
132.02150	3.5
133.02957	2.2
134.03745	7.8
135.04543	17.4
137.02444	2.0
137.03523	0.5
137.04669	0.6
143.03503	0.5
150.03267	0.8
151.03989	2.2
155.03494	1.6
160.01643	9.4
161.02417	1.0
162.03235	2.2
171.02998	0.7
173.04555	30.0
174.04854	0.7
177.01929	1.4
178.02686	2.1
179.03499	3.9
187.07695	0.7
191.05617	100.0
192.05988	2.8
192.07509	0.6
213.09192	0.6
229.35001	0.6
231.10225	0.8
231.84218	0.5
257.08087	3.7
275.09210	3.6
276.09525	0.8
287.22250	0.9
307.08258	1.2
308.08871	3.8
351.07288	2.6
352.07803	2.3
449.14490	11.3
449.27527	4.7
450.15247	1.1
455.80975	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92764	1.8
59.01382	44.8
60.99330	4.6
61.98838	20.7
65.00819	2.0
67.01892	11.1
69.03450	4.0
69.18227	2.1
71.01389	11.9
71.30301	2.5
73.02948	4.1
75.00868	2.2
81.03448	3.0
85.02962	5.1
87.00887	20.0
89.02451	8.7
93.03463	100.0
94.03847	1.8
99.00933	2.6
99.04567	2.6
101.01080	2.2
101.02473	3.3
111.04531	16.0
113.02470	6.6
117.03433	2.9
119.03523	4.3
129.01918	3.3
133.02979	8.5
134.03726	11.3
135.04547	4.9
137.02422	3.5
145.02979	5.6
155.03532	3.7
161.04596	3.5
173.04568	73.2
179.05637	3.3
191.05661	18.6
231.10184	13.3
256.03473	3.4
257.03638	2.8
275.09280	19.1
285.03839	2.1
286.03952	4.3
287.05432	2.2
389.22067	4.7
408.77170	2.1
422.13474	2.3
449.09766	2.5
449.14746	34.0
449.23862	3.6
450.15375	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	449.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48879	0.6
55.52367	0.7
57.03454	1.4
59.01384	100.0
60.01730	2.2
61.01810	1.3
61.98836	24.9
71.01387	12.0
71.31641	1.4
72.99301	0.8
73.01730	0.8
73.02958	3.3
75.00827	0.7
81.03468	0.8
83.01388	1.7
83.05042	1.2
85.02956	6.1
87.00905	2.5
88.38811	0.7
89.02454	7.1
89.02954	0.7
93.03463	4.3
93.94512	0.7
95.01408	0.9
99.00933	2.1
99.04528	0.9
101.02438	8.5
111.00943	0.7
113.02447	6.7
117.03451	0.8
117.19697	0.7
117.60487	0.9
118.98159	1.6
119.03526	3.8
119.31650	0.7
127.04042	2.0
139.93718	0.8
143.03580	0.9
145.02979	1.1
159.03061	0.8
159.04495	1.0
161.04565	5.1
173.04604	1.7
179.05684	1.2
187.07777	1.9
191.05634	15.6
192.06104	1.0
242.29231	0.8
257.08362	1.8
275.09290	1.8
321.15558	1.1
389.21869	13.6
390.22437	1.4
449.24728	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2398
Annotation	Vanoxerine
Peak:m/z	Relative Intensity
53.23505	0.5
55.01884	0.6
57.03450	3.1
58.00589	0.7
59.01386	20.5
60.01717	0.5
61.98826	1.7
63.66931	0.4
67.01891	0.6
67.27154	0.4
69.03460	0.7
69.90122	2.0
70.81544	0.4
71.01385	11.5
71.05038	0.4
72.01717	0.4
72.64140	0.4
72.99305	0.9
73.02937	2.5
75.20285	0.4
77.42146	0.3
78.95930	0.4
81.95935	0.3
83.01392	1.9
83.05022	0.7
85.02958	4.8
85.06604	1.0
87.00873	2.3
87.04540	0.7
89.02455	8.4
93.03473	6.9
93.83207	0.4
95.01406	0.9
96.96067	0.5
97.02969	0.5
99.00890	0.9
101.02450	8.6
111.04542	1.1
113.02455	5.2
117.03487	4.5
118.03833	1.7
119.03498	2.2
119.05036	1.2
120.05387	0.7
125.97845	0.5
133.02985	0.6
134.03772	0.7
137.09724	0.9
143.03537	0.4
145.02969	15.4
146.03307	11.2
146.04494	0.6
153.12840	1.2
155.03519	0.4
161.02364	0.5
161.04549	0.8
163.04028	2.5
164.04337	1.2
171.10397	0.5
173.04579	5.1
181.12389	2.5
191.05627	10.0
223.17038	5.9
231.10300	1.3
239.16634	0.6
257.08170	0.8
269.17599	17.9
270.17957	1.2
275.09299	0.9
287.05606	1.1
287.18692	5.0
421.30481	0.4
449.16489	6.7
449.23926	100.0
450.17560	0.6
450.24231	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	449.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
68.08348	2.5
69.38778	5.6
69.39187	12.2
78.95895	13.7
98.21759	4.5
110.98563	11.1
127.18112	2.4
139.43823	2.4
146.01514	2.7
167.01118	5.7
270.41269	2.6
281.24884	100.0
282.25302	8.5
392.93042	2.7
449.26978	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	450.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	10.5
59.01140	3.1
59.01385	39.2
61.53184	3.0
61.98812	9.8
64.43438	2.5
65.17878	2.9
70.19453	7.4
70.19847	5.1
71.01395	14.9
83.01379	7.9
85.02955	100.0
86.03274	2.7
87.00875	5.0
89.02469	14.1
96.96014	9.9
98.02465	4.7
101.02445	9.1
110.02481	19.6
111.00919	6.5
112.04043	7.8
113.02457	7.2
118.97002	3.3
119.03507	6.8
122.89429	3.4
125.87347	7.0
129.05586	6.4
142.87614	14.0
148.91005	8.2
157.86319	8.7
161.04427	4.8
169.08640	3.4
179.05441	2.7
184.88568	5.0
196.06288	3.1
210.07756	27.2
211.50926	2.9
212.05612	3.2
228.08789	75.6
229.09016	7.2
250.94131	6.8
259.08221	7.5
285.91058	10.2
376.42191	3.6
391.12427	4.3
449.95874	10.5
451.12277	4.5
464.49698	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	450.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39378	1.0
59.01382	39.1
60.01720	5.4
61.01807	6.4
61.98834	100.0
66.07956	1.1
69.27016	8.0
71.01395	3.4
85.02924	1.4
101.02459	2.8
103.19872	1.1
113.02419	1.8
150.58736	1.1
161.04613	1.6
178.73505	1.4
308.50076	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	450.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	32.5
60.01718	3.8
61.01826	2.2
61.98838	100.0
70.63107	2.6
71.01400	10.3
73.02945	2.6
77.25044	1.2
85.02963	2.4
87.00891	2.5
89.02446	8.9
90.71272	1.4
96.96003	1.7
101.02443	6.2
102.02776	1.5
113.02477	3.7
119.03493	2.5
133.03040	1.2
135.48544	1.2
144.15639	1.3
161.04529	1.7
191.05632	1.5
285.62546	1.5
371.69006	1.4
378.57190	1.4
451.25467	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	450.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81992	1.0
56.80857	1.1
57.03440	1.9
59.01381	29.4
60.01709	2.6
61.01802	3.8
61.98835	100.0
69.82935	5.7
70.37830	1.1
71.01380	7.4
71.05025	1.5
72.01746	1.5
87.00898	1.8
89.02453	7.3
95.05063	1.4
97.06593	2.1
98.21890	1.5
99.00892	1.4
101.02443	4.9
113.02461	1.8
115.92059	1.8
118.08252	1.2
119.03509	2.5
123.08212	2.2
123.77056	1.2
124.08559	1.3
150.03239	2.9
151.07690	2.2
151.43916	1.1
152.01173	2.8
152.07959	2.4
165.05600	2.9
167.03510	5.2
169.08685	10.7
170.09056	9.5
171.10316	2.9
178.48761	1.1
195.06628	3.2
206.43381	1.5
245.08188	1.3
361.79333	1.2
363.11166	1.5
370.16293	1.3
450.16904	22.0
451.12415	1.5
451.17709	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	451.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	14.0
59.51702	3.3
69.62920	3.8
71.01395	6.0
71.27216	6.2
72.55267	3.6
89.02435	8.6
91.85226	3.7
92.92812	29.4
94.92521	22.9
101.02442	5.5
107.56645	4.3
108.90209	100.0
128.49792	3.9
132.03792	3.5
133.72562	4.2
154.91623	4.3
176.53360	4.7
179.05640	4.6
232.80431	4.3
313.73642	4.3
415.14587	52.7
416.15332	4.3
451.12228	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.8
59.01382	46.0
60.99313	5.0
61.98828	4.5
63.96815	3.1
67.01895	14.2
68.02229	4.6
69.03487	5.4
70.94247	8.3
71.01382	27.2
73.02945	11.6
81.03445	4.6
83.01415	15.4
83.05003	5.1
85.02966	8.3
87.00890	21.2
88.01244	4.9
89.02457	4.6
93.03471	100.0
94.03796	30.0
95.05032	3.3
97.06586	3.0
99.00865	5.1
101.02450	9.9
105.03506	4.8
105.30144	3.1
109.02967	3.5
111.04537	15.3
112.04869	5.3
113.02467	11.2
123.04564	5.2
129.01961	7.8
133.02965	35.2
134.03738	11.8
135.04597	18.5
137.02426	8.0
137.09750	5.0
139.04047	4.4
145.02957	6.5
160.01675	6.0
161.02446	11.4
162.03238	4.4
163.03992	3.6
171.08153	15.1
173.04568	43.4
174.04880	25.6
175.05049	20.5
177.01941	8.0
178.02747	5.3
179.03458	9.3
185.09628	3.0
187.11310	47.3
191.05647	13.1
192.05931	8.3
193.06033	3.5
203.03560	4.2
203.14417	37.3
229.12320	23.8
231.10332	4.2
245.15543	7.7
271.13416	44.6
272.13934	3.7
275.09250	3.4
284.17398	2.9
296.22366	3.3
306.50131	3.0
333.63205	2.9
354.08838	2.8
437.99670	3.1
451.15048	42.3
451.20190	4.6
452.09424	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	451.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.8
59.01382	46.0
60.99313	5.0
61.98828	4.5
63.96815	3.1
67.01895	14.2
68.02229	4.6
69.03487	5.4
70.94247	8.3
71.01382	27.2
73.02945	11.6
81.03445	4.6
83.01415	15.4
83.05003	5.1
85.02966	8.3
87.00890	21.2
88.01244	4.9
89.02457	4.6
93.03471	100.0
94.03796	30.0
95.05032	3.3
97.06586	3.0
99.00865	5.1
101.02450	9.9
105.03506	4.8
105.30144	3.1
109.02967	3.5
111.04537	15.3
112.04869	5.3
113.02467	11.2
123.04564	5.2
129.01961	7.8
133.02965	35.2
134.03738	11.8
135.04597	18.5
137.02426	8.0
137.09750	5.0
139.04047	4.4
145.02957	6.5
160.01675	6.0
161.02446	11.4
162.03238	4.4
163.03992	3.6
171.08153	15.1
173.04568	43.4
174.04880	25.6
175.05049	20.5
177.01941	8.0
178.02747	5.3
179.03458	9.3
185.09628	3.0
187.11310	47.3
191.05647	13.1
192.05931	8.3
193.06033	3.5
203.03560	4.2
203.14417	37.3
229.12320	23.8
231.10332	4.2
245.15543	7.7
271.13416	44.6
272.13934	3.7
275.09250	3.4
284.17398	2.9
296.22366	3.3
306.50131	3.0
333.63205	2.9
354.08838	2.8
437.99670	3.1
451.15048	42.3
451.20190	4.6
452.09424	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	451.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58701	12.3
55.81047	11.6
59.01389	95.0
61.98822	57.3
70.57961	38.6
71.01391	45.1
73.02975	12.6
76.10381	13.2
85.02963	20.2
89.02467	40.0
92.75695	12.3
93.03501	14.8
99.00931	14.3
101.02499	31.7
113.02464	22.5
117.03474	12.2
118.11279	13.0
122.02516	16.7
124.04041	28.8
137.00682	13.0
137.97896	13.1
145.02959	53.7
163.04070	13.3
191.05649	21.8
272.09280	32.7
340.69470	14.8
370.73248	15.7
391.23257	29.7
404.07089	15.1
451.25772	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	451.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58701	12.3
55.81047	11.6
59.01389	95.0
61.98822	57.3
70.57961	38.6
71.01391	45.1
73.02975	12.6
76.10381	13.2
85.02963	20.2
89.02467	40.0
92.75695	12.3
93.03501	14.8
99.00931	14.3
101.02499	31.7
113.02464	22.5
117.03474	12.2
118.11279	13.0
122.02516	16.7
124.04041	28.8
137.00682	13.0
137.97896	13.1
145.02959	53.7
163.04070	13.3
191.05649	21.8
272.09280	32.7
340.69470	14.8
370.73248	15.7
391.23257	29.7
404.07089	15.1
451.25772	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	451.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.2
57.03448	2.7
58.00595	5.2
59.01385	100.0
66.56646	1.1
69.45210	5.2
69.45630	2.7
71.01391	66.4
71.05032	1.3
71.41411	1.0
72.99317	6.1
73.02948	4.4
75.00876	1.4
83.01398	3.2
83.05000	1.2
85.02956	16.8
87.00883	3.5
87.04525	5.3
87.84427	1.1
89.02451	86.1
90.97156	2.8
95.01421	6.2
99.00909	2.4
99.04533	1.4
101.01806	2.4
101.02454	42.0
101.14056	1.2
109.06630	2.6
111.00903	6.4
113.01730	1.9
113.02467	22.2
114.02778	1.9
119.03519	34.5
125.02487	1.4
131.03476	4.2
141.12434	1.2
143.03499	4.9
146.96185	4.0
149.04550	2.6
153.09283	1.6
161.04584	7.8
171.10275	5.4
176.88229	1.2
179.05658	17.3
208.04175	1.3
208.09267	1.1
237.09233	1.3
247.04962	2.8
251.57083	1.1
271.18958	1.3
287.18573	3.5
289.06723	1.3
289.20242	46.4
290.20612	3.3
331.07034	6.4
391.09308	8.7
451.25519	99.2
452.25964	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	451.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.6
57.03445	3.5
58.00589	2.8
58.69943	1.0
59.01387	88.3
60.01735	1.1
61.98814	3.4
66.27106	1.3
71.01389	79.5
71.28930	2.4
71.48814	1.1
72.99305	4.7
73.02953	23.4
75.00925	1.3
80.94412	1.3
83.01382	5.8
85.02964	25.5
86.03282	1.2
87.00887	4.4
87.04521	2.6
89.02455	60.3
95.01389	4.5
96.96040	1.3
97.02970	1.4
99.00912	5.8
101.02451	45.4
103.04034	4.2
113.02459	31.4
117.03469	1.7
119.03511	30.6
128.37218	1.2
130.39719	1.1
131.03537	3.2
133.02943	1.5
135.04512	1.2
143.03581	5.8
145.02943	3.2
147.11777	2.3
149.04561	3.4
159.03044	2.0
161.04570	13.9
166.46301	1.2
179.05647	13.1
197.06261	1.3
201.14964	1.6
215.13022	2.0
227.07112	1.8
271.15543	1.7
289.16901	3.2
289.20193	39.8
319.17413	1.7
430.20334	1.3
451.25604	100.0
452.26004	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	451.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60595	1.0
53.28495	1.0
53.40271	1.0
55.01879	3.0
57.03449	3.5
58.00592	2.8
59.01386	100.0
67.26949	1.0
69.37645	7.8
71.01389	79.7
72.99305	4.7
73.02578	2.0
73.02956	24.1
83.01410	6.9
85.02956	18.8
87.00877	4.3
87.04521	4.1
89.02456	82.0
90.02757	1.5
90.99500	1.1
95.01399	4.9
96.96024	6.5
97.92135	1.1
99.00881	3.4
100.32604	1.2
101.02457	46.6
103.04047	5.3
113.02465	27.6
119.03523	36.9
125.02439	1.1
131.03516	4.8
132.87349	1.0
143.03517	5.7
145.03017	1.2
147.11856	2.4
149.04570	3.1
159.03101	1.3
160.26553	1.0
161.04568	13.0
179.05627	23.2
203.54141	1.3
224.18808	1.2
240.51889	1.1
244.07999	1.3
289.20242	55.0
290.20596	3.7
451.15823	1.7
451.25549	44.2
452.26199	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	451.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43758	1.8
53.53841	1.8
57.03456	3.4
58.00578	5.1
59.01386	84.8
60.27377	1.9
61.98840	2.2
71.01389	62.8
71.29688	3.0
71.30048	2.3
72.99310	3.3
73.02940	5.3
83.01386	4.3
85.02948	15.9
87.00879	3.3
87.04511	4.7
89.02453	73.8
95.01429	2.4
101.02449	37.3
109.06580	3.0
113.02456	26.8
119.03510	32.2
131.03516	5.2
143.03482	4.6
149.04565	5.6
153.26364	1.8
161.04553	7.8
171.10292	3.4
179.05644	16.9
289.20239	35.6
290.20593	2.4
313.07095	2.6
340.24207	2.2
405.93527	2.2
451.25522	100.0
452.25641	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	451.329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06184	0.1
53.93357	0.1
54.62411	0.1
58.02970	0.4
59.01385	0.8
60.72539	0.1
68.39006	0.1
71.01379	0.3
80.05062	0.4
81.03465	9.4
82.03809	0.3
83.05035	25.5
84.05347	0.6
89.02441	0.4
93.03470	0.2
98.22579	0.4
99.00868	0.2
100.07723	0.2
101.02448	0.2
107.06204	0.6
108.04575	1.0
113.02480	0.1
125.07224	3.2
126.05637	0.5
143.08281	1.4
157.13460	0.2
166.12386	0.1
182.15485	0.1
191.05722	0.2
191.71892	0.1
192.05966	0.1
207.15038	3.5
208.13393	0.2
208.15280	0.2
224.15973	0.1
224.17699	4.8
225.16103	11.4
226.16420	0.6
228.90057	0.2
242.18745	1.7
250.15625	0.3
268.16666	0.3
290.22379	0.2
292.20300	0.1
303.18427	0.1
309.21829	0.5
324.26559	1.7
325.26611	0.2
328.26868	0.1
333.22992	4.2
334.23334	0.3
339.27670	0.3
351.24118	0.9
367.27124	1.2
384.35986	0.1
385.28275	0.4
406.30911	0.2
433.31848	5.4
434.32202	0.7
451.32919	100.0
452.33228	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	452.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.5
58.00590	2.1
59.01381	46.4
61.98830	9.9
66.65427	1.5
69.05119	8.6
69.05546	5.5
71.01387	30.6
72.01727	1.7
72.99315	3.5
73.02946	3.2
78.95908	4.5
79.95747	12.2
80.96510	4.0
83.01379	1.8
85.02950	17.3
87.00863	3.8
89.02446	31.8
93.03433	1.7
94.02999	16.6
95.01401	2.0
97.02975	3.3
101.02429	12.3
106.98103	5.6
109.01701	53.1
109.06595	11.5
110.02491	5.9
113.02454	45.5
116.05057	2.2
117.03473	26.2
119.03517	12.1
119.05008	6.5
121.75340	1.6
122.02496	14.5
123.03280	5.4
124.00746	2.7
124.04050	14.4
125.02490	2.5
133.03027	2.9
134.03772	2.2
135.04506	2.9
137.02454	2.0
137.04816	5.2
145.02966	100.0
146.03307	2.8
147.04529	3.2
152.99611	8.6
161.02458	6.7
161.04597	1.9
162.21333	1.3
163.04025	22.7
163.11266	6.0
163.12538	1.2
167.06802	1.3
168.08218	2.1
169.41684	1.4
177.32433	1.5
179.05606	2.4
187.04036	4.2
189.96883	1.5
191.05539	2.9
196.07680	10.2
202.13676	1.5
205.05061	1.9
207.10269	17.6
212.07138	11.9
213.07898	5.6
214.08725	3.6
225.11320	13.5
228.10286	19.3
245.04410	1.6
245.06956	3.5
258.07700	7.7
272.09314	34.3
273.09787	2.4
392.23666	2.1
421.11368	26.7
452.16846	2.1
452.23038	40.7
453.14838	23.6
453.23209	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	452.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.8
58.00584	2.9
59.01386	75.7
61.98842	10.5
64.32312	1.6
71.01386	46.7
72.99319	4.7
73.02943	5.0
78.95930	8.0
80.91718	1.9
83.01385	2.9
85.02958	16.6
87.00844	2.3
87.04509	1.7
89.02456	59.0
93.03455	3.1
94.02987	4.1
95.01405	5.2
96.04594	1.7
97.02956	3.8
99.00901	3.2
101.02451	27.3
109.01708	100.0
109.06582	4.0
110.02542	10.5
111.00873	2.1
113.01726	3.0
113.02464	35.9
116.05089	3.0
117.03482	14.1
119.03535	21.3
119.05024	7.8
120.99660	2.1
122.02495	10.4
123.03287	9.8
129.01912	3.1
131.03529	2.0
133.02940	4.8
135.04539	4.4
137.02411	1.8
138.08665	1.5
141.00702	2.1
143.03485	3.4
145.02980	54.8
149.06093	1.8
152.99576	5.5
161.02487	12.6
161.04543	5.1
163.04041	7.2
163.11351	2.9
168.08183	2.3
172.05356	1.8
179.03554	2.9
179.05536	4.9
187.04066	2.4
191.05573	2.7
196.07715	17.8
200.05228	1.6
207.10278	6.3
212.07199	19.7
213.07939	7.4
214.08749	6.3
225.11343	6.7
227.65514	1.6
228.08057	2.0
228.10318	37.2
228.85202	1.9
229.10681	4.0
245.06947	6.6
258.07745	15.5
272.09305	24.5
273.09854	2.1
291.21176	1.6
321.19165	3.5
370.96725	2.1
421.11780	8.0
452.25668	2.6
452.32727	2.3
453.07230	1.7
453.14017	13.0
453.22739	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	452.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86548	15.6
67.74601	15.8
69.21995	100.0
69.23148	13.3
98.22507	25.4
107.20993	13.9
126.92809	15.0
171.10254	88.8
183.23384	15.6
207.10219	22.9
262.61606	20.7
298.27725	17.4
305.99875	15.9
352.05716	17.7
390.83618	15.7
411.60995	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	452.2785
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
69.90668	1.0
78.95914	20.3
85.98983	0.2
122.00136	1.0
122.98573	0.2
134.98497	0.3
140.01202	5.0
152.99625	1.3
166.02760	0.4
196.03818	9.2
206.63858	0.3
214.04848	2.2
222.04880	0.2
255.23317	100.0
256.23688	6.7
372.99786	0.2
388.48822	0.2
452.27856	20.3
453.28275	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	453.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
57.03456	1.0
59.01386	3.7
61.98827	1.1
68.20602	0.5
69.03477	0.5
69.53618	1.4
69.54034	1.4
71.01396	3.3
72.99295	0.8
73.02943	0.9
81.03459	0.7
83.01391	0.8
85.02966	7.0
86.92818	0.5
87.00884	0.6
89.02471	1.4
95.01429	0.6
95.05052	0.5
97.02931	0.6
99.00901	1.5
99.04529	1.0
101.02436	4.8
105.03472	1.2
107.05049	1.0
109.02965	1.3
111.00898	3.2
113.02443	1.3
117.03488	1.4
118.68291	0.5
119.05069	0.7
121.02950	0.5
123.04516	0.8
125.02445	0.5
127.04029	0.9
129.01959	33.8
130.02263	0.8
132.02199	2.4
133.02975	37.3
134.03815	4.1
135.04541	38.2
136.04877	1.7
137.02431	1.0
140.57550	0.5
145.02965	1.6
147.04544	0.7
149.06117	1.4
161.02463	100.0
162.02821	3.8
163.04033	1.5
175.03943	1.1
177.01956	0.6
177.05527	2.8
179.03522	24.8
180.03915	1.5
189.01947	1.3
189.05571	0.5
203.03552	7.5
203.07138	3.2
221.04572	2.0
233.04521	1.1
247.06117	0.7
247.09586	0.5
251.05649	0.8
281.06677	2.3
287.07150	0.5
289.07129	0.8
291.07266	0.9
323.07745	3.6
339.07101	0.6
341.08893	3.4
409.11404	7.6
409.16415	0.9
453.10217	15.4
454.10770	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	453.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
59.01386	6.4
60.85767	0.5
61.98815	0.7
63.47801	0.5
66.43999	0.5
71.01392	5.7
71.28482	1.0
72.99294	0.9
73.02937	1.0
81.03449	0.7
83.01376	1.0
85.02962	8.2
87.00884	0.7
89.02454	2.1
93.03476	0.6
99.00880	0.7
99.04548	1.0
100.58812	0.6
101.02450	5.1
105.03488	0.7
107.05079	0.8
107.96679	0.5
108.67021	0.6
109.02982	1.4
111.00890	3.2
113.02454	3.3
117.03461	2.0
119.03538	1.3
119.05046	1.4
121.02985	0.7
123.04567	0.7
127.00465	0.9
127.04012	0.9
129.01962	28.2
130.02278	0.7
132.02190	1.9
133.02974	39.1
134.03835	3.7
135.04539	35.5
136.04875	1.3
137.02449	1.0
139.03914	0.6
145.02991	3.1
147.04504	0.9
149.06064	1.8
160.10977	0.6
161.02464	100.0
162.02788	3.9
163.04027	2.5
175.04036	0.9
177.05580	2.1
179.03519	26.4
180.03830	0.9
203.03520	8.7
203.07204	2.1
205.05098	0.6
221.04613	2.5
233.04485	1.0
251.05730	0.7
270.14908	0.6
274.07202	0.7
281.06668	2.7
289.07455	0.8
291.07217	0.9
323.07843	3.1
341.08887	2.5
409.11438	7.8
428.28714	0.6
453.10397	13.2
454.10785	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02558	0.8
57.03448	2.3
59.01384	11.6
60.01824	0.8
60.43170	0.8
61.98832	1.8
67.13886	0.9
67.85211	0.9
67.88799	0.9
69.23449	7.4
71.01388	8.9
72.99290	1.1
73.02929	3.0
74.20804	0.9
78.39384	0.9
81.01140	0.8
83.01393	1.3
85.02958	12.0
87.00860	2.8
88.71748	0.8
89.02473	4.9
95.01366	0.9
99.00877	1.9
101.02447	7.0
107.05029	1.2
109.02940	1.2
111.00891	3.8
113.02447	6.5
117.03493	4.7
119.03520	2.1
119.05048	9.0
121.02953	1.2
127.00375	3.0
129.01955	13.1
132.02164	1.9
133.02972	32.3
134.03763	2.6
135.04536	28.2
139.03908	1.1
143.03453	1.2
145.02963	15.6
146.03531	1.0
149.06042	2.0
161.02461	100.0
162.02806	4.5
163.04015	10.4
174.03178	1.4
175.03979	2.4
177.05545	4.1
179.03500	25.2
180.03937	0.9
189.01895	2.9
189.05495	1.4
203.03517	11.2
206.20685	1.1
210.26163	0.9
221.04526	3.3
229.08743	1.2
251.05632	2.9
273.07706	1.4
281.06677	4.9
292.03024	2.8
293.17291	1.0
323.07611	6.2
333.09637	1.1
341.08826	4.8
388.92435	1.0
406.04294	1.0
409.11395	13.3
410.11874	1.5
442.13434	1.1
452.25919	1.3
453.09891	13.0
453.25659	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	453.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.2
58.62160	1.0
59.01387	1.5
61.55013	1.0
61.98837	21.0
66.69659	1.0
70.39095	1.8
70.39440	1.6
71.01401	1.3
73.07962	1.0
77.49907	0.9
81.03467	6.8
83.05037	67.7
84.05361	2.4
99.04556	2.5
119.05039	2.9
127.04031	100.0
128.04329	2.2
129.05634	1.5
130.80135	1.2
163.04034	3.6
277.76639	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89351	0.6
54.26229	0.6
55.01881	0.9
57.03451	2.0
59.01383	5.7
61.98799	1.0
69.21915	5.6
69.66666	0.6
69.96246	0.6
71.01387	6.2
72.01701	0.7
73.02961	1.1
83.01418	0.6
85.02961	13.3
87.00903	1.4
89.02452	2.4
93.03473	1.6
97.02947	1.1
98.21756	1.2
99.00942	0.7
101.02472	5.2
111.00911	1.0
113.02460	60.1
114.02829	1.8
117.03483	31.9
119.05042	27.1
120.05357	0.7
125.02514	0.8
127.00367	3.9
129.01965	0.9
131.05048	0.8
133.02969	2.2
133.06606	1.3
134.93364	0.6
135.04521	1.6
137.02373	0.7
145.02969	100.0
146.03339	4.5
159.04506	2.0
161.02432	5.9
161.06114	2.2
163.04031	30.4
163.05412	1.4
164.04364	1.5
177.05609	1.4
179.03477	1.4
187.04018	13.7
203.07034	1.3
205.05074	2.2
245.06625	1.4
263.07693	1.0
265.07190	1.8
281.98804	0.7
307.08316	1.9
376.77115	0.7
409.11356	3.4
421.11569	3.9
453.10147	5.0
454.10220	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95368	15.3
51.83893	12.3
52.76011	16.4
53.60539	14.7
55.06725	14.2
59.01390	67.9
61.93556	12.5
66.16476	14.0
69.28977	100.0
71.01378	20.5
80.72920	11.7
85.02949	19.5
93.78120	14.3
98.21761	26.3
99.38593	12.7
103.04014	30.1
113.02464	18.5
128.67918	13.1
132.25990	12.8
133.02991	31.0
135.04558	29.4
146.66125	14.1
161.02405	40.2
177.01949	29.6
178.02585	17.7
179.03590	34.0
198.34108	18.9
203.93617	14.2
232.96568	14.4
270.86313	19.5
453.22534	58.6
454.22833	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	453.2263
Annotation	Arisugacin E
Peak:m/z	Relative Intensity
57.33424	10.2
59.01377	40.2
69.15520	100.0
69.15795	8.8
69.53014	10.0
91.60987	12.4
96.31027	10.9
103.04020	46.6
116.60066	11.8
161.02541	17.9
389.56226	12.6
453.22678	70.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38254	11.9
52.35946	11.7
57.03439	18.4
58.26554	12.3
59.01386	92.2
61.64855	11.1
62.25335	10.7
63.41906	13.7
63.88967	12.8
65.72725	10.8
69.15020	80.8
69.15433	28.4
71.01387	53.2
78.17434	11.9
85.02968	30.5
85.51070	11.0
89.02468	30.7
91.17648	11.5
101.02458	36.7
113.02478	39.5
117.03447	13.2
121.03011	12.9
133.02980	100.0
134.03769	29.5
135.04538	64.7
137.02466	28.5
145.02975	40.0
160.01660	18.1
161.02461	93.2
161.05997	14.1
162.11383	13.5
165.22852	13.2
168.19862	11.8
174.03185	12.8
176.04755	14.5
177.01971	36.2
177.05579	13.6
178.02728	60.6
179.03497	68.7
202.02800	15.1
203.03391	13.9
213.05843	15.0
220.03784	29.4
221.04703	13.2
247.09773	33.3
250.04892	12.5
286.34625	14.8
289.10803	15.5
347.74365	13.0
354.20895	14.7
355.47507	13.2
453.22409	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	453.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	22.1
69.18205	61.9
69.18630	100.0
73.77181	19.0
82.62070	18.1
98.28948	19.2
102.44223	18.4
107.34803	16.3
118.38679	22.6
145.02992	26.3
147.02022	22.9
202.41577	18.6
250.20979	18.0
429.59335	19.2
443.35016	19.3
453.22632	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41880	1.9
55.49858	1.5
57.03448	3.4
58.00597	3.5
59.01385	84.5
61.98827	4.8
68.99813	2.3
71.01391	59.2
71.29570	2.5
72.99322	4.5
73.02946	6.4
83.01399	4.3
85.02954	20.0
87.00887	4.8
89.02457	74.1
93.03498	2.1
95.01398	6.0
97.02982	2.2
99.00893	3.2
101.02455	49.8
105.03464	2.2
109.02979	4.3
113.02468	32.5
114.02760	2.3
117.03469	2.5
119.03521	37.1
121.03003	2.0
125.06131	2.1
129.01994	2.2
131.03528	3.3
132.02228	1.7
133.02975	30.2
134.03807	10.5
135.04556	28.8
137.02466	7.1
139.04030	4.1
143.03528	4.6
145.02979	6.6
149.04573	2.8
149.06102	8.0
150.03311	2.0
151.07729	9.5
152.08452	30.4
156.66603	1.6
159.04443	2.0
161.02489	44.2
161.04495	10.1
162.02834	3.2
165.09201	2.0
174.03246	1.9
175.04007	3.0
177.01976	9.0
177.05576	6.1
178.02710	18.3
179.03531	34.5
179.05585	12.2
180.03955	2.4
203.03513	16.3
203.10826	13.8
204.03831	2.1
217.12415	7.2
218.13153	6.4
220.03802	7.7
220.23949	1.8
221.04607	10.7
231.13837	2.1
233.08186	2.1
244.07988	1.7
247.09718	9.8
251.05690	3.8
258.92261	2.0
263.01547	1.8
273.07901	2.3
273.18518	9.0
275.09341	2.6
281.06744	3.6
289.10718	3.4
291.08838	5.6
291.19766	6.6
301.16641	4.5
341.08810	6.6
435.24295	3.2
438.22699	4.0
453.25043	100.0
454.25427	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	453.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
65.25540	10.4
70.86735	14.1
70.87060	15.7
71.01389	16.4
171.95863	11.4
198.54527	10.9
255.23233	100.0
372.93799	11.1
393.87106	12.2
472.47266	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	453.263
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45636	14.1
59.88266	13.0
69.40689	100.0
98.21857	30.8
103.19282	12.4
115.40859	14.1
145.77899	14.1
181.17039	13.9
218.71329	13.1
250.88805	13.8
255.30183	14.3
377.85513	13.9
429.92487	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	454.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	74.9
64.83853	10.9
71.01374	33.9
73.02936	19.3
82.31071	10.6
83.01398	20.9
83.38644	12.9
85.02963	11.0
96.76562	11.5
101.02447	38.4
108.02164	16.3
109.02969	74.4
113.02441	32.8
119.04990	11.2
132.40514	12.1
134.03761	40.3
136.01685	100.0
137.02434	44.4
145.02982	40.7
151.04025	31.3
177.01862	24.1
187.04021	19.0
195.02969	20.3
229.06024	17.8
233.08150	21.3
238.04959	13.1
293.10394	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	454.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	41.5
61.98833	20.6
62.23343	3.5
69.27615	3.1
71.01401	15.2
73.02953	6.8
83.01392	7.0
85.02959	7.7
89.02458	7.3
98.21691	6.3
101.02457	13.9
107.05054	3.8
108.02212	9.9
109.02958	70.2
113.02447	18.6
116.68846	3.4
119.05035	5.2
133.02994	9.7
134.03760	39.7
135.04518	6.4
136.01682	100.0
137.02458	46.8
145.02994	18.5
146.03362	4.7
151.04021	37.6
160.95676	4.8
163.04057	6.0
177.01984	13.9
178.02815	5.4
178.93581	3.9
187.03981	9.0
195.02997	10.2
219.03011	4.2
229.12772	4.7
231.10307	10.9
233.08205	14.4
237.03993	6.1
238.04829	11.2
293.10361	17.0
297.78668	3.9
321.68454	3.9
335.11517	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	454.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.3
59.01381	41.2
61.98825	8.2
71.01387	15.6
72.99336	4.1
73.02937	5.1
73.29449	1.7
81.55669	2.1
83.01378	6.0
85.02953	5.9
89.02423	5.0
90.40218	1.8
95.05013	2.1
98.21750	7.5
99.00880	2.1
101.02464	11.4
105.03445	3.6
108.02155	10.2
109.02959	37.7
113.02467	11.5
117.03491	5.5
119.05029	4.7
121.02963	4.9
123.04504	4.8
133.02975	13.6
134.03757	62.2
135.04559	15.3
136.01672	100.0
136.44392	1.8
137.02457	47.4
145.02972	16.9
147.04510	2.1
149.02440	5.4
151.04018	22.8
161.02460	5.0
161.04590	2.4
163.03996	5.8
175.04025	3.9
177.01971	12.0
177.05580	2.9
178.02718	5.1
179.03441	7.9
179.05463	1.9
187.04051	4.9
195.03008	8.3
196.03780	3.4
205.08693	3.7
207.13835	2.4
219.03030	5.0
221.04614	3.2
231.10289	22.9
233.08235	18.6
237.04108	3.7
238.04884	15.3
250.04808	5.2
250.10202	2.1
280.06046	4.0
283.97034	2.0
293.10361	12.4
325.09085	2.5
335.11276	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	454.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	16.8
61.98830	2.6
65.03967	1.4
66.78638	0.9
69.03443	1.8
69.12233	1.0
71.01385	9.2
72.99320	1.6
73.02953	6.5
81.03464	2.2
83.01394	4.9
85.02972	4.8
87.00874	1.0
89.02436	3.4
95.01386	2.4
97.06605	1.9
101.02445	9.2
105.03456	1.1
107.05038	1.3
108.02167	8.1
109.02956	47.3
113.02458	9.8
117.03476	1.0
119.03522	1.5
119.05034	1.2
121.02990	2.7
123.04539	2.5
131.03513	1.2
133.02974	7.0
134.03749	43.7
135.04530	10.0
136.01669	100.0
137.02452	64.4
141.01720	1.3
145.02968	5.0
149.02443	4.0
151.04018	27.7
161.02478	3.2
161.04573	1.9
175.03978	1.9
177.01936	8.6
177.05473	1.2
178.02698	1.6
179.03461	3.5
187.03925	1.0
187.07614	1.4
191.03494	1.1
195.02982	8.9
196.03770	7.5
205.08670	3.0
219.02962	2.5
231.10284	9.3
233.08176	11.6
237.03992	5.1
238.04846	15.3
249.11182	1.2
250.04799	2.6
257.17548	1.1
267.05054	1.4
268.05817	1.0
280.03043	1.0
280.05896	2.1
287.10278	1.2
293.10345	16.7
335.11401	6.8
365.19876	1.0
454.21194	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	454.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48586	1.0
61.98835	100.0
62.55862	1.0
69.25594	7.8
72.00893	1.1
72.01551	1.1
89.95968	1.2
98.21819	2.3
113.31390	1.1
116.64435	1.1
175.73070	1.3
187.13577	1.1
189.67258	1.2
258.97311	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1202
Annotation	Adicardin
Peak:m/z	Relative Intensity
57.16088	1.4
59.01387	13.4
60.98250	1.3
61.98831	4.6
68.47458	1.5
71.01382	11.0
71.28746	2.2
73.02938	1.8
74.12267	1.6
80.40376	1.6
84.96137	1.5
85.02969	9.2
87.00904	2.3
89.02451	6.5
90.77259	1.5
93.03445	1.6
93.75697	1.3
95.01456	1.6
96.96961	2.1
101.02452	5.3
109.02931	2.1
113.02459	29.5
117.03480	2.8
119.03503	1.6
119.05053	3.5
121.02973	3.4
129.01949	3.8
131.02383	1.5
132.02139	2.1
133.02977	47.2
134.03558	3.2
135.04550	25.1
136.01759	1.9
145.02963	9.7
148.05208	1.8
149.06050	2.8
151.04076	8.8
159.04509	1.8
161.02463	100.0
162.02834	7.6
163.04027	4.2
165.01926	2.8
175.04033	3.6
176.04688	1.9
177.02002	7.7
177.05547	5.1
177.09167	4.5
179.03487	24.6
180.03975	1.5
187.04028	2.2
187.07672	5.4
193.05174	1.8
197.87471	1.5
202.06534	2.2
203.03558	17.8
203.07018	2.1
205.08630	5.4
213.05724	1.5
215.07095	3.6
221.04628	3.3
231.10152	8.0
233.04597	2.3
233.08209	6.5
237.04149	1.9
249.11372	12.2
257.08200	2.7
275.09344	2.3
281.06744	4.0
297.06168	3.5
317.10233	2.1
323.07846	6.1
335.11404	2.9
341.08798	17.3
423.25647	1.9
437.10794	23.3
438.11465	2.4
455.11588	4.5
459.22888	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	455.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.1
57.03440	1.4
59.01382	19.3
68.99818	1.1
71.01373	5.4
71.08064	1.5
73.02938	3.0
73.30164	0.7
81.03455	2.4
83.01392	2.8
83.05046	1.2
85.02959	18.8
87.00887	1.4
89.02462	2.4
93.03449	1.4
95.01439	1.1
95.09867	0.9
97.02923	1.2
99.00896	0.8
99.04530	4.4
101.02443	9.0
109.02933	1.8
111.00895	15.8
113.02447	9.6
117.03461	3.6
119.03542	1.0
119.05037	8.4
121.02967	100.0
122.03300	2.8
125.02477	1.0
127.04032	7.8
129.01961	26.8
135.04539	1.9
139.04015	2.0
145.02982	11.0
151.04097	1.0
161.04605	1.1
161.06055	1.4
163.04012	4.7
171.03017	0.8
181.05083	7.0
187.04137	0.7
196.45882	0.9
205.05124	1.5
219.47510	0.8
223.06125	1.4
235.06160	1.0
265.07211	2.4
273.06125	1.3
304.61493	0.8
308.19852	0.8
333.08292	3.0
387.68948	1.0
393.12091	1.2
407.26135	0.8
455.12024	3.0
455.17563	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.0
57.03446	1.1
59.01381	7.9
68.99831	0.9
69.03464	1.3
70.58729	1.9
71.01390	4.3
71.04991	0.5
73.02973	3.4
81.03461	2.7
83.01395	5.3
83.05020	0.6
85.02956	17.5
85.06616	0.6
86.03275	0.6
87.00918	1.0
89.02456	1.1
93.03495	0.7
99.04537	5.4
101.02450	8.9
101.03039	0.9
108.02207	0.9
109.02970	2.0
111.00900	17.3
113.02445	4.6
117.03467	4.8
119.05045	9.4
120.05301	0.6
121.02972	100.0
122.03320	3.2
123.04542	0.7
123.10096	0.6
125.02510	0.8
127.04025	6.8
127.21482	0.6
129.01961	34.5
131.07176	0.6
133.03021	1.1
133.06564	1.5
135.04559	1.4
139.04059	0.9
145.02965	16.1
147.04659	0.7
151.04008	1.2
161.02571	1.0
161.04671	1.4
161.06097	4.1
163.04039	7.6
168.82669	0.7
171.03036	1.1
177.01973	1.8
177.05637	0.7
179.03571	0.7
181.05109	5.7
187.07693	1.1
205.05125	3.9
213.77187	0.6
223.06120	2.2
231.06799	0.6
235.06161	5.9
246.84090	0.6
253.07243	0.7
265.07214	8.3
283.08276	1.4
291.07239	1.5
307.08096	1.1
325.09329	0.7
437.11127	0.8
455.11581	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	455.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	1.9
58.98331	1.5
59.01387	19.8
61.98829	2.9
62.44315	1.7
69.00367	18.8
71.01395	15.5
72.01728	1.5
72.99325	2.0
73.02940	3.2
83.01389	2.6
85.02960	26.7
87.00879	2.8
89.02483	7.8
90.75753	1.5
93.03453	1.9
97.02974	2.8
98.21840	4.2
101.02468	6.0
109.02979	3.9
111.00893	3.4
113.02485	12.4
117.03482	15.6
119.03564	3.5
119.05014	12.1
121.02975	2.8
129.01970	25.2
133.02986	19.5
134.03751	2.0
135.04544	38.1
136.01714	3.9
136.04846	2.2
137.02460	4.0
138.43645	1.6
145.02965	49.7
147.04494	2.5
148.05298	2.5
149.06088	4.0
151.03987	2.7
159.04553	2.5
160.01645	2.0
161.02467	100.0
161.06151	3.4
162.02841	8.3
163.04073	10.5
173.06140	2.0
175.04044	6.9
177.01945	3.8
177.05623	9.2
177.09247	2.1
179.03534	32.2
185.06093	1.4
187.03996	17.2
187.07692	6.5
189.05524	2.4
202.06415	2.6
203.03520	33.6
205.05003	3.6
205.08691	4.5
207.06706	1.9
213.05673	1.9
215.07182	6.1
217.05183	1.9
221.04526	6.9
231.10236	9.1
233.04584	5.4
233.08141	8.2
249.11360	6.0
251.05620	3.9
257.08270	5.4
265.07138	2.2
275.09338	5.1
281.06744	8.3
299.09241	5.8
307.08298	2.3
317.10336	3.1
323.07797	4.0
325.09274	5.1
335.11475	2.2
341.08749	39.7
377.12289	2.0
437.14862	3.2
455.11389	3.6
455.19440	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	455.141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64155	2.0
59.01382	49.9
68.99575	6.6
71.01387	40.7
71.28644	3.1
72.99297	2.3
78.54319	2.5
78.95886	5.1
83.01379	2.7
85.02942	7.1
87.00890	4.4
89.02451	52.7
101.02452	17.0
110.98557	4.3
112.89660	16.2
112.98589	8.7
113.02458	50.4
119.03513	20.0
121.02988	14.8
129.01956	4.8
131.03528	2.5
140.61069	2.0
143.03551	3.1
161.04596	7.8
179.05623	32.4
187.07578	2.4
231.06610	3.6
240.89999	2.1
278.64764	2.6
324.42450	2.2
341.10898	100.0
342.11127	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	455.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	53.5
68.99580	37.8
69.03448	4.2
71.01395	58.9
71.27359	2.3
72.99300	3.8
78.95908	17.4
80.96352	2.7
85.02963	8.0
87.00907	2.5
89.02455	64.9
91.66061	2.4
97.45085	2.1
98.22310	2.5
100.32648	2.1
101.02460	26.0
110.89931	5.4
110.98548	11.9
112.88877	3.9
112.89661	51.4
112.98563	34.1
113.02472	58.2
119.03511	26.0
121.02943	11.2
129.01936	4.8
131.03526	3.7
143.03500	4.8
161.04568	8.5
179.05644	36.3
187.07608	3.5
231.06747	5.4
238.54459	2.8
276.91873	2.5
284.77328	2.7
341.10922	100.0
342.11188	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	455.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.3
59.84793	0.6
69.31380	3.2
69.31802	2.0
71.01377	4.0
80.88137	0.7
85.02966	2.1
89.02435	2.8
97.02955	1.4
98.22508	1.2
101.02441	1.5
113.02439	5.0
117.03477	28.4
118.03811	1.2
119.03574	0.7
119.05037	16.9
129.01996	1.2
132.05830	1.0
133.06607	2.3
145.02962	100.0
146.03336	4.0
159.04501	2.0
161.04723	1.3
161.06081	5.3
163.04022	21.6
164.04315	1.1
177.05608	1.9
185.38402	0.7
187.04021	30.4
188.04347	2.0
205.05075	9.3
217.05107	2.9
235.06172	4.3
265.07285	4.8
307.08203	2.7
325.09299	16.1
326.09525	1.1
414.85046	0.7
423.13043	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	455.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41480	0.6
55.89433	0.7
57.24799	0.6
59.01382	4.4
59.94203	0.6
61.31255	0.6
62.54215	0.7
64.72433	0.6
69.23775	3.1
69.24197	2.7
71.01398	3.3
85.02978	1.8
86.82202	0.7
87.84060	0.6
89.02468	2.2
97.02978	0.9
101.02450	1.5
105.41544	0.7
113.02477	4.9
117.03485	25.6
119.03607	1.0
119.05044	16.5
121.02961	0.9
133.06639	1.9
145.02971	100.0
146.03316	4.0
159.04520	2.3
161.04839	1.1
161.06111	4.8
163.04031	21.5
164.04349	1.0
173.06128	1.1
177.05595	2.6
187.04016	33.8
188.04387	1.4
191.07130	0.8
205.05038	8.6
217.05081	3.4
235.06125	3.5
245.08109	0.8
265.07159	5.8
278.90634	0.7
299.69281	0.9
307.08313	4.4
325.09277	19.3
325.12811	1.3
326.09653	1.8
423.12961	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	455.156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.3
71.01384	3.8
85.02972	1.2
89.02463	3.6
97.02978	0.7
97.95621	0.7
101.02451	1.6
113.02481	5.5
117.03470	28.4
117.46702	0.8
118.03820	1.2
119.03581	1.0
119.05025	17.5
131.04974	0.7
133.06590	1.2
139.84396	0.7
145.02960	100.0
146.03282	4.6
159.04512	2.9
161.04683	1.4
161.06090	6.0
163.04012	21.7
173.06126	1.1
177.05583	2.1
187.04008	30.1
188.04440	1.4
205.05040	8.5
217.05042	2.9
235.06142	3.0
265.07120	4.7
307.08246	2.8
325.09250	18.1
325.12790	1.2
326.09772	1.2
423.12979	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	455.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28893	0.9
57.58241	1.1
59.01366	2.5
70.32057	2.1
70.32426	1.6
71.01392	1.3
83.05034	2.7
85.02941	1.4
85.06595	20.4
89.11642	0.9
101.02446	1.0
111.00893	1.1
111.04534	10.3
113.02426	1.3
119.05038	57.2
120.05371	2.3
121.02968	7.2
127.04020	2.0
129.01889	1.5
129.05595	100.0
130.05937	3.3
137.18352	1.0
163.04019	66.4
164.04390	1.9
183.57016	1.0
198.37509	1.1
272.33640	1.1
326.85321	1.0
345.23489	1.0
357.51276	1.0
408.10031	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62606	1.9
54.18848	1.9
57.03448	6.7
59.01384	27.8
67.01899	2.7
70.91951	4.9
71.01394	31.8
72.99305	7.1
73.00018	1.7
73.02921	1.8
75.00879	21.3
84.08260	2.0
85.02956	49.4
87.00878	13.8
89.02446	8.0
91.19465	2.0
91.57043	2.0
92.07706	1.8
95.01392	13.4
99.00886	27.3
103.00397	10.2
111.00924	2.6
113.02464	100.0
115.00408	7.4
117.01952	12.2
117.30421	1.9
129.01961	9.2
157.01402	3.1
162.27425	2.0
162.83852	3.0
163.09476	1.9
175.02531	16.7
249.09236	27.6
250.09485	2.9
263.10785	7.8
264.11572	67.6
265.11920	2.8
279.13937	52.6
279.16965	2.9
280.14389	4.4
314.75482	2.1
455.17194	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	455.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96241	10.5
68.99820	6.1
70.62945	8.3
78.64713	2.6
81.03469	11.9
85.38518	2.8
87.44456	3.1
91.05554	8.8
93.03430	4.5
95.01392	14.1
95.05066	5.3
107.05043	13.3
109.02989	6.0
119.05018	17.6
121.02982	6.0
121.06615	7.7
122.03757	6.6
123.04548	3.3
133.06567	6.7
135.04535	100.0
137.06085	28.2
147.04514	14.8
150.03291	3.3
150.06889	6.5
160.55681	2.7
163.04031	4.7
179.01740	6.2
180.02550	8.9
182.05852	8.5
209.65828	2.9
212.01512	11.4
242.71088	3.4
261.18787	3.8
293.15887	6.2
294.16583	25.0
295.17136	4.7
317.10779	3.0
326.15576	83.2
326.45123	3.0
327.15854	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	456.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01131	8.4
59.01382	100.0
61.98820	13.9
69.21361	37.2
69.21788	32.6
71.01381	15.6
71.05044	10.8
78.15792	7.4
85.02964	13.0
87.90154	7.7
93.03424	12.1
98.22515	14.8
101.02447	13.2
109.02948	19.0
110.03292	12.1
113.02408	13.7
128.30750	7.5
134.03729	21.2
136.01660	46.9
137.02423	25.6
145.02995	8.1
174.11264	7.9
221.63213	8.5
245.13844	10.7
280.30682	8.8
331.09100	8.6
456.29791	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01012	17.9
59.01385	56.1
69.04530	100.0
69.04951	88.3
71.88561	21.8
89.02481	16.9
113.01704	18.2
135.95076	21.1
207.56430	18.3
210.15324	19.0
268.64215	18.6
390.55832	21.4
425.71872	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	456.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99697	18.1
56.72869	18.3
59.01384	100.0
61.98828	62.3
68.33864	16.2
70.73252	16.3
71.01381	48.4
85.02974	20.6
98.21672	28.6
101.02481	27.6
109.02949	53.6
110.03313	27.7
131.86287	17.3
134.03714	39.4
135.04320	29.2
136.01686	80.7
137.02405	53.1
145.02972	52.0
146.03284	65.7
162.95341	37.6
191.05479	18.8
199.77580	17.5
205.05171	19.8
346.64505	18.6
350.12177	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	456.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00568	2.3
56.99257	2.2
57.03436	4.9
59.01387	100.0
61.98818	10.5
69.26189	5.0
69.26594	14.3
71.01389	22.0
71.05021	4.7
72.99292	4.2
73.02946	6.5
83.01375	7.9
83.05029	2.6
85.02951	5.7
89.02457	10.6
89.31573	2.2
95.01357	2.2
97.06615	6.0
98.21764	4.8
101.02441	13.4
102.05605	2.7
108.02172	4.0
109.02992	19.3
110.03288	7.5
113.02478	15.4
114.02740	2.9
118.03795	2.4
119.03493	4.1
119.05025	5.3
128.03569	2.9
128.70802	2.2
133.02957	8.7
134.03764	23.1
135.04149	12.9
136.01674	50.2
136.04874	4.0
137.02322	23.2
137.75807	2.3
138.02809	10.4
143.10779	6.2
145.02946	10.8
146.03278	4.7
151.04033	11.3
152.04379	6.6
161.02512	3.5
161.04591	3.5
163.07605	2.6
165.12874	4.6
177.01965	5.7
178.02473	5.1
179.03386	3.8
180.03951	3.0
185.11804	3.9
187.03947	2.5
188.04411	3.0
191.05630	3.4
195.02992	6.2
196.03320	4.0
209.11841	6.9
220.03529	3.3
227.12949	13.3
231.10193	3.2
232.10611	10.7
233.08244	3.8
234.08549	7.0
235.22122	2.6
238.04907	3.9
239.05113	5.0
245.13974	9.6
250.04771	4.0
288.18222	7.8
293.10373	5.5
294.10657	7.7
316.20633	2.5
341.19745	4.0
342.23047	5.5
358.66989	2.5
456.30063	16.4
457.24405	9.8
457.29794	3.6
466.57321	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	456.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72791	4.6
52.13142	4.2
53.91455	4.3
55.95956	4.7
59.01380	94.4
61.98838	11.2
68.82295	4.3
71.01381	39.3
71.05061	5.6
72.99300	5.5
73.02964	11.3
81.03459	6.0
83.01398	11.6
85.02968	10.3
89.02449	26.3
95.01405	5.7
97.06583	5.6
101.02451	24.1
103.18286	4.2
108.02187	10.4
109.02958	67.5
110.03274	26.5
113.02467	20.6
114.02840	10.1
117.03448	7.1
119.05055	8.1
133.02972	10.6
134.03790	31.8
135.04124	15.6
136.01662	100.0
136.04857	6.5
137.02321	48.2
138.02855	23.3
145.02948	26.6
146.03288	8.9
149.02434	6.2
151.04033	26.4
152.04407	14.0
161.04533	9.9
162.02789	5.2
163.04039	10.2
164.81406	4.4
177.01929	12.2
178.02417	5.1
179.03448	7.3
187.04065	7.1
188.04277	5.3
191.05678	8.5
195.03030	12.4
196.03484	13.5
209.11842	13.0
227.12886	13.3
231.10190	8.6
232.10539	7.1
234.08572	9.1
238.04675	8.7
239.05342	10.2
245.13951	13.3
279.64426	5.0
293.10178	5.6
294.10666	19.7
295.11133	6.1
336.11670	7.9
456.29910	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	456.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72791	4.6
52.13142	4.2
53.91455	4.3
55.95956	4.7
59.01380	94.4
61.98838	11.2
68.82295	4.3
71.01381	39.3
71.05061	5.6
72.99300	5.5
73.02964	11.3
81.03459	6.0
83.01398	11.6
85.02968	10.3
89.02449	26.3
95.01405	5.7
97.06583	5.6
101.02451	24.1
103.18286	4.2
108.02187	10.4
109.02958	67.5
110.03274	26.5
113.02467	20.6
114.02840	10.1
117.03448	7.1
119.05055	8.1
133.02972	10.6
134.03790	31.8
135.04124	15.6
136.01662	100.0
136.04857	6.5
137.02321	48.2
138.02855	23.3
145.02948	26.6
146.03288	8.9
149.02434	6.2
151.04033	26.4
152.04407	14.0
161.04533	9.9
162.02789	5.2
163.04039	10.2
164.81406	4.4
177.01929	12.2
178.02417	5.1
179.03448	7.3
187.04065	7.1
188.04277	5.3
191.05678	8.5
195.03030	12.4
196.03484	13.5
209.11842	13.0
227.12886	13.3
231.10190	8.6
232.10539	7.1
234.08572	9.1
238.04675	8.7
239.05342	10.2
245.13951	13.3
279.64426	5.0
293.10178	5.6
294.10666	19.7
295.11133	6.1
336.11670	7.9
456.29910	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	457.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09192	2.0
53.39828	1.7
55.04156	1.5
59.01385	5.2
68.85957	1.8
69.14665	2.7
69.15065	15.4
71.01361	4.7
101.02467	2.9
113.02465	6.6
117.03494	2.7
119.05035	40.1
121.02966	100.0
122.03298	2.4
133.06563	2.1
141.65817	2.1
145.02948	11.6
161.06094	3.8
163.04022	35.4
181.05086	26.9
190.17839	1.9
205.05060	6.7
213.09090	1.6
223.06134	5.8
235.06105	24.3
253.07141	5.2
265.07138	17.4
283.08252	5.6
297.10007	1.8
457.13568	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	457.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01454	1.7
54.24058	1.8
59.01375	7.7
70.84984	4.7
71.01382	8.1
74.12379	1.7
83.01362	1.9
85.02956	2.9
87.67903	1.9
89.02462	2.9
91.55173	2.5
101.02472	5.9
102.52505	1.9
110.62785	2.3
113.02467	13.9
119.05039	70.2
120.05402	2.3
121.02969	100.0
122.03317	4.8
145.02969	6.7
161.06120	3.7
163.04022	71.3
164.04419	3.3
181.05084	22.0
191.07071	2.4
205.05042	4.9
223.06152	6.1
235.06090	15.7
253.07343	3.3
254.14998	2.2
261.12500	2.2
265.07196	11.4
283.08221	3.3
325.09512	3.0
375.22845	2.0
411.18588	3.3
457.13684	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	457.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71121	1.8
59.01135	1.9
59.01390	26.8
69.28772	15.3
71.01391	15.8
72.99325	2.3
73.02947	3.8
73.93186	1.8
79.76347	1.6
80.02654	2.5
81.03467	39.6
83.01363	2.7
83.05030	2.6
85.02931	6.2
89.02452	11.6
93.03462	26.6
95.01448	1.9
95.05040	4.8
97.02928	3.5
97.06596	2.3
101.02466	10.3
105.03452	5.5
107.01380	2.8
108.02188	2.8
109.02961	2.2
113.02461	7.1
119.03520	2.5
119.05042	2.9
121.02965	23.4
121.83186	1.7
122.03725	6.0
123.04539	100.0
124.04887	2.2
125.02457	2.5
129.01906	2.2
135.04523	5.7
137.02441	5.2
139.04004	4.0
145.02931	4.0
149.01273	3.9
149.02451	69.3
150.02808	2.4
161.02411	5.3
161.04567	2.6
162.24316	2.0
166.02744	2.9
167.03514	88.1
179.03522	3.8
235.09721	5.8
243.66565	1.9
258.08224	1.9
281.71811	2.0
285.44608	1.8
296.11288	1.9
343.09259	2.1
371.13486	2.2
411.18823	3.2
413.14575	82.0
414.14862	8.6
457.13208	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	457.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19212	0.6
59.01377	1.8
69.50345	3.5
70.71374	0.5
71.01382	2.0
73.02943	0.9
74.06890	0.5
85.02951	0.6
89.02470	1.0
99.00907	1.6
101.02458	0.8
103.04675	0.5
113.02512	0.6
119.05040	100.0
120.05375	3.2
135.04523	0.5
149.02449	0.5
152.70514	0.5
161.02458	1.7
161.06149	0.6
163.04024	50.9
164.04362	1.7
205.04919	1.2
306.00812	0.6
306.28781	0.5
325.09277	0.8
344.41641	0.5
457.13550	54.3
458.13937	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	457.157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	3.9
57.03454	5.8
59.01387	52.7
65.86674	4.0
70.90664	4.4
70.90974	5.7
71.01391	100.0
71.04997	4.2
73.02953	23.1
82.75160	3.0
83.01398	14.6
85.02969	34.8
88.36198	3.1
88.47305	3.0
89.02460	28.1
90.97118	3.4
93.03487	22.1
93.89901	3.3
94.85738	2.9
95.01402	7.6
97.02966	3.3
99.00906	4.8
101.02454	61.9
113.02464	37.9
115.04032	52.0
119.03512	8.2
121.02919	4.5
137.02478	18.1
155.12315	3.2
159.03088	4.4
161.04585	41.0
174.99168	3.2
179.05557	5.0
217.00279	5.4
233.08282	4.6
233.10344	24.0
256.98285	4.0
258.67163	3.4
277.09320	97.9
277.41034	4.2
278.09723	5.7
299.06424	5.9
315.03940	6.6
347.96594	3.4
375.06158	7.4
392.30389	3.4
397.04202	10.1
457.05258	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	457.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	6.5
59.01383	100.0
61.98822	14.8
62.85255	6.6
63.04095	5.3
69.13695	51.9
69.14123	10.3
71.01395	37.9
73.02952	11.8
75.58138	5.9
85.02946	17.3
87.00882	8.7
89.02451	17.5
101.02456	21.2
105.57101	6.9
109.02929	8.5
113.02464	15.2
114.25989	5.8
118.98079	6.0
123.04489	6.3
133.02948	15.0
134.03766	11.7
136.01660	9.8
137.02470	46.8
145.02882	8.1
151.04036	6.5
161.04584	6.8
177.01917	10.4
179.03763	7.7
188.03580	6.6
191.05626	14.8
203.57877	6.5
212.44673	6.4
252.62149	6.5
289.16672	14.9
421.20782	33.2
457.18613	26.5
457.24411	24.4
457.29828	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	457.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
69.72108	1.4
69.72514	1.0
75.76451	0.4
76.04736	0.4
99.92595	3.3
100.93369	1.2
115.92088	100.0
116.92098	4.6
116.92880	4.9
119.00706	0.4
132.92348	1.2
148.57545	0.5
172.95483	7.4
255.04929	0.5
283.26535	0.9
383.19003	1.0
409.20599	1.1
457.22821	5.5
458.22992	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2445
Annotation	(-)-Tetrazomine
Peak:m/z	Relative Intensity
57.03440	1.7
59.01385	100.0
61.98837	1.6
71.01385	19.3
71.01769	0.8
71.31686	1.2
73.02952	7.1
83.01398	3.0
83.05058	1.5
85.02966	8.6
87.00858	1.5
89.02438	7.2
95.01398	2.0
99.00905	3.4
99.49805	1.1
101.02455	12.3
111.00867	1.1
112.25177	0.9
113.02455	7.6
114.89282	0.9
119.03490	2.6
125.09715	0.9
133.02930	1.8
134.03781	1.8
135.04572	1.7
136.09416	0.9
137.02481	1.6
139.29771	1.0
143.03647	0.9
161.04599	5.0
161.05865	0.9
172.75482	0.9
173.04634	1.2
178.87639	1.0
191.05498	4.5
209.43399	0.9
253.18010	1.0
279.19565	1.4
309.18164	1.2
397.22156	5.7
415.23465	1.4
426.84244	1.0
439.23398	2.8
457.17413	3.4
457.24429	57.5
458.24969	8.5
458.30704	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	457.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54050	0.5
57.03442	0.9
59.01385	100.0
60.01725	0.9
68.30780	0.4
68.32639	0.4
71.01389	11.9
72.66829	0.4
72.99341	0.5
73.02952	3.9
83.01418	1.7
83.05046	0.5
85.02962	6.7
87.00907	1.1
89.02450	2.7
95.01423	1.1
98.23543	0.4
99.00925	1.8
101.02441	5.3
112.01696	0.5
113.02467	7.3
119.03536	1.1
133.02969	0.6
135.04590	0.6
140.40248	0.5
143.03532	0.8
146.08299	0.5
159.03110	0.8
161.04584	3.2
184.54901	0.5
191.05751	1.6
215.17041	0.5
221.11990	0.9
226.08971	0.5
228.81494	0.6
253.18221	1.1
397.22418	6.0
398.22720	0.6
415.23291	4.7
457.24741	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	457.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11539	0.6
50.94711	0.7
57.03444	0.8
57.18276	0.6
59.01384	100.0
60.01714	1.0
61.98834	2.2
69.09624	5.5
69.10043	1.1
71.01379	6.0
73.02958	2.3
81.03481	0.7
83.01417	2.2
85.02971	2.8
89.02475	2.4
101.02454	4.2
109.02989	0.9
113.02470	3.6
119.03541	0.8
133.03081	0.9
134.03766	1.3
136.01717	2.2
137.02460	2.9
151.04044	0.8
161.04631	1.6
191.05687	1.9
191.14503	1.7
235.13539	2.3
236.17690	0.8
397.22491	2.1
415.23611	1.9
440.00198	0.7
457.20966	1.2
458.31320	1.3
474.94196	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.1
59.01383	100.0
60.01717	0.7
61.63018	0.5
61.73373	0.5
61.98833	2.1
64.81970	0.5
71.01384	5.1
71.32050	0.7
73.02959	2.6
83.01418	1.7
84.81181	0.6
85.02967	3.0
87.00890	1.1
89.02499	1.7
93.03476	0.5
95.01410	0.6
97.06610	0.5
98.41132	0.5
98.91304	0.5
99.00881	0.6
101.02462	3.1
108.02171	0.6
109.02988	1.4
113.02462	3.2
119.03512	0.5
130.52892	0.5
133.03018	0.8
134.03777	1.4
135.04228	0.6
136.01660	2.5
137.02519	3.1
161.02516	0.8
161.04567	1.4
172.78020	0.5
174.04933	0.5
177.01961	0.9
191.05602	1.2
191.14523	0.6
235.13565	2.2
260.70883	0.5
270.57315	0.5
397.22409	1.7
415.23520	1.5
420.94168	0.5
457.21140	1.5
458.14514	0.5
458.21057	0.7
458.31500	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
63.85174	9.8
71.01385	50.3
71.29987	25.3
73.02963	36.4
83.01369	15.5
89.58143	11.6
89.77197	10.1
101.02457	38.8
126.99586	18.3
158.58939	10.5
163.75409	10.7
211.05432	28.9
223.13417	11.5
225.06877	89.7
226.54919	11.5
227.44196	14.7
253.06371	32.4
273.53595	13.0
298.90536	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	458.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	8.0
59.01382	99.8
61.98829	13.6
69.36015	34.8
71.01386	43.7
73.02954	27.0
76.42796	4.2
83.01373	10.7
85.02958	19.8
87.00874	5.2
88.44949	4.8
89.02444	28.9
99.07355	4.8
101.02446	28.2
113.02446	18.6
114.01866	5.1
119.03529	5.6
125.02448	6.8
131.03461	5.6
133.02933	7.8
135.04506	9.7
137.02475	26.0
154.71109	5.2
161.02411	8.3
161.04539	9.0
165.12822	13.7
178.02527	4.4
183.13956	8.4
191.05621	17.4
201.15059	7.5
209.11842	21.5
227.12909	28.1
237.14914	11.0
245.13788	7.2
327.08835	5.0
388.12463	13.0
415.23141	22.2
417.21194	7.0
458.31140	100.0
459.15970	8.6
459.22107	46.0
459.31763	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	458.2399
Annotation	Theopederin E
Peak:m/z	Relative Intensity
57.03460	3.8
59.01385	100.0
61.98830	15.4
69.03461	11.2
71.01387	30.8
73.02940	6.6
74.95642	5.0
85.02956	13.2
89.02443	19.9
90.98621	6.1
93.03481	6.8
95.01423	4.2
97.06611	4.2
98.64010	4.1
99.00862	7.2
101.02466	21.5
102.12550	3.9
110.56474	4.1
113.02463	12.1
113.09686	4.3
119.03519	9.8
119.05038	9.0
121.48881	4.0
123.08174	6.8
135.46208	4.9
137.02455	7.1
150.05629	11.7
161.04572	13.6
161.09706	5.0
161.45518	4.3
163.11302	8.6
165.21417	4.5
179.10835	10.8
191.05536	5.4
197.11836	61.2
219.13892	12.8
223.09706	9.9
235.08286	5.2
237.14938	11.9
241.10829	8.9
253.09572	4.4
263.12857	4.9
267.12347	11.2
279.16162	5.1
355.17764	11.9
386.17285	11.5
397.21674	5.7
398.15424	5.5
399.16757	45.2
400.16959	6.4
412.02765	4.5
458.24380	6.6
458.31012	9.1
459.22687	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	458.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74618	3.5
59.01381	100.0
60.01717	6.9
60.60265	3.1
61.98824	7.4
67.27349	3.0
69.73259	17.0
71.01411	18.1
73.02939	5.3
73.23369	2.9
85.02956	12.4
87.00854	4.1
89.02437	15.2
93.03433	3.6
101.02453	11.7
113.02465	10.5
119.03486	3.9
129.85683	2.9
131.07114	4.1
132.29607	3.3
133.02931	11.5
134.03754	6.0
135.04567	7.0
135.83377	3.0
137.02452	6.8
145.03035	4.1
151.45576	3.3
161.04521	4.5
163.04063	4.2
165.12895	3.5
178.02654	4.4
179.03555	3.8
187.04129	3.7
191.05638	7.5
200.04811	4.4
227.12720	4.0
251.07103	3.9
334.32043	4.0
444.04709	3.1
458.31238	26.9
459.22159	6.6
459.31543	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	459.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90004	0.7
54.59044	0.7
57.00639	0.7
59.01384	92.2
60.01733	1.2
71.28091	1.4
76.75839	0.8
90.97188	0.7
99.13729	0.7
115.02524	8.5
117.00465	11.3
118.00616	0.8
132.98206	2.2
141.00488	0.8
144.99942	2.5
156.99933	1.8
157.03574	1.6
159.01505	93.6
159.96608	1.4
160.01607	7.5
161.01321	0.9
169.07739	0.8
172.99437	2.7
174.99269	22.3
177.98631	0.8
187.00984	2.1
188.00919	0.8
188.42403	0.8
201.02570	17.1
217.00320	40.4
225.03378	0.8
232.98358	1.8
259.01556	2.2
274.99384	6.1
298.99176	1.8
301.02695	52.2
302.02835	8.9
316.00040	0.9
317.00427	100.0
318.00632	8.3
332.98447	1.0
417.00443	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	5.6
68.30201	1.0
71.01378	2.9
73.02953	41.1
74.21335	0.9
75.00883	1.7
85.02966	2.2
89.02460	3.6
90.68613	0.9
91.50722	0.9
96.14143	1.1
99.00895	6.5
101.02438	2.3
106.90144	1.1
113.02423	1.9
116.97268	3.8
117.01950	100.0
118.02262	1.5
118.05095	6.4
135.04514	1.4
179.03539	1.0
279.10867	1.5
317.38657	1.0
341.10956	2.0
386.19125	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	459.1515
Annotation	Paeonolide
Peak:m/z	Relative Intensity
55.01862	0.6
59.01385	21.8
60.01721	0.8
63.58749	0.5
71.01389	8.8
71.29140	1.0
72.99323	1.0
73.02951	2.8
80.38136	0.6
83.01397	0.7
85.02968	3.3
89.02444	3.0
93.03469	6.3
97.02929	0.8
99.00896	6.5
101.02451	3.7
113.02462	3.4
116.92889	0.6
117.03493	1.5
119.03470	0.7
119.05048	5.0
120.05357	0.8
121.02964	0.9
121.06602	8.4
122.03760	0.7
131.03540	0.9
135.04521	0.9
145.02985	4.6
150.03259	9.3
161.02449	1.1
161.04581	1.1
163.04030	5.1
165.05586	100.0
166.05882	3.7
191.05614	0.7
207.06628	1.5
252.61554	0.6
255.88278	0.5
270.29294	0.6
306.11386	0.6
321.07544	0.6
327.10895	2.5
348.54794	0.6
431.29581	0.6
459.15082	75.0
460.15503	7.8
461.38251	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.152
Annotation	Paeonolide
Peak:m/z	Relative Intensity
59.01388	32.0
61.70290	1.9
61.98842	2.5
71.01394	16.8
71.05035	3.5
71.27883	3.2
73.02948	10.6
73.63669	2.2
80.90481	2.2
83.01401	3.7
85.02967	6.1
89.02445	10.6
93.03492	2.3
101.02462	14.9
108.02165	2.2
108.05212	2.0
109.02866	1.8
113.02477	13.9
115.04039	10.1
117.03499	5.2
119.03623	2.5
119.05049	35.5
120.05383	7.0
121.02977	100.0
121.05686	2.9
122.03297	6.5
123.04539	2.3
133.02977	3.0
133.06648	3.8
135.04565	10.1
137.02463	8.4
143.03552	3.0
145.02982	33.3
161.02464	7.1
161.04671	3.5
161.06133	9.8
163.04037	33.8
164.04364	5.2
165.04407	3.3
165.05714	9.9
177.01945	5.9
177.05664	5.8
179.03548	5.2
181.05081	5.0
205.05176	12.4
223.06111	4.1
233.05005	2.2
235.06105	9.0
258.49255	2.3
265.07202	12.4
267.19705	2.3
295.10370	13.3
337.11475	11.5
341.78375	2.9
372.54062	2.2
441.14090	21.4
442.14325	4.0
459.14679	30.6
460.15610	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	459.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.3
59.01376	5.3
61.98823	3.0
63.33401	1.6
70.66376	3.1
71.01411	1.7
72.99720	1.6
97.02953	29.9
97.06586	3.8
100.12724	1.9
111.04528	2.7
123.08171	2.2
125.09710	3.4
145.03053	2.0
147.04588	4.4
165.05559	5.1
179.14459	2.9
181.11668	1.7
181.54291	1.9
186.74594	2.0
201.37424	1.9
223.13399	63.8
224.13708	3.1
243.76245	1.7
267.12390	100.0
268.12683	10.8
273.94168	1.8
311.11383	7.3
327.19720	3.8
415.17416	4.4
478.86429	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.5
58.35688	1.0
59.01371	7.2
59.52558	1.1
61.98818	1.9
69.60988	6.6
76.27304	1.1
81.03434	1.2
83.05048	1.6
97.02956	27.6
97.06575	4.3
97.07146	1.1
119.05093	1.2
121.02951	1.9
123.08161	4.0
125.09746	3.0
125.44389	1.2
139.76816	1.1
147.04526	3.7
152.39282	1.1
163.11330	1.9
165.05560	3.7
179.14459	2.5
205.12341	3.4
223.13399	55.1
224.13753	2.6
267.12384	100.0
268.12646	8.1
280.20950	1.2
311.11319	7.4
327.19412	3.0
415.17606	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51625	2.5
51.03092	2.5
59.01380	100.0
60.01727	3.6
61.98821	14.6
71.01376	20.3
72.99307	4.1
73.02952	4.9
75.28378	3.4
85.02956	6.7
89.02448	5.5
92.08546	2.3
93.03492	3.3
97.73061	2.4
99.00864	4.1
101.02453	10.7
107.67136	2.9
113.02464	6.9
119.03539	3.5
133.02965	4.7
135.04497	3.9
136.06892	2.8
145.02890	3.4
157.07622	2.8
161.04601	9.1
179.10907	3.1
191.05545	4.1
223.13390	2.6
365.18796	3.8
373.28528	2.8
399.23410	4.2
407.96054	3.0
459.20544	4.5
459.26410	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	459.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99877	0.5
58.26942	0.5
59.01384	100.0
60.01694	1.2
61.98838	1.5
69.23862	4.7
71.01401	5.3
73.02980	0.6
83.01419	0.8
84.40948	0.6
85.02971	1.5
87.00903	0.6
89.02448	6.2
101.02449	4.5
113.02465	2.8
117.03558	0.9
119.03492	4.2
133.02983	1.3
145.03040	1.6
152.03659	0.6
161.04637	1.5
179.05684	1.3
187.04120	0.8
286.72296	0.7
298.75357	0.7
302.74292	0.6
399.24185	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.4
57.03454	0.3
59.01382	100.0
60.01705	0.5
61.81323	0.3
62.92899	0.3
66.80413	0.3
69.10288	2.7
71.01387	6.5
73.02959	1.2
83.01399	0.8
85.02949	3.3
87.04554	0.8
89.02473	1.5
95.01412	1.0
99.00912	0.9
101.02451	2.4
113.02449	7.0
113.03156	0.5
119.03542	0.4
119.21986	0.3
137.26559	0.3
143.03564	0.3
161.04564	3.4
163.34566	0.3
234.46515	0.3
255.19714	0.4
357.04587	0.3
362.81003	0.3
399.23874	5.1
417.25018	2.3
459.21777	0.3
459.31665	0.4
471.74661	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.5
57.03455	0.5
58.00600	0.5
59.01386	100.0
60.01732	1.1
61.98846	0.5
66.26567	0.3
69.03465	0.3
71.01392	7.0
73.02951	1.8
83.01422	1.2
85.02957	2.2
87.00913	0.5
89.02451	2.3
93.54715	0.3
95.01372	0.4
99.00919	0.8
101.02450	4.0
101.06076	0.8
113.02451	3.2
119.03522	0.7
125.02467	0.5
141.07013	0.3
143.03563	0.6
161.04567	2.5
179.05605	0.7
255.19649	0.6
297.20874	0.5
378.83917	0.3
381.22900	0.6
399.24066	2.6
417.24887	2.5
446.73932	0.3
459.20990	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2605
Annotation	Cosmosporaside B
Peak:m/z	Relative Intensity
55.01873	0.6
57.03446	1.2
58.00597	0.8
59.01385	100.0
60.01705	0.9
65.30741	0.4
71.01391	14.1
73.02955	6.5
80.96634	0.4
83.01406	2.1
85.02962	4.8
87.00858	1.4
87.04521	0.9
89.02451	4.8
95.01413	1.5
95.95335	0.5
97.02977	0.5
99.00874	1.6
101.02451	10.9
111.00863	1.0
113.02463	6.0
119.03509	1.6
125.02448	1.0
143.03496	1.8
157.51321	0.4
161.04575	5.2
179.05602	0.6
179.14226	0.5
196.87534	0.4
227.16483	0.5
235.94688	0.4
239.16469	0.6
255.19662	1.2
329.19427	0.7
381.22684	0.7
399.23843	11.2
400.24225	0.8
417.25009	10.5
418.25278	1.1
423.22464	0.6
425.26990	0.5
455.68451	0.5
459.25751	0.5
468.64651	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67131	0.5
55.01876	0.9
57.61158	0.5
59.01385	100.0
60.01723	0.6
61.54992	0.5
62.29531	0.5
66.63557	0.6
69.06673	5.1
69.07097	1.2
71.01385	6.3
73.02960	2.3
83.01408	1.3
85.02985	2.4
89.02474	3.1
95.01403	1.0
101.02436	4.6
101.06114	1.7
113.02471	3.5
119.03547	0.7
143.03520	1.0
159.03012	0.7
161.04636	2.2
239.97395	0.5
297.20761	0.8
399.23883	3.5
417.25003	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	459.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81671	0.5
55.01893	0.6
57.03454	0.8
59.01384	100.0
60.01704	0.7
61.98835	2.4
67.48232	0.4
69.03966	3.7
69.04376	1.2
71.01386	10.4
73.02945	3.2
79.95701	0.4
80.09765	0.5
83.01423	1.1
85.02956	4.8
87.00882	1.0
89.02470	1.7
95.01412	0.9
97.02944	0.5
99.00914	1.3
101.02451	8.1
111.00905	0.6
113.02437	4.7
122.02544	0.5
132.96857	0.5
135.04568	0.8
143.03526	0.4
159.03047	1.2
161.02570	0.7
161.04575	9.3
179.03647	0.4
179.05716	0.4
223.13472	1.1
287.08603	0.5
340.80933	0.5
399.23892	14.2
400.24283	1.0
429.05130	0.5
459.16168	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01700	4.5
61.98829	9.4
69.74621	8.2
69.75034	11.2
71.01386	28.9
73.02938	8.8
82.04530	3.1
83.01412	4.2
84.30511	3.2
85.02947	9.9
87.00903	4.8
89.02432	18.2
101.02451	27.4
109.06593	5.0
111.04527	3.7
113.02493	8.3
119.03493	6.0
133.02930	3.9
156.56284	4.0
161.02481	3.9
161.04559	18.2
207.10234	13.9
225.11267	11.8
228.02023	3.5
253.09200	3.3
417.24902	23.6
418.25525	7.8
460.16006	3.8
460.23093	4.6
461.20090	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	460.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61139	7.9
56.17333	9.0
59.01390	81.4
59.89272	7.4
62.15928	7.6
69.28316	64.8
71.01385	62.4
73.02968	17.2
84.63765	7.5
85.02937	31.7
89.02460	30.8
99.00867	11.3
99.87459	9.1
101.02468	41.5
113.02456	24.5
117.62553	7.3
119.03515	13.2
160.63223	9.6
161.04578	44.8
195.10277	11.3
198.91449	7.9
207.10312	23.8
225.11313	36.2
268.37131	8.2
313.13138	10.0
348.24283	8.4
417.24988	100.0
461.20132	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	460.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	9.9
59.01381	100.0
61.98831	25.0
66.42544	7.9
67.92992	9.3
69.05952	82.1
71.01382	80.3
72.90731	8.1
73.02950	10.9
85.02952	32.1
89.02450	29.8
99.00889	10.5
101.02455	53.0
109.06579	20.9
113.02435	33.6
119.03506	27.9
123.55270	8.6
161.04630	46.6
179.05602	14.4
202.51340	9.4
207.10251	60.2
225.11302	26.6
417.24881	60.8
447.69852	10.2
461.19962	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	460.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13058	3.0
56.77081	3.2
59.01385	39.5
64.48795	3.5
71.01393	31.7
73.02949	10.0
73.12693	2.9
85.02959	7.8
89.02459	18.7
97.02969	8.5
99.00909	5.6
101.02446	22.8
109.06615	35.9
113.02486	10.9
119.03528	6.0
135.08141	5.9
161.04620	19.6
161.09718	4.7
163.11333	26.7
181.12379	6.4
198.43404	3.5
207.10281	100.0
225.11337	62.8
253.09268	23.9
417.24921	28.5
461.20148	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1434
Annotation	Exoticin
Peak:m/z	Relative Intensity
59.01380	43.0
69.63670	12.8
69.64061	18.3
71.01393	41.2
73.02955	7.3
85.02926	8.0
86.95851	5.8
89.02458	37.0
90.81072	5.8
93.03493	9.1
98.22437	9.2
99.00852	8.3
101.02437	16.6
108.93731	6.8
113.02454	17.6
119.03490	22.4
150.30389	6.1
178.95036	7.0
179.05617	24.4
221.37897	6.3
222.73128	6.8
238.97540	6.5
299.00671	7.3
340.78940	6.0
387.14182	40.3
401.06006	8.8
419.07211	16.9
425.16714	33.1
461.06696	19.4
461.14230	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	461.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	4.1
63.53117	3.1
67.74484	3.6
68.75436	4.2
78.95926	11.7
82.03008	5.1
83.90117	3.2
95.05041	5.6
97.06603	10.9
105.03477	7.3
107.05045	7.9
108.02197	6.9
109.02943	7.0
109.06602	4.5
112.44304	3.8
116.05078	36.9
117.03471	11.5
121.02981	20.9
128.05074	7.7
130.06644	35.8
133.02956	26.2
134.03780	28.6
135.04547	89.7
139.02705	3.6
142.06668	7.6
143.43001	4.6
144.04591	5.4
145.02940	8.9
147.04570	19.0
148.04131	6.3
148.05328	80.8
149.04781	5.3
150.03239	11.8
152.99622	20.0
156.06918	21.2
157.07722	100.0
159.04510	4.1
160.04083	14.6
161.02469	77.6
161.04843	12.8
161.06099	7.4
162.03223	11.6
162.05627	46.4
163.04034	7.6
163.06389	5.6
166.71101	4.3
174.05708	6.9
176.03545	23.9
178.05132	21.2
183.05702	4.1
189.04341	19.4
190.05113	71.6
191.05907	9.1
198.08127	4.3
202.05132	12.4
204.06688	39.6
225.11400	5.6
229.06209	11.4
231.10326	12.8
259.09576	8.6
260.13229	4.8
276.10367	17.3
277.11139	16.1
288.12360	6.9
291.11426	4.4
301.09692	4.7
319.10898	92.6
320.11591	61.0
332.11444	14.9
334.58090	3.7
363.09958	11.8
399.17181	4.8
417.19110	10.4
461.16495	58.0
461.22031	22.4
462.16898	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	461.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.9
69.14021	14.9
69.14443	13.6
75.13901	3.8
77.86574	3.0
78.00954	2.9
107.05041	3.7
109.02981	8.5
116.05099	21.1
116.89518	4.3
117.03516	4.8
118.05506	3.5
121.02962	9.8
128.05090	6.5
130.06624	16.8
133.02963	16.7
134.03764	21.2
135.04546	71.7
137.02448	7.6
142.06665	4.2
144.04593	6.2
145.02982	5.0
147.04543	16.2
148.05315	71.1
148.06441	4.5
149.04782	6.0
150.03235	27.0
152.99657	4.1
154.06657	6.2
156.06943	16.9
157.07729	67.9
159.04523	5.4
160.04108	8.5
160.05339	6.2
161.02463	68.7
161.04828	11.9
161.06065	5.4
162.03200	15.9
162.05588	36.0
163.04111	5.8
163.06343	6.7
176.03499	19.0
178.05113	20.7
183.05673	4.7
189.04372	13.8
190.05103	96.8
191.05786	4.8
194.02206	4.5
202.05162	20.8
204.06654	60.3
207.10309	11.6
225.11264	6.8
231.10201	7.3
275.09625	8.0
276.10355	18.3
277.11090	19.9
318.09943	4.4
319.10876	100.0
320.11627	45.0
341.17798	6.4
352.10394	4.5
363.09903	9.4
369.16858	4.3
417.19150	9.4
443.20581	6.7
461.16409	11.7
461.22397	44.8
462.22723	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	461.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01907	0.8
59.01383	19.1
59.01668	1.1
71.01385	7.0
73.02962	2.0
78.76673	0.5
80.02708	1.1
81.03457	2.7
81.95856	0.6
83.01424	0.7
83.05025	2.8
85.02981	2.5
87.00912	1.3
89.02452	6.6
93.03488	0.6
97.02957	7.4
97.06635	0.6
99.00914	1.6
101.02447	7.5
101.43792	0.5
107.05064	0.7
109.06599	35.5
110.03781	1.7
110.06969	1.0
113.02460	3.2
116.94218	0.6
119.03522	1.6
121.06638	2.3
125.09744	0.6
135.08153	4.2
136.05336	1.7
142.02763	2.0
150.44037	0.5
157.15567	0.6
161.04535	2.8
161.09743	1.5
163.11299	20.7
164.11732	0.6
177.20734	0.5
179.05626	0.7
179.10794	1.1
181.12347	6.1
183.24777	0.5
189.09271	2.2
207.10278	100.0
208.10588	5.2
209.11830	0.9
225.11337	55.6
226.11707	3.6
235.08199	1.2
253.09305	18.9
275.32635	0.6
289.72009	0.6
299.14944	1.9
461.20184	42.4
462.20663	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	461.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	31.1
61.25241	1.1
69.02006	0.9
69.32638	3.3
69.33067	4.4
71.01389	8.6
73.02941	1.9
78.11942	1.1
81.03452	2.5
83.05015	3.9
85.02962	3.3
88.78004	1.0
89.02461	8.7
97.02969	6.4
99.00902	1.3
101.02470	10.0
102.44511	1.0
109.06599	35.3
110.03727	1.1
113.02477	4.9
119.03545	1.4
121.06603	1.8
135.08136	3.6
136.05348	1.7
142.02730	1.6
161.04564	4.7
163.11296	21.5
164.11571	1.7
173.70178	1.2
179.05548	2.3
181.12383	5.3
189.09245	2.4
207.10275	100.0
208.10622	6.6
225.11349	57.0
226.11743	1.7
251.45528	1.1
253.09305	26.8
254.09702	2.1
299.14899	1.4
378.31406	1.1
400.18158	1.2
461.20236	43.7
462.20541	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61680	0.8
58.64120	0.8
59.01385	17.2
62.65145	0.6
63.78321	0.7
65.66681	0.6
69.41573	4.8
71.01387	6.3
73.02946	1.4
80.02670	0.9
81.03470	2.5
83.01442	0.9
83.05048	2.7
85.02969	2.6
87.00887	1.1
89.02451	6.6
95.05027	1.0
97.02953	5.7
97.06619	0.8
99.00891	1.3
101.02443	7.0
109.06602	31.4
110.03758	2.0
110.06903	0.8
113.02466	3.3
115.54580	0.6
119.03529	1.8
121.06628	2.8
123.80864	0.6
135.08153	3.8
136.05299	1.4
142.02715	2.1
142.29131	0.7
161.04567	2.3
161.09755	2.1
163.11299	19.2
164.11610	1.2
165.09145	0.7
173.79929	0.9
179.05675	1.0
179.10803	0.9
181.12416	4.1
189.09200	2.0
207.10280	100.0
208.10609	5.4
225.11331	55.4
226.11679	3.1
231.67116	0.7
235.08342	1.0
243.12349	1.0
253.09334	17.8
254.09563	0.8
299.15128	2.6
461.20316	41.7
462.20737	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	461.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.3
59.01384	100.0
70.11929	6.2
71.01392	43.8
72.99294	3.5
73.02944	6.2
73.40352	1.5
83.01389	2.3
85.02959	12.2
87.00903	4.6
89.02450	37.8
93.03482	2.3
95.01411	2.0
96.96020	5.4
99.00894	4.5
101.02449	20.4
102.96850	1.7
109.06584	6.7
111.04536	3.6
111.17808	1.7
113.02461	21.1
113.06113	3.1
119.03531	14.7
123.04492	3.4
131.03548	2.6
136.05293	3.5
143.03458	3.3
146.92635	1.7
148.67868	1.6
149.04468	2.4
151.07664	15.8
161.02483	2.0
161.04575	18.3
163.07668	28.5
167.03505	9.8
168.07938	3.8
169.08730	2.3
179.05635	16.5
179.10814	9.7
193.33060	1.5
203.10785	5.3
221.11852	48.2
222.12236	2.8
263.45639	1.7
341.08820	2.2
383.17136	4.6
410.87491	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	461.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01712	0.8
61.70710	0.7
61.98838	1.2
70.93725	0.9
71.01388	9.5
72.99328	1.0
73.02945	1.0
83.01380	1.2
85.02975	1.9
86.09998	0.7
87.00890	0.7
89.02451	11.9
89.02947	1.0
97.03014	1.0
100.09340	0.6
100.15813	0.6
101.02457	6.2
109.06620	1.1
113.02483	4.4
119.03517	6.0
121.03027	1.8
135.04549	1.0
143.03566	0.9
148.05371	1.0
157.07785	1.6
161.02515	1.8
161.04630	1.4
162.83960	1.1
163.11424	1.0
164.83633	1.2
167.50084	0.7
173.06175	0.9
175.04092	0.8
179.05659	2.5
187.07695	1.1
201.05727	0.8
203.07195	1.5
205.08672	0.9
207.10283	6.6
225.11407	4.3
229.08723	0.9
230.09567	0.8
231.10405	0.8
232.07416	1.5
247.09828	2.8
253.09508	0.7
279.11252	0.7
306.96902	0.7
319.10922	1.6
401.25723	2.6
461.20950	5.5
462.20901	0.8
479.56857	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.9
60.01741	1.1
61.01809	1.6
61.98838	100.0
71.01398	2.2
73.25694	0.7
74.02469	3.9
77.30434	0.7
85.03002	0.9
133.02991	2.0
208.05536	0.7
209.11932	1.4
225.11296	0.8
450.79553	0.8
462.27072	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	462.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37992	10.1
59.01366	35.0
69.22321	10.2
71.01383	18.7
78.95889	17.4
109.06596	23.0
113.02415	11.8
125.55109	10.2
141.60121	11.4
150.26495	10.9
152.99559	41.0
163.11348	12.5
164.11642	13.0
207.10278	62.2
208.10635	54.7
220.01891	10.0
225.11258	24.8
226.11632	31.1
238.23941	11.4
278.26160	9.7
297.17950	10.9
300.02835	13.5
301.03711	10.7
309.83057	9.7
410.72214	12.9
462.20465	100.0
463.08850	15.8
463.22198	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.2
57.03448	0.7
59.01385	9.6
61.98838	2.6
67.46918	0.4
69.16472	0.5
69.97142	0.5
71.01391	7.6
72.99329	0.6
73.02959	2.6
74.02481	88.4
75.02819	1.5
81.65203	0.4
83.01398	2.6
85.02959	3.6
86.00088	0.5
87.00887	0.8
89.02468	1.5
95.01403	0.6
97.02948	0.7
98.21751	1.2
98.32307	0.5
99.00899	1.0
101.02447	4.9
108.04577	0.5
111.00838	0.6
113.02464	1.6
133.02989	1.2
141.83458	0.5
150.05659	1.2
176.03529	1.1
178.05136	0.7
191.15898	0.5
199.13290	0.7
209.11830	1.0
213.10393	1.1
225.11272	0.7
227.12938	0.6
254.21327	0.6
256.23004	0.7
282.20850	0.8
300.02783	1.0
300.21805	1.4
308.24640	0.6
421.24390	1.2
444.26019	2.9
462.27121	100.0
463.08954	1.2
463.14807	1.1
463.27328	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71370	0.4
55.01867	1.8
57.03438	1.2
58.00597	1.1
58.05773	0.4
58.81611	0.4
59.01386	19.2
63.02422	0.5
65.00330	1.9
69.03475	0.5
69.07682	3.9
71.01392	24.5
71.24585	0.4
72.99287	0.4
73.02960	6.4
83.01392	3.6
85.02957	8.9
87.00874	1.0
89.02457	13.8
91.01879	0.4
95.01407	2.1
97.02940	0.8
98.22599	0.7
99.00903	3.0
101.02455	14.5
101.03119	0.9
107.01415	2.8
108.02182	2.0
109.02979	2.3
109.03627	0.4
113.01731	0.6
113.02465	8.5
119.03516	4.0
121.02959	2.0
125.02441	1.3
131.03511	1.5
135.00914	1.5
137.02477	0.5
143.03493	1.9
148.01706	1.7
149.04558	2.9
151.00394	12.6
159.03003	1.5
159.10213	0.4
161.04582	16.7
162.04903	0.7
163.00404	3.1
164.01176	0.9
169.01378	0.6
175.04027	0.5
178.99899	6.5
179.05568	1.0
183.04489	0.9
187.03952	0.6
191.05588	0.8
192.00687	0.6
199.04045	1.1
203.03470	0.8
211.04071	1.2
215.03372	0.9
216.04256	0.7
226.02718	2.8
227.03540	3.3
227.12895	0.8
228.04085	0.5
229.01527	0.5
229.05057	0.5
243.02997	11.2
244.03540	1.0
245.04555	1.4
254.02237	2.6
255.02997	27.7
256.03458	2.1
271.02505	64.2
272.02914	5.6
273.03934	1.3
283.02515	1.0
299.02045	1.7
300.02777	100.0
301.03506	55.7
301.07153	0.9
302.03915	3.2
331.17661	16.8
332.18112	1.4
343.04251	0.7
410.22580	0.4
420.50177	0.4
440.10004	0.5
463.08871	65.1
463.21701	3.8
464.09210	7.1
464.22101	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.3
56.17601	0.5
57.03448	5.2
58.00597	3.6
59.01382	72.1
61.98857	0.7
67.01888	0.8
69.03459	2.8
70.05591	2.6
71.01385	100.0
72.01742	1.3
72.99316	4.8
73.02953	22.5
74.99138	0.8
75.00881	1.8
81.03473	2.0
83.01389	9.7
83.01844	0.9
85.02957	33.2
87.00860	3.5
89.02450	61.8
90.02798	0.8
93.03480	1.0
95.01389	6.9
97.02952	2.1
98.22462	0.6
99.00888	10.6
101.02448	58.3
102.02784	0.9
113.02457	36.4
114.02798	0.7
115.04050	0.7
116.01876	0.6
117.03543	0.7
119.03503	16.3
119.04961	3.9
120.99673	0.9
125.02464	5.4
127.15514	0.6
129.01974	1.8
131.03520	8.5
133.03000	0.7
134.03722	3.1
137.02397	0.7
139.00366	0.7
143.03520	6.9
145.02963	2.6
149.04568	10.4
149.05954	1.3
150.03215	0.8
159.03015	7.6
161.02408	3.0
161.04565	62.2
163.04004	4.8
169.12335	2.3
178.02728	1.5
179.05614	4.7
181.12399	0.9
191.05624	5.1
193.05064	3.3
199.13409	5.3
202.34770	0.7
205.03513	2.5
209.11780	1.6
211.13434	0.6
227.12918	16.5
228.13162	0.9
233.06662	1.5
253.09253	2.3
253.14397	1.7
271.02493	0.7
293.08777	1.7
300.02716	1.5
301.03275	0.8
331.17621	64.8
332.17938	3.9
425.14520	4.1
463.08643	0.7
463.15579	1.6
463.21716	22.3
464.15747	1.0
464.22107	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	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68171	1.0
55.01879	4.2
55.40391	1.1
57.03451	6.1
58.00600	3.3
59.01386	75.1
60.01705	1.8
66.88850	1.0
69.03448	1.9
71.01392	100.0
71.29186	1.2
71.29562	1.9
72.99302	5.8
73.02572	1.8
73.02953	23.4
75.00883	1.4
81.03462	1.6
83.01400	9.7
84.02180	1.4
84.11003	0.9
85.02958	33.5
87.00888	5.6
89.02455	62.1
93.03483	1.6
95.01408	6.0
97.02965	3.8
99.00887	10.7
99.04592	1.3
101.02458	63.4
102.02801	1.6
112.06718	1.1
113.02462	36.2
114.02754	1.0
117.03465	3.7
119.03526	15.3
119.05035	17.0
125.02456	4.6
129.01974	1.7
131.03487	9.2
133.02969	1.6
134.03760	8.9
138.07158	1.1
143.03529	5.6
145.02972	12.1
149.02489	1.3
149.04549	11.9
149.06079	2.4
150.03244	1.9
151.04018	1.6
159.03006	7.6
161.02425	3.5
161.04576	60.4
161.53871	1.0
162.04922	2.1
163.04028	22.6
164.04385	1.5
169.12357	1.6
178.02721	3.3
179.05659	3.3
191.05603	4.1
193.05099	9.9
199.13379	8.8
205.03520	1.7
207.06667	1.5
209.11943	1.4
215.77408	1.0
227.12936	27.6
228.13161	1.2
253.09274	4.4
253.14549	1.4
265.14499	1.9
271.02524	2.7
293.08954	2.7
300.02762	3.2
301.03464	3.2
331.17636	59.5
332.17935	4.6
425.14551	16.8
426.14658	1.5
427.15042	2.9
463.08804	2.1
463.15527	2.0
463.21600	20.6
484.98959	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	0.6
58.00605	1.2
59.01384	12.9
61.98856	0.9
64.57885	0.4
71.01385	5.9
72.99333	1.2
73.02945	2.0
74.99102	0.9
76.26735	0.4
80.02699	1.8
81.03476	1.4
82.23627	0.5
83.01381	1.1
83.05029	5.7
84.00919	0.6
84.02187	2.0
85.02968	2.1
86.81499	0.4
87.00892	1.2
89.02463	5.7
93.03473	0.5
95.01366	0.6
95.05053	0.8
97.06596	0.6
99.00925	0.7
101.02462	7.4
107.01429	0.7
108.02216	0.8
109.06564	0.5
109.73180	0.4
113.02434	2.4
119.03529	1.8
135.08170	0.8
136.99179	1.1
145.02945	0.7
151.00423	3.1
161.02446	0.5
161.04596	2.2
163.00415	0.8
163.11314	4.2
165.12863	3.1
169.03340	0.5
172.08827	3.0
178.99937	1.3
179.05603	1.2
181.12384	0.9
183.13992	0.6
191.05583	0.6
191.10809	1.3
192.79126	0.4
199.13419	7.3
207.10300	0.8
209.11850	100.0
210.12164	7.0
216.07793	1.3
227.03625	0.8
227.12907	40.4
228.13242	2.3
235.08295	0.6
241.14514	0.7
243.03046	3.1
245.04541	0.6
253.09311	17.0
255.03008	6.7
263.12997	0.6
265.14536	1.1
271.02505	17.2
272.02908	1.7
299.01886	1.1
300.02774	27.0
301.03506	14.0
301.16629	1.2
302.03918	1.5
317.10724	0.5
375.19016	0.6
463.08771	15.8
463.20670	4.5
464.09085	1.6
464.21365	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.6
58.95751	0.5
59.01388	100.0
60.01733	1.0
61.98837	1.5
62.13705	0.6
65.09133	0.4
67.32191	0.5
69.46136	3.0
71.01390	7.0
73.02976	1.3
83.05047	2.1
85.02952	1.3
87.23871	0.4
89.02456	7.5
91.41631	0.5
97.04166	0.6
101.02470	2.8
113.02470	3.3
113.06091	0.7
118.19460	0.5
119.03537	3.2
131.03526	0.6
137.09756	1.0
139.07669	0.5
143.03554	1.0
161.04596	2.8
161.09764	0.5
165.09225	0.9
170.14273	0.5
179.05634	4.5
182.29492	0.6
187.11446	0.7
205.12422	1.9
223.13403	6.4
223.15240	0.6
233.84962	0.5
235.00812	0.5
237.38756	0.5
241.14589	0.9
265.07465	0.6
272.08459	0.5
273.92474	0.5
306.24124	0.5
403.19971	0.9
432.17935	0.5
463.22479	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86120	0.6
53.02135	0.6
57.03443	1.7
57.82029	0.6
59.01381	100.0
61.98847	0.7
66.54441	0.6
70.64672	1.1
71.01380	8.7
73.02956	2.0
85.02970	2.2
89.02444	9.3
101.02438	4.9
113.02484	4.0
119.03535	3.4
125.08788	0.5
126.38403	0.6
134.03705	0.7
143.03552	1.0
161.04541	4.2
175.07710	1.9
179.05605	4.4
180.66071	0.7
205.12346	4.4
223.13393	4.7
241.14568	1.5
252.65253	0.6
403.19968	0.9
423.82507	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.219
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41081	0.5
56.76951	0.5
57.03459	1.2
58.59261	0.4
59.01384	100.0
60.01714	1.2
61.98854	0.7
67.19309	0.4
69.46975	1.3
69.47387	1.7
71.01388	5.2
73.02946	1.3
79.23385	0.5
85.02977	1.2
89.02457	7.2
94.19490	0.4
96.96024	0.8
101.02450	3.5
106.74670	0.6
109.35122	0.4
110.39294	0.6
113.02492	2.5
119.03520	3.8
135.08250	0.6
143.03543	0.7
147.08255	0.7
149.04608	0.5
161.04587	2.8
175.07719	1.4
179.05673	5.2
189.09236	0.8
205.12369	4.5
223.13391	4.1
274.66122	0.5
349.41403	0.5
463.22250	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50411	0.8
52.69667	0.7
55.01859	1.1
57.03430	0.9
59.01382	100.0
69.03443	1.2
69.26182	6.2
71.01389	21.1
73.02956	4.1
75.00856	1.0
83.01395	4.0
85.02953	12.2
87.00874	2.2
89.02439	2.8
95.01379	1.6
97.02952	2.0
99.00890	5.2
101.02452	6.1
111.00864	0.8
111.04467	0.7
113.02463	9.3
125.02437	3.2
127.03987	1.0
127.11322	1.9
131.03525	7.9
143.03474	2.2
161.04573	3.5
175.23563	0.7
191.05745	1.1
215.05609	16.3
271.15375	1.0
275.07587	1.5
289.16595	5.0
301.20016	1.0
364.68063	0.8
393.61359	0.8
403.19724	6.1
421.20609	2.9
447.43146	0.8
465.62885	0.7
473.65042	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	20.1
61.98837	1.0
64.36860	1.1
69.03480	1.5
71.01388	14.6
71.13699	2.4
72.99297	2.8
73.02946	5.3
75.00880	100.0
76.01208	1.6
81.03471	1.6
83.01406	1.2
83.05049	1.2
85.02962	6.9
87.00873	2.1
89.02455	7.9
99.00887	2.1
101.02454	9.7
111.05714	1.0
113.02480	5.1
119.03543	2.8
119.04979	1.2
125.02448	2.3
131.03564	2.3
149.04565	1.2
161.02335	1.3
161.04602	2.0
167.10773	1.2
191.05624	1.4
209.11842	17.6
215.05554	2.5
227.12856	2.5
233.06560	1.3
252.31467	1.0
253.09322	2.9
336.08334	1.1
403.19751	1.1
463.21750	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	463.2338
Annotation	Chagreslactone
Peak:m/z	Relative Intensity
51.13633	0.3
57.03444	2.0
59.01383	2.3
65.03954	0.6
69.03429	0.4
70.35024	0.8
71.01382	0.6
73.02908	0.3
74.47698	0.3
78.95896	0.4
80.02667	1.0
81.03453	3.9
83.05025	3.4
92.06406	0.3
93.03471	0.7
95.05039	3.1
97.06599	5.6
100.20895	0.3
106.04264	0.5
107.05030	0.5
108.02191	3.3
108.12970	0.3
109.02958	1.4
109.06581	1.3
110.87283	0.3
111.08159	0.8
119.05045	0.4
121.02969	2.1
121.06609	0.5
122.03731	0.8
123.04514	0.3
123.08173	3.5
125.09737	20.0
126.10079	0.6
127.07678	0.4
133.06570	0.6
134.03780	0.6
135.04520	0.6
135.08157	2.1
136.01656	0.3
137.09790	0.4
145.06619	0.4
147.11812	1.3
149.09685	0.9
153.09166	0.6
159.04427	0.4
161.09721	0.6
163.03966	0.8
163.07672	0.5
163.11310	3.3
165.12791	1.1
166.87892	0.4
171.10278	2.7
173.09741	0.8
175.11278	4.0
176.11607	0.5
177.09229	0.7
187.09787	0.5
189.12822	0.9
191.10785	7.4
193.12312	2.6
203.14487	0.5
205.12375	0.6
207.13974	0.4
209.11835	25.5
210.12227	1.5
214.10031	0.3
217.12428	0.4
217.31384	0.3
219.10298	6.2
219.13791	0.6
220.10692	0.4
221.12012	0.5
223.13394	0.9
233.11786	0.7
235.13284	0.8
237.11337	6.9
238.07848	0.3
247.13399	0.6
249.15135	0.5
251.12941	1.0
261.11356	0.5
261.15155	0.3
263.12936	0.7
263.93549	0.3
265.14737	0.3
273.22232	1.4
283.20761	0.9
293.14005	2.5
295.22778	1.0
299.20096	1.0
301.21777	1.7
311.15070	1.0
317.21222	2.8
318.21573	0.3
325.18179	0.7
327.19687	2.4
333.20813	0.4
334.14136	0.3
343.19147	2.4
345.20703	7.2
346.21228	0.6
353.17514	0.7
355.41028	0.3
361.20258	3.4
371.18588	3.8
372.19055	0.6
389.19669	3.1
401.23550	0.4
417.22604	0.6
419.24417	5.1
420.24698	0.6
435.23947	7.8
436.23767	0.7
445.22314	22.8
446.22827	2.3
463.23401	100.0
464.23721	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	463.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.2
58.00600	1.8
59.01382	86.1
61.98849	1.6
69.31451	1.8
69.31862	5.8
71.01389	21.8
72.99303	2.5
73.02938	2.2
78.95869	1.1
83.01383	2.0
83.05046	1.6
85.02960	6.8
85.20548	1.0
87.00900	1.2
89.02451	20.3
97.03011	1.0
98.21728	1.2
99.00915	1.1
101.02445	16.2
106.92955	0.9
109.06622	4.7
110.03735	1.0
110.06979	2.3
113.02470	9.4
119.03516	6.6
123.08202	1.3
131.03487	1.2
153.09264	1.3
161.04587	2.4
163.11345	2.9
164.11613	1.2
164.92256	1.0
165.12920	1.5
179.05673	1.6
188.13820	1.0
191.05621	1.5
199.13368	4.9
207.10283	12.2
208.10657	6.9
209.10480	1.2
209.12180	8.0
225.11365	7.0
226.11728	4.0
227.12877	12.7
253.09262	5.2
254.09834	1.8
255.02954	2.3
255.09892	2.2
265.14404	6.5
271.02548	3.2
283.19293	2.7
300.02713	5.6
301.03580	2.8
301.20013	1.8
445.24686	4.7
463.09155	5.6
463.25757	100.0
464.26013	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	464.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.0
59.81587	0.5
61.98833	100.0
67.85059	0.5
69.21066	1.0
69.21471	3.4
71.01392	2.4
85.02997	0.7
89.02470	2.1
98.21790	1.1
101.02445	0.7
103.66227	0.6
113.02470	1.1
118.24833	0.5
119.03567	0.9
120.19607	0.5
126.99575	0.9
129.05635	1.4
133.01613	0.5
148.01736	0.6
148.91016	0.9
161.04587	0.7
167.10757	0.7
170.98611	1.5
174.73555	0.6
176.01218	2.5
178.74181	0.6
193.38654	0.5
210.09344	0.7
250.94286	1.1
266.91547	0.9
301.88663	2.0
405.21570	0.7
412.01392	0.6
463.94040	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	464.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85759	0.8
59.01384	15.6
60.01706	1.7
61.98837	100.0
62.53369	0.8
63.51094	0.9
71.01392	6.2
71.28192	1.0
71.28605	1.1
82.37747	0.7
85.02984	1.5
89.02460	7.1
101.02451	3.0
108.86777	0.8
113.02462	2.4
119.03522	2.6
128.06277	0.8
129.57101	0.9
135.04582	1.6
136.33975	0.9
161.04584	1.2
170.98621	1.5
405.21344	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	464.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72327	0.7
59.01388	16.5
61.98835	100.0
68.59608	0.6
69.15052	2.9
69.15473	3.6
70.49454	0.7
71.01376	1.5
72.99289	1.0
73.02982	0.7
85.02976	1.2
89.02435	0.8
96.96011	0.8
101.02441	1.1
106.36877	0.8
113.02479	0.9
127.05180	0.7
133.03014	1.2
145.03027	0.8
158.63246	0.7
168.67531	0.7
191.05681	0.8
207.10498	0.7
209.11914	1.4
210.12244	0.7
267.11499	0.8
315.18201	1.4
338.45102	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28478	6.0
59.01384	88.6
60.01702	7.3
61.98830	26.1
71.01393	83.1
71.29203	12.4
72.01702	8.0
72.99297	9.5
73.02966	13.9
83.01402	9.7
83.05056	12.5
85.02953	37.1
87.00908	7.1
87.96602	7.3
89.02453	41.8
89.02955	6.5
99.00883	8.5
101.02454	50.8
105.95885	6.2
111.00935	6.3
113.02470	27.8
125.02512	7.3
131.03539	18.4
133.02934	8.8
135.04530	6.5
149.04562	12.1
161.02473	11.5
161.04610	18.2
163.19261	5.9
191.05655	14.7
284.19284	6.8
289.16647	26.7
421.20847	98.9
422.21307	12.6
453.70752	6.9
462.25797	7.2
464.25763	100.0
465.27197	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91961	3.7
59.01385	24.0
71.01023	6.1
71.01390	52.2
73.02950	16.1
73.03323	3.5
83.01393	9.3
85.02930	20.1
89.02449	12.6
95.01380	5.1
99.00909	6.3
99.78911	4.4
101.02445	33.2
113.02477	22.8
159.02942	5.7
161.04547	28.9
187.31091	4.2
191.05605	7.9
289.16611	100.0
290.17090	8.5
367.09409	4.4
418.25281	10.8
421.20804	52.0
422.20749	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	465.125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07045	3.0
50.25953	3.7
50.97977	3.2
55.53034	3.0
59.01382	46.3
62.40050	3.4
71.01382	8.8
71.29281	4.9
72.99313	26.6
81.03445	4.7
85.02956	19.7
89.02446	7.0
99.04517	8.6
101.02453	9.6
111.00928	20.4
111.04542	15.9
113.02483	3.9
114.55394	3.7
119.03532	4.9
127.04015	11.2
129.01962	25.1
129.05594	35.1
155.03510	49.3
155.84302	3.5
173.04552	100.0
179.05678	5.2
243.03757	5.0
291.07278	23.7
331.89920	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	465.1894
Annotation	Sphenalactone D
Peak:m/z	Relative Intensity
53.66084	4.9
59.01389	86.6
60.56419	5.1
61.98834	100.0
71.01372	25.9
75.00860	6.6
78.91885	26.4
83.01369	5.5
83.05026	6.3
84.22166	5.9
85.02930	15.9
87.00874	6.5
89.02444	29.4
93.03520	5.6
95.01385	5.8
100.64079	5.9
101.02440	17.3
108.93138	5.7
113.02454	17.4
119.03516	7.5
119.04995	7.7
125.02470	6.4
138.43021	5.2
145.03008	10.2
145.35016	5.4
145.94171	5.1
153.90956	5.5
161.04576	8.9
191.05620	42.8
247.13525	5.4
465.18924	82.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.2
56.15323	0.7
57.03447	0.9
58.00597	1.1
59.01089	1.7
59.01385	32.2
61.98822	3.8
65.45542	0.8
69.03452	0.8
69.36807	2.7
69.37244	3.6
71.01386	30.6
72.99314	1.7
73.02952	10.2
75.00877	1.4
78.91897	26.9
83.01381	3.6
85.02962	12.8
85.06570	1.0
87.00881	2.8
89.02455	17.8
95.01390	1.9
97.02940	1.0
97.06612	1.0
99.00890	32.8
101.02458	24.8
102.02740	1.0
111.00890	2.0
113.02462	16.5
117.01963	3.9
119.03523	7.9
119.08615	1.0
121.02977	3.8
131.03484	1.7
135.04486	1.3
139.95421	0.9
143.03479	1.5
145.02928	2.9
149.04550	0.8
149.12282	0.9
159.03072	1.4
159.04393	1.1
159.10294	4.0
161.02461	2.1
161.04543	8.0
163.02744	0.7
163.04041	4.2
185.06044	2.2
187.04062	0.9
189.01949	1.3
191.05605	1.9
191.26106	1.0
213.05502	1.2
225.05524	1.1
231.06564	1.4
234.15012	0.8
240.80101	0.8
273.07571	1.0
285.07675	1.2
286.08160	0.9
293.12363	2.9
314.02554	0.8
321.15564	100.0
322.16046	7.3
351.07297	1.5
365.18124	3.4
421.17123	1.0
465.18839	6.6
466.20132	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	465.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02856	0.8
51.29446	0.9
57.03452	5.0
57.79625	0.7
58.00589	1.0
59.01385	100.0
60.01738	0.7
61.98839	1.0
68.14834	0.7
69.08028	5.3
69.08448	2.1
71.01386	18.7
72.99348	0.9
82.73158	0.7
85.02977	2.4
85.74374	0.7
87.00883	1.0
89.02453	28.9
95.01398	1.3
96.95563	0.7
101.02462	11.7
102.11595	0.7
113.02463	8.1
119.03507	14.1
120.05834	1.0
131.03537	1.1
134.07436	1.6
137.09798	1.4
139.07681	1.1
143.03564	2.4
149.04575	1.5
149.09743	16.8
149.10866	1.3
153.09203	5.1
161.04572	6.0
167.10791	31.8
168.11308	0.7
179.05618	10.6
207.13890	1.0
225.14949	4.7
243.16019	5.8
271.86050	0.8
405.21268	14.3
405.25928	1.0
406.21771	0.9
423.45163	0.9
459.32053	0.8
479.96735	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	7.6
59.01382	100.0
61.98831	31.4
70.31098	5.6
70.31461	5.0
71.01385	49.5
72.99329	2.9
73.02951	4.8
78.95961	2.4
83.01384	3.0
85.02950	10.3
87.00862	7.1
89.02452	57.2
91.06519	2.7
95.01406	2.7
96.54620	3.1
98.21870	3.3
101.02454	32.0
112.05338	2.6
113.02439	18.2
117.03462	2.8
119.03496	21.6
119.04960	2.9
121.02969	26.0
131.03468	3.8
135.04482	3.3
143.03516	4.6
145.02950	8.1
149.09735	22.6
159.04457	2.7
161.02454	2.6
161.04579	6.0
163.03963	4.2
163.42029	2.5
167.10776	45.9
179.05632	15.6
179.06960	2.6
182.95831	2.5
191.05644	10.1
225.14915	11.0
231.06514	2.6
285.07547	3.9
293.12415	3.4
303.09018	3.4
350.33939	2.6
405.21234	33.1
406.21637	3.5
439.58136	2.9
448.15805	4.4
465.23596	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	465.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.9
57.93132	1.5
58.00605	3.3
59.01382	100.0
61.01807	2.1
61.98836	63.0
69.30277	13.2
71.01390	36.0
72.99303	2.8
73.02946	2.9
83.01392	2.8
85.02967	7.8
87.00889	4.9
89.02451	50.9
93.03467	1.8
94.44951	1.7
95.01398	3.5
101.02442	24.2
113.02445	15.9
118.71041	1.8
119.03510	24.8
127.07629	1.8
131.03479	2.7
135.04518	5.4
143.03488	5.2
149.04553	2.2
149.09711	11.8
159.02980	2.1
161.04616	12.1
167.10785	21.7
175.02574	2.6
179.05634	11.9
209.72495	1.9
217.29327	1.8
225.14923	3.4
243.16014	3.0
244.82332	2.3
285.07733	2.4
303.12143	4.1
405.21313	35.4
406.21698	2.5
463.02505	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23886	2.3
55.14517	2.1
55.26800	2.0
55.93429	2.2
57.03455	3.4
59.01387	100.0
61.98842	16.9
64.92381	2.3
69.45461	15.3
71.01388	34.8
72.99331	2.6
73.02957	2.5
80.37834	2.2
81.03463	6.6
85.02968	7.9
86.95812	2.5
87.00872	3.0
87.57461	2.5
89.02448	39.9
99.00900	2.6
99.04525	13.6
101.02461	21.0
113.02458	18.0
119.03529	17.2
125.09740	2.6
126.99558	16.4
135.04495	2.4
143.03543	4.1
148.01657	2.6
149.09740	10.6
153.09227	3.8
161.04631	12.1
167.10805	19.8
170.98564	28.0
176.01123	2.7
179.05623	16.3
225.14807	2.4
243.16035	5.3
303.88165	4.6
405.21350	20.5
406.21689	2.9
465.93756	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.5
57.03457	1.4
59.01384	100.0
60.01734	0.6
69.03465	1.4
71.01389	15.5
73.02952	4.1
81.03477	1.0
83.01398	4.7
85.02460	1.0
85.02956	8.2
87.00880	3.0
89.02492	1.8
95.01421	1.7
97.02979	1.7
98.22510	1.4
99.00928	1.9
101.02446	7.1
109.02996	0.9
111.00932	0.8
113.02460	9.5
121.03033	0.9
124.01711	0.8
125.02473	2.3
131.03563	1.2
143.03589	0.9
161.04620	2.2
167.03612	0.7
191.05791	0.7
215.05727	2.0
225.19879	0.7
233.06622	0.8
273.17136	1.0
291.18195	6.4
292.18607	0.7
389.56406	0.7
405.21323	15.7
406.21808	1.5
423.22464	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	465.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
57.03459	1.9
59.01383	100.0
60.01722	0.4
61.98845	0.9
69.03467	1.7
71.01383	16.5
72.99323	1.4
73.02947	3.8
83.01387	4.5
83.05051	0.5
85.02956	10.3
87.00882	3.7
89.02466	1.7
93.42731	0.4
95.01400	1.2
95.05073	0.6
97.02981	1.9
99.00887	2.0
101.02454	7.9
104.12159	0.4
105.03475	0.9
109.03024	1.2
111.00909	1.1
111.04530	0.8
113.02459	9.7
117.03500	0.7
123.04556	0.8
124.01724	0.8
124.27190	0.4
125.02483	1.3
127.04068	0.6
127.11349	0.6
130.83473	0.4
131.03534	1.3
133.02937	2.1
135.04553	0.8
139.04027	1.2
143.03572	1.5
145.03062	0.8
146.18362	0.4
159.03128	0.6
161.02533	0.9
161.04587	2.6
167.03554	0.5
177.02107	0.5
191.05724	0.9
208.29764	0.4
212.49925	0.4
215.05592	0.9
217.15945	0.4
223.17253	0.4
237.51486	0.4
267.16180	1.2
273.17194	1.0
291.18164	7.7
333.19659	0.8
376.34027	0.4
405.21332	20.3
406.21851	1.5
423.22470	3.3
465.21381	0.5
465.28302	0.6
466.14981	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55656	0.4
55.01882	1.6
56.86469	0.4
57.03446	1.2
59.01383	65.1
60.01700	0.5
69.17251	3.8
70.51748	0.3
71.01388	10.7
72.99332	0.7
73.02953	5.8
75.00870	0.6
82.01488	0.4
83.01398	3.8
85.02964	7.4
86.00084	0.6
87.00896	1.1
89.02455	2.5
95.01415	0.8
99.00903	2.1
101.02452	13.0
111.00910	1.6
113.02462	5.0
113.03181	0.6
117.34247	0.4
124.93294	0.4
129.01950	0.6
131.03539	0.5
132.44472	0.4
149.04567	1.0
159.03116	0.8
161.04579	1.2
183.15349	0.4
191.05615	0.5
243.19679	0.9
285.20807	0.6
303.21771	0.8
333.18820	0.4
405.25021	4.9
406.25330	0.5
447.26071	6.3
448.26678	1.0
465.27048	100.0
466.27399	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	466.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48187	1.7
55.01904	1.7
57.03458	3.5
59.01122	2.5
59.01386	23.0
60.14282	1.6
60.99313	8.0
61.98836	2.4
67.01891	14.9
68.99815	1.5
69.03460	3.1
69.13002	1.5
69.13352	16.5
71.01392	31.9
73.02953	10.0
75.00870	2.1
81.03476	2.5
83.01396	4.4
83.05052	3.2
85.02950	15.2
87.00888	23.1
89.02460	6.8
93.03468	100.0
95.01453	1.8
97.02948	2.8
97.78508	2.0
99.00899	5.7
101.02442	20.6
109.68880	1.6
111.04529	14.4
111.36063	1.9
113.02467	12.7
129.01953	3.4
130.25772	1.6
133.03003	4.0
134.03755	14.5
135.04549	12.6
137.02455	2.6
143.03513	2.5
161.04553	10.8
173.04559	62.9
177.01942	3.0
178.02745	7.6
179.03503	3.4
191.05627	11.4
261.18658	2.9
291.18155	63.8
292.18665	4.9
346.05212	1.7
351.07303	2.4
352.07883	2.5
423.22458	28.8
424.22723	2.2
449.14502	44.9
467.15594	26.6
467.22806	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	467.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31280	1.1
57.03444	2.0
59.01382	10.5
60.99306	5.5
61.98834	2.9
67.01888	9.7
68.35429	1.2
69.03443	3.6
71.01379	13.3
71.30353	1.8
71.35649	1.3
73.02950	2.4
81.03469	3.6
85.02952	7.1
87.00883	19.4
89.02451	1.7
93.03466	100.0
94.03779	2.4
96.95992	1.4
97.06598	1.2
99.00881	1.8
101.02450	3.6
105.93053	1.4
109.02963	2.4
111.04533	13.5
113.02447	3.9
119.03531	1.4
127.04084	1.8
129.01955	2.0
133.02968	2.3
134.03749	26.3
135.04501	6.0
136.01630	1.7
137.02467	10.3
151.04002	2.2
151.07700	3.3
152.46265	1.4
154.02773	1.7
155.03517	2.9
156.93356	1.4
161.04706	1.8
171.02940	2.7
173.04570	71.0
178.02675	6.6
179.03439	3.1
190.07472	2.4
191.05643	33.8
201.12813	3.1
203.10786	2.3
204.11549	8.8
219.13887	10.2
225.82611	1.2
229.08688	1.8
231.10231	2.9
232.08591	2.6
245.11815	5.2
263.12918	30.4
264.04984	1.4
264.13205	2.8
275.09277	3.8
286.09555	2.0
287.12894	2.9
293.10361	7.9
316.43939	1.3
335.20718	2.7
370.09305	2.1
384.20776	1.3
449.14377	12.0
467.15637	35.1
467.27438	5.7
468.16000	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	467.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31280	1.1
57.03444	2.0
59.01382	10.5
60.99306	5.5
61.98834	2.9
67.01888	9.7
68.35429	1.2
69.03443	3.6
71.01379	13.3
71.30353	1.8
71.35649	1.3
73.02950	2.4
81.03469	3.6
85.02952	7.1
87.00883	19.4
89.02451	1.7
93.03466	100.0
94.03779	2.4
96.95992	1.4
97.06598	1.2
99.00881	1.8
101.02450	3.6
105.93053	1.4
109.02963	2.4
111.04533	13.5
113.02447	3.9
119.03531	1.4
127.04084	1.8
129.01955	2.0
133.02968	2.3
134.03749	26.3
135.04501	6.0
136.01630	1.7
137.02467	10.3
151.04002	2.2
151.07700	3.3
152.46265	1.4
154.02773	1.7
155.03517	2.9
156.93356	1.4
161.04706	1.8
171.02940	2.7
173.04570	71.0
178.02675	6.6
179.03439	3.1
190.07472	2.4
191.05643	33.8
201.12813	3.1
203.10786	2.3
204.11549	8.8
219.13887	10.2
225.82611	1.2
229.08688	1.8
231.10231	2.9
232.08591	2.6
245.11815	5.2
263.12918	30.4
264.04984	1.4
264.13205	2.8
275.09277	3.8
286.09555	2.0
287.12894	2.9
293.10361	7.9
316.43939	1.3
335.20718	2.7
370.09305	2.1
384.20776	1.3
449.14377	12.0
467.15637	35.1
467.27438	5.7
468.16000	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	468.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.2
60.01723	0.4
61.01826	0.5
61.98835	100.0
64.95261	0.5
67.94678	0.4
70.16368	0.4
70.28722	0.4
71.01398	2.4
71.29880	0.8
72.01736	0.5
85.02962	1.0
89.02466	2.6
90.02802	0.7
96.03412	0.4
101.02479	1.6
113.02464	1.0
119.03548	0.9
123.06203	0.4
133.02972	0.6
146.08284	0.6
161.02509	0.5
161.04594	0.8
168.11125	0.6
267.96072	0.5
277.22183	0.5
309.09573	0.9
337.18887	1.4
467.27509	0.5
468.15790	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	6.0
59.01384	69.0
61.98830	16.3
69.89056	4.3
71.01389	74.0
71.28604	5.1
72.00924	8.3
72.99312	7.1
73.02950	5.6
81.03442	6.1
85.02958	13.8
89.02450	55.5
93.03471	10.1
95.63641	4.1
97.02946	4.3
99.00889	16.3
101.02450	33.8
109.02951	8.5
113.02445	27.0
117.02032	4.1
119.03506	16.1
121.02966	6.5
125.02460	17.2
126.90398	5.4
127.04041	4.2
131.03531	4.3
137.02461	4.4
139.04024	38.5
147.04520	35.8
153.01965	88.1
161.04588	13.3
163.03946	5.0
164.07184	100.0
171.03052	10.4
179.05647	5.8
193.01485	5.7
225.03865	6.7
237.79337	4.2
245.08223	5.8
287.07751	21.1
293.08987	6.8
315.07379	22.4
333.08264	84.6
334.08957	4.7
341.11066	5.8
373.07758	29.3
412.91580	4.6
433.13507	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	469.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40937	1.5
55.01906	1.5
57.03453	10.8
59.01385	35.5
60.33646	1.5
61.98829	5.3
66.03454	1.5
69.12862	11.9
71.01389	22.4
72.99326	2.9
73.02945	3.6
74.02478	2.3
75.00857	1.9
79.66206	1.4
81.03474	1.7
82.95430	7.0
83.01385	5.0
85.02955	15.7
87.00873	9.7
89.02454	12.7
93.03455	4.4
95.05047	1.7
96.01760	1.7
96.96045	1.9
97.02945	3.4
98.22624	1.6
99.00900	3.0
99.04556	2.8
101.02438	16.7
111.00917	2.5
113.02463	42.5
114.05664	3.6
117.03492	25.4
119.03548	4.4
119.05045	62.7
120.05315	2.6
121.02992	4.9
123.04547	3.6
125.02498	3.5
132.02243	4.3
133.02974	34.7
135.04517	9.1
137.02441	2.9
143.03465	1.6
145.02969	78.2
146.03331	2.9
157.07782	1.7
159.04532	4.3
160.01717	2.2
161.02463	100.0
161.04585	3.4
161.06081	2.7
161.58124	1.8
162.02818	3.7
163.04028	59.4
164.04424	4.2
173.06070	2.1
175.03940	2.3
178.08986	1.7
179.03474	10.7
187.04060	15.3
187.07666	10.2
191.03818	2.2
191.05582	8.5
192.06049	4.7
193.06213	2.9
195.48729	1.6
200.04706	1.7
202.06424	4.7
203.03566	1.9
205.05074	3.7
213.05724	1.9
213.09254	2.7
215.07173	5.2
231.10291	8.3
257.08203	5.9
263.12967	2.1
265.14377	4.1
275.09381	4.7
289.07217	2.3
299.09396	3.4
306.59250	1.5
307.12326	3.4
317.10422	3.2
323.07693	8.5
325.09277	3.1
331.11935	3.9
390.78662	1.9
409.15002	3.0
437.10825	46.6
438.11282	4.7
469.12698	13.0
469.22855	6.5
470.15302	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	469.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51680	3.1
50.58683	3.0
57.03429	4.4
59.01384	33.4
61.98827	40.4
67.15098	3.2
69.13638	24.7
71.01382	19.0
71.12051	2.9
73.02942	5.2
75.17146	3.1
76.07816	3.1
82.02986	12.9
83.05033	3.2
85.02956	9.3
87.00851	5.3
89.02449	12.6
93.03469	7.4
95.52424	2.9
101.02457	11.5
108.04616	4.1
113.02480	15.3
113.99615	3.6
117.03494	28.2
118.98093	3.8
119.03526	4.7
119.05022	7.0
120.04565	7.6
120.47181	3.1
121.04134	3.6
133.02988	6.1
136.07680	5.4
137.02396	4.7
145.02966	100.0
146.03381	3.7
147.03258	4.1
148.04076	42.4
149.04836	17.3
150.05618	53.8
154.05148	5.8
161.02417	9.7
161.04738	5.4
163.02769	6.5
163.04034	9.8
164.03523	8.3
166.08797	4.8
173.03461	21.4
174.04346	53.7
174.05656	3.8
175.05125	14.2
179.05562	4.1
183.78583	2.8
187.03998	8.5
187.07652	5.6
189.06677	28.2
190.07480	41.9
191.08240	5.3
203.08296	3.9
214.11125	6.4
215.08272	8.1
216.10440	3.2
230.10423	3.4
231.07738	29.4
232.08557	34.4
233.09280	12.3
242.08160	3.7
243.07648	7.4
244.08527	11.9
245.09198	3.9
285.08771	6.3
286.09619	9.0
303.09857	8.7
304.10687	6.9
315.13425	23.2
340.13055	18.0
349.07162	6.7
369.14526	5.3
398.17184	66.6
406.14905	23.7
410.17154	8.1
421.22455	3.7
428.18134	9.5
434.17264	6.5
452.18402	17.1
469.16379	18.7
470.19376	63.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1487
Annotation	2-(1,3-Benzodioxol-5-yl)-3,5,6,8-tetramethoxy-7-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
51.45880	0.8
55.01866	0.8
57.01772	0.7
57.03439	2.6
59.01384	11.5
61.98808	2.0
69.03465	1.8
69.41942	4.3
70.50320	0.7
71.01384	5.8
71.05022	2.8
73.02940	1.4
73.36053	0.8
73.44886	0.8
78.95912	56.7
80.96437	0.9
83.01398	1.2
83.05012	1.1
85.02950	2.4
86.64900	0.8
89.02451	1.9
93.03475	1.5
96.95996	1.0
96.96979	4.1
97.06580	1.2
101.02435	3.6
104.64285	0.8
108.84099	0.8
113.02444	6.9
117.03484	1.0
119.05028	2.2
125.09776	1.0
129.01938	1.3
133.02934	5.3
135.04495	1.5
137.09692	2.3
145.02963	5.1
150.98027	1.2
152.99600	42.3
153.12866	2.8
161.02452	9.5
161.09686	1.1
163.04008	3.2
171.00667	14.9
179.03470	0.9
179.10783	4.8
187.04004	1.6
187.07614	1.2
191.05577	1.9
197.11844	61.2
198.12167	3.1
202.06393	1.0
221.15472	2.4
223.09798	1.4
227.03250	3.1
241.10832	37.6
242.11215	2.3
245.04306	2.2
247.13297	1.0
263.12848	0.8
264.13242	1.0
265.14447	7.8
292.31708	0.9
323.07550	1.1
377.10092	3.7
395.11194	3.3
427.19495	1.3
437.10699	3.9
469.14835	100.0
469.20630	6.4
470.14917	9.5
470.20883	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86572	3.6
57.03428	5.6
59.01383	93.9
61.98817	17.3
63.96211	4.4
71.01034	5.5
71.01391	80.3
71.28831	6.4
71.37020	3.6
73.02950	13.6
83.01347	3.6
85.02935	18.3
89.02449	100.0
91.69097	4.3
93.92485	4.7
99.00899	6.0
100.09195	5.0
101.02461	47.8
104.86104	4.5
113.02456	22.4
114.62780	3.9
119.03492	11.9
125.87329	4.1
129.01874	4.0
131.03542	28.7
132.53247	4.0
133.02930	7.0
135.04575	6.8
149.04562	74.0
161.04678	5.1
163.03989	9.2
177.01921	8.5
179.03493	8.6
187.80345	4.1
191.05635	7.5
201.09233	4.7
212.82281	4.4
245.08093	16.3
277.12979	5.5
289.06702	6.2
409.16907	11.0
464.33658	4.4
469.13437	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	17.4
57.82985	7.4
59.01374	38.6
60.62497	7.3
61.98822	13.3
69.11865	57.1
69.12278	13.0
71.01389	26.7
74.02460	11.9
84.99977	8.0
85.02934	18.8
87.00873	7.2
89.02477	15.4
101.02468	21.9
102.69673	7.6
108.26305	7.5
111.00938	7.4
113.02460	41.0
114.05608	8.3
116.03561	10.7
117.03496	24.8
119.03584	8.9
119.05046	100.0
123.04520	20.4
127.69978	7.9
132.02188	10.5
133.02971	39.5
135.04581	11.8
145.02997	60.2
157.07713	15.6
161.02493	70.2
163.04018	96.9
164.31609	7.0
179.03535	10.0
187.04092	11.4
204.12758	6.5
215.07057	11.4
219.15129	8.9
224.40187	8.7
226.82269	7.4
251.45447	7.0
257.08209	7.9
263.13901	12.5
303.24548	7.1
307.12891	11.3
337.12796	8.1
430.80869	7.8
437.10800	30.1
453.79410	8.5
469.13040	9.6
469.23114	36.5
470.15131	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	469.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	18.1
67.10898	8.4
71.01389	17.1
78.95894	58.4
79.11877	8.1
85.02935	12.3
88.17080	8.2
89.02472	8.8
94.22147	9.5
96.96988	12.3
98.22545	16.4
113.02478	12.8
119.50728	9.1
126.13050	7.5
145.02957	16.9
152.99611	33.1
161.02478	18.3
163.04053	18.1
171.00618	10.9
172.47580	9.3
182.05487	9.1
197.11865	60.4
227.57101	8.9
232.90384	9.4
241.10843	41.8
261.11249	9.4
469.14847	100.0
469.22098	95.5
469.83603	11.3
470.14429	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	469.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.1
56.99786	1.0
57.03442	4.5
58.00594	2.3
59.01384	100.0
61.98816	2.9
67.01885	2.4
69.03458	1.7
69.30108	7.3
71.01387	69.8
72.73614	1.1
72.99294	4.7
73.02951	43.1
75.00864	1.5
81.03441	1.1
82.95380	1.2
83.01395	16.2
83.05042	8.8
85.02950	14.5
87.00879	5.6
89.02450	32.7
93.03470	10.3
94.03792	2.9
95.01376	3.2
97.02947	2.0
97.78488	1.0
99.00865	2.9
101.02450	62.0
108.02247	1.1
111.04497	2.2
112.04802	1.2
113.02452	23.6
119.03523	16.8
125.02453	1.5
131.03490	2.9
133.02965	3.8
134.03679	1.2
135.04549	5.4
136.05147	1.3
137.02455	2.8
137.09779	1.1
143.03482	5.0
145.02924	1.3
147.04495	2.3
148.04059	1.9
149.04576	2.1
152.92438	1.0
154.22688	1.0
155.03549	1.8
161.02432	2.2
161.04596	12.8
162.05109	2.4
168.07887	6.7
173.04611	5.7
174.04985	2.9
175.05153	5.6
176.05592	1.3
177.01929	1.5
178.02754	1.6
179.05591	2.8
183.21921	1.1
185.13400	2.0
187.11217	1.2
189.09360	1.0
191.05696	5.2
192.05965	3.3
193.06099	2.0
203.10966	1.1
203.14441	3.0
221.15565	1.3
244.09744	3.9
245.10072	4.1
247.13434	2.4
253.16049	1.7
265.14426	3.7
271.16943	2.9
289.18060	4.0
392.98477	1.4
409.44894	1.1
439.23309	1.7
451.14917	4.1
451.23450	12.1
462.95508	1.0
469.16568	1.6
469.20480	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	469.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.1
56.99786	1.0
57.03442	4.5
58.00594	2.3
59.01384	100.0
61.98816	2.9
67.01885	2.4
69.03458	1.7
69.30108	7.3
71.01387	69.8
72.73614	1.1
72.99294	4.7
73.02951	43.1
75.00864	1.5
81.03441	1.1
82.95380	1.2
83.01395	16.2
83.05042	8.8
85.02950	14.5
87.00879	5.6
89.02450	32.7
93.03470	10.3
94.03792	2.9
95.01376	3.2
97.02947	2.0
97.78488	1.0
99.00865	2.9
101.02450	62.0
108.02247	1.1
111.04497	2.2
112.04802	1.2
113.02452	23.6
119.03523	16.8
125.02453	1.5
131.03490	2.9
133.02965	3.8
134.03679	1.2
135.04549	5.4
136.05147	1.3
137.02455	2.8
137.09779	1.1
143.03482	5.0
145.02924	1.3
147.04495	2.3
148.04059	1.9
149.04576	2.1
152.92438	1.0
154.22688	1.0
155.03549	1.8
161.02432	2.2
161.04596	12.8
162.05109	2.4
168.07887	6.7
173.04611	5.7
174.04985	2.9
175.05153	5.6
176.05592	1.3
177.01929	1.5
178.02754	1.6
179.05591	2.8
183.21921	1.1
185.13400	2.0
187.11217	1.2
189.09360	1.0
191.05696	5.2
192.05965	3.3
193.06099	2.0
203.10966	1.1
203.14441	3.0
221.15565	1.3
244.09744	3.9
245.10072	4.1
247.13434	2.4
253.16049	1.7
265.14426	3.7
271.16943	2.9
289.18060	4.0
392.98477	1.4
409.44894	1.1
439.23309	1.7
451.14917	4.1
451.23450	12.1
462.95508	1.0
469.16568	1.6
469.20480	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	470.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41883	0.4
55.01871	1.6
59.01373	1.3
60.24236	0.3
71.01400	0.6
71.27351	0.9
82.03001	0.9
85.02959	4.8
89.02444	1.1
101.02441	0.6
128.03555	100.0
129.01956	9.9
129.03903	1.8
135.04518	0.4
137.02455	0.5
179.05592	0.6
281.33713	0.4
341.10992	2.4
437.13348	0.5
470.02295	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03574	7.7
53.48425	6.4
59.01388	100.0
62.35117	7.8
71.01381	50.0
73.02950	24.8
74.02483	17.8
78.95918	9.6
83.01337	7.7
85.02972	13.5
87.00899	9.1
89.02476	22.2
92.12363	8.8
93.03484	19.9
98.22526	18.3
101.02470	29.7
113.02448	33.3
117.03479	15.2
119.05038	41.5
123.04511	26.3
132.04562	9.0
133.02968	49.2
135.04546	22.4
145.02939	59.6
146.03336	25.5
157.07750	14.2
161.02458	88.9
161.04619	15.4
162.02805	29.2
163.04053	49.6
179.03526	16.7
187.04031	14.8
191.05598	23.0
203.03455	18.6
210.06865	9.9
211.07677	97.5
223.07594	16.5
237.09181	9.1
265.08820	12.9
273.85941	7.7
311.74799	9.0
327.08865	52.9
341.08633	17.6
373.73267	8.1
434.58517	7.9
438.11224	24.0
470.15076	21.3
471.16406	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	470.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73111	4.1
59.01385	100.0
71.01395	23.1
73.02934	6.9
84.38283	5.0
85.02958	7.2
86.54588	4.2
88.27312	4.8
89.02432	7.6
101.02447	7.8
113.02457	19.0
113.11076	4.2
120.52199	4.5
133.02942	15.0
135.04524	7.7
145.02930	11.3
151.07668	8.0
152.08424	14.5
153.09238	41.7
161.02469	54.4
161.04584	4.9
179.03450	10.6
200.75229	4.4
203.03555	5.8
204.39883	4.2
205.12318	17.8
211.07526	8.7
221.04391	6.1
223.13391	13.8
341.08713	14.8
367.17664	41.8
427.19730	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	471.136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33872	1.4
55.01883	21.5
59.01375	4.8
64.77574	1.3
67.01884	1.8
71.01383	4.1
71.11765	1.3
71.27115	1.3
71.27534	2.1
72.99328	1.5
85.02959	67.9
89.02444	5.5
99.00895	3.4
101.02436	3.7
111.00922	2.3
111.05236	1.4
113.02448	2.5
115.71355	1.3
119.03503	2.4
128.03548	7.6
129.01959	100.0
129.03940	2.9
135.04538	2.0
137.02483	2.0
179.05646	2.4
190.78690	1.4
237.96574	1.6
277.19507	1.4
295.35507	1.5
341.10904	8.1
359.39658	1.6
466.39474	1.4
472.15933	1.9
476.41757	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	471.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	5.8
62.50985	0.7
69.03224	7.4
71.01376	3.5
85.02950	1.3
89.02439	1.6
92.91091	0.8
93.03449	0.7
97.02938	1.0
99.56649	0.8
101.02430	1.1
109.02963	1.1
113.02451	2.9
119.05020	1.1
124.80316	0.7
132.02147	1.8
133.02966	35.7
134.03679	1.1
135.04543	21.4
136.04837	1.0
136.53070	0.8
137.02419	1.2
145.03006	0.7
146.66351	0.7
149.06100	1.9
161.02457	100.0
162.02808	2.5
164.95865	0.6
175.04050	2.0
177.05594	5.1
179.03510	25.8
180.03831	1.0
189.05562	1.5
203.03532	18.4
211.07565	1.9
215.44069	0.7
221.04558	4.9
233.04654	3.3
251.05643	2.9
279.14520	1.1
281.06628	7.0
323.07736	2.1
341.08801	33.6
341.92422	0.7
342.09076	2.4
406.86874	0.8
439.12347	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	471.151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64019	0.7
59.01384	5.8
61.57947	0.7
65.01012	0.6
69.22060	4.7
71.01378	3.6
73.02959	0.7
84.95123	1.0
85.02950	1.7
89.02449	2.5
90.24723	0.6
101.02467	1.9
105.03486	1.0
105.04770	0.7
109.02953	0.7
113.02454	1.7
117.03474	0.8
119.03514	1.0
119.05029	0.9
132.02162	1.9
133.02968	34.7
134.03661	1.1
135.04553	18.8
136.04912	0.7
137.02429	0.9
138.51114	0.7
149.06104	1.9
161.02461	100.0
162.02794	4.6
163.04019	0.8
175.04015	2.1
177.05611	4.9
179.03519	22.6
180.03831	0.8
189.05498	1.2
203.03529	18.6
204.03828	1.1
211.07631	1.2
217.05333	0.7
217.47916	0.7
221.04550	4.9
233.04584	3.0
251.05626	2.9
281.06702	7.4
299.30255	0.8
311.69870	0.8
323.07724	2.0
341.08795	29.7
342.09009	2.0
382.96457	0.8
439.12460	9.4
440.12613	0.9
471.16190	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66972	3.2
57.03449	3.0
57.85843	4.0
59.01093	5.4
59.01384	100.0
60.04549	3.0
61.98818	14.9
66.28918	3.3
69.04794	19.3
69.05212	17.6
71.01391	28.7
73.02966	21.2
83.01388	6.0
85.02957	9.1
87.00885	4.4
89.02454	12.2
93.03439	6.4
96.96024	5.4
97.02946	4.7
97.06573	4.9
97.58234	3.3
99.00879	5.3
101.02443	18.9
106.04261	5.9
107.05045	5.5
109.06601	5.3
113.02475	12.8
119.03509	4.4
121.02926	3.4
126.99583	6.9
129.36824	3.2
133.02925	10.1
135.04495	8.2
135.11853	4.8
139.12030	3.1
141.98343	3.2
145.02945	7.9
161.02530	19.5
161.09702	18.6
179.03320	6.2
179.10788	73.0
180.11031	3.9
203.03482	4.8
203.10745	6.4
207.10248	12.8
223.07599	9.2
223.09770	11.5
225.11342	15.3
241.70697	4.3
249.14688	4.2
309.07709	8.8
309.17206	6.1
327.08911	4.2
359.50452	3.7
374.06573	4.2
423.81131	4.1
448.76929	4.5
471.22250	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	471.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	6.1
59.01387	100.0
61.98829	19.4
69.16340	15.2
69.16770	23.1
71.01382	33.6
72.99332	5.6
73.02949	13.0
83.01363	7.8
85.02946	16.8
87.00901	4.7
89.02456	18.0
90.33567	4.8
91.79876	4.1
93.03497	5.0
95.05020	5.7
96.95995	5.6
101.02441	23.6
101.83335	4.2
102.98550	4.6
105.95598	4.4
106.04300	5.8
107.05000	4.9
113.02477	17.4
119.03510	8.8
119.05099	10.6
121.95508	4.4
126.86964	4.9
133.02946	23.0
135.04544	13.9
137.02441	12.6
145.02974	11.7
161.02461	34.8
161.09753	15.3
162.02846	6.7
179.03529	9.3
179.10800	62.9
180.11174	5.4
203.03568	10.9
203.10857	6.7
207.10335	12.2
211.07608	5.8
223.07640	29.6
223.09782	11.7
225.11397	21.4
227.06862	5.2
249.15012	15.9
267.06796	7.8
308.64499	4.3
309.07697	17.5
309.17120	18.4
338.66998	4.2
341.08679	10.7
439.12241	5.7
471.21436	12.3
471.27469	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	471.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46490	1.0
58.02978	12.7
59.01382	66.9
61.98820	2.4
69.03429	1.5
71.01383	9.2
71.30449	2.4
71.84192	1.2
72.30260	1.1
73.02946	3.1
74.02479	14.4
74.11417	1.2
81.03488	1.2
82.02989	4.1
83.01393	4.5
83.04989	1.6
85.02939	3.7
86.06088	1.4
87.00868	1.2
89.02460	4.2
94.06674	1.2
96.04568	11.6
97.04091	9.3
98.02496	4.0
99.05653	18.3
99.43381	1.2
100.00413	4.1
101.02449	8.6
108.04574	12.6
109.04078	4.1
110.02454	3.7
112.04047	13.8
112.07697	13.5
113.02447	4.3
113.03583	7.5
115.05154	1.2
115.92088	2.3
119.03496	2.2
119.05023	2.3
122.06118	4.1
122.79493	1.4
124.04062	10.4
125.03570	4.6
125.04836	5.6
126.05608	3.4
127.05139	13.9
128.03551	1.4
128.65833	1.3
133.02966	4.1
135.04544	2.3
135.11807	3.7
137.02440	2.8
137.07219	7.5
138.05643	2.2
139.08679	1.6
140.07181	17.1
140.98853	1.8
143.04646	4.8
145.02954	4.1
148.04031	2.0
150.05605	1.4
152.03529	6.6
155.08287	32.2
161.02420	5.9
161.04639	4.2
163.03944	2.9
165.06702	22.5
166.05133	3.1
175.05052	2.0
179.03452	2.8
179.05580	2.3
181.06180	2.1
183.07756	52.0
184.07991	1.9
203.03485	2.5
209.05727	6.5
209.11809	3.9
225.05159	3.4
227.06754	100.0
228.07063	4.1
243.10606	6.8
305.11469	2.3
337.62030	1.4
341.08777	2.1
439.12512	1.9
471.18063	66.2
472.18439	6.3
488.78448	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1809
Annotation	Paleatin A
Peak:m/z	Relative Intensity
57.03443	2.2
57.28379	1.5
57.51804	1.6
58.02971	6.1
59.01382	100.0
61.98827	3.3
70.97352	3.5
71.01379	10.8
73.02952	3.7
74.02469	11.0
74.18201	1.8
77.66119	1.5
82.02997	3.4
83.01374	2.5
85.02966	4.3
86.02491	2.4
89.02451	6.6
96.04564	5.6
97.04088	6.5
98.02467	3.6
99.05636	11.7
100.00380	2.6
101.02448	10.4
108.04591	8.5
109.04089	1.6
110.02473	2.5
112.04032	10.8
112.07686	8.0
113.02448	4.9
113.03607	4.3
115.92093	2.4
116.92924	1.5
119.03533	3.1
119.05009	2.5
120.04512	1.6
122.06138	4.2
124.04026	5.7
125.03580	3.7
125.04843	3.0
126.05566	2.3
127.05122	8.1
133.02936	2.0
137.02405	3.1
137.07227	4.4
138.05606	1.5
140.07172	11.7
143.04709	2.6
145.02974	3.0
148.04068	2.5
150.05568	3.6
152.03554	4.3
155.08266	23.5
161.02472	5.5
161.04599	3.5
163.04033	2.0
165.06677	15.5
174.04388	2.0
175.05133	5.4
181.06270	1.9
183.07747	32.5
190.07376	1.6
209.05693	3.6
209.11844	2.1
225.05199	2.2
227.06744	66.0
228.07071	4.3
233.09312	4.7
243.10620	5.8
305.11514	3.7
325.89288	1.6
471.18021	46.5
472.18274	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	471.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	81.4
69.19301	30.9
71.01395	20.3
73.02953	5.6
82.16586	3.1
85.02966	6.4
87.00930	5.2
88.59243	3.9
89.02440	5.1
89.06648	3.4
93.03475	5.3
94.06260	3.0
97.02972	3.7
98.21758	6.6
101.02460	8.3
102.51106	3.4
109.02974	3.2
113.02480	13.4
119.05033	9.9
119.35874	3.8
133.02974	35.5
135.04536	20.6
143.05020	3.6
145.02980	7.0
152.08492	8.5
153.09235	20.2
161.02461	100.0
161.06053	4.3
162.02783	4.1
163.04008	9.1
179.03484	23.8
203.03461	20.7
205.12363	7.1
211.07626	17.8
233.04521	5.2
237.09261	5.7
281.06686	6.8
327.08807	7.1
341.08746	28.4
367.17618	13.6
368.17996	4.1
422.40607	3.8
439.12177	8.4
457.70859	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	471.224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20743	0.4
54.95452	0.4
59.01384	100.0
60.01714	0.8
67.48338	0.4
69.03466	2.4
69.03889	2.4
70.98067	0.4
71.01389	3.0
73.02966	3.2
83.01417	1.2
89.02462	1.3
92.78306	0.5
98.21729	0.7
101.02454	3.6
105.31747	0.4
107.03503	0.5
113.02487	1.9
116.87491	0.4
119.03529	0.8
124.97581	0.5
136.55513	0.4
137.09663	1.1
149.04501	0.6
161.04538	2.2
180.20010	0.4
183.07811	0.7
219.11949	0.5
227.06874	1.0
232.08490	0.7
233.27890	0.5
269.30478	0.6
272.20084	0.5
347.13956	0.5
399.17953	1.5
408.38049	0.5
471.18619	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	471.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.7
57.03432	3.1
58.00564	4.7
59.01383	100.0
61.98819	3.2
71.01385	71.7
71.31554	1.7
72.99305	7.0
73.02924	5.0
83.01360	3.3
83.05039	1.7
85.02962	14.8
87.00856	6.0
89.02451	82.8
93.03447	2.0
94.14204	1.4
94.96261	1.4
95.01372	5.7
95.59915	1.3
97.02924	4.9
99.00857	3.6
101.01814	2.4
101.02448	36.5
109.06602	9.9
113.02467	26.4
113.63131	1.2
119.02673	1.9
119.03512	31.7
123.04516	3.3
125.02401	1.3
125.09734	1.5
131.03500	2.8
133.02911	6.1
134.03352	1.5
135.04480	2.2
135.08156	2.2
136.05238	2.6
137.02437	1.8
142.02687	2.3
143.03445	3.0
149.04536	1.7
161.02370	5.8
161.04515	4.0
163.11304	8.1
179.03412	3.8
179.05492	4.1
187.03989	1.8
189.09119	1.8
200.00897	1.8
203.03333	1.9
207.10269	51.9
208.10556	2.2
225.11285	10.5
291.16086	13.5
291.19366	2.5
309.17136	1.7
341.08765	1.8
374.06253	10.8
432.96338	1.4
439.12000	2.7
471.22101	68.9
472.22870	9.2
474.25293	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10838	0.4
52.50888	0.4
57.03446	1.6
59.01384	100.0
60.01719	0.9
61.98845	0.9
62.39620	0.4
69.03446	0.4
69.38024	0.7
69.38425	2.1
69.64397	0.4
71.01390	3.3
71.05033	0.5
73.02968	1.3
85.02955	1.0
89.02460	1.0
97.06602	0.4
99.00937	0.4
99.92623	1.6
101.02483	1.3
113.02499	1.1
115.92109	0.9
116.92859	0.8
119.05049	0.6
133.02994	1.4
135.04573	0.7
137.02498	0.7
145.03018	0.8
161.02530	1.7
161.04604	0.9
163.04039	0.5
177.05836	0.5
179.03586	0.4
192.11682	1.2
203.03676	0.5
203.05699	1.3
207.13921	5.4
233.09349	0.4
305.11581	0.5
341.09189	0.7
471.23776	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.224
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02981	5.0
59.01384	100.0
59.74657	0.8
61.98815	3.6
69.29018	3.1
69.29450	3.6
71.01376	8.0
72.70513	1.1
73.02941	3.5
74.02477	6.7
82.02980	2.6
83.01398	3.6
85.02952	4.0
87.05630	1.2
89.02449	3.3
93.03452	0.8
95.01409	1.1
96.04574	6.3
96.99288	0.8
97.02917	0.9
97.04077	4.7
98.02480	2.6
98.21844	1.2
99.00819	1.1
99.05631	7.7
100.00400	1.7
101.02442	6.5
107.22553	0.9
108.04556	6.5
109.04097	1.2
110.02489	2.0
112.04064	5.9
112.07706	5.8
113.02448	4.0
113.03577	2.9
116.01762	1.0
119.03502	1.9
119.05037	1.4
122.06114	3.6
124.04030	5.4
125.03583	1.3
125.04849	2.5
126.05582	1.6
126.74045	1.0
127.05157	6.0
133.02951	1.7
135.11818	1.0
137.02386	1.6
137.07181	2.4
137.46733	0.9
139.02794	1.1
140.07204	7.4
143.03537	0.9
143.04602	2.2
145.02934	1.4
149.04594	1.0
151.13213	0.9
151.68327	1.0
152.03520	3.1
155.08263	13.2
161.02399	2.4
161.04510	2.5
165.06685	12.7
166.05069	1.8
175.05138	1.8
183.07761	22.5
199.98817	0.9
203.03664	1.0
207.10419	1.0
209.05690	3.4
209.11797	1.1
212.82861	0.9
217.87874	0.9
225.05016	1.0
227.06752	40.1
228.07111	1.2
233.09331	2.0
243.10507	2.3
305.11267	2.4
341.08676	1.2
447.15167	1.0
471.17944	25.6
472.18512	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	472.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40212	2.3
56.76353	2.3
59.01373	6.2
67.03016	4.6
68.02525	3.5
70.80759	4.5
71.01376	3.7
79.59267	2.3
80.91688	4.8
81.03439	4.6
85.02946	4.7
89.02420	2.4
92.05062	23.5
94.57291	2.2
96.96027	4.4
102.05604	7.0
106.04099	4.2
109.04077	4.6
110.02494	3.4
111.57963	2.2
121.03014	2.8
123.04532	10.5
126.06726	7.0
128.03560	50.5
129.01936	5.7
135.04535	13.0
135.05656	8.9
136.04059	12.0
137.02434	5.9
138.02696	2.3
146.04633	5.3
147.05661	7.4
148.04056	23.8
149.02419	4.8
149.04738	2.6
151.06282	2.9
161.02432	2.2
163.06268	8.8
167.03493	3.6
175.08942	2.7
177.10365	9.5
189.10374	6.0
203.08231	3.1
209.54536	2.2
212.05696	4.8
214.09846	3.4
218.04370	4.4
221.09428	11.2
224.34695	2.0
231.70633	2.7
233.09293	26.3
258.08813	3.5
260.05658	2.9
270.49326	2.3
275.11536	9.4
300.11050	54.5
309.25549	2.7
343.11182	16.3
360.16696	3.7
385.16336	25.5
386.16275	3.3
404.10532	3.7
404.15790	69.5
405.15952	5.6
411.14246	6.5
429.15213	25.3
454.14700	5.5
472.15900	100.0
473.16046	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	472.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	48.7
61.98835	9.9
69.22501	8.8
69.22908	28.1
71.01386	21.2
73.02961	6.2
83.01418	8.0
85.02943	6.0
86.99171	3.9
89.02452	11.9
96.96027	5.2
101.02429	15.0
113.02493	10.8
114.21669	4.4
132.51248	4.1
133.02968	35.8
134.03273	20.0
135.04523	27.1
136.04865	15.9
145.02971	5.2
152.99629	6.2
161.02458	100.0
161.04572	4.7
161.06061	5.2
162.02794	85.9
163.04041	7.1
177.05620	12.0
177.09152	3.9
179.03499	25.0
180.03818	21.2
187.04095	4.4
193.05055	6.6
203.03493	18.5
204.03839	21.2
205.08945	4.9
209.11838	4.7
211.07574	4.0
212.07974	5.9
222.20854	4.7
246.28311	3.9
249.11417	8.1
260.33987	4.3
281.06598	7.1
282.07028	7.4
283.20432	4.0
332.05908	4.1
341.08899	16.2
342.09158	40.0
440.13007	21.5
473.11157	6.7
473.17822	12.2
482.30057	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	472.219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	22.1
69.07391	100.0
98.22554	16.4
154.40689	9.9
186.43695	10.4
193.18787	9.2
298.18555	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	72.1
59.94352	4.0
61.22398	3.1
61.98833	11.2
69.06213	31.8
69.34560	3.1
69.37784	3.5
71.01385	27.1
73.02929	7.7
83.01375	4.0
85.02974	12.1
87.00888	6.2
89.02464	8.2
97.06541	3.5
99.00891	7.9
101.02467	15.0
105.03497	10.0
111.00852	5.2
113.02448	30.3
121.02993	10.1
133.02966	100.0
134.03773	29.3
135.04530	9.1
137.02460	27.0
139.04031	12.1
147.04492	3.2
148.05321	4.1
149.06090	3.4
150.03273	7.4
160.01665	9.0
161.02470	19.2
161.04585	11.4
175.04083	8.7
176.04778	5.6
177.00481	5.1
177.01956	74.9
177.05397	3.2
178.02748	58.8
178.04387	5.3
178.04855	4.3
179.03473	13.7
187.07747	7.6
191.05699	4.8
201.09158	5.3
203.03513	4.4
207.10361	7.7
215.07155	8.6
220.03806	51.3
221.04395	3.9
229.08598	7.6
231.10272	10.1
250.04892	5.7
275.09286	58.2
276.09686	5.4
280.05981	8.1
281.07050	3.6
299.09439	4.4
317.10193	18.9
340.07990	34.1
347.11600	8.6
376.11758	6.7
377.12454	9.8
437.14771	8.1
473.28085	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65055	1.1
57.03471	1.6
59.01387	9.2
59.27340	1.1
63.92144	1.6
71.01389	19.4
71.27813	1.3
71.28184	2.0
73.02942	4.6
80.02668	1.5
80.73611	1.2
81.03466	33.2
83.01396	3.0
85.02974	8.0
85.49790	1.2
89.02456	3.9
93.03478	17.9
93.26208	1.2
95.01403	1.6
95.05049	3.8
97.02988	3.7
99.00903	1.8
99.04510	5.8
101.02455	11.8
105.03492	4.9
105.49244	1.4
107.01453	2.0
113.02446	7.7
117.95998	1.4
121.02975	17.2
123.04539	100.0
124.04893	2.3
135.04517	6.6
139.03999	1.9
145.78851	1.3
149.02452	47.6
150.02826	2.1
161.04582	8.1
167.03517	53.6
168.03822	2.1
179.03513	7.4
179.07162	1.4
181.12140	1.2
193.01433	2.0
206.45157	1.2
239.21956	1.3
254.38361	1.2
279.10861	5.5
283.11884	1.2
394.04865	1.2
429.14072	63.3
430.14386	5.4
473.12900	8.5
474.13004	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	473.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.1
59.01390	8.3
63.20213	1.0
69.03448	1.0
70.84608	2.9
71.01389	14.7
73.02939	3.4
80.02745	1.0
81.03462	34.1
83.01430	1.2
85.02965	6.6
89.02441	3.0
93.03473	15.0
95.05040	4.3
97.02969	2.2
99.00906	2.0
99.04517	6.6
101.02486	7.9
105.03460	2.6
107.01406	1.4
113.02443	4.2
121.02965	12.5
123.04538	100.0
124.04846	2.6
139.03987	1.8
149.02464	40.8
149.03633	2.5
150.02817	1.4
161.04573	5.8
167.03506	53.2
179.03542	1.2
215.96396	1.2
261.09827	1.2
279.10931	4.0
315.78876	1.1
425.99240	1.1
429.14050	57.0
430.14450	6.3
473.12973	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	473.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
59.01379	5.2
64.47803	1.0
67.01887	1.8
68.99817	1.3
69.03437	1.2
69.30695	2.5
69.31124	3.2
71.01376	9.7
72.99301	0.8
73.02937	2.8
77.03965	1.2
79.05531	2.9
80.96521	5.4
81.03461	16.5
85.02944	3.9
88.19749	0.8
89.02443	3.2
93.03461	7.5
94.98080	1.4
95.01395	1.9
95.05042	7.9
97.02951	1.9
98.22511	1.1
99.00906	1.1
99.04507	2.0
99.73714	0.8
101.02460	6.3
103.51810	0.8
105.03461	15.6
105.18748	0.8
107.01345	0.7
107.05037	1.1
113.02448	4.3
114.47453	0.7
114.50215	0.8
115.04012	0.8
119.03508	1.0
121.02972	8.2
123.04530	100.0
124.04876	1.8
125.02515	1.0
125.06120	1.9
135.04524	1.9
139.03954	0.9
146.03720	3.2
149.02449	50.8
150.02776	1.8
160.40227	0.8
161.04532	3.6
161.06015	0.8
164.04877	3.9
164.98653	1.0
167.03499	57.3
168.03812	1.7
169.05066	1.4
179.07133	10.0
193.01416	8.8
211.02412	1.0
225.00815	1.6
255.83693	0.8
279.10822	2.7
376.77649	0.9
429.13995	28.9
430.14651	1.9
431.22418	0.8
473.12982	13.2
496.28693	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.6
55.80700	1.0
56.74728	0.9
57.03443	1.1
59.01378	12.6
61.98832	1.7
65.03961	1.0
67.01874	1.5
67.62591	1.2
69.03455	1.3
69.11834	7.8
71.01031	1.6
71.01392	23.7
71.05013	1.9
73.02959	5.3
78.82743	1.0
79.05551	1.6
81.03465	34.5
83.01405	2.4
85.02959	10.8
87.00883	1.4
89.02443	2.8
93.03469	25.4
95.01392	2.3
95.05045	5.1
96.93647	1.1
97.02963	2.5
97.06609	1.3
97.55297	1.1
98.22552	2.4
99.00877	2.9
99.04543	8.0
101.02451	11.3
105.03486	4.4
107.01397	1.5
111.04532	1.2
113.02470	8.4
117.05558	1.2
119.03494	2.1
121.02982	15.9
122.03258	1.4
123.04542	100.0
124.04898	2.1
129.01945	1.5
135.04544	6.1
139.04007	3.4
149.02455	54.2
150.02795	2.0
151.02846	1.0
159.03056	1.5
161.04567	8.4
164.17996	1.1
167.03516	65.0
168.03867	1.9
179.03474	6.3
193.01372	1.9
261.09576	1.5
279.10925	7.4
304.81500	1.3
376.77649	1.1
416.49283	1.4
429.14047	72.3
430.14264	6.5
455.11551	1.5
468.87576	1.2
473.13074	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	473.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.0
57.03428	1.3
57.25497	0.7
58.00598	0.8
59.01383	100.0
60.01711	1.5
61.98829	14.9
69.07677	4.3
69.08100	3.5
70.86020	0.8
71.01388	21.0
72.99317	1.2
73.02947	5.5
76.15170	0.8
83.01385	1.8
83.05031	2.3
85.02959	7.7
87.00877	0.9
89.02453	14.3
93.03494	1.4
95.01384	1.3
98.22525	1.7
99.00893	1.9
101.02441	11.6
106.00030	0.8
111.00879	1.1
113.02462	11.4
119.03500	5.4
125.02394	0.9
143.03525	1.7
159.02998	1.1
159.04616	0.8
161.04578	9.0
163.03917	0.8
165.01970	1.9
176.04826	1.9
177.09248	2.4
179.05623	3.4
187.07684	2.7
189.12903	1.4
202.06354	1.3
205.08696	4.3
223.13341	1.0
231.10226	2.4
233.08168	2.1
249.11311	6.4
249.14934	6.2
265.14487	1.4
267.12393	2.6
267.15939	1.9
275.09262	1.1
353.12476	1.0
373.66623	0.9
413.21823	1.1
471.70059	0.8
473.24106	6.8
473.29800	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.3
59.01386	100.0
60.01725	1.1
61.98841	2.1
62.63137	0.3
69.28474	2.4
71.01389	2.2
73.02966	0.9
83.01372	0.3
85.02987	0.9
89.02491	1.4
97.02958	0.5
101.02479	1.2
111.08194	0.4
113.02512	1.4
119.03583	0.9
119.05081	0.4
143.34200	0.3
153.88998	0.3
161.04622	0.4
177.58841	0.3
181.12469	0.4
198.64038	0.3
206.95860	0.3
223.13460	0.3
267.12476	0.8
400.71185	0.3
408.97415	0.4
431.23145	0.9
473.23843	1.0
473.29721	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.3
57.03445	3.3
58.00611	1.6
59.01384	55.1
61.98841	7.7
66.31130	0.9
69.10227	9.1
71.01387	39.2
72.99300	2.7
73.02951	8.8
83.01406	5.7
85.02956	14.3
87.00897	2.7
87.48148	0.9
89.02454	26.3
93.03464	1.3
95.01405	2.8
98.21734	1.9
99.00881	5.8
99.04483	1.0
101.02455	32.9
102.02770	1.2
109.06628	2.3
109.53890	0.9
111.03829	2.0
111.04536	22.2
111.08163	1.9
113.02457	16.0
115.07663	32.9
117.42309	0.8
119.03524	12.1
119.04968	2.6
125.02415	1.1
138.73122	1.3
141.94989	1.0
151.00366	4.2
152.10829	3.4
156.10274	4.8
158.11871	13.8
161.04547	5.6
171.10306	2.6
179.05623	3.6
180.06668	3.4
196.09726	2.6
197.08179	2.2
201.60135	1.0
271.06171	8.0
320.17093	6.6
358.15100	3.6
376.16122	14.0
377.16315	1.5
415.23566	1.3
441.89697	1.2
474.23471	100.0
475.12430	1.3
475.23801	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	475.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	11.9
69.54256	15.7
71.01382	12.9
71.36396	3.1
78.91881	7.8
85.02995	3.6
89.02469	5.3
96.96024	4.7
97.57048	3.3
99.97289	3.1
101.02476	3.4
108.02193	36.3
108.93682	3.5
113.02484	14.0
123.04529	16.0
136.59343	3.6
147.42406	3.7
149.27702	3.3
152.01167	34.6
166.02728	6.8
167.03506	100.0
168.03865	3.6
181.05107	8.7
188.25320	3.4
239.85027	3.6
329.09070	5.2
387.13852	4.8
449.43491	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	475.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35054	0.7
56.28471	0.8
57.03446	1.3
59.01386	48.1
71.01382	8.1
71.09574	1.8
72.97559	0.9
73.02952	0.9
73.16123	0.8
85.02969	1.2
87.00892	3.6
89.02462	3.8
90.90148	0.9
96.96036	1.3
101.02412	4.0
109.03008	0.9
113.02447	1.4
114.63638	0.8
119.03497	2.0
119.05011	1.0
121.02959	1.4
123.04539	1.2
135.04509	2.9
145.02983	1.3
146.03749	34.1
147.04196	1.5
161.02449	2.9
161.04605	2.3
161.06068	12.6
164.04800	25.1
165.05148	1.7
179.03807	2.0
179.07153	100.0
180.07465	4.6
181.05048	2.8
227.47668	1.0
295.12994	3.1
348.66742	0.8
373.65591	0.9
406.90594	0.8
408.54416	0.8
415.19809	1.0
475.14209	3.2
504.64041	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72588	4.9
54.12783	5.7
59.01381	83.8
61.98833	6.7
69.14954	53.9
71.01395	29.1
73.02955	6.9
79.82895	5.1
83.01400	6.7
85.02945	19.1
87.00865	18.8
88.98807	9.7
89.02429	26.3
96.96022	15.2
101.02446	24.3
112.90421	5.7
113.02467	100.0
117.03465	18.4
119.05059	7.6
135.04558	6.7
138.44029	5.8
145.02957	78.4
161.02565	7.2
161.04494	6.9
163.03998	17.2
173.26839	5.2
187.03934	8.4
415.23340	20.4
421.11325	26.8
422.11740	6.4
439.21432	7.7
475.19537	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	475.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.45793	64.8
65.00337	66.9
71.29553	85.5
71.29906	78.8
82.00862	62.1
85.58062	61.2
102.38029	76.2
136.87572	70.3
142.43999	65.7
183.29805	68.8
214.99768	65.0
218.94197	79.2
257.71231	66.4
277.21811	100.0
308.48999	67.8
341.38177	67.0
342.26123	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92836	48.7
69.91136	50.6
70.80121	87.0
70.80454	100.0
71.79245	55.7
103.62724	66.1
110.02872	55.3
133.66881	54.6
135.45522	56.7
199.27318	58.5
215.44022	52.8
288.73495	64.4
310.71072	52.4
380.33420	61.8
417.33148	62.5
426.24084	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33692	0.6
55.01877	1.8
55.46923	0.8
57.03450	1.5
58.00583	0.8
59.01383	100.0
60.01703	1.0
61.98831	1.8
65.53822	0.6
69.20116	6.4
71.01385	18.5
72.60906	0.7
73.02959	5.9
83.01399	3.8
85.02952	8.4
87.00861	1.4
89.02456	10.7
93.03465	1.2
95.01372	1.9
97.02960	1.1
98.21788	1.3
99.00892	3.0
101.02455	16.0
113.02448	10.9
117.03477	6.0
119.03548	4.4
119.05034	12.5
133.06602	2.3
143.03505	1.5
145.02965	23.3
152.07130	1.2
159.03043	1.4
161.04547	11.8
161.06061	4.0
163.04031	12.7
168.06671	0.9
173.06035	0.8
177.05542	2.9
179.05589	1.0
187.04025	2.2
205.05045	4.6
265.07782	0.7
270.09900	1.2
309.15002	0.7
312.10941	2.3
330.11987	26.3
397.22253	5.0
415.23389	29.1
416.23608	3.1
475.25125	1.1
476.15616	20.4
493.99109	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98456	0.4
55.01860	0.6
57.03464	0.6
59.01382	100.0
60.01730	1.0
61.98841	3.0
69.38952	0.4
69.60345	2.7
71.01383	13.7
72.99323	0.8
73.02944	8.2
83.00990	0.4
83.01395	2.4
83.06553	0.4
85.02950	4.3
87.00889	0.8
89.02445	4.7
95.01404	0.7
99.00919	1.3
101.02448	11.1
102.02798	0.5
113.02468	6.8
119.03536	1.7
143.03548	1.5
145.02913	0.5
149.04573	0.6
159.03061	0.7
161.04573	8.4
161.05846	0.7
179.05751	0.5
191.05775	0.6
193.77713	0.4
223.10919	0.5
239.26035	0.4
253.14589	1.5
258.66281	0.6
280.82452	0.5
415.23502	4.5
416.24521	0.6
451.10327	0.5
459.22580	0.9
475.26343	0.8
486.92429	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.5
57.69450	0.4
58.00610	0.5
59.01384	100.0
59.69051	0.4
60.01719	1.2
61.98840	1.7
68.80350	0.4
69.37186	0.5
69.42840	2.7
71.01386	7.9
73.02958	0.6
79.05544	0.4
83.01379	0.7
85.02977	1.3
87.00878	0.6
89.02454	9.5
95.01443	0.6
99.00922	0.8
99.04560	0.8
101.02441	4.3
103.76175	0.5
111.00952	0.5
113.02451	3.0
116.65029	0.4
119.03516	4.1
124.18415	0.4
143.03590	0.6
145.02989	0.7
161.02504	0.5
161.04578	1.1
166.22188	0.4
171.50383	0.4
173.11462	0.4
179.05623	2.8
197.11957	0.8
221.11931	2.0
239.13068	0.8
250.23991	0.5
254.01463	0.5
260.15527	0.5
330.12189	0.9
415.23645	0.6
475.22128	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.2
57.03442	0.8
57.83326	0.4
58.00590	1.5
59.01382	100.0
60.01718	0.8
63.82005	0.4
69.03461	1.5
70.57861	0.6
70.58215	0.8
71.01387	36.7
72.01730	0.4
72.99319	1.3
73.02952	44.3
74.03294	0.5
74.84290	0.4
75.00884	1.0
83.01391	12.5
85.02956	6.3
87.00893	2.0
87.04553	0.5
89.02451	9.3
95.01395	2.0
96.96014	0.7
97.02975	0.9
99.00904	1.4
101.02449	39.1
102.02800	0.5
105.38416	0.4
113.02456	17.1
118.50142	0.4
119.03505	5.1
120.19764	0.4
125.02478	1.7
129.02008	0.4
129.50842	0.5
131.03503	3.2
143.03497	3.3
145.02934	2.1
149.04547	3.8
153.96794	0.4
155.03525	1.2
158.74998	0.4
159.03111	0.5
161.04567	11.2
161.05879	0.8
162.04953	0.5
165.05399	0.5
178.99821	0.5
179.05692	0.9
179.07204	1.0
181.26469	0.4
203.05603	0.7
210.12508	0.4
221.06635	1.2
274.33060	0.5
283.11923	5.1
373.05872	0.4
415.16211	2.8
433.24466	0.8
462.34729	0.5
475.21542	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74932	0.4
55.01877	0.9
57.03442	1.8
57.33314	0.4
58.00598	1.2
59.01384	100.0
60.01719	0.9
60.40683	0.4
61.98839	5.2
65.56125	0.4
69.03466	0.7
71.01387	25.5
71.30347	0.8
72.99315	1.6
73.02952	11.7
74.21513	0.4
75.00889	0.7
83.01405	4.0
85.02956	8.3
87.00880	2.1
87.04512	2.8
88.59879	0.4
89.02452	17.3
95.01428	1.9
97.02980	1.4
97.06612	0.5
99.00896	1.7
101.02452	20.5
101.06100	0.5
102.71016	0.5
107.05093	0.4
111.00905	1.1
113.02463	14.4
119.03511	5.9
119.05012	0.5
125.02463	1.2
127.07684	0.6
131.03598	0.8
136.86130	0.4
143.03484	2.6
145.03024	1.4
147.11842	0.5
149.04594	1.0
159.10338	1.3
161.04568	6.9
163.04126	0.7
164.03545	0.6
165.05704	0.8
179.05646	2.5
181.08722	3.1
183.13933	1.1
197.11890	0.7
201.15094	0.7
221.11824	0.6
223.13464	1.1
227.81815	0.4
239.12988	0.5
253.14561	1.2
267.12469	2.1
271.19287	3.2
303.14453	2.9
315.14343	0.6
327.18069	2.8
345.19388	3.4
375.18011	0.4
415.23438	12.0
415.29019	0.6
416.24014	1.2
433.24423	15.1
434.25150	0.7
443.73129	0.5
457.17261	0.5
459.81390	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.5
59.01384	100.0
61.98821	3.4
71.01385	25.1
71.05042	0.8
71.29242	0.9
72.99306	1.9
73.02952	5.6
75.00848	1.0
81.24612	0.8
83.01390	3.3
83.05040	1.2
85.02955	11.4
87.00882	2.7
89.02448	17.7
93.03434	1.9
95.01398	1.7
96.95995	1.1
96.99287	0.8
99.00882	3.1
101.02447	15.3
111.00927	0.8
113.02469	12.0
117.03513	2.3
119.03509	6.5
119.05067	2.6
123.04528	1.0
125.02445	1.3
131.03575	0.9
135.04494	1.1
135.98289	1.1
136.01714	2.7
143.03511	1.9
145.02940	6.9
146.08238	1.7
149.04588	1.1
151.04060	1.9
159.03040	1.0
161.04561	9.2
163.04008	2.5
165.05562	4.1
165.12759	0.8
179.05618	3.1
191.05678	1.4
195.10300	1.0
197.11884	1.1
205.05118	0.9
217.12016	1.0
221.08253	1.0
221.11826	1.1
233.07228	1.4
239.12784	1.2
253.14485	7.0
277.12204	3.2
329.63406	0.9
330.11877	6.0
415.23444	23.5
416.23788	2.5
433.24554	4.1
475.08960	1.2
475.26535	3.9
476.15924	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	476.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.6
58.00597	1.5
59.01383	59.7
60.01704	4.2
61.98824	2.5
69.31715	7.0
71.01383	23.5
72.99297	1.6
73.02940	4.6
83.01373	2.9
85.02945	11.3
87.00890	1.2
89.02448	15.8
93.03466	4.2
95.01364	3.0
96.78827	0.9
99.00874	2.7
101.02447	15.3
102.02782	1.0
108.04586	3.3
108.08257	1.3
111.00883	1.4
113.02461	20.2
117.03472	22.8
119.03529	4.6
119.05037	50.9
120.05352	1.1
121.02966	1.7
122.06098	1.4
131.05011	2.5
132.05774	3.1
133.02927	1.0
133.06621	9.7
135.04480	1.1
143.03500	2.7
145.02962	91.4
146.03352	4.3
147.04509	2.1
148.04045	2.8
149.04875	7.7
149.05966	1.3
150.05615	35.0
152.07161	4.1
159.04483	2.8
161.04587	4.7
161.06078	17.8
163.04019	48.5
164.04373	1.7
164.07175	1.5
168.06683	4.1
177.05559	10.4
187.03979	9.5
191.07176	1.8
205.05069	16.8
206.05438	1.1
210.07744	3.8
229.05211	1.0
235.06209	3.1
240.08788	3.2
270.09695	5.0
271.14557	6.0
300.02750	2.0
312.11041	5.4
315.05267	1.2
315.10007	1.8
315.13522	27.1
325.09201	1.5
330.11957	100.0
331.12073	5.0
398.22711	1.2
415.23254	2.5
416.23691	9.4
432.16608	1.4
449.42834	1.1
476.15622	83.4
477.16830	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	476.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
59.01384	39.4
60.01704	1.9
61.98838	6.7
69.03468	1.2
70.32879	2.7
70.33233	1.3
71.01390	21.2
72.21752	0.9
72.99314	1.7
73.02966	4.9
83.01387	2.5
85.02962	10.5
87.00885	1.9
89.02446	12.6
90.85523	0.9
93.03475	4.1
95.01402	4.0
96.96047	1.2
99.00909	1.7
101.02444	11.3
102.02814	1.2
111.79538	0.9
113.02457	15.4
117.03481	20.8
118.77121	1.3
119.03522	5.3
119.05040	48.3
120.05347	2.0
121.02968	2.9
131.05014	2.0
132.05865	1.9
133.06607	9.8
143.03540	1.5
143.05013	1.0
145.02965	92.4
146.03279	3.3
147.04488	2.5
149.06094	2.2
152.07158	4.8
159.04520	4.1
161.04616	2.8
161.06079	19.1
163.04025	44.5
164.04425	1.5
168.06679	4.4
177.05566	9.9
179.05640	1.6
187.04036	8.9
191.07130	2.2
201.05559	1.3
205.05060	18.3
205.06798	1.7
206.05287	1.1
210.07761	2.3
217.05043	1.3
234.07849	1.0
235.06104	2.5
240.08830	2.0
265.07370	1.7
270.09839	4.2
312.10992	5.3
330.11966	100.0
331.12286	8.4
385.60498	1.1
406.14978	1.4
416.23630	2.7
421.63351	1.2
432.15973	1.5
433.24524	1.3
434.24374	1.6
476.15698	66.7
477.15683	8.4
499.68130	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12070	5.2
59.01381	64.8
61.98834	6.5
64.47369	4.4
65.02350	4.7
71.01382	26.3
71.01717	4.7
71.31148	5.4
71.31562	8.0
72.99314	6.6
73.02938	7.0
81.03456	7.8
85.02946	10.8
87.00892	9.4
89.02461	33.2
97.06577	5.6
101.02450	21.2
108.10403	4.6
113.02451	18.0
117.07108	14.4
119.03490	6.7
123.04526	5.8
133.02943	13.6
133.06590	9.8
135.04529	43.8
135.08176	61.5
153.09196	15.2
161.02454	44.9
161.04573	6.1
165.05544	5.7
168.63269	5.8
179.03485	23.1
179.05685	10.4
179.07141	100.0
193.04976	6.2
197.08217	61.3
240.09033	5.0
241.29485	4.6
253.09300	44.9
297.14697	6.3
424.69522	5.3
433.17075	31.4
437.76080	4.8
441.13953	63.2
481.04767	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58807	1.2
55.01881	2.7
57.03443	3.8
58.00595	2.0
59.01387	50.5
69.03444	1.4
71.01395	61.3
72.01731	1.3
72.99310	3.1
73.02955	17.4
76.64765	1.2
83.01386	4.5
85.02968	21.0
87.00871	4.0
89.02460	40.8
92.85023	1.2
95.01373	2.3
97.02940	1.8
99.00908	8.2
101.02466	31.3
113.02457	18.3
117.03464	1.5
119.03503	6.5
121.10245	2.3
125.02455	3.0
128.01207	1.2
131.03531	13.5
145.02965	4.1
149.04593	12.3
154.71004	1.3
159.03009	2.7
161.04584	13.3
161.09723	1.7
162.22958	1.3
165.09225	1.7
167.10806	4.0
169.12282	1.3
170.04570	2.7
179.05579	1.9
183.10271	1.6
183.39742	1.4
191.05664	6.6
197.11911	3.3
253.09291	1.8
301.16525	7.5
345.15613	2.1
477.19778	100.0
478.20148	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	477.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.4
59.01388	11.9
69.03446	3.3
69.11690	9.8
69.12094	3.1
71.01377	8.8
71.05029	2.3
73.02921	1.2
74.12742	1.1
85.02931	3.5
85.03426	1.1
86.00401	1.1
87.95565	1.3
89.02454	6.4
89.40869	1.2
97.06617	1.5
101.02449	8.1
112.01115	1.3
113.02477	4.3
113.15661	1.3
125.09727	1.8
133.28244	1.2
151.11272	3.0
153.12787	2.6
161.04576	2.5
161.09758	2.9
162.09532	1.4
163.32556	1.2
179.10788	7.6
197.11850	89.3
198.12253	4.9
223.09708	3.0
241.10893	7.4
253.09335	7.0
309.39096	1.5
477.19785	100.0
478.20166	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	477.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71358	0.4
55.01876	0.5
57.03449	0.9
58.00595	0.4
59.01388	8.7
61.48616	0.5
61.98834	1.1
69.03467	3.2
69.21220	2.0
69.21642	1.3
69.77145	0.3
71.01383	5.6
71.05015	2.6
72.99327	0.4
73.02955	1.3
73.04977	0.5
74.02454	2.0
78.95296	0.4
83.01394	0.6
83.05043	0.4
85.02962	1.3
87.00858	0.5
89.02457	3.5
98.21790	0.6
101.02451	3.8
113.02482	1.8
119.03519	1.1
123.08167	1.0
125.09717	1.9
135.27904	0.4
150.05612	0.6
151.11263	1.9
153.12860	3.0
161.04575	1.3
161.09778	2.2
179.10788	6.5
191.05653	0.4
197.11841	100.0
198.12172	3.9
223.09756	1.5
241.10838	12.4
242.11224	0.9
246.66452	0.4
253.09265	3.2
315.14288	0.6
364.83292	0.4
459.18753	1.0
477.19766	99.7
478.20248	9.9
478.26547	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	477.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01368	1.7
55.01875	2.7
56.85791	1.8
57.03426	2.4
59.01384	100.0
61.98823	3.2
62.81426	1.6
63.63424	1.6
69.75388	1.5
71.01384	55.6
71.13304	2.1
71.13618	2.5
72.99317	3.5
73.02944	16.5
74.56824	1.6
79.84438	1.6
83.01388	5.5
85.02957	24.3
87.00883	1.6
89.02454	21.0
95.01374	3.7
99.00883	4.2
101.02451	40.3
108.16399	2.0
113.02461	23.1
119.03504	9.6
143.03500	3.3
145.03000	3.3
159.02995	4.2
161.04585	32.6
176.71875	1.8
179.05672	2.3
191.05452	2.0
202.14526	1.8
315.18063	2.2
417.24954	48.5
418.25272	3.9
477.23355	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83259	0.6
55.01891	2.0
57.03456	1.7
58.00591	0.7
59.01384	100.0
60.01714	1.0
61.98837	1.0
62.62492	0.7
69.18969	6.2
69.78039	0.7
70.17093	0.7
71.01388	26.0
72.99324	0.9
73.02949	5.5
83.01411	2.6
85.02959	10.3
87.00906	2.9
89.02456	18.4
90.57500	0.7
92.26109	0.8
93.03499	0.9
95.01427	2.5
97.02994	0.8
99.00940	2.9
101.02454	26.2
113.02459	11.8
119.03519	9.3
119.05048	1.9
125.02509	1.2
134.06070	0.8
143.03488	3.6
145.03046	0.8
149.04611	1.3
159.03091	2.0
161.04556	19.8
161.05823	1.1
163.04114	1.0
173.04582	0.7
179.05638	6.9
191.05640	2.0
214.29881	0.9
246.93385	0.9
249.54263	0.7
253.83997	0.7
255.19759	1.9
273.17340	0.7
277.92755	0.9
380.64050	0.8
406.19977	0.7
417.24963	30.5
418.25235	3.5
477.27472	1.6
477.35205	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19235	1.2
55.01867	2.0
59.01384	100.0
60.30848	1.3
61.98841	8.7
68.91799	1.3
69.18241	12.4
71.01392	39.3
73.02956	7.4
83.01414	4.4
85.02957	14.7
87.53188	1.2
89.02454	21.3
95.01392	2.6
98.21722	1.6
99.00903	4.8
101.02451	30.1
113.02451	15.6
119.03508	12.0
123.65314	1.3
131.03522	1.8
137.83287	1.3
143.03505	3.9
145.03000	2.0
149.04533	1.8
159.02913	2.6
161.04578	21.5
172.10539	1.3
179.05650	7.0
179.10867	1.2
207.87813	1.5
208.44905	1.3
255.19772	2.7
417.24942	45.3
418.25308	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	477.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.2
59.01385	100.0
61.26400	0.9
69.29138	6.6
69.31931	0.9
71.01386	24.4
73.02962	8.1
74.61941	1.0
83.01386	2.1
85.02959	10.8
87.04520	1.0
89.02460	9.0
95.01392	2.4
99.00864	2.8
101.02455	16.8
113.02457	11.1
119.03468	5.2
143.03549	2.7
159.03014	3.8
161.04570	18.6
168.53970	0.9
172.39822	1.0
179.05666	2.6
217.53619	0.9
223.97736	1.0
226.27147	1.0
268.35440	1.2
417.24991	32.1
418.25433	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	477.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33327	0.8
68.10857	0.8
69.22934	6.6
75.58920	0.8
78.95894	1.3
85.56391	0.8
98.22509	1.0
117.03476	17.8
119.05042	9.9
121.02958	3.2
145.02966	100.0
146.03293	3.4
150.48065	0.7
163.04018	5.8
257.21268	8.4
317.24924	5.5
385.23871	25.0
386.24176	2.3
403.24890	20.9
404.25244	2.7
410.55603	1.0
477.28580	31.5
478.29022	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	477.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24169	1.1
57.02430	1.0
59.01390	1.4
62.17012	1.0
62.19203	1.1
62.97894	1.2
67.67249	1.2
71.30962	1.6
106.85315	1.2
117.03474	19.9
118.63428	1.3
119.05032	9.3
121.02969	2.4
145.02968	100.0
146.03316	3.9
157.16338	1.1
163.04053	5.0
187.96893	1.2
200.36346	1.2
207.75571	1.4
214.18568	1.3
214.20801	1.2
257.21280	8.3
277.21503	1.7
281.24832	5.8
284.89230	1.3
317.24686	5.5
385.23846	25.6
386.24304	3.0
403.24875	21.0
404.25345	1.7
463.16879	1.4
477.28598	35.1
477.35556	2.4
478.29095	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44958	0.7
59.01381	12.6
61.98834	100.0
65.29517	0.7
71.01388	5.2
71.31433	0.8
72.99292	0.7
73.02954	1.1
74.63063	0.6
85.02956	0.9
87.00954	1.1
89.02464	2.2
93.03471	1.3
101.02476	2.2
113.02473	3.0
119.05051	1.1
130.37210	0.6
131.56026	0.6
133.02986	1.0
134.03754	1.8
137.02480	1.6
145.03047	1.7
161.02493	2.3
165.05669	0.7
170.04640	1.0
171.10359	1.1
193.05080	1.9
194.05469	0.8
198.77010	0.7
211.56200	0.7
280.12863	1.0
290.23349	0.6
299.18625	3.6
311.04980	0.7
316.10577	0.7
390.13153	0.7
461.24097	0.9
478.14157	1.8
479.25067	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	478.9519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.3
71.01369	1.7
72.99297	1.4
73.02951	1.2
78.95911	0.9
80.96513	1.5
85.02951	1.9
95.01408	0.8
96.96021	2.6
113.02480	3.5
119.93723	0.8
121.74580	0.8
131.03481	0.7
134.96088	11.8
135.96173	1.0
136.94026	49.1
137.94096	3.0
151.92729	2.4
152.91785	13.5
152.92891	0.7
160.99129	0.7
167.90488	1.2
178.95076	84.8
179.95172	5.9
192.95853	1.2
194.92827	36.7
194.95619	1.7
210.90747	1.2
212.93860	3.3
250.93996	0.8
252.91875	2.6
292.95044	9.3
294.92957	14.3
295.93134	1.3
320.96252	8.4
321.96445	1.7
336.93997	100.0
337.94159	7.7
376.82217	1.5
377.30008	1.0
378.84381	1.1
412.04654	0.8
434.80841	0.9
436.90204	1.0
479.10788	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	479.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.9
58.00605	2.5
59.01382	86.2
61.98833	100.0
62.16824	1.7
69.21610	15.0
71.01385	47.4
72.99323	1.9
73.02955	9.7
74.94944	1.5
75.68954	1.5
83.01385	3.6
83.53638	1.6
85.02952	11.0
87.00892	3.4
89.02453	64.1
90.98595	2.3
95.01392	1.7
99.00903	2.0
101.02448	27.2
113.02460	11.5
119.03494	11.6
119.04965	1.9
126.56033	1.5
131.03519	15.4
134.58224	1.6
143.03534	2.4
145.03011	2.9
149.04550	39.9
149.05722	3.2
151.05962	1.9
161.04533	5.2
163.03914	1.8
179.05682	4.9
191.05634	13.5
215.43835	1.7
237.95702	1.5
242.20738	1.5
255.19638	3.8
257.17590	2.4
299.18674	4.0
317.14420	3.2
317.19589	3.7
331.17499	3.3
373.18314	1.7
419.19260	5.7
450.10403	2.4
479.24521	17.7
480.25571	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	479.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.0
57.03459	3.0
58.61799	0.7
59.01387	100.0
61.83071	0.6
61.98822	1.2
69.03457	1.9
71.01389	28.1
71.05041	1.2
72.01735	0.8
73.02953	6.1
74.65004	0.6
75.00875	0.8
78.96039	0.6
79.93847	0.7
81.03469	1.0
81.08901	0.6
83.01406	3.7
85.02965	12.5
86.23819	0.7
87.00906	2.8
89.02466	5.8
90.81680	0.6
95.01372	1.3
97.02970	3.7
98.22556	1.4
99.00887	5.3
100.82182	0.6
101.02460	7.5
109.02962	1.1
110.02477	0.9
111.00941	0.7
113.02463	12.1
113.03165	0.9
117.03521	0.9
119.03539	1.6
119.05053	0.8
121.02943	0.7
125.02456	5.0
131.03510	9.7
139.04070	1.1
141.02054	0.9
143.03542	2.2
143.10812	2.5
145.02998	2.1
148.04134	1.1
149.04810	2.9
149.06163	3.4
161.04596	3.2
163.04086	1.8
169.79362	0.6
171.10382	1.1
173.04587	0.7
191.05650	1.0
215.05626	15.7
225.11441	1.5
227.12851	0.8
233.06802	1.2
275.07904	2.4
287.15207	1.0
305.16037	6.1
330.15656	0.7
388.66766	0.8
419.19189	6.1
437.20233	4.1
443.15997	2.4
479.20648	2.7
479.26093	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	479.229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26828	1.6
59.01381	7.8
67.81998	1.8
69.03461	2.9
71.01406	4.3
76.43423	1.9
81.03476	3.8
83.05050	8.1
93.03481	4.5
95.05049	13.0
97.02978	3.3
97.06594	30.1
98.22533	5.0
107.05036	3.9
108.02192	4.3
109.06608	5.3
111.08238	1.9
111.16442	1.6
119.08664	2.1
119.48366	1.8
121.45212	1.8
122.06956	2.0
125.09712	19.6
133.06606	2.6
135.08186	8.3
137.06096	2.0
137.09770	1.9
139.07663	3.6
145.06601	2.0
147.08139	12.1
161.06133	6.0
161.09782	2.0
163.07716	8.9
163.11333	4.6
165.09274	2.4
171.10323	2.9
175.11322	3.5
181.08720	5.5
185.11885	2.8
187.09727	3.6
189.09235	4.1
191.07133	6.6
191.10818	5.8
207.10234	3.3
209.08101	1.8
209.11835	16.0
217.08809	4.1
219.10190	4.2
223.13460	2.9
225.11453	2.0
229.13174	2.0
235.09784	2.9
237.11363	7.4
255.17436	2.2
263.12878	4.4
271.16971	2.7
289.18192	4.7
299.16568	6.8
315.15961	5.9
317.17673	8.5
325.18112	4.1
341.17642	5.3
343.15485	6.6
343.19327	6.3
345.17337	2.1
369.17017	5.2
373.20242	2.0
387.18073	6.3
391.20850	4.9
407.20813	6.6
417.19110	32.0
418.19952	3.4
435.20239	100.0
436.20734	9.3
443.20605	8.8
461.21848	52.5
462.21991	5.5
479.22763	32.1
480.23495	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	480.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	23.9
61.98835	100.0
71.01391	8.0
71.32265	0.9
73.02946	6.3
83.01387	2.9
83.05036	1.3
85.02964	3.3
86.17116	0.9
87.00916	1.1
89.02441	2.5
93.03461	1.1
95.01392	1.1
101.02451	11.0
113.02456	4.6
117.03515	1.1
119.03531	2.1
119.05037	2.1
131.03502	1.5
133.02956	1.2
134.06116	4.1
135.04494	1.2
135.99045	1.1
145.02940	1.4
149.04543	1.5
161.04576	4.1
163.04018	2.6
178.05171	3.1
180.06717	1.6
191.05675	1.2
289.16559	5.5
372.55270	1.0
421.21008	1.8
452.20535	1.0
480.30814	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	480.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28677	2.0
59.01386	46.5
61.98835	100.0
69.05941	1.6
69.09898	17.0
70.62812	1.8
71.01382	8.1
73.02946	3.5
77.42885	1.6
82.89556	1.7
85.02947	3.8
87.00871	1.6
89.02431	5.6
97.06579	1.9
98.22530	3.7
101.02452	6.2
109.86134	1.6
113.02507	3.9
119.05003	3.6
133.02908	2.1
134.03737	12.5
135.04581	2.1
143.03447	1.7
149.04581	3.6
173.04596	1.7
178.02771	2.2
191.05547	3.1
205.30754	1.9
290.85342	1.5
307.11871	10.0
331.17487	4.7
362.75787	1.8
438.32605	1.6
481.17538	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	480.178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96497	0.4
52.02304	0.4
56.19395	0.4
58.00303	0.4
59.01368	0.6
61.98818	0.7
66.64635	0.4
69.50957	2.7
86.98403	0.4
95.49124	0.4
98.87677	0.5
134.06152	1.6
136.07686	7.4
145.71013	0.4
162.05632	3.8
183.09253	0.5
185.10870	4.2
197.07175	0.7
197.10803	0.6
198.07965	1.0
209.07155	0.7
211.08754	5.5
212.09515	1.3
213.10336	19.4
214.07478	0.6
214.10905	1.6
215.11902	1.9
223.08766	0.6
225.06528	2.2
226.07433	1.7
227.11948	0.5
229.13506	1.2
231.11726	0.5
235.53212	0.5
239.08269	20.6
240.08974	5.8
241.09831	33.0
242.10260	2.2
249.00778	0.5
255.11456	1.9
256.08527	0.6
257.09290	0.7
266.07004	1.4
267.07748	27.8
268.08292	2.9
269.09177	0.8
271.10840	0.6
273.12485	7.8
281.09384	0.7
283.07236	1.3
297.08841	1.2
298.09521	1.1
299.10385	100.0
300.10733	6.5
317.11435	58.3
318.11758	4.3
343.09488	0.5
408.76370	0.4
461.16403	0.6
480.17773	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	480.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28596	2.7
57.03444	4.1
59.01391	31.6
61.98826	3.2
69.62382	10.3
69.62796	6.4
71.01388	70.4
72.99326	3.3
73.02950	17.7
76.56932	2.7
80.09457	2.8
83.01398	7.2
85.02956	29.3
89.02460	19.4
90.80183	2.5
95.01414	4.0
99.00891	8.4
99.45885	2.5
101.02450	44.3
111.00835	3.2
113.02460	25.9
119.03441	3.5
119.18450	2.7
125.02410	2.8
129.01945	5.5
131.03526	2.8
132.10190	3.0
135.04489	2.7
142.36046	2.8
143.10751	5.9
145.02927	6.9
149.04581	4.6
159.03040	4.2
161.02556	3.9
161.04597	27.8
163.04024	8.8
189.01857	3.1
191.05634	4.4
283.63818	3.5
293.08893	3.7
305.16086	100.0
306.16434	5.9
437.20364	71.0
438.20734	5.7
449.74463	3.0
480.14990	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	480.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	7.6
59.01387	49.1
69.21939	24.8
71.01023	6.3
71.01389	77.6
71.96037	3.4
73.02959	24.8
83.01389	9.7
85.02956	31.5
89.02460	28.4
92.97521	6.9
93.03477	5.8
94.97234	6.1
94.98100	12.1
95.01427	7.5
97.02958	3.9
99.00901	10.9
101.02455	52.0
113.02466	35.5
117.03480	15.2
119.03532	5.4
119.05033	24.7
125.02422	7.0
143.10808	16.0
145.02975	49.9
149.04567	12.1
154.05096	9.5
159.38805	3.4
161.04575	36.5
163.03983	30.9
172.06221	5.7
187.03947	7.8
188.19800	3.5
191.05627	9.6
194.83525	3.3
201.03722	3.9
277.07205	3.9
293.08752	3.9
300.23633	4.7
305.16092	100.0
306.16354	4.7
331.75540	3.7
437.20331	69.6
438.20755	6.2
463.25598	5.2
480.15448	4.2
481.26633	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	480.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74169	0.4
59.01382	3.6
61.98834	100.0
67.01897	0.7
67.77643	0.4
71.01395	1.6
71.29786	0.9
76.97308	0.4
81.02979	0.4
81.03483	0.4
85.02972	1.4
87.00898	0.6
93.03461	2.1
97.06678	0.4
101.02456	0.6
104.41846	0.4
113.02461	1.1
119.05045	1.7
133.02969	0.8
134.03731	0.4
134.06174	0.6
135.04530	0.8
138.05588	0.6
145.03020	0.9
147.50301	0.5
161.02486	0.5
163.04016	1.0
173.04622	1.1
180.06871	0.5
191.04233	0.4
191.05600	2.6
204.93141	0.4
226.06543	0.5
227.03474	0.5
241.08806	0.5
255.02946	0.6
275.09290	0.5
283.96460	0.4
284.03275	1.0
285.04062	1.0
420.25879	0.5
425.14777	0.6
426.41672	0.5
480.25024	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.6
61.98838	100.0
67.01907	2.2
69.03482	0.6
71.01392	3.7
71.29912	0.8
83.01399	0.6
83.05031	0.7
85.02966	1.4
85.24802	0.4
86.80841	0.5
87.00887	2.3
89.02478	1.0
93.03470	13.4
93.04034	1.0
99.00880	0.8
101.02467	1.7
111.04557	2.1
113.02476	1.3
119.05074	1.6
132.25284	0.4
133.02986	0.8
134.02827	0.5
134.03717	2.5
135.04593	0.6
143.03549	0.6
145.02972	1.2
152.99681	0.8
161.04616	1.2
163.04091	1.4
173.04594	8.4
173.06039	0.8
174.79858	0.4
191.05702	1.3
201.30246	0.5
220.03841	0.7
246.73117	0.4
264.42050	0.6
264.44904	0.5
289.16556	3.2
290.16730	0.4
296.74475	0.5
320.54724	0.4
421.20914	2.2
424.23801	0.5
425.14896	0.7
449.14810	1.6
481.17068	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	480.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.2
61.70789	0.3
61.98835	100.0
62.98511	0.4
68.10212	0.3
69.52042	0.6
69.52453	1.5
71.01385	1.6
73.02946	0.5
74.77080	0.4
85.02972	0.7
89.02466	0.5
93.03483	1.1
93.47337	0.3
97.06610	0.3
101.02482	0.9
113.02467	1.0
117.08514	0.3
119.05029	0.7
133.02995	0.6
134.03729	0.4
137.02457	0.5
145.02992	0.8
163.04091	0.8
173.04605	0.6
177.02013	0.6
177.64445	0.3
191.05722	1.4
218.59825	0.4
269.76782	0.4
289.16684	0.6
421.21298	0.5
481.16843	0.5
481.29446	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	1.2
59.01385	6.6
60.99313	5.6
61.98834	81.0
67.01896	15.4
69.03467	4.4
69.16585	6.6
71.01384	7.9
73.02928	0.7
78.95915	1.0
79.95730	1.6
81.03455	4.0
83.05026	2.1
85.02954	2.1
87.00881	20.2
89.02441	1.1
93.03465	100.0
96.96021	8.5
99.00882	2.3
99.04533	1.4
101.02447	2.0
105.03439	0.8
109.02993	1.1
111.04529	13.1
113.02457	4.5
119.05025	2.4
121.02963	1.1
125.23933	0.6
129.01978	2.7
133.02953	4.9
134.03755	11.1
135.04550	4.5
137.02458	2.9
145.02950	1.3
147.74620	0.7
155.03531	2.4
161.02437	1.4
163.04012	3.1
173.04555	59.6
177.01962	2.3
178.02707	9.6
179.03487	2.6
191.05608	1.9
201.09280	0.9
215.07120	1.1
220.03862	1.5
221.03999	0.7
227.03589	1.0
247.19313	0.8
257.08322	0.9
275.09299	1.6
277.14935	0.8
351.07153	0.9
352.08246	1.1
425.14471	1.2
449.14545	33.4
480.32492	1.4
481.16769	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	481.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.6
59.01383	3.9
60.99309	5.7
65.03966	0.7
67.01897	15.1
69.00697	4.1
69.03465	4.0
71.01394	5.7
71.05042	0.5
72.99345	0.4
81.03463	2.8
83.05019	2.0
85.02954	1.5
87.00881	18.8
89.02487	0.4
93.03468	100.0
94.03802	2.2
97.06602	1.3
99.00911	2.2
99.04524	1.5
99.73066	0.4
101.02453	1.4
109.02954	1.3
111.04536	14.5
113.02501	1.9
114.07469	0.4
115.04041	0.9
120.50593	0.4
129.01968	2.3
132.56752	0.3
133.02959	1.0
134.03758	19.6
135.04492	1.7
137.02455	1.7
143.03546	1.0
148.66582	0.4
152.99626	0.6
155.03523	3.7
156.03914	0.4
173.04564	66.9
174.05000	1.9
177.01920	0.6
178.02769	3.3
185.51257	0.4
191.05643	0.9
231.10358	0.5
275.09189	0.7
289.16830	0.5
307.11829	3.9
314.42609	0.4
421.20627	1.7
449.14560	9.9
450.14716	0.7
481.17200	29.7
482.17670	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	481.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.2
59.01371	2.3
60.99323	5.4
61.98839	1.0
64.17569	0.8
67.01897	13.7
69.03468	4.3
71.01387	4.7
73.02949	1.2
81.03465	2.8
83.05033	2.6
85.02923	0.9
86.44749	0.9
87.00887	19.1
93.03468	100.0
94.03809	1.6
99.00917	1.9
99.04523	1.7
111.04532	15.3
113.02423	2.6
115.04114	0.7
129.01994	1.9
133.02968	3.3
134.03760	8.7
135.04541	2.5
137.02469	2.8
140.60410	0.7
155.03526	2.1
158.91910	0.8
173.04565	58.9
174.04887	1.8
177.01921	1.2
178.02757	9.5
179.03413	0.8
191.05804	1.4
203.64224	0.8
308.09164	1.4
445.19748	1.0
449.14539	39.5
450.14944	4.1
481.17206	15.3
482.17581	2.3
509.28769	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99743	0.4
55.01881	2.4
55.51856	0.4
57.03449	4.9
58.00368	0.4
58.00603	4.0
59.01385	86.6
60.01708	0.9
61.98832	1.6
66.49950	0.4
68.48029	0.4
69.03465	3.4
71.01388	100.0
71.28912	0.4
71.29288	0.5
72.01725	1.0
72.99313	5.4
73.02953	17.2
75.00880	1.4
81.03467	1.4
81.07126	0.5
83.01392	8.5
84.02210	0.5
85.02959	26.5
87.00883	5.0
87.04527	3.8
89.02452	86.2
90.02789	0.7
93.03497	0.5
95.01391	4.4
97.02959	3.8
99.00886	8.8
99.04543	0.4
101.02452	55.0
102.02798	0.7
111.00878	0.8
113.02461	29.8
113.06161	0.6
114.02791	0.5
115.04037	0.6
119.03515	18.2
119.05020	1.2
121.02978	1.1
123.00880	0.4
125.02451	7.2
128.99281	1.8
129.01965	1.0
131.03520	16.4
131.05104	1.1
133.06625	1.2
135.04599	0.6
137.02484	1.0
143.03506	5.8
144.26486	0.5
145.02969	1.4
149.04568	27.8
153.05551	0.8
153.09288	0.6
159.03000	3.1
161.02406	1.3
161.04578	29.3
161.06039	2.0
162.04968	0.9
163.04007	0.5
172.98270	2.6
173.04453	0.5
177.05656	0.8
179.05627	4.2
181.08740	0.5
185.11858	0.8
187.13409	15.3
188.13762	0.4
191.05649	7.9
192.06035	0.5
205.03589	1.0
205.05106	2.0
210.17084	0.5
215.05621	0.9
229.14468	0.6
231.06459	0.4
233.06622	2.1
271.15646	1.1
273.07593	0.5
283.15488	0.9
293.08844	4.2
301.07187	0.5
319.08224	1.9
331.17682	0.9
349.18698	96.2
350.19019	6.8
464.15436	0.5
481.23026	39.3
482.23117	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	481.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.5
55.06213	3.0
57.03460	3.1
58.02631	3.2
59.01377	49.8
61.98834	38.8
69.27955	7.3
69.28369	13.3
71.01390	52.1
73.02956	17.2
74.99095	4.0
83.01402	9.7
85.02966	27.1
89.02448	12.6
93.03468	6.8
95.01391	5.0
97.06593	3.7
99.00881	6.9
101.02457	40.0
113.02496	17.2
117.03497	3.1
119.05032	18.0
133.02972	5.8
134.03773	5.6
134.06142	7.4
135.04584	3.9
137.02489	5.5
137.09723	6.4
140.07161	3.5
145.02971	10.2
148.05310	8.7
159.03001	3.8
161.02498	3.5
161.04601	15.3
161.05682	3.0
163.04015	16.1
178.05048	3.5
179.03632	3.1
191.05669	6.3
215.04744	3.2
233.21167	3.1
277.14438	4.9
289.16592	100.0
290.16858	6.8
421.20801	40.8
422.21567	3.1
425.14587	12.9
440.13257	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	481.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.3
58.00578	0.6
59.01088	0.8
59.01382	12.1
60.99310	5.2
61.98829	1.1
65.03947	1.3
67.01897	16.3
69.03461	5.3
69.29396	2.2
69.29821	1.6
71.01385	12.5
72.99310	0.8
73.02948	3.8
78.95918	1.1
81.03463	3.3
83.01390	1.1
83.05014	2.7
85.02956	4.6
87.00883	20.6
88.01155	0.5
89.02459	4.1
93.03464	100.0
94.03802	2.1
95.01414	0.6
97.02974	0.6
97.06593	1.8
98.21795	1.0
99.00906	2.5
99.04536	1.6
101.02444	5.5
104.53481	0.5
105.03516	0.5
107.18503	0.5
109.02969	1.5
111.00874	1.4
111.04533	12.5
112.04838	0.5
113.02463	4.3
115.04015	1.2
119.05013	1.1
125.02464	0.7
129.01974	2.8
131.03528	2.3
131.14023	0.4
133.02971	1.8
134.02724	1.0
134.03757	20.9
135.04555	3.1
137.02440	2.6
143.03488	0.9
145.02962	1.3
149.04613	1.1
152.99620	1.3
155.03508	4.2
161.04546	1.8
163.04033	1.2
173.04558	75.5
174.04869	2.1
177.01974	1.5
178.02736	3.6
179.03462	0.6
191.05632	6.6
193.31554	0.5
231.10335	1.2
245.09343	0.6
275.09286	1.5
278.91336	0.4
289.11050	0.6
289.16547	3.3
307.11926	4.3
308.12573	0.6
350.09879	0.5
421.20837	12.5
422.21008	0.8
449.14560	8.8
450.14954	0.6
481.17178	30.7
482.17575	3.5
502.73218	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89748	0.8
59.75369	0.8
69.74129	2.5
69.74543	1.9
73.21761	1.0
78.95911	46.1
86.75676	0.7
87.18973	0.8
96.96982	3.5
108.43080	0.8
110.69640	0.8
119.41676	0.8
134.28943	0.8
145.39374	0.8
152.99606	55.0
162.95338	0.7
171.00662	17.8
189.00505	0.9
227.03262	2.6
245.04332	100.0
246.04745	2.8
253.21758	66.9
254.22043	4.3
297.30084	0.9
394.99329	0.8
481.25784	30.3
482.26221	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	481.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96422	1.0
70.43216	1.0
75.06176	1.1
78.95912	45.9
96.96976	3.6
121.59632	1.0
124.87258	1.1
152.99603	51.1
171.00648	17.3
197.56607	1.1
227.03252	2.6
245.04323	100.0
246.04646	1.9
253.21739	60.0
254.22148	4.3
426.59796	1.5
481.25681	32.0
482.26465	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	481.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	53.6
60.32225	0.7
61.98819	0.7
70.69570	2.1
71.01381	2.4
73.02945	0.9
75.00877	5.0
85.02953	0.9
89.02456	3.7
93.03484	1.1
100.90352	0.8
101.02450	1.7
106.60112	0.7
113.02476	1.5
117.03454	0.9
119.03548	0.9
119.05037	2.5
121.02998	1.7
124.92114	0.7
131.05054	2.5
131.07150	100.0
132.07480	2.5
133.06609	1.5
135.50255	0.8
143.03452	0.9
144.96249	0.8
145.02951	1.5
149.04565	2.0
159.52205	0.7
161.06102	2.7
163.03928	0.7
177.05559	1.6
179.05629	1.3
205.05051	3.3
215.07390	0.9
270.46344	0.7
349.18738	1.0
481.17361	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	482.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87345	1.1
59.01376	20.0
61.98834	100.0
69.01514	1.2
70.21722	1.1
71.01396	9.8
71.32632	2.2
73.02957	8.8
74.91129	1.1
80.71074	1.0
81.37773	1.1
83.01390	3.5
83.04994	1.1
83.62003	1.0
83.71853	1.0
85.02946	2.2
89.02450	1.8
101.02438	10.2
102.98819	1.0
107.81513	1.2
113.02463	4.4
133.02939	7.3
134.03740	1.2
135.04536	1.4
143.03430	1.1
148.05301	2.0
161.02452	2.1
161.04579	2.2
183.10284	1.6
207.10237	1.4
225.11345	2.2
236.13663	1.4
252.19704	1.2
315.49213	1.1
391.20877	1.6
482.19147	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	482.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82541	2.1
55.01869	3.5
59.01388	36.6
61.98835	7.0
68.58044	2.2
69.49879	6.3
69.50292	9.8
71.01386	35.9
73.02955	10.6
76.64073	2.1
78.95919	5.0
83.01391	4.4
85.02960	16.9
89.02466	13.7
95.01417	2.9
96.96046	4.0
96.96986	5.4
98.01536	2.3
99.00893	6.5
101.02463	35.8
111.00921	3.1
113.02471	13.9
125.02441	3.1
127.34154	2.2
143.03513	2.6
148.04088	5.9
149.04663	2.7
150.05627	2.9
159.03056	3.1
161.02464	2.7
161.04597	19.1
191.05603	4.5
202.10005	6.9
217.12296	5.0
229.06316	2.6
253.36348	2.4
257.08878	3.2
272.11475	2.1
307.17639	100.0
308.17969	7.3
316.10742	3.7
438.20575	4.1
439.21893	50.6
440.22296	5.1
464.25900	2.9
482.12115	2.3
482.19476	8.3
482.26929	23.0
483.27411	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	483.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.1
62.54116	1.1
63.82178	0.9
67.70473	1.1
69.00967	2.2
69.01369	9.1
71.01379	2.1
81.03454	1.3
85.02966	10.6
93.03483	2.5
96.78719	1.0
98.21792	2.5
101.02434	1.4
111.00931	1.8
111.04505	1.4
118.56104	1.1
127.03999	1.9
129.01981	1.6
142.05121	3.7
161.82364	1.0
173.04576	2.8
189.04124	1.2
191.05630	100.0
192.05957	2.4
291.07245	2.2
298.79556	1.2
341.10913	2.1
351.73102	1.0
410.37274	1.3
444.22638	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.1
61.67252	1.0
69.10577	0.9
69.36087	4.6
69.36488	2.0
71.01389	9.2
73.02942	2.0
78.95912	31.4
79.95737	3.8
85.02965	3.3
89.02446	2.5
95.01395	1.2
96.96023	100.0
96.96978	55.3
98.13206	1.1
98.22512	1.5
99.00906	1.1
101.02444	4.8
113.02451	3.5
118.96645	3.4
133.02914	0.9
149.04550	2.1
155.93913	1.1
161.04591	3.8
191.05647	2.4
205.12344	1.9
217.00246	1.8
225.91310	1.1
305.16061	11.3
338.36844	1.1
423.13589	2.3
432.34363	1.3
437.20392	9.8
483.15372	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	483.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65852	10.0
56.80775	9.0
59.01383	78.1
65.07831	9.0
71.01396	13.8
71.29658	12.5
71.41954	10.6
87.00919	21.0
92.71372	11.0
93.03463	36.4
101.45835	10.3
111.04539	20.2
117.00458	11.4
119.05040	34.1
126.98897	20.4
129.05569	94.4
137.02487	10.4
155.03531	13.2
162.53294	12.3
165.14635	12.4
168.99995	14.9
173.04575	100.0
173.08208	10.1
175.02467	27.5
206.43880	11.8
215.04195	10.8
325.04224	25.2
341.01843	21.4
356.14261	11.3
356.66214	10.9
362.98672	16.1
423.00977	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	483.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68929	0.4
71.32464	0.9
78.95911	8.8
95.30120	0.4
96.96992	1.1
147.18611	0.5
152.99606	15.8
171.00671	0.9
227.03352	2.3
245.04149	1.1
255.23315	100.0
256.23663	6.6
399.17828	0.5
483.27322	17.2
484.27820	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	484.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38528	0.5
54.86963	0.4
56.96871	0.5
58.33609	0.6
58.87266	0.4
59.01391	2.0
59.28413	0.5
61.98838	100.0
71.01376	0.9
71.28979	0.5
71.29411	0.4
73.02964	0.6
73.31995	0.4
89.02438	0.6
99.09579	0.5
101.02480	0.5
113.02496	0.5
125.32240	0.5
155.02722	0.5
168.27037	0.4
485.31369	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	100.0
65.15946	18.3
206.53789	20.5
279.19983	22.3
406.47473	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77278	17.6
52.46156	16.4
59.01381	100.0
61.98838	57.4
62.63510	16.8
71.01390	27.7
71.30715	30.2
85.02986	22.2
89.02430	24.3
93.03490	39.5
93.94314	16.7
122.47231	15.7
125.18198	18.2
133.02975	43.5
135.04593	23.3
191.05562	31.3
235.08746	20.0
422.44882	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	484.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01273	1.9
57.03444	3.0
59.01369	3.3
61.98826	3.9
71.01379	2.0
71.05017	2.7
84.04542	6.3
92.94025	1.9
96.48470	1.7
98.21786	4.2
128.03525	12.1
133.02951	3.7
143.10805	6.0
160.84203	5.1
167.14433	75.3
168.14717	4.2
180.14030	2.3
185.11835	8.9
194.15511	5.5
199.09761	2.1
211.13403	83.4
212.13771	3.6
229.14474	71.0
230.14722	2.7
254.14926	4.3
254.17633	81.9
255.17912	5.1
272.15106	7.2
298.16626	7.2
484.29218	100.0
485.29684	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	485.188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01088	5.2
59.01385	100.0
60.38145	4.3
69.75660	3.8
71.01388	75.0
71.28431	5.6
72.99304	4.1
73.02945	6.2
73.48121	3.4
81.53060	3.8
85.02953	11.0
89.02457	80.0
97.02950	3.9
101.02451	37.6
113.02458	26.5
118.96614	4.1
119.03521	33.3
129.35701	3.7
131.03523	4.5
143.03555	9.5
161.04556	17.2
171.12630	4.3
179.05609	34.7
187.59537	3.8
201.02536	4.7
221.06673	5.3
357.51392	4.1
425.08997	9.6
425.16644	18.9
454.08990	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	485.2032
Annotation	4-[6-[(6-O-Acetyl-beta-D-glucopyranosyl)oxy]-3-methyl-2-oxohexyl]dihydro-3-methylene-5-(2-oxopropyl)-2(3H)-furanone
Peak:m/z	Relative Intensity
52.88766	0.8
55.01857	1.4
57.03450	2.0
58.00603	1.0
59.01385	100.0
61.98838	2.2
68.24347	0.9
69.03465	1.4
69.34706	5.8
71.01388	33.1
72.01756	1.1
72.99298	2.6
73.02955	11.3
75.00891	0.9
83.01411	4.6
83.05026	0.8
85.02962	13.7
87.00880	2.4
89.02449	18.5
93.03474	1.0
95.01416	2.9
95.05018	1.4
96.96021	1.3
97.06603	1.2
99.00888	3.1
99.04520	1.0
100.17855	0.9
101.02455	24.4
113.02451	13.9
119.03526	8.5
125.02503	1.1
135.04529	2.8
143.03569	1.6
145.02995	2.9
149.04646	0.8
161.02452	2.9
161.04597	4.5
163.04050	1.6
165.01953	1.2
169.10210	1.0
173.04597	1.5
179.03496	3.2
179.05666	2.2
189.12863	1.4
191.05659	7.3
214.61752	0.8
219.13914	1.3
237.15024	1.5
281.13824	1.2
323.05603	1.0
378.93698	0.9
399.20398	1.1
425.18359	3.1
443.19241	3.8
485.20358	98.9
486.20813	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	485.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.1
59.01381	59.9
60.99269	2.0
61.98835	15.6
67.01895	4.1
71.01385	14.1
71.31557	2.5
73.02959	2.5
83.01373	1.7
83.05003	3.8
85.02962	10.0
87.00884	5.5
89.02456	6.8
93.03465	35.5
94.03818	1.9
99.86398	1.6
101.02450	11.1
104.67300	1.6
107.05077	2.1
109.02963	5.3
109.06603	3.0
111.04533	5.9
113.02452	10.0
119.03512	2.8
121.02973	2.2
123.04517	1.5
125.06051	2.6
127.04080	1.9
134.03770	8.1
135.04530	5.9
136.01682	6.0
136.05296	2.4
137.02426	5.5
149.84563	1.5
151.03958	3.1
151.07631	2.8
152.99512	2.3
159.09402	1.9
161.02455	4.9
161.04617	2.2
161.09607	1.6
163.03970	1.8
173.04565	23.4
189.09331	1.8
189.12910	3.2
191.05615	64.2
192.05923	2.0
201.12862	9.7
203.10799	10.9
204.11545	16.6
207.10228	4.4
219.13901	20.6
229.06116	2.0
245.11844	3.5
259.09451	1.7
263.12878	100.0
264.13220	6.9
287.12842	4.8
303.53543	1.8
305.13919	5.9
311.11298	2.4
323.10431	2.5
393.58185	1.7
467.15601	32.0
468.15872	2.3
485.16684	15.0
485.23932	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	485.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20161	2.8
53.24575	2.7
55.01887	3.3
57.03423	2.8
59.01382	45.2
61.98838	13.5
69.66435	16.4
71.01395	38.0
72.99317	3.3
73.02943	14.1
78.95906	11.6
83.01380	10.8
85.02962	26.3
87.00896	4.4
89.02447	16.6
94.79632	3.0
95.01395	5.8
96.96965	15.8
97.33569	3.6
98.21828	3.7
99.00897	8.3
101.02451	41.2
113.02451	17.5
114.19501	2.8
116.65658	2.9
120.04604	3.1
121.02927	4.3
128.03523	3.0
135.04530	5.3
138.05598	7.3
143.62790	2.8
159.03036	3.5
161.02554	4.7
161.04555	11.8
163.04013	6.0
176.01172	11.6
182.04611	5.3
191.03490	10.7
191.05588	5.6
196.06174	4.3
231.10072	3.1
231.15167	3.2
293.16071	100.0
294.16296	4.0
330.94571	3.6
425.20337	50.6
426.20624	4.0
485.19742	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	485.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	2.3
59.01386	48.8
59.78924	2.2
61.98834	13.8
62.12220	2.0
64.05016	2.3
67.50443	2.1
69.03465	2.4
69.84214	11.4
71.01383	56.0
72.99336	3.5
73.02946	17.8
75.00885	3.5
75.81697	2.1
78.48502	2.4
78.95904	13.9
79.89670	2.1
83.01392	9.6
85.02960	23.9
87.00870	3.3
89.02449	17.3
93.03503	5.4
95.01438	2.7
96.96027	4.9
96.96961	23.7
97.02941	2.4
99.00895	8.8
101.02446	40.6
111.00812	3.2
113.02464	25.2
119.03519	5.3
119.05032	4.8
120.04594	4.6
121.02941	3.1
131.03537	3.1
131.10796	2.4
135.04541	3.5
138.05618	7.9
145.02992	3.5
148.59645	2.3
159.02965	4.6
161.02524	3.4
161.04543	17.4
163.04015	4.2
170.70584	2.1
176.01189	4.1
179.03531	3.2
179.05684	2.3
182.04602	6.2
183.16154	2.5
191.03529	8.3
191.05658	6.0
232.86473	2.4
234.28171	2.2
293.16086	100.0
294.16504	6.0
344.09753	4.5
425.20331	51.1
426.20544	4.6
485.11969	3.5
485.20618	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	485.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
55.96053	0.1
56.43488	0.1
57.03433	0.2
58.00581	0.3
59.01384	8.2
61.98830	0.1
64.56953	0.1
68.98328	1.7
69.03471	0.2
71.01389	5.3
72.99305	0.4
73.02957	1.2
75.88033	0.1
81.99245	0.1
83.01389	0.6
83.05028	0.6
85.02962	1.3
87.00889	0.9
89.02452	5.1
91.04041	0.2
92.99368	0.1
95.01395	0.3
97.02954	0.2
97.06615	0.2
99.00912	0.2
101.02457	5.2
101.03117	0.3
103.03989	0.2
113.02461	2.4
115.04086	0.2
115.76301	0.2
119.03506	1.4
129.01918	0.2
131.03474	0.2
133.05072	0.3
141.87747	0.1
143.03510	0.5
160.84227	1.2
161.04568	1.6
177.16463	0.4
179.05582	0.7
204.20711	0.2
205.19583	0.9
231.17529	0.6
235.08340	1.0
247.17120	0.3
249.18611	100.0
250.16267	0.3
250.18938	6.7
253.09302	16.4
254.09625	0.6
326.70718	0.2
399.97379	0.2
445.85370	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	486.093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	12.5
59.45730	2.0
61.98838	3.4
67.01885	2.0
69.72929	9.4
71.01373	14.2
74.63647	2.0
79.95753	2.6
88.33453	1.8
89.02454	5.3
90.97137	2.9
92.05080	2.8
94.94790	1.8
96.96023	71.1
98.22442	3.2
101.02451	4.2
108.02187	15.3
113.02445	11.1
118.96648	7.6
119.03526	3.5
119.05027	4.6
123.04527	6.1
132.98216	2.8
152.01158	17.0
161.04715	2.1
167.03508	24.3
179.05573	3.8
186.99263	4.6
206.01352	2.6
234.04532	4.6
236.02429	20.4
248.02315	2.6
250.04031	3.5
260.02368	2.4
262.04031	12.2
263.96179	2.2
276.01926	3.4
278.03488	5.3
280.05109	18.2
282.03012	4.5
294.03131	4.8
306.02979	21.0
306.13464	4.5
324.04166	2.3
325.02490	11.2
336.04169	6.4
341.11008	10.0
366.05377	2.5
367.03424	9.1
426.07214	100.0
427.05865	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	486.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87118	0.7
53.77626	0.7
59.01379	7.3
61.98833	100.0
70.53782	1.8
70.54131	0.8
71.01397	3.8
71.01745	0.8
71.29569	0.7
73.02956	1.8
81.03487	0.7
83.01406	1.0
85.02994	1.3
89.02460	1.6
93.03475	1.0
101.02474	2.4
113.02487	2.6
116.92863	1.1
120.35763	0.7
123.04552	0.8
135.08211	2.6
142.02779	0.9
161.04575	0.8
189.12833	3.4
191.05629	0.8
207.13974	0.8
209.16156	0.7
215.10654	1.0
220.96869	0.8
223.13458	0.9
233.11856	8.5
251.12820	5.7
253.09351	2.1
267.12354	0.7
487.22104	2.9
487.26257	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	486.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16529	0.4
59.01375	3.3
61.98837	100.0
66.42970	0.5
68.73910	0.5
71.01392	1.6
71.15129	0.6
71.29636	0.7
83.04992	0.6
85.04094	0.6
91.80984	0.6
100.57071	0.6
101.02451	1.2
105.03842	0.6
113.02551	0.7
129.02023	0.5
135.08139	0.8
140.33946	0.7
150.87961	0.5
187.44284	0.5
189.12843	0.8
191.20758	0.5
223.13332	0.6
233.11955	2.3
251.13016	1.4
258.74326	0.6
267.12375	0.5
355.20102	0.6
487.26251	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73338	1.8
57.03442	3.3
59.01379	52.3
61.98823	6.4
68.18426	1.8
69.29767	9.1
69.30183	5.1
71.01389	19.7
73.02937	4.9
75.00827	3.2
85.02951	9.0
89.02457	8.6
89.55141	1.9
93.03468	74.2
94.03841	2.6
95.01351	1.9
96.96067	2.5
99.00919	5.5
100.84049	2.2
101.02452	13.6
113.02446	22.7
117.03484	3.4
119.03521	2.4
119.05003	4.5
122.06141	2.2
131.66196	2.2
145.02962	72.6
146.03705	3.7
147.04515	2.1
148.04019	3.4
150.05597	2.8
153.34132	2.0
158.03775	2.8
159.04520	18.9
161.02461	2.6
161.04576	2.8
161.06107	6.6
163.03908	2.2
171.04501	2.0
186.03233	6.0
187.04013	27.5
191.05670	4.3
199.04079	2.5
201.05710	2.5
203.03540	3.6
205.05110	4.8
209.12094	2.0
213.01959	4.0
213.05525	3.4
214.02721	5.9
221.15392	4.0
225.05576	4.5
231.02988	6.7
235.07579	6.7
237.05620	6.3
237.09161	2.4
239.07060	7.5
250.06480	2.9
251.07091	7.3
252.07875	2.0
253.08710	33.3
254.09003	2.3
261.05588	1.9
263.07013	5.5
265.05151	11.9
265.07855	1.7
265.14471	15.2
267.06400	2.5
279.06674	6.2
281.08163	15.5
283.06143	8.4
295.06125	2.0
297.07690	2.9
307.06116	22.3
309.07559	3.7
321.07471	2.7
323.09280	14.4
325.07181	100.0
326.07489	8.7
339.08734	8.7
349.07159	38.2
367.08209	31.5
368.08783	2.7
397.09308	4.4
427.10461	4.8
469.16202	3.7
487.25919	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	487.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.4
61.98833	1.6
69.54793	4.2
71.01395	4.2
72.46288	0.9
73.02935	2.8
83.01360	1.0
83.71709	0.7
85.02934	0.8
89.02447	2.1
94.03777	0.8
98.22492	1.2
99.00894	4.2
101.02441	2.4
113.02472	2.1
119.05049	1.1
121.02968	1.5
133.02960	2.0
134.03749	91.7
135.04240	2.5
137.02441	11.1
139.04030	3.0
145.02893	0.7
149.06091	41.7
150.03169	1.0
150.06393	2.0
163.04031	0.9
175.03990	1.5
178.02727	46.1
179.03252	2.4
191.07143	1.4
192.04214	0.7
193.05066	75.8
194.05446	3.4
235.06088	2.0
355.10333	1.2
428.22003	0.8
487.14575	100.0
488.14877	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	487.167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65004	4.2
59.01389	47.8
61.98833	7.5
69.03463	7.4
70.78893	8.6
71.01388	59.9
71.80800	4.1
72.99364	4.6
84.41974	3.7
85.02968	11.1
87.00948	3.6
89.02457	44.7
95.76881	3.3
96.96021	18.4
101.02460	20.3
108.02190	21.2
113.02465	92.1
114.84396	3.9
119.03557	24.1
119.05038	38.7
123.04527	5.5
131.32100	4.0
141.94180	3.3
143.03575	5.9
144.82053	3.7
152.01180	21.8
161.04503	5.3
161.05980	4.0
163.04033	30.5
167.03539	28.9
178.02806	4.6
179.05621	36.6
193.05090	4.7
325.02277	21.6
341.10901	100.0
367.03729	7.9
427.07422	22.9
427.18088	8.1
487.14633	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	487.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02968	0.9
59.01381	2.7
71.01388	2.9
71.27328	0.7
72.00886	0.9
72.99322	0.7
74.02468	1.4
77.70292	0.7
82.02995	1.2
84.04539	3.5
85.02960	1.2
87.00896	0.7
89.02442	1.7
89.53035	0.5
92.39825	0.6
97.04073	1.3
98.02462	0.8
99.04459	0.5
101.02452	1.1
101.07248	1.4
102.05611	4.0
107.02476	0.7
109.04048	3.3
113.02421	0.6
119.03516	1.2
119.05029	1.3
120.95355	0.6
125.03522	3.4
126.02025	1.2
127.04242	1.1
127.05151	15.9
128.03554	8.9
133.44144	0.6
144.03114	0.9
145.01483	2.1
145.06203	100.0
146.04616	9.0
146.06538	2.1
163.04027	1.1
179.05635	0.9
191.05745	0.7
341.10907	4.6
364.87042	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	0.8
59.01386	100.0
69.21815	4.7
69.22223	1.0
71.01384	7.8
71.01678	0.6
73.02953	3.8
83.01405	1.1
85.02987	2.8
89.02480	1.7
95.01397	0.8
97.03000	0.8
98.21845	0.9
101.02463	3.2
103.34887	0.6
109.06596	0.8
113.02453	5.0
123.08237	1.1
136.05328	0.8
138.06883	3.0
139.07678	1.2
151.07732	2.9
152.08430	8.0
152.09503	0.7
153.09235	18.8
154.09660	0.7
161.04655	1.7
165.09233	1.1
167.07245	0.7
167.38779	0.6
169.01433	0.7
179.10905	0.9
187.11494	0.7
205.12360	9.2
208.20660	0.7
223.13425	6.2
260.63434	0.8
367.17633	19.6
368.18182	1.3
385.18661	4.4
427.19797	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	487.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.0
57.74352	0.9
59.01382	100.0
60.01736	0.7
61.98820	0.9
66.38350	0.7
69.03120	6.9
69.03526	2.9
70.57475	0.7
71.01386	13.3
73.02571	1.5
73.02955	20.8
77.05940	0.9
81.37898	0.7
81.93822	0.9
83.01398	4.8
85.02959	1.7
89.02431	4.8
95.01411	1.1
101.02446	24.6
113.02454	8.3
119.03519	2.1
131.03523	1.9
143.03477	3.2
145.02992	0.9
149.04570	2.1
155.03558	1.0
161.04576	7.4
178.42633	0.7
179.05656	0.8
179.07112	1.2
221.06779	1.2
221.15671	0.7
225.15495	0.7
265.14432	1.2
270.33264	1.0
499.59955	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2557
Annotation	MR 387B
Peak:m/z	Relative Intensity
50.05533	0.8
55.01872	0.8
57.02282	0.7
57.03434	1.7
58.00581	0.8
59.01385	100.0
61.98824	2.8
62.37986	0.7
71.01392	23.9
71.28912	1.0
72.99342	1.5
73.02925	2.3
77.59385	0.8
80.91689	1.1
83.01395	1.9
85.02959	6.8
87.00884	1.0
89.02454	19.5
93.03436	1.0
93.20055	0.9
95.01381	1.2
96.96023	1.0
97.06587	1.5
101.02456	14.2
102.98555	0.9
107.98175	0.8
109.06621	1.0
113.02465	9.2
115.04111	0.7
119.03510	8.4
119.04974	1.0
135.04578	1.1
143.03442	1.5
145.03012	2.6
161.04630	2.1
175.03998	1.7
179.05621	1.9
191.05623	1.5
196.17836	0.8
203.14447	1.2
207.10254	2.0
221.11763	1.2
221.15530	1.2
225.11325	1.4
253.08621	1.0
254.13113	0.8
265.14496	5.4
267.56754	0.8
280.27853	0.8
282.41217	1.0
289.14719	1.3
289.18039	1.0
307.19183	7.1
308.19354	0.9
320.64563	0.8
325.07233	1.6
325.20175	0.9
405.21259	2.2
427.18634	1.4
469.24506	5.6
487.25555	93.1
488.25897	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	489.1043
Annotation	Kaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
57.03460	0.2
59.01390	1.1
61.98816	0.3
63.02390	0.3
65.00315	0.6
67.35481	0.2
71.13563	0.2
82.35333	0.2
83.01404	0.7
85.19633	0.2
88.89454	0.2
88.92793	0.2
89.02472	0.3
93.03473	2.1
107.01410	2.6
109.02946	0.6
117.03439	0.5
119.05052	0.9
121.02943	0.3
132.02171	1.5
135.00911	2.3
137.02467	0.4
141.07018	0.2
143.05086	1.0
145.02930	1.0
147.04485	0.3
151.00406	2.3
153.01959	0.4
154.04256	0.2
156.05745	0.3
157.06558	0.5
158.03746	0.3
159.04544	1.1
161.06035	0.2
163.00403	2.3
163.04005	0.4
164.01172	0.6
165.02055	0.4
167.05035	0.7
169.06586	0.8
171.04532	0.6
173.02319	0.3
174.03362	0.3
176.25612	0.2
182.03667	0.3
183.04514	1.0
185.02486	0.7
185.06113	2.1
187.04005	3.3
188.04298	0.3
189.05556	0.6
190.99785	0.3
195.04520	0.9
196.05243	0.3
197.06044	0.8
199.04033	1.5
200.04759	0.6
201.05655	0.4
209.00793	0.3
211.04001	3.4
211.07559	0.8
212.04630	0.3
213.01996	0.3
213.05569	1.7
214.02559	0.3
215.03375	0.2
225.05545	0.3
227.03514	33.6
228.03879	2.1
229.05063	9.5
230.05328	0.3
239.03456	2.3
240.04269	0.5
241.05013	1.7
243.02942	0.3
255.02998	67.6
256.03506	6.6
257.04553	6.1
258.04919	0.5
265.08621	0.3
267.03076	0.9
277.85687	0.2
283.02499	0.9
284.03281	85.3
285.04037	100.0
286.04398	7.1
309.07782	0.2
327.05103	0.6
327.08777	2.2
369.09631	0.3
489.10431	30.9
490.10736	2.9
495.01349	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1405
Annotation	Spiraformin D
Peak:m/z	Relative Intensity
55.91584	0.7
59.01386	17.3
61.98835	3.6
66.62811	0.6
67.98811	0.6
69.09986	6.4
71.01390	11.3
73.02940	1.4
83.01382	1.1
85.02953	2.0
87.00850	1.0
88.15493	0.6
89.02457	10.3
93.02870	1.4
93.03465	21.1
96.99315	2.6
101.02458	5.5
113.02448	5.9
117.03420	3.0
119.03548	1.7
119.05040	32.1
121.02935	1.1
123.04539	1.7
130.04265	1.5
131.05043	4.1
132.05812	1.4
133.03000	3.1
133.06601	1.8
135.04559	1.0
143.05038	17.6
145.02968	8.7
145.06604	1.9
147.04541	0.9
159.04510	1.8
161.04678	1.4
161.06081	3.8
163.04015	16.9
164.04337	1.4
171.04539	1.8
171.81099	0.6
177.05635	1.6
179.05617	1.1
187.04057	2.0
205.05009	2.0
209.06035	0.8
210.06865	4.2
211.07660	42.9
212.07973	2.8
219.08124	0.8
221.09850	0.9
221.56244	0.6
222.06856	1.5
223.07661	18.9
224.08113	1.3
225.09305	0.8
231.06653	0.8
235.07916	3.8
237.09253	11.8
238.09534	0.9
239.10756	3.0
253.08655	1.4
265.08820	20.4
266.09128	1.3
281.08698	0.8
283.09802	5.0
287.98285	0.8
295.09595	0.9
305.34982	0.7
307.09747	0.9
309.07758	7.7
325.10931	3.9
327.08752	100.0
328.09088	6.2
335.57513	0.6
341.10614	0.7
369.09808	10.1
370.09879	1.2
399.10950	2.7
421.11136	0.9
423.42142	0.7
429.11969	2.0
469.30762	0.8
489.14197	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.161
Annotation	6'-O-beta-Apiofuranosylsweroside
Peak:m/z	Relative Intensity
59.01386	7.0
60.99877	1.0
62.76808	1.1
69.41206	6.4
71.01406	6.4
72.99335	1.7
76.67137	1.0
78.95901	2.2
83.05000	1.1
87.00895	2.4
89.02454	3.9
93.03449	2.6
96.96962	2.1
99.00884	4.6
101.02444	4.2
111.04585	1.2
113.02451	2.3
119.05036	7.3
120.05400	1.5
121.02971	1.9
122.03748	2.6
123.04527	1.7
129.05582	1.6
143.05061	2.1
146.66528	0.9
150.03241	89.8
151.03810	2.4
162.03224	3.4
163.04051	6.0
165.05588	100.0
166.05893	3.3
177.01996	1.0
177.05554	10.9
180.04340	12.3
195.06639	68.3
196.07016	1.6
208.07419	3.1
211.07603	4.9
223.07634	5.5
223.09782	7.7
237.09245	3.2
239.10736	1.4
257.98004	1.5
265.08725	2.2
269.59232	1.1
270.47488	1.3
293.08832	1.5
327.08774	7.6
367.51343	1.0
369.10321	1.3
429.10388	1.4
459.15137	16.0
471.15207	2.6
489.15930	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	489.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.6
57.03449	1.0
58.00611	0.6
59.01382	100.0
60.01720	0.9
62.32984	0.3
69.03465	1.0
69.08305	2.2
69.08722	1.0
71.01387	18.3
72.99305	0.6
73.02945	4.0
81.03465	0.8
82.35760	0.4
83.01385	2.5
85.02957	8.9
87.00878	1.9
89.02446	6.8
89.02959	0.5
93.03472	0.6
95.01424	1.0
97.02961	2.5
99.00874	4.2
101.02447	7.0
111.00890	0.5
111.04500	0.4
111.53049	0.3
113.02454	7.9
118.88482	0.3
119.03507	0.3
125.02448	6.0
126.02913	0.4
130.53175	0.3
131.03508	4.3
137.02490	0.3
139.04034	1.2
143.03557	0.4
149.04601	1.3
159.03090	0.5
161.04567	2.7
163.04074	0.3
167.02130	0.3
167.03564	1.1
173.04514	0.5
186.69905	0.3
191.05656	2.2
215.05627	9.1
233.06689	7.2
233.08916	0.5
235.13574	0.4
237.14890	0.4
240.04747	0.4
244.72437	0.3
274.07245	0.5
275.07806	1.2
315.18179	4.0
327.08850	0.8
429.21335	7.1
430.21661	0.6
447.22296	2.6
489.19275	0.3
489.26962	0.6
494.07407	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.9
57.03452	1.1
58.00594	0.3
59.01386	100.0
60.01724	0.8
65.07966	0.2
68.99806	0.2
69.03465	1.3
71.01388	17.5
72.99310	0.5
73.02956	4.3
74.45487	0.2
75.00892	0.4
78.01743	0.2
81.03469	0.5
83.01398	2.2
85.02959	7.8
86.00097	0.3
87.00893	1.7
88.14114	0.2
89.02452	6.6
93.03502	0.3
95.01390	1.2
97.02962	2.1
99.00889	4.5
99.04510	0.2
101.02457	6.3
109.02985	0.3
111.00903	0.5
111.04543	0.2
113.02465	6.9
119.03541	0.5
119.05063	0.2
119.27954	0.2
121.02987	0.2
123.04533	0.3
125.02463	5.9
127.04063	0.3
131.03526	4.9
131.04474	0.3
133.02876	0.2
137.02512	0.3
138.54581	0.2
139.04042	1.3
143.03548	0.6
149.04579	2.2
159.03062	0.4
161.04579	2.9
161.05856	0.2
161.75903	0.2
167.03494	1.1
173.04662	0.3
191.05621	1.9
202.82558	0.2
215.05627	8.2
216.05989	0.3
229.23468	0.2
233.06700	5.7
235.13463	0.5
237.15042	0.4
243.62137	0.2
249.33916	0.2
274.07037	0.5
275.07828	0.5
292.08270	0.2
315.18192	3.3
316.18762	0.2
327.08765	0.3
336.04962	0.2
357.19666	0.2
429.21280	6.1
429.26791	0.3
430.21606	0.3
447.22406	2.4
489.27136	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69164	0.2
59.01385	6.1
60.10398	0.3
61.98840	1.8
66.62978	0.3
69.31617	1.8
71.01388	4.8
72.99294	0.4
73.02943	0.5
80.05072	0.3
83.01376	0.5
85.02953	2.3
87.00901	0.3
89.02452	3.7
95.01386	0.4
96.04577	1.8
101.02457	3.0
112.95953	0.3
113.02463	2.6
117.03480	24.0
118.03804	0.4
119.03601	2.0
119.05035	13.8
120.05426	0.3
121.02962	0.4
131.03531	0.3
135.04562	0.7
136.01741	0.3
143.03563	0.3
145.02966	100.0
146.03290	3.1
151.00360	1.0
157.38254	0.3
161.04573	0.6
161.06017	0.3
163.04019	9.4
164.04402	0.3
179.05704	0.4
182.08253	0.8
227.03529	3.5
228.03853	3.3
233.27209	0.3
243.82750	0.2
244.71402	0.3
255.02985	3.8
256.03345	5.3
257.03848	0.6
284.03314	2.0
285.03696	3.8
286.04376	1.7
287.05563	0.8
326.12497	3.2
328.09207	0.4
343.44839	0.2
344.13528	32.0
345.13849	2.2
353.06503	0.3
490.10712	7.3
490.17346	10.5
490.27209	0.5
491.10995	0.8
491.17627	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	490.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00577	0.3
59.01384	6.3
61.98832	1.7
69.45093	2.2
71.01385	5.1
73.02933	0.9
83.01402	0.3
85.02956	1.8
87.00877	0.4
89.02458	4.0
95.01423	0.6
96.04581	1.5
101.02447	2.6
103.19946	0.3
113.02465	2.6
117.03471	23.0
118.03844	0.4
119.03654	1.7
119.05031	13.3
120.05444	0.3
123.03598	0.3
126.75478	0.3
143.03552	0.5
145.02963	100.0
146.03299	3.7
161.04517	0.4
163.04022	9.0
164.04369	0.5
179.05533	0.5
182.08153	0.4
205.05225	0.4
213.05920	0.3
215.24287	0.3
256.03500	0.4
285.03839	0.9
286.04465	0.6
305.72675	0.3
307.53101	0.3
326.12476	3.3
344.13513	31.9
345.13754	2.1
490.10651	0.6
490.17139	9.1
491.17639	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	490.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.9
59.01389	30.6
63.02161	2.6
69.16930	24.2
71.01384	66.1
73.02943	16.1
76.45720	2.4
82.59276	2.4
83.01393	6.2
85.02961	20.8
89.02451	19.5
92.07291	2.3
95.01393	3.5
99.00887	8.6
101.02445	34.4
113.02448	26.7
119.03498	6.9
125.02452	2.6
131.03534	2.8
149.04529	3.5
159.02943	5.2
161.04565	55.9
221.11345	2.7
225.54031	2.4
315.18100	100.0
316.18533	7.5
346.80701	2.9
348.64093	2.9
447.22403	69.7
448.22556	5.6
491.28452	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	490.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20544	2.6
57.66844	2.9
59.01385	43.6
63.11893	3.3
66.72175	2.6
69.57940	17.5
71.01389	48.6
72.99314	4.1
73.02946	10.4
83.01417	6.7
85.02967	17.3
87.00903	3.1
88.81062	3.3
89.02458	31.8
93.03504	3.5
93.09285	3.3
95.01391	3.8
98.22525	3.9
99.00895	6.1
101.02457	34.2
113.02453	18.9
131.03531	20.7
145.03015	3.6
149.04562	10.0
161.04611	16.3
191.05588	3.5
194.33818	3.0
245.87325	3.0
254.09584	3.3
265.25818	3.0
289.04117	3.0
315.18323	18.0
447.22427	100.0
448.22745	9.2
490.27914	6.1
491.28647	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	491.133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51031	1.2
59.01381	7.0
69.08520	9.4
69.08926	2.3
71.01375	4.7
89.02458	3.2
113.02460	4.6
117.03477	22.2
119.05035	20.2
133.06577	2.9
145.02965	100.0
146.03288	3.7
159.04482	3.5
161.06073	4.2
163.04024	26.1
177.05630	3.0
187.04016	33.2
188.04326	1.4
205.05096	6.7
217.05074	3.2
235.06064	2.7
253.07480	1.5
265.07245	4.5
307.08243	5.3
325.09296	48.0
326.09573	3.3
346.00378	1.3
423.12866	14.8
424.13336	1.5
430.10358	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	491.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83064	0.9
59.01395	7.8
65.44568	1.0
68.63206	1.0
69.08617	10.2
71.01383	4.3
89.02451	3.3
91.64704	0.9
97.03004	1.4
101.02422	2.3
113.02441	5.5
113.94458	1.0
115.98878	1.2
117.03481	22.0
119.05032	17.7
133.06612	2.3
145.02966	100.0
146.03319	3.6
159.04486	3.0
161.06110	5.4
163.04018	22.1
177.05606	1.5
187.04030	34.3
188.04347	2.6
205.05113	6.6
217.05035	3.1
229.05013	1.2
235.06110	4.1
262.97809	1.1
264.04788	1.2
265.07117	5.2
307.08310	4.8
325.09311	46.0
326.09720	3.6
423.13031	15.6
424.13599	1.8
455.15787	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.7
71.01382	8.8
71.29489	1.2
71.41586	0.9
73.02941	5.1
75.00873	1.3
85.02966	1.7
87.00890	1.8
89.02454	29.7
95.16501	1.0
101.02475	1.9
103.04018	2.2
105.26342	0.9
106.35431	1.0
107.60857	1.1
113.02462	2.4
117.48911	1.2
121.02916	1.1
131.03508	6.7
134.66312	1.0
149.04568	100.0
150.04910	2.9
190.46150	1.1
289.10480	3.7
341.10660	1.3
371.09970	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70742	2.4
51.88800	3.0
52.42641	2.5
57.03442	6.1
59.01086	5.0
59.01384	100.0
60.01702	4.5
60.16256	2.7
61.98836	16.9
66.18558	2.6
71.01381	27.1
71.31206	5.6
73.02947	10.9
76.66063	3.0
83.01431	4.0
85.02958	4.4
87.00892	3.4
89.02465	14.9
93.03461	7.1
94.03801	3.6
101.02444	20.7
105.01976	2.9
111.00857	4.2
113.02491	14.4
119.03507	7.1
119.05091	6.9
133.49615	2.8
135.04544	4.9
143.03535	3.1
145.02953	5.3
149.09731	7.3
153.09230	3.6
161.02414	3.7
161.04628	5.6
167.10794	8.8
179.05534	4.4
193.12347	8.2
195.53891	2.8
211.07632	5.9
212.08040	6.4
213.08257	3.6
223.07759	4.9
251.16510	5.6
283.15646	8.1
327.08752	4.9
328.09158	9.1
329.09357	10.4
382.25302	2.8
405.80060	3.0
431.22809	9.5
491.23740	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	491.2667
Annotation	Mucronine B
Peak:m/z	Relative Intensity
52.34502	1.2
66.03447	1.3
68.25639	1.1
69.37543	7.6
71.02513	2.7
78.95937	1.6
98.22488	2.7
106.83752	1.2
113.04599	1.4
115.08780	11.1
116.05128	1.5
118.06664	5.4
125.07238	3.5
135.76253	1.2
136.06439	1.5
141.06694	2.0
146.06104	7.8
152.08249	1.3
152.99611	1.8
163.08847	1.5
170.09366	3.1
174.05574	1.3
179.11894	3.2
196.14648	1.5
214.15602	4.3
227.12057	2.1
228.10252	2.9
235.22372	1.2
245.12961	2.5
262.15515	2.2
269.16302	1.4
326.18698	6.4
344.20007	1.9
382.19586	1.3
391.75241	1.2
491.26682	100.0
492.26974	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	491.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69947	0.5
50.71114	0.5
51.40376	0.6
55.01867	1.9
57.03439	2.1
58.00583	0.8
59.01385	29.3
63.21408	0.6
68.99821	0.8
69.03450	1.3
71.01028	0.9
71.01389	14.2
72.25923	0.8
72.99294	1.5
73.02948	4.4
73.94387	0.6
81.03468	0.9
83.01391	2.4
85.02946	6.2
85.06591	1.0
85.64291	0.7
85.87704	0.6
87.00879	4.9
89.02454	2.4
93.03454	1.4
95.01382	1.1
98.21814	1.8
99.00861	1.3
101.02449	6.9
109.02940	0.9
113.02435	3.7
124.01681	0.9
125.02443	1.2
130.62782	0.6
133.02957	2.6
134.03719	1.0
135.04547	1.4
137.02434	1.2
143.03517	0.7
146.03703	0.7
147.04565	0.8
160.01584	0.6
161.02406	1.8
173.04488	1.4
174.03224	1.0
175.03966	0.7
175.07610	1.4
177.01996	1.5
177.09219	0.7
178.02620	1.0
186.06938	1.1
187.07643	1.6
189.05571	1.1
191.05682	1.5
203.07188	2.2
206.10785	0.6
229.08806	0.7
230.09465	1.1
232.07368	1.7
233.08263	3.5
247.09834	3.0
248.10533	1.1
269.21246	6.7
280.05960	1.1
287.22293	36.7
288.22586	2.6
299.22345	1.3
311.22171	0.7
329.23328	1.3
334.10718	3.5
431.26541	20.3
432.26804	1.4
449.27588	32.8
450.21933	0.7
450.27563	3.5
484.58936	0.7
491.28650	100.0
492.29034	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	491.2865
Annotation	Bu 2867TF
Peak:m/z	Relative Intensity
51.09237	0.5
55.01862	0.7
57.03431	1.0
59.01385	12.8
61.98822	1.4
71.01385	7.7
72.99300	1.1
73.02936	2.4
83.01384	2.1
85.02959	3.2
87.00880	1.5
89.02442	3.2
93.03497	1.1
95.01388	0.7
96.43525	0.5
97.00082	0.4
97.06628	0.8
99.00879	0.6
101.02448	5.3
101.34917	0.5
112.82819	0.5
113.02489	2.6
119.03519	0.9
125.09773	1.1
133.02972	0.7
155.10825	0.7
161.02467	0.5
161.04567	0.7
171.10283	5.2
177.01955	0.5
179.03677	0.6
203.07106	0.9
211.07658	0.5
218.86533	0.6
230.09731	0.6
232.07422	0.8
233.08157	0.8
247.09785	0.6
275.09134	1.0
311.22366	2.9
329.23343	10.5
330.23587	1.1
334.07004	0.8
334.10318	1.2
473.27594	1.5
491.28659	100.0
492.29074	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	491.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01155	0.2
59.01388	1.5
70.33066	0.6
71.01380	0.6
89.02458	0.8
91.04022	1.3
93.03465	0.3
113.70493	0.2
117.03481	20.5
118.03809	0.5
119.05040	9.8
120.05388	0.2
121.02969	2.7
123.04536	0.9
124.19080	0.2
132.05788	0.2
133.02950	0.6
145.02971	100.0
146.03308	4.0
146.04501	0.2
162.03273	0.5
163.04033	6.0
164.04369	0.2
225.22331	0.5
237.07712	0.3
271.22803	8.6
272.23199	0.7
331.26450	6.6
332.26813	0.8
355.26477	1.3
399.25427	27.7
400.25815	2.7
417.26514	20.3
418.26956	1.8
491.30200	33.8
492.30518	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	491.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47442	0.5
56.00267	0.4
59.01378	1.8
69.03607	3.9
71.01376	0.5
89.02448	0.6
91.04018	1.4
117.03475	22.2
118.04273	0.6
119.04263	0.9
119.05039	9.5
121.02966	1.9
123.04542	0.7
145.02965	100.0
146.03293	3.5
163.04021	5.6
173.74527	0.4
210.94798	0.5
225.22215	0.4
264.16995	0.5
271.22800	7.2
274.58807	0.4
282.68436	0.4
331.26447	6.6
355.26346	1.6
399.25424	32.1
400.25681	3.5
417.26480	26.0
418.26904	2.8
491.30154	41.1
492.30484	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	491.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.5
61.54993	0.3
65.04042	0.3
69.02743	3.8
79.63606	0.4
91.04048	0.5
103.83482	0.4
117.03479	29.9
118.03761	0.7
119.05043	12.9
121.02976	2.9
123.04540	0.9
126.84837	0.3
128.19783	0.4
132.05817	0.6
133.02968	1.0
145.02969	100.0
146.03307	3.3
162.03094	0.5
163.04051	4.8
218.33640	0.4
225.22348	0.6
246.93704	0.3
271.22781	6.6
271.25632	0.5
331.26468	5.3
332.26776	0.5
355.26477	1.3
399.25446	24.2
400.25821	2.2
417.21954	0.3
417.26483	20.7
418.26770	2.4
491.30185	31.8
492.30539	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	492.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
57.03469	1.1
59.01386	25.0
59.28127	0.7
60.01701	1.1
60.99298	2.5
61.98834	3.8
64.34969	0.7
70.53828	1.7
71.01378	11.6
72.97495	0.9
72.99316	0.8
73.02952	2.8
83.01359	0.7
85.02957	4.4
89.02457	9.8
89.89236	0.8
91.42291	0.8
93.03473	1.8
97.03001	0.8
101.02444	6.5
102.98638	0.9
113.02467	6.2
117.03481	18.4
119.03527	3.9
119.05042	72.9
120.05376	2.7
121.02962	1.1
133.06583	1.9
143.03467	1.7
145.02971	69.4
146.03307	3.2
152.03595	1.5
161.04626	3.9
161.06061	2.8
163.04024	100.0
164.04362	4.4
174.05623	2.6
176.05919	1.7
177.05376	1.6
177.06879	4.2
179.05647	3.9
184.02562	1.0
187.04021	3.2
189.06676	3.2
205.05049	3.4
235.06102	1.0
283.29990	0.9
291.22049	0.7
316.10327	9.1
325.09274	1.0
328.09558	1.1
330.14096	0.9
346.11493	9.0
356.12625	1.6
408.58426	0.9
430.15106	23.4
431.15329	3.1
433.24426	3.4
448.15945	1.0
449.24026	0.8
462.13968	11.0
463.14401	0.9
471.09805	0.8
474.13928	5.9
475.14279	0.9
492.15057	30.5
493.15424	3.5
493.22015	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.175
Annotation	WZ4002
Peak:m/z	Relative Intensity
50.64174	0.4
54.82227	0.3
59.01378	2.0
61.31571	0.4
61.98843	1.8
61.99108	0.3
63.50681	0.3
69.43083	2.2
71.01362	1.3
79.95750	2.8
85.02961	0.6
87.00872	0.5
89.02459	0.7
93.03471	1.1
93.04047	0.4
96.96020	100.0
101.02437	0.8
113.02468	0.6
119.03536	0.4
119.05040	0.7
120.99668	0.8
121.02942	0.5
123.07340	0.4
136.07741	0.4
137.02333	0.6
145.02969	0.6
148.04037	0.7
150.05569	0.5
166.05125	1.4
180.06723	0.5
191.05638	2.8
194.04622	0.8
239.11862	0.5
257.03629	0.4
286.04166	0.8
287.04492	0.6
288.04764	0.6
312.97656	0.6
331.12228	13.7
332.12622	0.7
362.18784	1.0
371.63480	1.2
386.63992	1.2
433.24329	0.4
493.17514	41.0
494.17831	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	493.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56004	4.0
59.01384	100.0
61.98835	23.9
71.01394	31.6
71.31400	5.5
71.57304	3.8
72.99303	4.8
73.02924	7.5
78.79333	3.9
85.02962	11.0
85.40526	4.3
85.45438	4.3
89.02441	22.1
93.03471	6.8
95.01372	4.3
96.96025	69.6
101.02445	21.2
113.02453	14.3
116.92874	5.1
119.03469	6.9
120.04617	4.7
133.52907	5.0
134.03777	4.9
137.02502	4.6
148.04010	13.6
159.04591	5.0
161.04591	11.7
162.80829	5.1
166.05093	33.7
189.05560	5.3
191.05597	6.1
255.07986	8.1
255.11142	3.9
269.09396	5.9
280.20398	3.9
283.10696	9.2
327.09918	8.8
331.12808	19.5
433.24432	15.7
493.17651	43.5
493.24448	7.5
494.19080	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00552	4.9
59.01382	100.0
61.98844	13.4
66.39387	4.6
71.01398	51.8
71.05064	5.7
73.02956	9.8
73.46181	4.5
74.06992	5.1
78.95880	4.6
81.03458	10.3
83.01382	10.4
85.02973	15.5
87.00876	9.7
89.02450	38.1
93.03471	5.2
98.63177	5.6
99.00901	7.1
101.02448	44.5
113.02463	35.1
117.07144	8.1
119.03509	7.0
119.05080	7.6
123.04580	7.6
133.02951	7.9
133.06592	14.6
134.49124	5.0
135.04543	7.9
135.08179	50.9
145.02948	13.1
147.04544	4.7
153.09225	12.0
161.04579	13.4
163.03941	6.5
171.10268	9.6
179.05621	5.7
179.07112	71.6
197.08186	50.2
205.05022	6.3
211.07721	7.3
253.09363	32.2
289.20114	6.0
295.11929	22.0
433.17221	14.4
433.24612	12.0
493.17789	9.0
493.24036	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	493.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96742	1.4
55.01870	1.7
57.03440	2.2
58.00588	1.7
59.01386	100.0
61.98824	3.3
69.73009	1.2
71.01389	48.6
71.04990	1.6
71.28796	1.9
72.97540	2.1
72.99319	3.2
73.02955	6.5
83.01396	2.2
84.98087	1.6
85.02963	12.9
87.00895	4.7
87.04521	3.3
88.70399	1.3
89.02455	50.8
93.03484	1.6
95.01400	2.3
99.00900	2.7
101.02454	34.0
102.98624	2.3
113.02475	23.2
117.03477	8.3
118.03812	2.6
119.03538	25.0
119.05032	24.3
120.05416	11.5
125.02473	1.7
131.03568	4.3
133.06604	2.8
143.03514	5.1
145.02963	24.9
146.02223	2.4
146.03299	14.6
149.04591	3.7
151.66798	1.5
161.04558	16.5
163.04018	32.5
164.04343	18.8
170.33475	1.4
177.06783	1.8
179.05653	20.5
183.13934	3.4
187.04079	1.7
189.06647	2.5
205.05061	1.9
271.19177	3.9
317.10858	1.7
331.17670	2.8
345.56485	1.7
347.11890	4.2
415.28745	1.7
431.15518	9.7
433.24579	15.0
463.14569	6.5
475.14133	1.8
493.15399	18.6
493.21790	2.3
494.15729	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	493.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78860	1.0
58.00603	1.3
59.01385	48.5
61.66699	1.0
61.98843	7.2
63.37363	1.0
71.01389	27.2
72.99310	1.8
73.02948	1.6
78.95914	25.5
83.01415	2.7
85.02967	8.4
87.00887	3.7
89.01894	1.4
89.02455	28.5
93.03475	1.9
95.01408	2.5
96.96975	5.9
97.02964	2.3
98.21793	1.7
101.02451	14.9
101.07389	1.0
113.02459	14.0
117.03476	18.9
118.03788	1.2
119.03530	10.4
119.05033	16.5
120.05366	2.6
120.99674	8.8
131.03484	1.9
132.05795	1.3
133.06599	1.4
143.03572	2.7
145.02969	100.0
146.03285	8.5
147.03462	1.6
149.04556	1.4
159.04530	2.0
161.02460	4.2
161.04576	5.8
161.06097	8.5
162.02765	1.4
163.04042	26.9
164.04350	2.1
177.05527	2.9
179.05656	9.2
187.04013	32.4
188.04298	2.4
189.04547	1.4
191.05641	2.6
191.07208	1.6
205.05093	10.3
217.05121	2.3
225.09528	1.3
235.06171	4.8
265.07178	8.7
307.08319	2.7
325.09302	47.4
326.09647	6.4
327.09860	3.2
331.12405	2.5
333.26892	1.2
357.08850	9.2
405.15796	4.2
423.13010	13.2
425.13483	2.7
433.24487	4.0
493.17499	32.0
494.17477	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	494.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23817	0.3
58.63389	0.3
59.01390	0.7
69.88267	0.3
71.29455	0.8
81.03461	2.6
83.05034	7.7
101.02497	0.4
108.04561	0.5
113.02475	0.4
117.03494	0.8
119.04960	0.5
120.77823	0.3
125.07178	1.1
127.60233	0.3
143.08249	0.8
145.02977	2.7
146.03273	1.0
163.04008	0.9
187.04007	0.7
207.15009	1.1
223.06177	0.3
224.17664	1.2
225.16104	7.2
242.18692	0.7
324.26758	0.6
333.23160	2.2
351.23959	0.5
367.27200	0.9
373.24515	0.4
433.31793	3.8
444.52856	0.4
451.32935	100.0
452.33261	12.7
452.39667	0.8
494.33868	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	495.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.3
59.01384	13.6
61.98829	9.3
69.19407	10.9
71.01398	7.5
73.02908	1.3
85.02953	3.8
87.43913	1.3
89.02453	2.0
93.03460	2.0
94.81320	1.3
94.94768	1.2
96.96008	1.2
101.02476	3.1
101.06106	1.5
102.21083	1.2
116.70091	1.5
117.03484	30.1
117.47557	1.2
119.05032	16.3
141.01680	3.7
143.05031	2.1
145.02968	100.0
146.03305	4.0
161.04599	1.7
163.04015	20.9
166.05118	13.1
171.02213	5.0
173.04527	2.2
187.04073	5.2
226.70007	1.3
255.03499	1.2
259.62503	1.3
304.13263	1.3
326.31665	1.2
398.27325	1.3
451.16101	35.0
452.16452	4.8
460.14563	4.1
495.19058	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40934	2.0
52.43103	1.8
59.01386	41.3
61.98837	100.0
71.01386	38.6
71.30144	2.4
72.99305	4.3
73.02950	9.2
82.60625	2.0
85.02955	8.6
87.00890	14.5
89.02453	35.4
99.00890	4.9
100.42632	1.9
101.02433	21.0
112.05605	2.5
113.02466	9.1
119.03532	5.4
119.05016	2.6
121.02942	2.5
123.47836	1.9
131.03542	10.2
135.04504	5.0
143.03574	2.6
145.03001	3.2
149.04573	29.2
161.04605	6.1
165.15587	2.0
179.05779	2.8
180.05798	2.8
191.05629	7.4
194.76440	2.0
199.07741	5.7
303.14505	6.7
315.08954	2.4
329.16904	2.1
381.48270	2.4
435.18768	4.4
495.20584	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	495.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	6.3
59.01382	12.1
59.48051	1.8
61.98814	2.4
69.03457	12.7
70.93774	3.7
71.01376	4.7
71.05029	6.3
80.02668	2.1
81.03463	11.3
83.05023	5.3
84.02196	2.3
95.05044	12.2
96.13938	2.3
97.02946	6.0
97.06603	19.3
99.04509	3.9
107.05021	2.8
109.06593	10.9
117.07118	4.4
123.04526	8.6
123.08172	31.5
125.09741	11.9
131.05000	2.7
133.06612	21.9
135.07210	3.7
135.08180	50.2
136.08485	2.4
140.71320	1.7
142.02693	2.5
147.08131	2.9
149.06117	3.2
149.09677	2.1
151.07658	19.2
151.11298	5.9
153.05576	1.9
153.09225	10.3
157.08693	2.9
161.06119	4.3
161.09718	13.8
163.11296	6.4
169.08727	25.3
179.07129	23.6
179.10782	37.1
185.11880	3.8
195.06606	5.6
197.08176	21.1
197.11847	100.0
198.12137	4.2
207.10316	17.9
209.11832	3.0
213.07719	4.5
223.09753	5.8
225.11331	8.2
241.10777	21.9
253.10707	2.2
269.10095	2.1
271.11990	4.3
287.11441	8.5
297.13379	12.4
315.14462	41.6
316.14853	2.2
359.18774	3.0
359.63763	1.9
399.20255	1.8
407.20782	3.4
433.22244	6.7
451.23376	7.6
477.21277	6.1
495.22363	100.0
496.21591	8.5
496.28421	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2604
Annotation	Melissoidesin D
Peak:m/z	Relative Intensity
50.11318	2.1
59.01383	100.0
61.98850	10.5
68.99823	2.6
71.01386	26.5
71.32545	3.6
73.02937	12.1
78.95904	3.6
83.01377	4.9
83.34608	2.2
85.02941	9.3
87.00890	2.2
89.02439	10.0
95.01411	2.2
96.93211	2.0
101.02445	13.8
105.91467	2.1
113.02459	14.4
119.03498	5.0
133.02959	3.8
135.04504	2.0
151.07671	6.5
152.08435	14.5
152.99585	10.1
161.04539	3.3
180.84651	2.2
203.10751	4.7
217.12328	3.1
217.18719	1.9
273.03918	3.4
273.18665	2.5
291.19507	3.7
302.99463	2.3
435.23965	39.4
436.24252	3.3
453.24997	15.9
495.25906	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	496.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77832	0.2
53.57176	0.2
59.01380	1.4
59.16714	0.2
61.98836	100.0
71.01395	0.8
71.30154	0.2
71.30508	0.2
73.02961	0.4
78.95915	0.2
79.95763	0.3
80.91691	0.3
85.02952	0.4
93.03491	0.4
95.71106	0.2
96.96015	0.5
101.02467	0.6
117.03512	0.2
119.05016	0.3
145.02951	0.5
147.04680	0.2
166.05099	1.7
184.98003	0.2
191.03537	0.3
207.57819	0.2
248.66847	0.2
296.17130	0.2
334.14319	0.7
373.60211	0.3
456.40134	0.2
497.18112	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48819	1.5
57.03454	1.4
59.01393	8.8
59.85353	1.4
61.98843	1.5
69.44653	5.7
69.45061	2.6
71.01384	9.7
73.02944	2.2
75.00889	1.7
75.41546	1.2
75.41977	1.2
85.01041	11.7
85.02962	5.8
87.00889	21.8
89.02451	6.9
93.03475	2.0
96.96033	3.7
97.78758	1.5
99.00912	4.4
99.08131	1.6
101.02451	6.1
105.01948	33.6
113.02502	8.3
117.01989	1.7
119.03505	2.0
119.05033	2.2
121.02950	6.2
123.04545	5.6
125.02415	1.9
133.65509	1.4
135.04546	4.7
143.05237	3.8
145.03090	3.9
147.03020	4.5
150.03168	1.4
151.04048	16.8
154.91902	2.1
161.02478	2.3
165.04057	67.8
166.04434	2.9
167.03479	1.6
179.03465	2.2
181.05060	8.0
187.07854	1.9
191.05621	1.5
261.04337	1.6
335.07974	2.9
335.11655	2.6
349.13162	8.5
497.16946	100.0
498.17429	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	497.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86936	3.7
51.72183	3.8
51.78916	4.1
53.47046	3.5
57.03441	8.7
59.01382	45.0
61.98837	18.9
68.22331	4.5
69.03445	11.0
71.01384	26.2
71.05045	8.0
71.31577	5.4
73.02950	8.6
83.01397	4.6
83.05031	23.5
84.02161	4.2
85.02954	11.2
89.02472	6.6
93.03473	6.2
95.05037	17.6
97.06587	23.3
99.00929	4.6
101.02450	21.2
105.03539	4.5
109.06606	7.6
113.02470	10.8
123.08184	49.4
125.09750	9.9
130.40895	4.3
133.06628	6.8
135.04495	7.9
135.08110	6.8
136.05203	4.0
151.07668	33.2
151.11336	5.6
161.09747	10.6
163.11263	7.2
169.08705	78.2
171.10269	4.3
173.04536	4.4
179.10777	19.3
181.08734	40.7
185.11789	5.3
191.05656	13.9
195.06604	10.9
197.11829	59.4
199.09895	5.9
207.10332	9.8
209.11835	68.1
210.12048	4.5
210.39661	3.9
213.07727	9.3
220.24585	3.9
225.11279	6.7
227.12936	10.2
241.10825	9.8
243.67943	4.2
267.12448	7.0
269.10544	4.9
287.11414	18.8
297.13351	6.4
305.19687	27.3
315.14526	12.6
336.96829	4.2
437.23975	9.6
497.23547	100.0
498.24783	12.6
502.52438	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3126
Annotation	Hemiasterlin B
Peak:m/z	Relative Intensity
57.03451	1.7
59.01374	6.4
59.10272	0.7
61.98827	2.6
71.01388	3.8
71.05029	1.1
85.02962	1.8
86.53659	0.7
89.02461	2.0
93.03439	0.8
95.01423	1.0
96.96069	0.8
97.06596	2.7
99.00872	1.1
101.02422	1.2
111.04512	0.8
111.08115	0.9
113.02456	2.8
120.05817	4.7
123.04519	2.3
123.08179	3.2
125.09701	1.2
133.02969	2.7
135.04501	1.1
135.08192	23.2
135.09219	1.1
137.02515	0.9
137.06094	2.8
137.09753	2.3
138.06871	0.8
139.03998	0.9
143.18625	0.7
151.07678	1.1
153.09222	5.3
156.15445	0.8
173.04654	0.9
177.01979	1.4
191.05627	2.6
207.26904	0.8
220.03798	2.1
225.11467	1.0
261.18567	0.9
275.09308	1.0
277.97104	0.7
291.19647	0.7
309.20758	1.4
325.14420	1.1
329.23499	1.5
343.21365	4.8
367.24860	1.1
369.13580	0.9
397.27515	2.0
415.29208	0.8
417.30243	1.2
433.29672	1.2
435.31265	4.6
451.30737	9.2
452.30823	0.8
461.29123	2.3
479.30203	15.5
480.30762	2.1
497.31268	100.0
498.31830	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	498.2901
Annotation	Tauroursodeoxycholic acid
Peak:m/z	Relative Intensity
59.01383	0.5
61.98797	0.3
63.11292	0.3
66.03099	0.2
70.85581	0.4
70.85904	0.3
72.11406	0.2
79.95747	9.8
80.96528	3.3
89.02485	0.2
91.76386	0.2
106.98103	4.5
108.80768	0.3
114.61063	0.2
124.00754	4.5
127.03084	0.3
136.70905	0.2
137.70699	0.2
140.83199	0.2
150.00932	0.2
215.07111	0.3
253.09271	0.4
263.16501	1.9
352.19684	0.3
498.29007	100.0
499.29382	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	79.7
62.28544	3.7
69.87891	14.6
71.01385	21.7
78.95904	9.0
89.02459	29.7
96.96964	9.1
101.02449	11.4
113.02477	8.8
116.32348	4.2
118.96689	5.0
119.03532	8.4
124.71436	3.9
129.01971	5.1
142.32591	4.6
156.92519	6.0
156.99098	17.1
158.78773	4.5
179.05605	11.4
217.00301	8.6
243.03505	5.1
248.29657	4.0
259.01309	6.3
341.10904	100.0
342.11407	7.2
343.11508	4.9
346.71796	3.9
439.07690	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	499.1458
Annotation	kn-93
Peak:m/z	Relative Intensity
51.85904	0.8
57.03438	1.1
59.01384	5.9
60.99308	4.3
67.01896	11.1
69.03466	2.4
69.11074	8.7
71.01380	6.7
81.03456	2.3
83.05029	1.6
85.02962	4.7
87.00886	14.2
89.02437	2.0
93.03462	74.5
94.03797	2.2
98.21757	1.2
99.00877	1.8
99.04551	2.0
101.02431	1.8
109.02973	1.8
111.04523	11.2
113.02421	2.3
119.05034	34.8
123.04546	1.4
127.04028	1.9
129.01971	2.1
136.87598	0.9
137.02434	1.0
145.02922	1.9
146.38811	0.9
155.03468	3.7
155.49138	1.0
161.06085	0.9
163.04031	22.7
164.04379	0.9
173.04552	21.9
179.05667	1.0
191.05615	93.1
192.05965	2.9
248.25896	0.8
276.81976	0.9
277.10831	3.6
295.08292	1.3
295.11789	1.5
337.09348	13.8
379.10376	2.6
397.35574	0.9
499.14560	100.0
500.14917	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	499.1963
Annotation	Verrucarin M
Peak:m/z	Relative Intensity
59.01395	33.5
61.98825	26.9
71.01381	24.9
75.82364	12.2
84.42322	10.0
85.02983	19.8
87.00938	11.8
89.02458	23.4
93.03484	14.4
93.17614	10.9
113.02480	14.6
119.05110	10.6
145.02985	19.5
182.54033	11.9
191.05627	100.0
331.17651	12.6
369.58624	12.8
390.76907	11.8
404.51416	14.2
425.14844	13.7
451.33316	27.7
452.33154	74.3
453.33478	21.6
463.21735	18.2
499.19662	67.6
500.19379	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	499.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	34.2
66.03487	18.4
69.27289	56.3
71.01385	16.7
80.95411	10.3
81.16377	9.0
85.02944	13.3
87.00858	12.2
88.04043	18.9
93.03458	32.9
98.21842	13.2
101.02435	19.6
110.02469	10.7
113.02451	14.1
129.42201	9.8
134.03680	13.2
139.04033	15.0
139.05318	9.4
142.10086	11.5
161.02475	9.2
161.04781	19.9
173.04578	45.6
187.66937	9.5
191.05652	100.0
209.11862	98.5
213.68819	9.1
227.12897	22.8
227.16118	9.8
244.09837	11.2
253.09305	28.9
295.12930	37.9
351.12994	11.7
437.05957	8.8
499.08771	10.0
499.19131	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	499.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	33.5
61.98825	26.9
71.01381	24.9
75.82364	12.2
84.42322	10.0
85.02983	19.8
87.00938	11.8
89.02458	23.4
93.03484	14.4
93.17614	10.9
113.02480	14.6
119.05110	10.6
145.02985	19.5
182.54033	11.9
191.05627	100.0
331.17651	12.6
369.58624	12.8
390.76907	11.8
404.51416	14.2
425.14844	13.7
451.33316	27.7
452.33154	74.3
453.33478	21.6
463.21735	18.2
499.19662	67.6
500.19379	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	499.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	5.9
59.01120	1.0
59.01386	10.3
61.98835	22.0
69.03450	0.8
71.01374	2.8
71.05035	1.1
71.29962	1.1
73.02947	1.7
81.03465	1.8
83.05022	1.2
85.02953	5.0
85.52193	0.6
87.00875	1.5
89.02463	0.9
93.03486	1.0
95.05053	1.3
97.06599	2.3
99.00919	0.8
99.04518	1.7
101.02457	2.6
105.87507	0.7
107.05051	0.8
108.12877	0.7
109.06594	1.4
109.43472	0.6
111.00893	2.1
111.08200	1.2
113.02468	2.1
119.05029	0.8
120.05822	4.8
123.04528	2.5
125.06102	1.1
125.09719	2.0
129.01996	1.8
135.08179	34.3
136.08482	0.7
137.06105	2.6
139.04007	0.8
145.06233	0.9
153.09212	4.7
163.11295	1.2
166.32758	0.7
183.13814	1.0
191.05690	1.6
207.10233	1.7
209.11848	0.9
210.15106	1.1
220.03688	0.7
225.11266	1.2
227.12801	1.0
245.13844	1.0
249.11374	0.9
270.17136	1.1
276.02560	0.8
291.19550	1.0
293.13931	1.1
299.18851	0.9
307.22876	1.1
309.20700	1.9
315.21713	1.0
345.22818	4.3
345.26456	0.7
419.31845	2.0
435.31137	2.1
437.32840	6.4
438.32794	1.4
453.32288	10.4
454.32730	0.9
463.30878	2.2
481.31821	21.1
482.32135	1.7
499.32861	100.0
500.28009	4.3
500.33347	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	499.3279
Annotation	Adouetine X
Peak:m/z	Relative Intensity
57.03446	1.6
59.01382	9.1
61.98835	14.8
65.20146	0.5
67.04388	0.4
69.03463	0.5
69.10079	3.9
69.10486	0.7
71.01382	3.2
71.05019	1.1
73.02944	0.7
75.00875	0.7
76.73397	0.6
81.03457	0.6
83.05034	0.6
85.02947	1.5
85.06996	0.4
87.00854	0.7
89.02442	0.9
91.42201	0.5
93.03457	0.7
95.05061	0.9
97.06596	1.8
98.22527	0.9
101.02438	1.3
102.73833	0.5
107.05042	1.1
109.06591	1.5
111.04545	0.8
111.08183	0.8
113.02467	1.9
113.09763	0.7
119.03515	0.5
120.05823	8.5
120.37510	0.5
123.04527	2.6
123.08154	1.6
125.06090	1.4
125.09708	0.7
128.03609	0.7
133.02916	0.6
135.08173	39.5
136.08493	1.4
137.06090	1.7
137.09723	1.0
138.06949	0.6
139.04005	0.8
140.10825	1.5
143.10793	0.6
151.07680	0.7
153.09215	6.1
161.04594	0.8
171.10226	0.5
191.05582	0.9
221.06934	0.5
266.35062	0.5
345.22769	6.4
346.49905	0.5
419.31622	2.1
435.31021	2.1
437.32730	7.9
439.23395	0.6
453.32205	9.3
454.32379	0.8
457.24734	0.5
463.30533	2.7
481.31750	24.0
482.31958	2.0
499.32782	100.0
500.26834	0.8
500.33328	10.1
501.48511	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45362	0.4
58.00533	0.3
59.01383	1.4
61.98836	100.0
62.15900	0.3
69.31165	0.8
69.31573	1.8
71.01384	1.2
73.02952	0.5
85.02981	0.8
89.02475	0.6
98.42646	0.4
99.00917	0.3
101.02465	0.7
112.99438	0.3
113.02503	0.8
119.05048	0.4
139.18892	0.3
145.02959	0.7
145.09886	0.6
172.04388	0.4
173.28981	0.4
185.43936	0.4
191.05647	0.4
195.36273	0.3
230.38124	0.4
242.65724	0.4
326.74380	0.5
440.21432	0.8
500.26791	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16874	0.9
56.19601	0.9
59.01383	85.2
62.35651	1.0
69.60616	3.0
69.61028	2.9
77.29642	0.8
77.77047	1.0
82.86871	1.0
91.25311	1.0
98.22449	1.6
132.98216	1.7
157.03555	3.2
159.01508	1.9
174.99255	21.1
180.24147	0.9
201.02556	31.9
202.02719	1.5
217.00304	100.0
218.00653	2.5
343.03836	1.2
359.01480	62.0
360.01743	3.6
388.45755	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01725	1.1
61.98843	1.6
63.65718	0.4
66.91917	0.4
71.01398	3.5
73.02948	3.2
83.01407	1.6
85.02959	1.2
87.00903	1.4
89.02440	0.9
99.00966	0.6
101.02455	4.6
111.00892	10.8
111.01580	0.8
113.02496	1.5
115.00381	0.9
149.04546	0.6
161.02579	0.7
161.04636	1.8
173.00865	0.8
175.02533	0.8
193.05026	0.5
201.12767	0.4
223.13431	2.0
237.68224	0.5
253.09344	0.8
265.94727	0.5
268.25250	0.5
327.22125	0.7
374.02597	0.5
501.23984	0.6
501.31055	1.3
522.95105	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67690	0.3
59.01384	100.0
60.01717	0.9
61.98840	0.5
66.16878	0.3
69.16512	1.8
69.16917	0.6
71.01392	1.7
73.02943	0.5
85.02972	0.7
87.00922	0.3
88.37391	0.3
95.01416	0.3
98.21835	0.7
101.02465	0.9
101.91168	0.3
111.00880	0.4
113.02473	0.8
116.92866	0.3
121.06454	0.3
133.02904	0.3
161.04590	0.4
245.49220	0.3
279.75189	0.3
381.23154	0.4
399.23962	1.8
441.25333	0.5
501.31113	1.2
502.31757	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00616	3.1
55.01882	6.0
55.28291	2.9
55.30929	2.9
57.03457	5.8
58.00590	4.9
59.01384	85.6
61.98830	8.8
71.00883	5.5
71.01389	100.0
71.95583	3.9
72.99306	5.5
73.02960	20.6
83.01395	10.4
85.02958	32.6
87.00898	3.3
89.02452	56.8
95.01420	6.6
99.00857	6.6
101.02461	73.7
113.02459	39.3
119.03510	30.5
121.55739	3.0
139.23682	3.2
143.03476	3.9
149.04605	4.5
159.02991	7.3
161.04521	27.4
179.05721	5.7
207.79390	3.2
253.09453	4.0
265.18091	10.9
361.09000	3.2
457.31757	17.4
501.30798	59.2
502.30850	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	502.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98821	23.1
69.35415	7.7
69.39161	50.3
71.01370	20.1
75.85720	6.5
76.82803	6.3
85.02940	10.6
87.24764	7.6
87.83262	7.8
89.02458	9.1
93.03513	9.8
98.50271	7.6
101.02432	13.7
113.02428	14.4
122.77644	6.4
127.11703	6.6
149.48973	6.6
161.04498	7.8
334.08914	7.8
417.24939	17.0
524.56390	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	502.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19456	3.2
59.01384	100.0
61.98831	13.2
71.01380	12.0
79.83597	4.0
85.02962	6.9
89.02451	5.4
101.02441	7.9
106.93802	3.3
113.02467	6.8
133.02983	4.1
135.04555	4.3
135.27759	3.2
161.02470	3.5
161.04567	4.9
169.76817	3.4
267.88321	3.3
305.27280	3.3
399.24014	16.8
417.25027	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	502.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	3.9
59.01086	5.6
59.01383	100.0
59.84423	3.2
61.98830	25.0
63.28340	3.3
70.53010	7.1
70.53379	5.8
71.01385	18.6
73.02962	6.2
73.32316	3.1
85.02943	5.2
87.00896	5.7
89.02463	9.9
93.03455	4.3
97.93542	3.1
101.02448	12.3
111.43434	2.8
113.02474	10.7
118.10684	3.0
137.02480	3.0
161.04614	5.1
173.04573	3.4
193.14268	3.3
244.93925	3.1
287.85681	2.8
397.02457	3.2
399.24017	28.1
417.24780	17.6
449.14520	4.8
473.16031	3.7
480.10956	3.5
503.32257	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	502.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
60.64390	3.7
61.98838	100.0
70.12597	2.8
71.29130	2.7
71.29723	4.0
75.88340	2.6
87.21000	2.9
115.85513	2.8
122.30456	3.2
133.08565	3.1
217.02982	3.5
228.99025	3.2
270.40851	3.0
399.97559	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.3
61.98832	1.5
69.58749	4.0
71.01389	2.0
85.02966	0.7
85.73883	0.7
89.02473	1.7
101.02435	1.1
107.05070	0.9
107.92374	0.7
113.02483	1.0
118.98109	0.7
121.02956	1.4
123.04526	1.3
133.02982	0.8
134.03770	2.5
135.04535	89.6
136.04886	2.1
137.02484	0.7
148.91008	0.8
149.02509	1.5
149.06102	0.7
179.03505	100.0
180.03877	3.8
193.09785	0.9
195.14473	0.6
221.04578	1.0
323.12262	0.9
341.08804	36.3
342.09122	2.6
342.73129	0.8
503.14124	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	503.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56761	4.3
59.01384	100.0
61.98824	16.6
65.71828	3.7
71.01382	27.7
71.29943	6.5
73.02958	9.9
83.01391	5.6
85.02962	16.0
89.02455	11.5
93.03455	9.5
93.90343	3.7
96.96087	4.5
101.02448	14.3
109.06676	4.5
113.02492	20.2
145.03032	6.3
161.02481	4.2
161.04527	8.0
166.90312	6.3
173.04535	6.6
191.05586	9.3
207.10327	5.2
210.89270	37.4
399.23691	7.6
461.22443	4.7
503.24298	15.0
503.32477	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	504.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
56.75016	0.8
57.03440	1.7
58.00585	1.0
59.01128	1.2
59.01385	13.4
61.98837	1.9
62.77500	0.8
71.01381	14.2
73.02959	4.3
81.57941	0.9
83.01390	2.8
85.02961	10.1
86.00101	1.0
87.00886	1.1
89.02453	5.9
93.03438	4.0
94.16235	0.9
94.93745	1.2
95.01395	2.8
98.22548	2.1
99.00859	1.9
101.02442	10.2
105.99234	0.9
111.00947	1.1
113.02451	11.8
117.03465	21.5
119.03567	2.8
119.05032	63.8
120.05304	1.2
121.02961	2.3
131.05029	1.0
132.05772	2.2
133.02928	1.5
133.06627	8.0
135.04541	1.4
145.02962	87.5
146.03305	2.0
146.80139	0.9
147.04524	2.4
152.86626	1.1
159.04518	3.2
161.04755	1.7
161.06084	18.6
163.04016	62.8
164.04367	2.0
165.51010	1.0
173.04604	0.9
173.06122	1.1
177.05574	10.1
180.10301	2.1
181.93987	1.0
187.03987	9.1
191.07173	1.6
196.09819	2.1
205.03258	1.5
205.05060	17.1
235.06172	2.5
248.89754	1.0
268.11887	1.2
298.13010	4.0
340.13898	3.3
358.15088	84.0
359.15448	6.3
460.19662	2.6
462.78140	1.1
504.18768	100.0
505.19174	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	504.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18387	2.3
59.01381	15.8
61.62143	2.2
64.28599	2.3
71.01392	6.7
75.33276	2.2
80.84863	2.4
83.05030	4.9
89.02457	7.8
97.02959	4.7
99.55365	2.5
101.02440	6.4
109.06597	38.8
111.88299	2.2
113.02466	3.8
119.03544	2.7
123.03736	2.2
135.08127	3.3
161.04572	2.7
163.11311	12.8
181.12376	4.3
189.09210	4.1
207.10272	100.0
208.10663	4.9
209.11984	2.6
225.11345	55.2
226.11530	2.6
229.15350	2.6
249.35785	2.5
253.09320	28.8
461.20389	45.6
462.20468	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0992
Annotation	Quercetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
57.03463	0.2
59.01087	0.2
59.01381	4.0
61.98831	1.6
62.68679	0.2
63.02392	0.5
64.79785	0.2
65.00329	1.3
67.43809	0.2
69.07910	0.2
71.01389	1.4
71.31551	0.3
72.37023	0.2
83.01395	1.0
85.02959	0.5
89.02452	1.0
91.01907	0.5
93.03461	0.6
95.01429	0.3
95.69243	0.2
101.02433	0.8
105.27637	0.2
107.01392	2.6
108.02178	1.6
109.02950	1.5
111.00878	0.2
113.02451	0.6
117.03403	0.2
119.01331	0.3
119.05043	0.4
120.02232	0.3
121.02975	1.9
124.01663	0.2
125.02438	0.4
133.02942	0.2
135.00890	1.0
135.04521	0.3
137.02371	0.3
145.02937	0.9
148.01691	1.9
149.02400	0.4
151.00381	10.7
152.00778	0.2
155.04955	0.2
159.04535	0.4
161.02477	0.4
163.00397	2.6
163.03995	0.4
164.01190	0.8
165.01866	0.2
169.01489	0.4
171.04494	0.2
173.06131	0.3
173.94081	0.2
175.04039	0.4
175.90079	0.2
178.99870	5.2
179.05556	0.3
183.04485	0.5
184.80360	0.2
185.15701	0.2
187.03960	0.7
189.05617	0.3
190.02586	0.2
190.99850	0.2
192.00659	0.5
198.03142	0.3
199.04008	1.3
200.04692	0.2
201.01987	0.3
201.05545	0.3
203.03561	0.4
211.03992	1.4
213.02057	0.4
215.03551	1.1
215.05392	0.2
216.04285	0.8
219.86082	0.2
226.02765	2.0
227.03537	3.3
228.04001	0.4
229.05019	0.7
239.03473	0.4
243.02986	13.0
244.03581	1.1
245.04509	1.2
254.02231	2.3
255.03000	30.5
256.03403	1.9
271.02493	64.4
272.02927	4.6
273.04025	0.8
283.02512	1.5
299.02045	1.5
300.02765	100.0
301.03497	46.3
302.03909	2.2
325.20465	0.4
343.04663	0.5
444.09045	0.2
463.08878	3.2
464.08905	0.2
505.09915	58.6
506.10245	6.5
506.15823	0.2
506.26636	0.3
519.45361	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09685	0.6
73.90520	0.5
76.24582	0.5
76.94530	0.5
97.48828	0.5
98.22591	1.6
105.29594	0.7
118.32789	0.5
121.02967	100.0
122.03299	2.7
162.84023	0.5
181.06534	3.2
186.41451	0.5
197.06035	3.1
207.04518	1.7
207.08147	0.7
225.05647	1.9
257.09760	1.1
260.70358	0.6
269.94107	0.5
313.07175	4.6
357.06256	0.7
373.10950	0.9
383.07727	1.0
417.09793	11.1
418.10141	1.0
505.11462	6.0
506.11584	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10316	0.8
59.01385	13.4
61.98837	1.1
68.99831	2.8
69.03458	1.8
70.59393	2.6
71.01392	9.6
72.99302	0.9
73.02952	2.8
74.02479	3.1
75.41103	0.8
85.02959	3.6
87.00909	2.1
89.02451	8.3
93.03484	3.2
95.01393	1.2
101.02451	7.3
113.02473	2.8
119.03562	1.3
125.02446	2.2
126.99583	81.0
127.99925	1.2
131.03546	2.7
131.08693	9.1
133.02995	3.7
135.04521	1.2
149.04567	3.5
151.03192	11.6
154.99120	2.2
159.04539	1.9
161.02495	1.6
161.06149	0.8
163.07680	16.5
165.04773	13.2
167.06337	43.3
168.06689	1.9
172.05339	4.1
173.04599	1.2
173.06030	1.2
177.01884	1.0
183.04567	1.5
187.04085	1.7
187.07654	22.5
188.08093	1.3
189.05629	4.3
191.05627	4.3
199.04060	1.1
200.04861	1.6
201.05663	0.9
203.03738	0.9
210.88075	1.0
211.05334	100.0
212.05716	5.1
213.05551	1.9
213.09267	2.0
215.07109	5.6
221.93311	0.9
224.01591	0.8
227.03568	3.7
228.04314	1.5
229.08720	1.8
230.27470	1.0
231.06674	3.1
233.06824	0.9
236.52943	1.0
241.09773	1.0
257.08200	22.9
258.08606	1.4
293.08951	1.3
325.42407	0.9
449.14322	1.3
461.18115	8.6
461.23038	0.9
505.21091	2.9
505.29773	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	505.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.9
59.01384	100.0
59.74276	0.5
60.01719	0.7
61.98849	1.0
69.03481	0.6
69.29343	3.7
71.01396	2.2
73.02946	1.0
89.02473	1.2
97.06644	0.5
101.02484	1.7
113.02489	0.9
116.16908	0.6
137.09778	0.9
163.11313	0.8
205.12323	0.6
221.15660	0.7
223.13493	0.9
225.10197	0.6
283.15506	4.0
284.15854	0.7
343.08630	0.9
387.87036	0.5
418.36960	0.6
429.52972	0.6
445.20837	0.8
493.84274	0.5
505.23270	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
57.03453	1.8
59.01385	100.0
60.01713	0.8
60.34047	0.5
69.03465	2.1
69.21271	3.8
71.01388	25.2
72.99300	0.9
73.02945	5.6
78.71603	0.5
81.03474	1.2
83.01411	2.5
83.05019	0.6
85.02957	10.9
85.23977	0.6
87.00895	2.8
89.02452	11.2
93.03480	0.8
95.01425	2.0
97.02969	3.9
99.00888	4.1
101.02445	11.8
109.03003	0.9
111.00910	0.8
113.02447	13.0
117.03458	3.0
119.03540	1.6
119.05016	3.4
121.02970	0.8
125.02457	7.2
125.03322	0.7
131.03519	8.1
133.02992	0.9
135.04558	2.3
137.02502	0.9
139.04062	1.3
143.03551	1.3
145.02971	10.7
147.04517	0.7
149.04539	3.9
159.03073	0.8
161.02501	5.5
161.04605	2.6
161.06062	0.8
163.04057	3.1
167.03516	0.6
170.04568	0.7
173.04678	1.3
177.05728	0.7
179.03548	2.3
187.04091	1.8
191.05714	2.1
195.56612	0.6
196.06224	0.7
198.04138	1.1
203.03545	1.4
205.05264	1.0
205.07301	0.6
209.11917	1.4
209.33928	0.5
215.05618	9.3
215.07358	0.8
227.07272	0.8
227.12999	0.7
233.06638	7.8
275.07886	1.3
300.02875	1.1
313.16843	1.0
316.10843	0.7
331.17703	4.5
341.09140	1.3
383.78946	0.7
445.20798	7.4
463.21796	5.5
505.26733	12.3
506.16833	1.2
506.27332	1.1
511.36481	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29041	1.1
57.97157	1.0
59.01385	1.3
67.84916	1.2
70.85815	2.5
75.36619	1.2
78.95446	1.4
78.95910	29.3
96.96981	2.3
122.94929	1.1
152.99593	43.9
167.66731	1.3
171.00581	1.8
179.78358	1.1
185.61797	1.1
227.03319	7.3
240.78067	1.3
277.21750	100.0
278.22131	6.8
285.86673	1.2
337.47842	1.1
395.70935	1.2
437.71100	1.2
505.25778	53.9
506.26212	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	505.2579
Annotation	Amoritin
Peak:m/z	Relative Intensity
59.01375	1.7
70.47052	1.6
71.01436	0.5
78.95917	34.3
87.32671	0.4
96.96980	3.3
106.31638	0.5
150.97977	0.7
152.99608	43.8
153.99947	0.6
171.00662	1.7
227.03310	6.6
233.22768	0.6
245.04332	1.5
259.20728	0.7
277.21762	100.0
278.22101	7.9
297.01950	0.5
413.21042	0.9
431.21536	0.5
505.25809	52.9
506.26166	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	505.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68592	0.9
57.03442	1.7
59.01382	73.5
62.66751	1.2
63.17354	1.0
69.28135	8.2
71.01384	19.3
72.99301	2.3
73.02946	2.9
75.00852	1.3
83.01400	1.9
85.02956	6.7
87.04518	1.4
87.16458	1.0
89.02448	16.3
96.96014	1.3
99.00887	1.6
101.02444	11.8
111.00939	1.8
113.02460	8.7
117.03475	1.3
119.03525	6.5
119.05056	2.1
120.99688	1.4
135.04485	1.3
136.01624	2.4
137.02383	1.4
145.02946	4.4
149.06020	1.3
151.00406	1.2
151.03963	4.8
153.05721	1.0
159.04504	1.0
161.02437	3.9
163.04008	1.4
179.05688	1.8
187.04083	1.1
193.63068	1.3
207.10208	1.2
208.10532	1.2
209.11823	1.4
218.93359	1.1
227.03555	2.8
237.91595	1.2
255.03012	5.0
271.02472	4.3
284.03253	4.0
285.04010	1.8
300.02646	7.8
301.03552	3.7
325.20193	5.9
343.11917	6.7
344.12558	1.5
353.78162	1.2
398.06363	1.1
447.09335	5.4
487.25583	3.3
505.10611	6.0
505.26605	100.0
506.27148	9.4
520.88947	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25422	0.9
54.66338	1.0
59.01379	13.2
60.99306	1.2
61.98827	1.5
64.87658	1.0
69.15753	7.4
71.01387	9.4
73.02943	2.8
74.04756	0.8
78.06830	0.8
83.01400	1.3
85.02954	5.4
87.00887	1.6
89.02454	4.0
93.03440	2.5
95.01439	1.6
95.05649	0.9
96.96095	0.8
98.21779	1.4
99.00829	0.9
101.02465	5.3
102.91483	0.9
113.02458	7.7
117.03477	24.2
119.05039	68.1
120.05368	2.2
121.02960	1.2
123.04556	1.1
132.05833	1.1
133.06604	3.5
135.04515	1.7
138.05603	1.9
144.26448	0.8
145.02965	100.0
145.46361	1.0
146.03313	3.2
154.05132	1.4
159.04559	2.3
161.02420	1.0
161.06058	6.7
163.04027	79.5
164.04356	3.3
171.55580	0.9
177.05557	4.6
187.04010	6.5
188.64771	0.8
191.07172	1.2
196.06201	1.2
205.04985	8.4
217.05153	1.3
235.06047	1.9
244.03374	1.1
255.02782	1.1
256.03299	1.5
256.08289	1.7
271.02469	1.8
272.02887	2.5
298.09329	2.8
300.02774	3.1
301.03275	5.4
302.03745	1.6
316.10385	35.4
360.13040	6.2
418.15173	1.6
425.64917	2.0
444.16614	14.5
462.14023	52.8
463.14371	5.7
488.15411	2.9
506.10184	4.7
506.16718	46.8
506.26773	3.3
507.16757	4.8
507.27847	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	506.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19753	0.3
59.01387	6.5
61.98814	0.7
62.64719	0.3
71.01386	3.7
71.30141	0.4
71.30534	0.3
72.99312	0.4
73.02939	0.3
74.45976	0.3
75.00888	0.3
80.05046	0.5
82.44470	0.3
85.02951	1.2
86.97006	0.3
87.00867	0.3
89.02451	3.9
96.04556	0.9
101.02438	2.7
105.03453	0.5
105.24660	0.3
106.85944	0.3
113.02460	2.0
117.03504	1.4
119.03541	1.7
119.05042	1.2
123.04521	0.3
130.39178	0.3
132.02206	1.4
133.02968	27.3
134.03256	0.8
135.04541	6.0
145.02969	4.1
155.66988	0.3
161.02457	100.0
162.02776	3.4
163.04015	1.0
166.05127	0.8
179.03523	3.1
182.08217	0.6
187.03984	0.8
209.11836	0.6
211.07555	0.3
235.62366	0.3
325.09308	0.4
344.13522	20.7
345.13916	0.9
447.26080	0.4
457.30325	0.3
489.26859	0.3
506.16705	21.0
506.26450	1.0
507.17068	2.0
507.28207	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	506.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14450	1.8
59.01379	33.8
61.98835	13.3
71.01385	24.4
71.31617	2.3
73.02948	3.6
73.22901	1.7
75.12381	1.7
76.64134	1.7
83.01411	3.5
85.02950	13.5
87.00880	3.6
89.02450	14.7
93.03442	2.4
95.01377	2.5
96.96003	2.1
99.00887	3.1
101.02444	13.7
110.02519	2.2
113.02470	13.6
117.03468	23.7
118.97019	2.0
119.03531	5.9
119.05037	39.8
120.05322	2.6
133.02966	2.5
133.06587	4.3
134.90248	2.0
145.02968	100.0
146.03293	5.1
146.16020	2.2
159.04546	5.7
161.02484	4.2
161.04570	9.8
161.06075	6.1
163.04019	45.1
164.04327	2.3
177.05634	2.5
187.04019	30.1
191.07082	2.1
205.05067	6.6
217.04955	2.2
219.10394	2.4
235.06068	3.6
265.07217	5.0
307.08234	3.2
316.10239	14.8
325.09238	16.6
331.17596	13.3
360.12747	2.4
369.66992	2.3
444.16675	4.6
462.13855	15.3
463.21863	9.5
464.22205	2.1
506.10602	2.1
506.16971	13.8
506.27197	10.1
507.28278	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	506.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50407	2.2
53.08916	1.9
58.00591	2.0
59.01089	2.6
59.01385	39.0
59.35796	2.3
61.98840	4.4
65.11063	1.9
70.27343	5.1
70.27740	4.4
71.01387	37.0
72.00920	17.5
77.37009	2.5
85.02960	4.2
87.00896	3.4
89.02454	48.4
90.02806	1.9
95.01390	3.7
95.45421	2.5
98.22453	2.2
101.02441	17.4
113.02435	15.5
119.03490	20.3
121.02923	3.1
131.03566	2.7
131.55109	2.4
143.03442	4.4
147.04544	49.8
148.04890	2.8
158.51913	2.3
161.04581	9.1
164.07172	100.0
165.07483	3.0
179.05629	31.1
208.64566	2.4
225.99634	2.3
239.26027	2.0
341.10907	91.8
341.15070	4.9
342.11243	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	506.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	59.3
61.98815	6.5
70.38161	3.3
71.01385	69.6
73.02952	19.5
83.01401	5.6
85.02959	25.1
87.00881	5.0
89.02451	43.3
93.03493	4.2
95.01379	7.1
97.02971	6.3
99.00878	9.5
101.02454	46.3
111.29256	3.3
113.02461	32.9
117.03458	20.3
117.46232	3.6
119.03511	14.5
119.05038	58.2
131.03477	9.0
136.07709	5.7
145.02966	100.0
149.04558	10.4
150.05476	4.4
154.01514	3.4
154.05150	4.3
161.04570	49.8
161.06094	9.7
162.05588	3.4
163.04016	77.2
164.04404	4.2
165.62248	4.0
169.93394	3.3
177.31509	3.8
179.05569	4.5
187.03957	6.5
205.05093	7.3
316.10284	27.7
331.17624	95.0
332.17960	4.5
356.26343	4.4
360.12973	11.4
363.33148	4.3
444.16727	11.9
462.13849	36.9
463.21835	75.5
506.16818	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.8
59.01388	65.7
61.98844	5.9
71.01035	6.0
71.01395	88.0
73.02946	15.4
81.67670	3.8
83.01385	10.3
85.02970	23.6
87.00867	6.2
89.02455	47.2
95.01398	3.9
97.02969	4.6
99.00916	7.9
101.02458	48.3
113.02460	25.0
117.03476	13.7
119.03532	12.7
119.05040	21.1
125.02470	6.4
131.03502	9.7
136.07652	7.3
143.03537	5.8
145.02966	56.1
149.04565	10.1
159.03033	5.3
161.02452	8.0
161.04620	44.2
163.04012	22.8
169.12395	3.8
179.05629	5.5
187.03984	9.7
189.41414	3.5
197.91670	3.9
205.05193	3.3
224.73961	3.2
270.16333	3.2
331.13876	6.7
331.17661	100.0
332.18045	6.3
342.11972	5.0
360.13040	16.0
372.62924	3.7
404.64197	4.6
463.21906	77.4
464.22202	4.4
506.17020	5.5
506.27161	4.3
507.27930	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	507.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	13.5
61.98819	4.3
71.01380	8.8
71.31451	2.3
73.02911	1.7
85.02962	3.2
89.02456	4.4
93.03432	2.4
96.95979	2.2
101.02436	6.8
110.02498	2.0
113.02430	4.0
117.03448	2.4
117.32822	1.5
119.05013	4.4
133.02966	27.7
135.04544	22.9
145.02954	4.6
149.06128	2.4
152.03499	4.7
153.03888	3.0
161.02454	100.0
162.02802	2.7
163.03934	3.0
164.03503	2.5
174.87099	1.5
177.05519	5.2
179.03502	25.1
203.03491	13.7
221.04524	3.7
233.04443	2.0
281.06625	6.5
282.12323	2.3
325.09113	1.8
341.08746	49.8
342.09189	2.4
344.12695	4.2
439.12476	27.9
493.26031	1.6
507.27802	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	507.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28522	1.4
59.01373	5.6
68.65770	1.4
69.21529	10.0
69.21931	2.3
71.01376	2.7
75.00883	6.7
87.00883	26.3
87.01399	2.1
89.02475	3.1
99.00910	2.8
101.02449	3.1
105.01948	19.1
108.97912	1.4
111.00854	2.0
147.03018	4.5
165.04054	100.0
166.04326	1.7
178.98442	1.4
191.05701	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65045	0.4
59.01385	4.4
61.98850	4.2
69.55735	1.9
69.56145	0.8
71.01396	3.3
73.02939	0.9
83.01388	0.6
85.02962	1.3
89.02459	1.4
93.03468	0.9
94.03018	1.1
95.03780	0.7
96.04514	0.5
101.02457	1.6
104.05093	0.8
106.06643	2.0
108.04537	0.9
112.04021	0.9
113.02473	1.5
119.03477	0.7
119.05059	1.6
120.04539	0.6
121.02946	2.0
122.06121	1.4
124.07703	3.9
126.84518	0.5
132.04567	22.5
133.03088	0.5
133.05360	9.9
134.06178	4.0
135.04568	0.6
136.17586	0.6
138.05569	0.9
145.03026	1.0
146.02470	0.6
147.04498	0.4
148.04012	0.7
150.05592	0.8
161.02434	0.9
161.04564	1.0
163.04041	1.4
165.04330	14.8
166.04729	0.6
167.10794	0.6
176.03551	1.0
176.07172	1.0
177.04321	2.3
178.05135	1.5
179.05872	0.4
182.04628	1.2
186.09239	1.9
198.09369	1.0
209.03299	3.8
213.06776	1.3
214.12396	3.6
215.11923	4.2
218.00383	0.5
226.07457	0.5
227.08350	0.5
229.09840	2.1
240.10362	1.6
241.10020	2.6
255.11438	0.9
257.13004	16.4
258.13568	0.6
282.63907	0.6
283.10953	9.0
301.12006	9.9
302.12317	0.8
327.09763	1.4
345.10944	100.0
346.11270	6.2
387.11731	0.9
507.16190	7.2
508.15555	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	39.6
69.17847	14.5
71.01374	18.6
73.02942	4.9
74.02454	2.0
77.49657	1.5
77.62473	1.5
83.01387	2.4
85.02943	7.1
87.00892	1.8
89.02449	11.8
94.02991	3.0
95.01399	3.1
96.04568	3.7
101.02458	10.3
109.01701	3.2
110.02525	2.6
113.02442	13.2
117.03474	8.6
119.03542	2.3
119.05037	11.5
121.02964	100.0
131.07137	8.6
133.02945	4.1
135.04512	4.2
136.04044	1.8
138.05583	2.7
145.02960	56.1
145.04111	3.6
161.02461	19.1
161.04523	2.3
163.04002	8.5
173.08182	3.3
179.03505	6.1
182.04576	10.1
185.05855	1.7
187.04054	3.4
203.03490	4.1
245.09314	3.0
259.28860	1.7
326.12457	12.5
341.08777	8.0
344.13516	33.1
374.41116	1.8
386.14526	19.7
405.77240	1.8
428.55826	1.8
439.12454	4.7
490.17014	15.9
507.28067	4.0
508.18057	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	507.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	34.1
60.99304	15.8
61.98832	6.5
70.32887	4.7
70.33258	4.8
71.01386	13.5
73.02911	5.2
79.05518	3.1
80.55211	2.1
83.01418	2.3
85.02943	6.0
87.00873	5.2
88.98814	100.0
89.02472	6.3
92.43691	1.9
99.00878	3.0
101.02437	11.0
109.06582	4.2
113.02456	5.9
121.32368	2.1
125.09732	2.1
135.04558	3.1
145.02979	3.9
148.91084	2.4
161.02483	2.5
161.04642	2.4
163.04025	2.9
163.11311	2.9
191.05609	4.4
194.99400	2.2
197.11790	2.9
207.10245	9.4
225.11275	6.3
301.09970	3.9
336.76163	2.3
413.40720	2.6
447.26044	3.1
461.20343	4.6
465.26605	3.3
507.21719	3.6
507.28314	46.7
508.28680	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	507.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26117	7.6
59.01387	68.8
61.98831	100.0
69.87315	7.0
71.01382	28.2
72.32395	5.9
73.02943	18.8
76.13798	6.2
85.02950	21.0
87.00881	21.3
89.02457	16.3
91.46809	7.0
93.03475	17.8
97.06618	7.0
101.02457	24.8
109.06570	7.6
110.89314	6.2
113.02460	23.0
133.02979	15.5
135.04494	11.4
137.02444	17.8
153.12825	7.6
161.02455	7.5
179.25902	5.9
179.46384	6.5
191.05484	13.0
197.11873	14.1
207.10280	38.0
225.11325	14.1
266.60175	7.0
345.17151	9.3
374.05960	8.0
453.91470	7.0
465.26932	8.7
471.22055	9.9
507.20956	8.0
507.27988	19.6
507.31644	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.6
57.03452	4.9
59.01386	36.4
61.38461	2.3
61.98832	6.3
65.45219	2.7
68.11581	2.5
71.01383	58.6
71.30615	4.3
72.99307	3.1
73.02952	25.2
78.95908	4.9
83.01418	8.1
85.02953	28.6
87.00899	8.3
89.02448	20.9
93.03531	2.3
95.01408	6.6
97.02921	3.1
99.00902	11.7
101.02450	51.7
109.03004	2.6
111.00906	3.0
113.02460	23.4
119.03542	8.6
120.96613	2.5
133.03000	8.4
135.04555	5.8
137.02516	4.7
145.02994	5.7
152.99619	6.1
159.03058	7.1
161.02478	12.5
161.04552	18.2
191.05782	3.4
223.20671	2.6
227.03418	3.1
249.66756	2.9
273.71155	2.6
305.59027	2.6
345.30078	21.0
446.14645	7.9
471.22696	9.0
507.35623	100.0
508.36099	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	507.209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72997	4.9
59.01384	100.0
66.17579	5.5
66.89530	5.1
71.01383	51.5
73.02959	9.7
85.02955	16.0
87.00858	6.4
89.02454	26.5
93.03451	40.0
97.06523	5.1
101.02463	27.2
113.02458	17.7
115.93147	6.7
131.03546	11.9
149.04605	6.8
150.74510	5.5
161.04628	6.2
191.05652	8.6
213.05582	21.6
215.05658	7.6
223.71344	5.5
229.17050	8.3
294.07111	7.0
315.18301	7.0
318.15390	6.2
403.19559	6.9
447.22235	34.2
507.27069	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	507.245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12118	1.9
59.01383	58.3
61.98822	3.9
64.48601	1.8
69.60038	8.6
71.01385	52.7
72.99299	2.4
73.02945	13.4
78.91493	1.8
83.01395	5.8
85.02961	15.7
87.00858	4.7
89.02450	30.5
93.03463	25.3
95.01388	2.5
99.00888	5.4
101.02448	34.3
111.00888	2.4
113.02454	15.1
119.03520	3.3
125.02472	7.0
131.03517	16.6
143.03555	3.3
149.04581	11.8
159.02934	2.3
161.04575	14.2
169.06641	3.9
191.05655	8.5
213.05595	19.7
233.06772	2.8
272.83652	2.0
285.20816	2.2
290.27991	2.2
315.18161	14.2
419.65326	2.2
447.22348	100.0
448.22690	6.9
504.43231	2.1
507.27985	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	507.245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55735	5.1
56.60128	4.9
59.01389	50.9
60.99299	17.2
61.98839	16.2
69.61002	28.7
71.01382	21.6
73.02937	8.0
82.04519	6.1
85.02950	12.0
87.00880	24.0
88.98369	8.2
88.98822	100.0
89.02464	99.6
101.02472	10.4
113.02529	7.7
117.16557	5.2
133.02968	36.4
135.04503	11.3
161.02461	15.1
177.02026	9.7
179.03468	9.1
191.05598	14.1
205.88942	5.4
438.11649	12.0
447.25919	10.4
489.27081	7.5
507.27902	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20825	4.1
59.01392	45.4
60.99308	13.0
61.98822	18.8
62.61834	4.0
69.00799	4.0
69.07708	31.1
69.08126	16.1
71.01389	18.7
73.02966	7.2
83.01417	5.2
85.02940	16.1
87.00885	16.5
88.98814	87.0
89.02457	75.1
93.03513	6.2
95.01378	5.8
101.02469	15.6
105.03475	6.3
108.04565	11.6
113.02469	10.7
119.03472	5.3
119.05026	5.8
133.02966	14.3
135.04568	5.5
145.02954	8.0
149.04816	6.9
150.05626	100.0
161.04608	6.0
191.05582	6.5
215.30542	4.9
226.12373	13.3
231.73935	4.5
315.18195	14.3
341.55994	4.5
345.14517	31.4
465.27292	5.9
507.19821	13.0
507.27817	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	507.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.8
58.44110	0.7
59.01383	100.0
60.01702	0.8
60.33240	0.7
61.98822	3.5
69.37971	3.7
69.38383	1.8
71.01389	8.1
72.99293	1.0
73.02956	5.9
76.62027	0.7
83.01388	2.1
85.02951	2.6
86.17784	0.9
89.02434	3.8
97.02964	0.9
99.00852	0.9
99.42332	0.8
101.02455	7.3
113.02457	7.0
119.03511	1.2
119.05007	1.3
121.02952	2.2
136.01636	0.8
139.07651	1.9
143.03497	1.0
145.02965	1.0
149.04523	0.7
149.09741	8.0
151.15025	0.8
153.09193	2.4
161.04546	2.5
163.03984	0.9
164.03539	12.5
167.10774	16.3
179.05586	1.8
209.14720	0.8
225.14919	2.6
243.15929	2.3
255.47781	0.9
313.95154	1.0
345.09967	1.3
387.20221	6.8
405.21216	1.7
447.22305	10.5
482.85474	0.8
507.14700	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.4
59.01364	4.4
63.22836	2.0
70.91216	2.5
70.91547	3.7
81.03466	4.6
83.05026	4.2
97.06595	7.4
108.02129	2.6
108.60787	1.7
109.06603	8.3
115.42400	2.2
121.02903	1.9
123.08167	3.6
123.23505	2.2
125.09737	29.6
135.08214	2.4
145.02945	3.4
161.05942	2.1
163.11357	4.2
172.89949	2.3
175.11295	5.4
187.09737	5.2
191.10770	7.0
193.12347	2.9
207.10303	5.8
209.11841	26.5
217.12595	2.0
219.10188	5.8
237.11327	6.1
245.11794	2.4
251.12889	2.5
263.12885	7.0
301.21674	2.0
317.21194	2.7
327.19443	3.6
343.19046	2.3
345.20807	4.7
353.17578	2.5
361.20288	3.4
369.20831	3.1
371.18558	2.8
397.20361	2.6
415.20914	2.9
419.24524	4.8
434.95428	2.3
435.23697	5.4
445.16220	3.0
445.22263	35.8
446.22574	3.5
461.25128	2.8
463.23370	100.0
464.23773	11.6
471.23883	8.3
489.24963	48.1
490.25552	3.7
507.25687	14.2
508.26328	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2599
Annotation	Asn Thr Phe Lys
Peak:m/z	Relative Intensity
57.03446	2.8
59.01370	2.6
67.69467	1.7
81.03461	3.3
84.94626	2.0
95.05041	3.3
96.34187	1.8
97.06591	10.2
98.21783	6.4
108.02185	2.3
109.06594	3.2
123.08169	3.9
125.09718	25.7
126.10140	1.8
135.08188	2.7
140.54593	1.7
163.11272	4.2
175.11266	4.8
185.11873	2.1
187.09790	2.2
191.10751	5.1
193.12317	2.3
205.12564	2.0
207.10260	5.3
209.11803	22.9
219.10272	4.7
225.11449	3.0
229.19310	2.6
237.11417	5.3
261.13675	3.1
263.12964	5.0
283.20898	2.1
293.13950	1.9
297.74725	2.1
301.21704	2.4
317.21066	2.8
325.17966	1.9
327.19861	4.0
345.20685	4.0
361.20148	2.3
369.20917	2.3
371.18393	3.2
387.22012	2.2
397.20319	2.8
415.21188	1.9
419.24371	6.1
435.23792	5.4
445.22287	32.0
461.25604	2.5
463.23380	100.0
464.23605	10.7
471.24060	3.5
489.24936	45.9
490.25366	6.2
507.25894	13.9
508.26318	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	507.273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11780	1.1
70.16633	3.3
70.17027	2.9
78.95907	30.2
95.07677	1.2
96.96972	1.5
152.99603	36.7
171.00723	1.9
196.89510	2.0
227.03339	5.9
279.23306	100.0
280.23685	6.7
415.22934	1.7
507.27222	48.1
508.27396	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	507.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
60.13568	0.9
69.01001	7.8
69.01409	2.1
78.95919	3.3
79.44073	1.0
79.49248	1.0
98.21783	1.8
109.37959	1.3
117.03472	1.3
121.02919	1.1
124.45380	1.1
133.02977	27.4
134.03795	6.7
135.04555	18.4
137.02480	4.8
152.99625	3.8
161.02467	100.0
162.02803	3.0
174.68315	1.0
177.53519	0.9
177.67021	1.1
179.03534	4.2
208.37985	1.0
271.22717	9.0
279.23337	13.5
281.24823	6.4
282.25189	14.4
313.64133	1.0
319.28668	1.1
344.63693	1.3
347.26001	6.4
382.80624	1.2
415.24951	49.5
415.30542	2.6
416.25247	6.1
433.25970	16.8
434.26404	2.3
507.29663	93.4
508.29987	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	507.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57018	0.3
59.01386	0.9
64.15864	0.3
64.71780	0.3
65.68423	0.3
80.65967	0.3
89.02448	0.6
91.04023	0.6
95.68921	0.3
98.22523	1.0
105.03450	0.6
106.04318	0.5
107.05170	0.4
117.03453	1.6
119.32240	0.3
121.02962	0.8
132.02194	1.0
133.02971	26.0
134.03796	5.3
135.04541	14.2
137.02438	3.5
139.04044	0.7
148.05313	0.3
150.03227	0.6
161.02458	100.0
162.02814	2.8
178.02684	1.0
179.03534	4.9
225.22311	0.6
229.14197	0.4
235.06105	0.6
271.22791	8.3
272.23117	0.8
279.23315	0.8
347.25934	7.8
347.29907	0.6
348.26260	0.7
371.26117	0.8
415.24915	43.7
416.25348	4.5
433.25946	13.9
434.26422	0.9
452.46182	0.3
507.29660	65.9
508.29941	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	507.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44844	0.9
57.03458	1.1
59.01387	1.4
70.60239	1.0
74.29772	0.9
91.04025	3.1
93.03472	1.4
117.03479	24.7
119.05054	11.1
121.02957	4.4
123.04505	1.6
129.03473	2.5
130.04272	4.6
132.05841	2.6
133.02954	1.8
134.03792	1.1
145.02966	54.0
146.03366	1.7
158.07347	3.0
161.90393	0.9
163.04028	12.8
174.03241	2.9
175.04060	1.9
190.49738	0.9
202.02780	3.4
210.42854	1.0
211.20654	1.1
215.03493	1.8
229.21313	1.4
241.21748	2.7
279.29877	1.0
287.22260	7.7
311.22296	14.3
343.26434	2.6
345.27991	4.1
347.25699	1.4
371.26001	2.4
415.24921	100.0
416.25317	10.1
433.25974	3.6
439.68936	1.1
473.03308	1.1
507.29688	40.0
508.29968	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	507.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93986	0.2
59.01365	0.4
62.32998	0.3
69.00536	1.5
69.00961	1.2
72.29044	0.3
77.26674	0.2
77.89704	0.3
79.04327	0.3
93.03472	0.7
94.55659	0.2
97.78551	0.2
98.21759	0.4
117.03481	1.1
119.05039	100.0
120.05378	2.4
123.60344	0.2
132.80527	0.2
145.02991	2.9
163.04024	85.0
164.04355	2.8
209.11755	0.3
219.32498	0.3
287.22440	0.4
329.23199	0.4
401.10620	0.3
415.24884	0.5
463.23361	0.5
507.29565	8.8
508.29999	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.4
61.00330	0.2
68.74928	0.2
69.49169	1.3
73.09068	0.2
79.63673	0.2
91.05524	0.2
93.03469	0.5
98.22487	0.4
117.03471	1.2
119.05038	100.0
120.05367	2.8
143.23663	0.2
145.02953	2.2
147.52820	0.2
163.04022	88.7
164.04367	2.7
209.11754	0.3
304.77884	0.2
312.34967	0.2
328.56442	0.2
333.12561	0.2
371.26163	0.3
415.25177	0.4
445.21982	0.3
463.23727	0.9
489.25156	0.5
507.29636	9.0
508.29840	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45668	0.9
57.44196	1.1
61.05256	0.9
68.47446	1.0
70.58760	2.4
91.03991	2.3
105.53407	1.3
117.03477	24.9
119.05045	9.3
121.02962	5.0
123.04543	2.3
129.03456	1.8
130.04216	3.3
132.05806	2.9
145.02965	52.9
146.03343	1.4
158.03670	1.2
158.07329	2.8
163.04019	12.4
173.02388	1.2
174.03285	4.7
175.03955	2.0
182.51579	1.0
202.02618	1.5
205.79059	1.2
215.03426	1.4
241.21786	1.7
287.22354	8.2
311.22302	14.4
312.22580	1.7
343.26273	3.5
345.27881	2.8
350.67041	1.1
371.25833	2.6
372.26486	1.2
389.27005	1.3
415.24924	100.0
416.25247	9.8
433.25946	5.4
457.04953	1.0
483.20490	1.2
507.29620	40.2
508.29654	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	507.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
70.04132	7.1
78.95910	14.3
95.05006	2.1
105.03484	9.0
119.49613	1.7
132.02176	4.1
133.02959	37.0
134.03822	9.7
135.04581	5.2
152.99626	18.3
160.01660	22.9
161.02475	20.1
162.35379	1.8
175.04022	53.4
175.05516	3.2
176.04379	2.1
177.01929	2.4
178.02750	4.0
179.03552	2.8
193.05089	3.1
219.34036	2.0
227.03239	2.7
233.08186	3.2
247.09789	3.0
257.21255	6.8
261.11130	2.3
279.23315	53.4
279.26263	2.8
280.23892	2.8
281.24692	2.7
282.25275	7.5
317.17703	2.4
331.19318	3.1
360.94473	2.2
401.23242	9.8
415.24835	22.4
416.25174	2.2
419.24777	2.7
425.13187	2.2
433.26019	45.2
434.26599	5.7
460.81802	1.8
492.27692	4.0
507.29544	100.0
508.30060	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	508.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	13.2
61.98839	1.2
63.79337	0.7
71.01387	9.7
73.02962	3.9
83.01390	1.4
85.02519	0.9
85.02962	4.8
85.43640	0.8
89.02457	7.9
91.28123	0.7
93.03447	0.8
94.01750	0.7
94.03014	1.5
95.01413	1.8
96.04578	2.9
98.21720	1.7
99.00896	1.3
101.02435	5.8
113.02464	7.5
117.03470	10.0
119.03543	3.0
119.05048	6.7
121.02972	100.0
122.03324	2.2
122.62592	0.8
136.04079	1.1
138.05618	1.9
143.03577	0.9
145.02968	50.5
146.03319	2.8
161.02466	2.2
161.04678	1.2
162.02870	1.1
163.04053	4.8
179.05553	1.0
182.04544	4.1
187.04007	1.7
205.05109	0.8
218.78938	0.8
228.97150	1.0
326.12415	11.1
342.09457	1.3
344.13513	33.1
345.13751	1.9
386.14594	24.6
387.14902	1.5
463.22467	1.0
472.62732	0.9
490.17252	14.0
491.17450	1.8
508.18042	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	509.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.1
69.23974	18.1
71.01391	4.2
72.81888	2.0
89.02505	3.0
101.02462	3.6
111.34083	2.1
112.63889	2.1
113.02454	8.3
119.05052	11.3
121.02965	100.0
122.03384	2.0
145.02980	8.4
161.06090	4.4
163.04013	12.7
166.05103	3.9
179.07050	2.8
180.25269	2.1
181.05090	28.7
197.40070	2.1
223.06079	15.5
233.67365	2.1
235.06122	16.3
253.07216	8.7
265.07205	14.3
266.65268	2.1
283.08368	11.4
327.57309	2.2
343.10199	6.1
509.17609	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01219	4.7
59.01385	100.0
61.98828	6.3
70.33309	4.0
71.01395	18.0
73.02959	5.8
76.29302	4.6
84.43651	4.4
85.02953	6.2
89.02481	4.6
101.02476	13.1
108.02227	5.8
113.02490	9.5
135.04608	6.8
152.01204	15.4
161.02498	15.3
162.02689	6.3
167.03491	30.0
178.49213	4.4
179.03537	5.4
207.13985	6.2
220.12779	4.3
347.11407	12.7
509.16019	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	509.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60359	1.2
57.03453	2.3
59.01369	5.6
65.03951	2.7
69.02393	5.5
69.02812	8.5
69.03445	1.6
71.01375	2.6
71.99251	1.7
80.02690	2.3
81.03456	6.6
83.05026	12.0
84.02162	2.9
93.03474	5.1
95.05012	2.2
97.02958	5.2
97.06596	1.8
98.21738	2.6
107.05045	1.7
109.02917	3.6
109.06607	17.2
110.03764	2.4
111.04551	12.0
115.66773	1.5
123.08200	3.1
125.09722	7.7
127.11276	1.6
135.08159	3.5
161.09727	2.9
163.11293	14.8
165.12848	2.1
171.10278	31.1
172.10393	1.2
175.11313	1.7
179.10767	1.7
181.12393	3.8
183.25432	1.4
185.11816	10.7
189.09306	2.2
201.11336	3.6
207.10284	45.4
208.10637	2.1
209.11838	100.0
210.12161	4.9
213.09233	1.6
217.12315	3.3
219.10141	2.0
221.11838	2.0
223.13390	5.5
225.11345	21.7
227.12796	10.6
231.10249	3.8
233.11958	1.8
235.13571	3.1
237.11450	2.6
245.11974	4.0
247.13463	4.6
249.11406	3.1
251.12886	2.1
263.12845	7.3
265.14465	1.8
281.14081	6.7
293.14203	1.7
299.14990	7.0
305.13889	1.8
311.14865	1.4
319.15375	3.2
323.15115	2.1
337.16632	4.7
355.17841	2.6
355.22992	1.5
373.23877	3.8
399.21640	6.9
417.22778	2.5
435.23996	2.1
447.23917	2.5
465.24835	5.7
473.25433	16.0
474.25635	2.3
491.26593	21.3
492.26813	2.8
509.27609	55.7
510.27924	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	509.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
65.42020	1.0
69.01965	9.3
69.02367	2.4
78.95905	22.0
92.25492	1.2
96.96966	1.6
102.43659	1.1
152.99606	33.1
171.00699	2.1
227.03375	3.9
281.24896	100.0
282.25253	7.3
509.28839	33.3
510.29065	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	510.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91758	2.8
59.01376	7.9
61.98837	84.3
69.31380	21.8
85.55109	2.7
86.61094	2.9
89.38935	2.7
120.76031	2.9
214.83554	3.3
227.03529	29.6
255.03009	47.2
255.98178	3.5
256.03644	4.9
284.03265	60.8
285.03922	21.0
357.55798	3.2
447.09351	100.0
448.09674	10.5
509.29492	10.5
510.30304	7.4
519.73737	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	510.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20283	0.5
57.79660	0.4
59.01384	1.1
61.98833	100.0
69.19281	2.2
69.19706	2.1
71.01378	1.2
73.77343	0.4
82.27110	0.5
83.76509	0.4
97.79672	0.5
99.05332	0.5
101.02451	0.6
107.79044	0.5
155.61194	0.5
357.22382	0.5
416.36984	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24446	1.3
59.01381	6.8
61.98814	1.4
69.23761	7.1
69.24170	2.9
71.01365	3.4
72.00920	8.3
79.63570	1.1
79.77311	1.1
85.02927	1.4
93.03472	5.2
100.00416	53.2
101.02451	1.8
101.69292	1.2
104.84174	1.1
106.08051	1.2
116.05076	9.8
117.03487	9.5
119.05035	91.2
120.05367	3.2
130.06642	9.6
142.06635	51.9
145.02965	61.4
146.03329	2.0
146.06088	4.5
147.04544	3.9
157.07729	13.3
159.09299	7.8
162.05577	1.6
174.05592	3.4
176.07140	2.8
181.07770	1.9
185.07257	3.3
186.05626	30.9
199.08846	1.8
203.08211	2.9
220.06129	1.5
229.06190	93.9
230.06471	3.8
277.13486	2.0
305.13016	7.1
345.85010	1.2
349.11948	100.0
350.12320	8.9
350.84601	1.2
378.43896	1.3
482.19272	1.7
511.17212	73.3
511.29755	2.7
512.17682	8.7
535.78259	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	6.3
61.98822	1.2
67.12373	1.0
71.01386	4.2
72.00918	4.2
76.71964	1.0
79.64130	1.1
79.78175	1.0
82.02995	1.5
85.02959	1.8
89.02444	1.8
93.03461	14.9
95.01385	1.3
100.00416	17.1
101.02459	4.1
113.02460	2.6
116.05079	11.6
117.03497	5.3
119.05040	81.6
120.05368	2.6
128.05063	3.5
129.05814	1.4
130.06638	15.7
131.03914	1.2
132.05849	1.6
133.02972	1.6
133.06651	1.5
137.23489	1.3
142.06635	22.0
145.02966	40.5
146.03438	1.8
146.06117	10.3
147.04579	6.7
148.07701	2.6
154.06648	2.6
156.06937	1.8
157.07716	50.4
158.08002	1.3
159.09271	11.8
161.02545	1.6
161.04803	1.9
162.05609	7.1
174.05617	12.0
176.07187	9.1
181.07771	4.8
185.07272	2.0
186.05618	13.5
199.08813	6.8
211.08884	3.2
220.06142	2.3
229.06186	95.5
230.06566	4.7
262.12387	2.7
277.13474	6.6
287.11893	1.5
305.12964	48.7
306.13257	3.2
327.08273	1.2
349.11966	100.0
350.12201	9.4
375.22232	1.2
472.27637	1.3
511.17111	4.9
511.29953	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	511.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98304	4.8
59.01384	47.4
61.98830	9.8
70.25340	9.1
70.25690	11.8
71.01395	23.6
71.92763	4.8
72.00900	6.2
73.02968	6.1
78.38781	3.9
82.03030	4.0
85.02963	9.2
87.00870	4.0
89.02454	5.0
93.03478	20.6
99.00928	4.4
100.00414	20.4
101.02457	16.2
113.02444	11.6
116.05069	15.4
116.72114	4.2
117.03487	7.2
119.05043	100.0
120.05316	4.6
130.06616	15.1
137.09795	4.7
142.05565	4.4
142.06631	21.7
145.02969	55.1
146.06178	8.6
147.04520	7.2
148.04080	9.9
149.04836	6.0
150.05614	10.6
157.07724	55.9
159.09320	10.4
161.04716	9.7
162.05664	9.7
163.04073	9.2
174.04285	5.7
174.05614	13.1
176.07196	6.5
181.07748	7.6
186.05634	17.9
190.07500	25.5
191.05809	5.1
199.08893	5.2
201.12878	7.9
202.07436	8.2
204.11702	5.0
217.06244	5.4
219.13892	11.6
220.06145	4.7
227.03568	5.4
229.06223	95.4
230.06577	4.9
231.07713	6.7
232.08453	18.1
242.08189	4.5
244.09698	4.6
245.09494	6.7
245.11908	10.2
253.04695	6.8
255.02992	6.2
263.12924	36.6
274.09601	5.7
277.13455	10.9
284.03226	15.9
285.04010	14.8
295.54178	5.2
305.13025	50.2
307.02258	7.3
328.10736	6.2
349.11993	86.7
349.16077	8.9
349.22137	4.8
429.08365	13.6
440.18097	11.6
452.18259	6.2
462.59586	4.7
470.19293	16.0
494.19528	7.5
511.16785	9.2
511.28436	18.3
512.20361	25.7
521.30786	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	511.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
57.03451	4.8
59.01384	3.7
61.98820	0.8
62.00077	0.6
69.03461	6.5
71.01366	2.4
71.05026	4.3
75.47566	0.7
81.03461	1.1
83.05015	1.9
91.05517	0.6
91.20438	0.6
93.03464	1.2
95.05028	6.6
97.06599	13.0
99.00896	0.6
99.04522	1.0
109.03002	0.7
109.06604	1.5
111.04564	0.7
114.94849	0.6
123.08176	15.8
125.06097	0.8
125.09735	5.7
126.82477	0.6
133.06598	4.7
135.84645	0.6
149.09685	0.7
151.07661	13.9
151.11287	2.5
153.12872	1.7
161.09686	3.4
169.08717	33.7
170.09019	1.2
179.10800	8.3
185.11824	0.9
195.06670	2.1
197.11841	48.0
198.12207	2.1
211.13454	3.1
212.13640	0.7
213.07657	5.3
223.09743	1.4
241.10840	7.5
242.11130	0.6
269.10358	1.0
282.62515	0.8
287.11484	5.3
293.17557	1.1
297.13519	1.2
315.14517	9.2
343.24979	1.4
367.20886	0.9
467.22894	4.6
468.00253	0.7
493.20782	0.7
511.21860	100.0
512.22150	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	511.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.2
58.00579	1.0
59.01384	100.0
60.01720	0.9
61.72346	0.8
61.98845	4.6
69.03440	1.3
69.28247	6.1
71.01388	32.2
72.01700	0.9
72.99298	2.4
73.02571	1.3
73.02953	16.1
81.92622	0.8
83.01398	6.9
84.56834	0.8
85.02953	11.2
87.00880	3.0
89.02454	16.3
93.03461	1.7
95.01391	3.5
96.39036	0.8
97.02955	1.6
97.06611	0.8
98.21716	0.8
99.00905	2.8
101.02455	25.0
101.79266	0.8
103.41978	0.7
109.06599	1.5
111.04520	0.8
113.02451	17.4
119.03492	6.9
119.05083	1.2
122.03739	3.3
123.04517	0.8
124.01727	0.9
125.02489	1.4
125.06029	0.8
131.03511	1.9
135.04550	1.2
135.08133	0.8
136.05305	5.1
137.06070	5.3
137.09740	2.2
138.06845	1.6
143.03511	2.5
149.04582	2.8
149.06088	0.7
150.06853	2.3
151.07611	1.6
161.02477	1.1
161.04544	6.6
163.11255	2.9
168.07936	16.0
179.05605	2.8
189.09221	2.8
191.05594	1.3
201.12991	0.8
203.10768	2.6
204.11523	1.6
215.14348	1.2
253.08705	1.4
259.17010	5.0
277.18137	4.3
289.14722	1.0
289.18030	2.3
294.43149	0.9
301.16595	0.9
349.19885	1.7
350.14651	0.8
403.21100	5.3
421.22302	27.9
422.22534	3.3
422.28189	0.8
423.51096	0.8
439.14096	1.6
439.23370	15.2
440.23856	1.3
451.23398	25.6
452.23776	2.2
469.24286	7.5
481.24420	17.4
511.25049	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	512.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31590	6.1
57.03439	18.2
59.01379	100.0
61.98826	38.0
71.01391	59.1
73.02962	10.1
83.01390	9.1
85.02947	35.4
89.02453	25.2
95.01411	11.0
99.00890	6.6
101.02445	37.0
101.11253	6.9
113.02453	79.7
133.02956	65.0
134.03751	28.9
135.04512	14.7
135.08186	14.9
137.02414	12.5
145.03004	9.8
159.97968	7.4
161.02531	11.4
161.04590	19.0
173.08243	21.3
177.01941	42.5
178.02711	29.8
191.03497	21.1
191.05292	7.2
215.74646	6.7
219.02872	13.2
220.03758	60.5
231.10350	9.5
250.04784	50.5
254.09703	7.9
267.11099	6.9
275.06671	7.8
275.09201	35.1
280.05905	15.5
307.11954	14.2
317.10352	23.0
347.11441	18.1
349.12750	9.1
377.12543	10.8
391.02631	6.5
403.70306	6.7
495.29639	7.6
512.20190	8.5
512.26886	11.0
513.31335	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03700	0.1
55.01883	0.3
57.03431	0.2
58.00600	0.3
59.01380	6.1
60.50568	0.1
69.03453	0.1
69.84661	0.3
71.01384	4.8
72.99312	0.3
73.02946	0.9
83.01384	0.7
85.02949	1.3
87.00881	0.8
89.02454	3.8
95.01399	0.3
97.02952	0.3
99.00887	0.4
101.02445	4.8
113.02448	2.2
119.03525	1.0
125.02426	0.1
127.07666	0.3
131.03453	0.1
133.05063	0.4
143.03505	0.3
149.04538	0.2
161.04575	1.9
179.05620	0.7
222.30530	0.1
233.22740	0.4
235.08191	1.0
253.09293	16.0
254.09688	0.5
259.20673	0.4
275.20215	0.3
277.21729	100.0
278.22067	7.4
278.25195	0.2
303.47433	0.1
312.74097	0.1
435.46353	0.1
478.99237	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86255	0.3
55.01869	0.3
56.83398	0.3
58.00606	0.5
59.01385	6.4
69.32049	0.7
69.32450	2.0
71.01385	5.2
72.99303	0.3
73.02955	0.8
80.49055	0.3
83.01394	0.7
85.02966	1.9
87.00880	0.6
87.30887	0.3
89.02450	4.1
90.36297	0.3
91.03999	0.3
101.02457	5.3
113.02447	2.6
119.03498	1.0
123.19673	0.3
124.43765	0.3
143.03517	0.3
159.36301	0.3
161.04578	2.0
179.05617	1.1
235.08221	1.4
253.09299	16.8
253.21701	0.4
254.09685	0.6
275.20078	0.4
277.21738	100.0
278.22107	6.3
337.99127	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3072
Annotation	Daechuine S7
Peak:m/z	Relative Intensity
57.03452	28.3
59.01383	10.3
59.18888	0.5
61.98829	1.3
69.03468	3.2
69.27474	0.6
70.58610	1.3
71.01367	1.9
71.05019	0.8
72.95164	0.5
73.02909	1.1
79.51202	0.5
85.02943	4.1
87.04521	9.6
88.53764	0.5
89.02467	2.8
93.03481	0.6
95.05032	0.7
96.93645	0.5
97.06606	1.0
99.04530	1.2
101.02448	1.6
109.06599	1.6
112.73533	0.6
113.02491	1.0
113.06091	3.9
120.05811	2.9
121.06565	1.1
122.95290	0.5
123.04531	0.8
123.08173	1.2
125.06101	1.0
127.07639	1.6
135.08180	13.6
137.06076	1.5
137.09695	2.9
139.07657	1.5
150.05684	0.5
150.06895	3.0
151.07619	0.8
153.09215	3.4
155.07133	2.5
163.07655	0.6
164.08440	0.8
171.10298	0.9
173.08194	100.0
174.08540	2.2
179.10767	1.6
185.08195	2.4
203.09274	7.3
229.09276	0.5
293.21240	0.8
309.20715	1.3
321.20779	2.0
333.20511	0.7
339.21793	11.2
340.22131	0.8
350.21185	0.7
351.21704	3.1
359.20761	0.7
477.28625	1.9
495.29532	4.9
513.30798	98.8
514.31195	9.5
522.26178	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	21.9
58.08390	0.5
59.01386	11.5
61.98827	3.1
67.00121	0.5
69.03440	2.5
71.01382	3.2
71.29447	1.0
73.02940	2.0
81.03481	1.3
83.05051	1.0
85.02959	4.8
87.00907	0.9
87.04519	7.7
89.02429	3.4
95.01389	0.8
95.05022	1.3
97.06586	1.5
99.04544	1.1
101.02442	3.5
107.05065	0.8
109.06606	0.7
111.04538	0.9
111.08134	1.1
113.02457	2.5
113.06103	3.0
114.02811	0.6
119.03543	0.7
120.05803	2.5
121.06583	0.5
123.04529	1.0
123.08176	3.3
125.06097	1.2
125.09717	1.2
127.07722	0.6
133.06644	0.9
135.04404	0.6
135.08170	11.1
136.05286	0.7
137.06071	1.7
137.09734	2.0
139.07646	0.9
147.04709	0.6
151.07700	3.3
153.09236	2.7
155.07141	2.2
159.04401	0.6
173.08197	77.5
174.08549	2.2
185.08197	1.5
191.05591	0.8
203.09258	5.2
265.14511	0.9
291.19553	0.7
293.21298	1.2
309.20505	0.7
321.20862	1.8
333.20712	0.7
339.21759	5.9
343.21307	1.3
374.65042	0.5
387.24036	0.5
388.98837	0.7
431.28009	0.7
449.29565	0.7
459.27512	0.6
469.31680	0.7
471.26144	0.7
477.28708	2.0
482.42438	0.6
495.29755	8.7
513.30786	100.0
514.31171	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	514.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	94.0
61.98840	100.0
71.01394	71.2
71.30260	10.4
72.99273	9.9
73.02953	15.4
85.02957	21.0
89.02446	62.0
93.03436	10.7
95.45243	9.5
101.02441	32.5
112.98544	12.0
113.02429	19.0
119.03490	34.4
137.52663	9.7
191.05611	33.1
207.10275	35.4
215.07452	10.3
471.22195	52.0
514.27960	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46377	0.1
54.78189	0.1
55.44022	0.1
57.21149	0.1
58.80506	0.1
59.01390	0.5
61.98837	100.0
62.98514	0.2
69.12830	1.0
69.13242	0.4
80.64801	0.2
110.69839	0.1
210.28427	0.2
291.97485	0.2
296.39304	0.2
315.22940	0.2
396.95850	0.2
454.33850	0.4
514.32446	0.2
519.76898	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22387	0.8
56.30530	0.9
57.65836	1.0
59.01371	3.0
61.98817	2.7
66.46590	0.9
67.01904	1.7
71.01378	2.3
71.30864	1.1
85.02956	10.7
87.00882	3.9
89.02449	1.1
93.03468	10.0
96.96018	1.0
99.00849	0.9
101.02402	1.6
106.45618	0.9
109.02955	2.3
111.04507	2.1
117.03451	1.3
127.04000	2.5
132.02188	2.2
133.02980	7.1
135.04549	12.4
155.03499	0.9
160.01628	3.4
161.02463	44.9
162.02785	1.6
162.39317	0.8
173.04561	3.7
177.05551	1.2
179.03502	6.2
191.05626	100.0
192.05980	2.8
199.28900	1.0
202.80031	0.9
310.40973	1.2
311.07617	1.2
323.07742	42.0
324.08063	2.0
341.08902	2.7
353.08780	5.1
515.07080	1.7
515.14130	19.3
516.14026	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98513	1.2
55.44350	1.2
59.01378	20.5
69.59885	1.1
69.65559	7.2
69.65855	2.3
71.01378	3.2
72.99312	21.0
73.02940	2.3
83.05025	4.1
85.06592	2.4
89.02486	3.1
92.00275	1.1
93.03476	8.2
93.03963	1.1
96.97008	1.2
99.04525	3.5
111.04525	26.7
113.02465	1.7
114.03835	1.3
127.41759	1.2
129.05595	33.9
135.04539	2.3
137.02457	3.3
155.03514	59.3
156.03906	1.9
161.28282	1.4
173.04558	100.0
174.04893	2.3
179.03476	2.5
323.32455	1.3
341.10922	9.9
373.88031	1.1
379.12366	1.3
383.30994	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	515.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95342	1.4
59.01392	14.3
60.84998	1.4
62.61296	1.6
71.01392	1.9
71.28489	2.2
72.99313	26.2
78.95897	1.7
83.05033	3.5
85.06598	3.1
85.66660	1.5
96.96021	4.6
96.96968	4.2
99.04518	4.9
101.02499	2.8
111.04517	29.0
118.61758	1.7
119.03503	1.9
122.55781	1.6
124.91183	1.4
126.27973	1.4
129.05592	26.3
130.05905	1.5
135.04550	3.1
155.03516	87.5
156.03812	1.8
173.04567	100.0
174.04904	1.7
179.03542	2.4
191.05743	2.3
195.02837	3.1
228.15862	1.6
320.20456	1.5
379.00449	1.6
419.34436	1.6
419.40753	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	515.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55798	6.3
59.01380	100.0
61.98832	75.0
66.49118	6.8
70.25185	18.3
70.25555	13.0
71.01397	41.1
73.02969	9.2
76.08957	5.7
80.73212	5.8
82.72513	6.8
85.02952	18.4
89.02445	14.4
93.03493	7.7
96.96017	16.2
97.02975	8.3
101.02460	21.5
102.80028	6.8
104.60898	6.0
109.06587	33.3
110.02486	7.9
113.02460	30.8
119.03532	10.0
135.04539	8.1
157.62732	7.8
160.95708	39.7
163.11305	19.2
164.87244	7.0
191.05630	11.9
207.10278	95.0
218.41188	6.3
223.10898	50.2
225.11287	53.7
253.09329	59.6
315.18225	9.6
443.19394	11.7
461.20395	88.6
462.20593	9.2
497.17792	8.8
516.28113	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	515.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.3
58.37921	1.3
59.01384	11.8
61.98815	5.1
69.05600	9.9
69.06006	4.3
71.01371	5.1
71.04996	2.4
71.96216	1.3
85.02951	2.6
87.00916	2.2
89.02451	2.5
93.03465	3.4
95.05040	2.8
97.02946	4.3
97.06588	12.6
99.00888	76.8
99.39685	1.4
101.02421	2.5
113.02498	2.2
117.07112	2.7
123.04497	2.3
123.08145	2.0
125.09727	4.9
135.08202	8.8
142.02725	2.0
145.02972	3.3
153.09238	22.5
163.11253	4.4
171.10217	2.8
171.51860	1.4
179.07120	2.9
181.12317	10.3
191.05608	8.5
197.08205	19.0
197.11987	1.5
199.13318	4.7
207.10272	28.0
209.11752	1.6
214.06480	2.1
215.07089	3.7
215.09207	29.5
216.09526	1.6
217.15829	2.7
219.06680	2.0
225.09172	2.6
225.11311	42.4
226.02562	2.1
226.11700	1.9
232.92041	1.4
243.12369	35.3
244.12627	1.7
253.09174	3.4
261.15002	4.9
261.86691	1.4
269.62488	1.4
279.16031	3.6
289.12924	13.0
298.08426	6.1
317.16055	20.7
334.83450	1.5
395.14563	2.1
497.23535	4.4
515.24847	100.0
516.24969	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	515.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82351	5.3
51.52663	3.9
61.34869	5.9
83.01405	12.6
98.21774	10.4
104.06319	5.3
126.01992	9.8
145.02937	7.0
157.05092	8.1
200.05630	8.1
255.23314	100.0
370.79562	6.2
456.29684	41.5
484.66666	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	516.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59105	1.5
58.02980	13.6
61.39647	1.5
61.98834	100.0
63.99250	7.6
66.03480	1.9
66.56946	1.3
69.09035	11.7
69.09438	4.1
74.02477	26.5
78.24587	1.3
81.04548	2.4
82.02985	5.1
84.04529	1.7
86.02496	11.6
87.05639	4.1
90.81854	1.5
97.04081	4.4
98.22526	3.4
99.05643	23.9
101.07220	6.3
102.05614	5.4
105.30202	1.4
107.06195	2.3
109.04079	6.7
111.05671	3.3
112.04051	3.8
125.03552	4.9
127.05132	5.1
128.03549	69.9
132.56352	1.6
135.05634	5.8
135.11798	2.0
141.06670	1.9
143.04634	87.2
144.05077	1.9
145.06171	3.3
146.04596	9.1
150.05821	1.5
153.06702	7.6
166.09781	3.6
167.04672	4.8
167.08232	5.9
170.03285	3.8
179.04639	23.5
181.06168	1.9
192.07802	2.3
193.05978	1.5
197.05658	4.3
209.11703	1.8
210.08850	25.1
228.09824	2.1
243.10603	2.4
254.07816	54.0
272.08896	63.9
273.09238	3.4
319.12006	1.8
386.07159	2.7
387.15933	15.0
484.10696	2.5
498.19186	12.2
516.20251	78.1
517.20526	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	517.0043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	70.2
60.88414	0.4
61.98833	2.2
66.30616	0.5
69.39784	3.2
73.73633	0.5
87.35129	0.4
88.93060	0.5
89.14780	0.6
90.97153	1.3
98.22544	0.5
121.39194	0.5
127.33727	0.5
132.98248	2.7
157.03601	1.3
159.01503	0.6
169.97202	0.5
174.99265	30.1
201.02577	11.1
202.02747	1.2
217.00311	100.0
218.00705	2.2
218.98340	0.7
231.01936	0.6
242.64322	0.5
251.09512	0.5
292.96057	0.6
343.03659	0.8
343.30286	0.5
359.01501	11.0
360.01642	1.0
374.99225	50.2
375.99536	1.9
529.85400	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09381	0.5
59.01385	100.0
60.01733	0.7
61.98840	9.9
65.72514	0.5
71.01391	5.4
71.30553	0.7
73.02964	2.3
83.01392	0.9
83.05054	0.6
85.02975	1.5
88.93546	0.5
89.02496	1.6
95.01406	0.8
96.96014	0.6
99.00903	0.8
101.02447	4.2
111.00940	1.1
113.02456	3.0
115.92139	2.0
116.92892	1.1
119.03554	1.2
119.05105	0.5
124.06515	0.5
131.03537	0.5
133.03021	0.6
135.04512	0.4
137.30530	0.5
161.04689	1.4
165.02342	0.5
253.09492	0.6
286.65997	0.5
299.37238	0.5
336.93100	0.5
517.17792	1.1
517.30286	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	518.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00582	0.9
59.01385	12.2
62.11625	0.8
70.94948	0.9
71.01386	14.7
73.02947	2.6
76.91552	0.9
83.01366	1.4
85.02955	4.0
87.00879	2.4
89.02453	6.1
95.01415	1.2
101.02442	8.8
106.06636	100.0
107.06973	3.1
108.08219	1.5
113.02449	8.3
119.03503	2.3
131.03523	2.8
150.05623	88.7
151.05907	2.7
156.93935	0.9
161.04570	4.9
164.07185	6.9
179.05652	2.2
192.06686	9.5
194.04582	16.3
221.06660	3.6
236.05557	2.9
242.81110	1.0
252.08865	2.4
290.68515	1.0
296.07739	5.3
312.10883	1.9
338.08783	2.0
354.11917	10.1
356.09900	6.7
398.10916	10.7
500.14243	3.7
518.15149	31.7
518.22882	2.0
519.15381	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	518.152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.9
61.98836	100.0
71.01376	0.4
72.64260	0.3
77.83031	0.4
98.22549	0.7
105.38126	0.4
131.50380	0.4
187.04088	0.4
238.29814	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.6
60.02107	0.4
61.63614	0.4
64.12061	0.3
69.23567	2.9
71.01390	1.8
76.91976	0.4
85.02951	0.8
89.02457	1.3
92.05078	1.2
94.06657	0.5
95.01396	0.5
101.02473	1.0
102.02862	0.4
106.06615	2.0
110.06129	0.6
113.02459	1.8
119.03488	0.4
120.04563	5.4
121.05351	0.5
122.06136	6.3
143.03468	0.4
149.23660	0.3
150.05611	100.0
151.05972	3.2
161.04581	0.7
179.05577	0.5
194.04582	74.0
195.04901	2.5
206.04558	0.4
208.06146	5.6
236.05638	5.8
266.06668	1.6
291.65036	0.4
294.31696	0.4
296.07681	2.6
324.06192	0.4
346.06842	0.4
350.76212	0.4
356.09946	3.8
370.11472	0.4
398.10931	16.2
399.11273	1.0
425.89212	0.4
500.13803	1.6
518.15137	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	518.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30826	0.8
57.03448	2.3
59.01384	46.3
61.98834	100.0
69.33425	5.9
71.01386	7.3
73.02962	2.1
85.02971	1.5
89.02451	1.5
95.05125	0.7
99.00895	0.7
101.02480	2.5
113.02452	1.7
115.42688	0.7
119.03648	0.7
135.30099	0.7
137.09645	0.9
145.03072	1.1
150.05594	0.9
161.04590	1.5
166.87541	0.7
192.11649	1.4
203.05630	4.5
207.13904	14.8
208.14368	0.9
257.08282	1.3
331.02280	0.7
469.12378	0.8
519.19537	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	518.188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67974	1.0
59.01382	41.2
60.38270	1.1
61.98834	100.0
66.65406	1.2
69.44881	4.4
69.45301	3.3
71.01394	8.3
73.02947	9.9
74.13897	1.2
83.01373	2.6
83.87645	1.0
85.02938	1.9
85.82199	1.1
89.02448	2.7
97.88114	1.0
98.22502	1.5
101.02433	11.4
101.02946	1.1
113.02457	7.1
119.03494	2.6
143.03532	2.3
149.04546	2.2
161.03412	1.2
161.04576	5.2
210.72966	1.2
356.04837	1.4
380.45706	1.4
448.80573	1.2
452.55496	1.2
518.00684	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	518.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25601	1.2
57.03447	1.9
59.01091	1.4
59.01384	28.8
61.98830	6.3
69.47896	1.9
69.48298	5.4
71.01384	18.2
72.99298	1.8
73.02944	4.7
83.01387	1.8
85.02956	10.4
87.00880	2.6
89.02450	6.3
93.03468	4.1
95.01396	3.2
97.02971	1.2
97.06593	1.0
99.00861	2.5
101.02455	9.8
113.02465	14.2
117.03481	20.9
119.03559	3.0
119.05035	59.5
121.02968	2.1
131.04994	1.8
132.05853	1.4
133.02972	2.7
133.06564	7.1
135.04570	1.1
143.03535	1.3
145.02969	80.6
146.03265	1.8
147.04515	2.6
149.06082	2.4
159.04520	2.8
161.04704	1.7
161.06088	16.9
163.04022	65.0
163.79199	1.0
164.04413	2.3
169.08746	1.5
177.05579	9.3
187.04036	8.6
191.07199	1.5
194.11914	2.3
205.05052	14.1
210.11397	1.3
213.09300	1.5
215.07175	1.9
223.13484	2.3
235.06123	2.3
253.09332	3.4
257.08243	2.5
265.07236	2.0
270.08759	1.0
281.17505	1.5
282.13635	1.3
282.17987	1.9
312.14688	2.3
315.25333	2.6
354.15601	3.1
357.26517	1.4
372.16656	74.2
373.12433	1.1
373.16821	5.3
422.12308	1.1
459.29572	4.0
474.21765	2.2
477.30893	1.6
518.20361	100.0
518.30103	3.4
519.20734	10.7
519.31775	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	518.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	1.8
59.01385	15.2
61.98825	3.6
70.77061	1.1
71.01391	17.0
73.02950	4.1
83.01391	2.0
85.02955	9.5
87.00877	1.1
89.02451	6.8
95.01427	2.3
98.21818	2.9
99.00883	1.4
101.02441	8.9
113.02460	13.4
117.03484	25.0
119.03617	2.7
119.05044	63.5
120.05348	2.0
121.02998	3.0
131.05023	2.4
132.05827	1.9
133.02988	2.1
133.06602	10.0
143.03546	1.2
145.02968	90.0
146.03302	4.0
147.04546	3.8
149.06065	1.5
154.07443	1.4
159.04462	2.8
161.06091	18.8
163.04033	57.1
164.04401	1.8
177.05588	11.7
187.04056	8.7
194.11964	2.5
205.05040	18.9
215.07146	1.3
235.06163	2.6
252.12354	1.3
265.07321	1.2
302.79782	1.3
352.24869	1.2
354.15646	3.5
357.26709	1.8
372.16675	94.3
373.17029	7.4
474.21103	2.3
516.52240	1.3
518.20367	100.0
519.20630	9.7
519.31689	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	519.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56239	1.6
57.03443	2.7
59.01383	21.1
61.98839	7.9
63.10653	1.3
69.11635	15.2
71.01382	13.2
73.02973	2.2
80.91688	6.5
81.03449	3.1
82.95429	2.4
83.01402	1.8
83.05029	1.8
85.02948	3.1
89.02457	10.4
90.25507	1.7
93.03468	1.7
95.05046	6.5
96.96011	3.9
97.02969	22.9
97.06591	15.3
101.02448	15.6
104.04611	1.5
113.02471	7.9
119.03526	3.3
119.05025	4.1
121.06644	3.3
135.08133	2.1
145.02951	2.7
146.27861	1.4
151.11255	2.6
159.08249	2.2
161.04546	3.9
163.04042	2.6
177.09236	6.4
195.10274	100.0
196.10475	2.7
227.87009	1.7
238.78624	1.7
239.09270	6.2
253.09285	13.8
305.15973	2.3
327.08817	3.2
327.12567	3.2
376.22498	1.8
459.17523	2.2
475.18234	68.3
476.18793	5.3
519.17230	30.8
520.17279	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	519.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03231	3.6
59.01383	72.1
61.98839	100.0
62.17860	3.6
63.43960	3.3
71.01386	36.2
71.28815	4.3
73.02963	27.8
74.92708	4.2
78.69811	3.2
78.95097	4.0
79.63306	4.1
83.01376	7.6
85.02957	6.6
87.00900	6.4
88.98833	5.0
89.02454	12.3
101.02451	29.9
106.75741	4.1
113.02477	19.0
119.03503	5.4
119.05003	8.8
125.02434	4.2
136.01688	4.3
143.03522	5.1
145.02965	11.9
147.45676	3.3
150.38477	4.1
151.03976	5.6
161.04625	7.0
163.04010	6.1
166.01215	3.7
166.05141	8.3
187.03944	3.8
357.13669	4.7
385.12439	5.7
519.24487	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	519.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25137	4.6
59.01086	6.7
59.01382	100.0
59.23163	4.7
61.98830	37.8
68.97065	4.5
71.01386	34.5
71.28442	4.5
73.02952	41.0
82.28683	4.0
83.01388	12.5
85.02962	12.3
85.68851	4.0
85.69456	3.9
87.00885	4.2
88.81561	4.4
88.98806	5.7
89.02444	15.7
93.03508	9.1
101.02458	50.3
113.02456	22.4
117.03498	8.0
119.03557	6.0
119.05045	18.4
133.02940	9.6
143.03543	4.9
145.03035	28.5
149.04576	5.5
161.04581	16.3
163.03909	10.8
194.94167	4.3
223.07764	6.0
237.09126	7.6
327.08759	16.2
357.10049	5.6
373.16147	12.7
505.65381	5.5
519.20117	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	519.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23611	0.6
59.01386	48.5
61.98825	1.8
71.01372	1.8
71.09407	1.5
73.02957	0.6
74.55335	0.6
89.02477	1.8
101.02480	1.4
108.83895	0.6
110.02453	0.6
113.02501	1.5
121.03059	0.8
131.07156	100.0
132.07495	1.7
137.02452	0.8
150.05632	3.2
151.06010	1.8
179.05711	1.0
180.40417	0.7
184.78192	0.6
194.04596	1.5
195.05045	1.4
327.08929	0.8
399.11661	0.8
404.14279	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53152	0.6
57.03450	0.9
59.01384	100.0
60.01717	1.0
61.98836	35.6
62.43729	0.7
71.01391	5.6
73.02960	2.2
83.01408	1.3
85.02978	2.1
89.02477	2.4
101.02457	3.9
113.02464	6.1
131.08281	1.2
133.02936	0.8
161.02483	1.0
161.04607	1.8
175.02705	0.7
187.07751	1.3
191.05710	1.4
208.14203	1.3
211.07652	1.0
257.08371	2.6
281.49979	0.9
399.23883	9.7
417.25238	3.2
459.25989	1.4
491.19113	0.9
519.19452	1.5
519.33270	8.9
520.33752	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	519.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92780	0.8
51.88169	0.8
53.51352	0.9
55.36744	0.8
59.01384	100.0
61.98838	12.1
71.01387	12.8
72.99300	1.0
73.02943	3.8
83.01420	1.9
85.02953	5.4
86.02296	0.9
87.00888	2.4
88.38570	0.8
89.02451	4.7
93.03475	1.4
95.01416	1.2
99.00878	1.4
99.04583	1.0
101.02451	8.0
113.02444	4.7
116.92907	1.0
119.03533	1.6
119.05104	1.2
121.76994	0.8
122.67075	0.9
125.02525	0.9
129.20967	0.8
133.03012	1.8
143.03534	1.3
145.02933	1.5
161.02466	1.5
161.04601	3.1
174.03358	1.1
175.02539	1.1
187.07564	1.3
191.04192	0.8
191.05647	5.3
193.05026	1.0
199.07654	0.8
209.04686	0.8
210.45110	1.1
213.09236	1.9
215.07127	2.5
227.03595	0.9
229.30724	1.0
255.06476	1.9
257.08087	6.4
374.09970	0.9
399.23886	18.0
400.24249	1.2
417.24985	11.5
422.12219	1.4
459.26385	2.1
519.18610	3.2
519.32098	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	519.318
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
55.01874	0.4
56.30437	0.4
57.03465	0.4
58.00604	0.6
59.01089	0.7
59.01387	14.6
60.53809	0.4
61.98820	1.4
65.61193	0.5
65.79616	0.4
71.01028	0.7
71.01390	9.9
71.29661	0.8
72.74051	0.5
72.99294	0.5
73.02940	2.4
73.63888	0.4
83.01389	1.5
85.02960	3.8
87.00861	1.1
89.02453	4.1
95.01391	1.0
99.00880	0.6
101.02463	5.1
111.00874	0.6
113.02452	2.9
119.03525	1.1
133.02931	1.6
161.02353	0.6
161.04599	0.5
171.10210	0.7
213.09038	0.5
215.07085	0.7
221.01671	0.4
231.83603	0.5
257.08231	1.8
258.30496	0.4
309.24332	3.0
321.24124	1.0
327.25436	7.9
339.25452	10.2
341.26718	0.5
357.26520	21.5
358.26956	1.3
422.12280	0.7
489.30460	0.9
501.30972	0.8
519.31787	100.0
520.32074	11.7
527.00275	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.5
63.23508	0.7
64.98575	0.7
70.80028	0.9
70.80342	1.4
91.04021	0.9
117.03483	26.2
119.05049	10.4
121.02960	2.4
126.80081	0.6
140.23344	0.7
145.02969	100.0
146.03293	2.8
163.04048	5.4
299.25900	7.1
309.22583	0.7
333.90851	0.7
359.29706	5.9
383.29459	0.8
427.28564	23.6
428.28796	2.4
445.29645	22.3
446.29938	1.9
519.33344	30.8
520.33618	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	519.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96370	1.1
98.21795	3.1
117.03482	28.1
119.05048	12.7
121.02986	2.7
139.61783	1.3
145.02968	100.0
146.03308	3.0
159.13020	1.1
163.04041	4.6
167.17526	1.4
223.01385	1.2
287.04846	1.1
299.25977	7.8
359.29486	6.8
427.28549	25.7
428.29041	2.2
445.29727	23.0
445.35367	1.1
446.30316	2.4
519.33344	44.5
520.33820	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89927	0.8
59.01365	1.6
63.14168	0.9
64.22029	0.9
67.75806	0.9
67.91371	1.0
71.07541	1.5
71.07912	1.7
82.92118	0.9
87.54619	0.9
91.03991	1.2
101.40617	0.8
117.03468	21.0
119.05028	9.9
121.02965	2.5
126.67348	1.0
145.02962	100.0
146.03262	2.1
163.04037	6.9
260.81104	1.0
299.25882	8.5
359.29559	5.5
383.29648	1.1
427.28543	21.0
428.28799	2.6
445.29565	21.5
445.35358	1.6
446.29874	2.6
519.33282	29.7
520.33514	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	520.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89953	0.7
59.01383	6.4
61.98835	6.5
68.99815	0.8
69.53294	0.7
71.00800	1.6
71.01405	5.5
81.69772	0.7
83.01389	1.8
84.04549	1.2
84.35199	0.6
85.02963	3.1
89.02452	1.5
96.00920	4.9
97.02963	1.5
98.02483	61.1
99.00872	3.2
99.02178	0.8
99.02846	0.9
101.02460	2.7
102.05667	1.0
109.06604	1.6
110.02475	4.7
112.04044	1.2
113.02464	1.8
117.03471	20.1
119.03635	0.9
119.05038	23.9
121.02940	1.5
124.00416	1.7
124.04041	0.8
126.01980	41.7
127.00375	1.6
127.02309	1.3
128.03540	0.8
133.02959	1.3
135.04547	1.8
140.03557	4.0
145.02963	47.3
146.03304	1.6
150.01978	0.9
158.03682	1.0
159.04500	2.8
160.04053	1.1
161.04788	2.4
161.06059	1.6
163.04019	20.6
165.00034	0.8
166.05121	1.0
168.03015	1.2
174.01994	0.9
174.05565	1.6
175.05116	1.4
176.05936	1.3
177.06738	3.7
182.04643	1.1
184.06194	4.0
187.04019	23.5
187.07614	1.2
189.06689	3.2
191.05675	1.4
192.06680	1.4
196.06142	1.1
201.05576	0.8
203.04839	0.8
204.47960	0.7
205.05028	1.4
207.10301	2.0
212.05655	100.0
213.05974	3.0
225.11320	2.2
226.07239	1.2
235.06163	0.9
238.07100	1.1
248.05702	1.4
253.09232	1.0
254.06706	2.5
257.08282	1.3
265.07227	2.0
266.06693	1.9
296.08026	1.1
307.08286	3.3
309.09769	1.3
356.09958	1.5
461.20419	1.8
520.19440	2.8
521.20251	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	520.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	22.3
61.98825	3.7
63.23535	2.1
71.01028	3.0
71.01391	38.0
73.02949	2.5
78.95824	2.4
82.95420	2.2
85.02955	11.3
89.02454	16.0
93.03482	4.5
95.01392	3.5
96.04522	2.2
101.02470	8.9
108.07469	2.7
108.08208	40.4
113.02462	16.5
115.00385	17.8
115.98273	1.9
117.03471	21.6
119.03545	6.0
119.05045	35.3
121.02959	3.4
133.02943	2.3
133.06638	4.6
135.04543	3.0
145.02965	100.0
146.03246	4.2
152.07184	46.5
159.04535	4.0
161.04567	4.7
161.06122	9.6
163.04039	29.5
166.08682	3.0
177.05591	7.9
179.05673	2.9
187.04042	7.9
191.05617	2.6
194.08249	3.7
196.06158	18.9
205.05083	15.6
211.07689	3.4
221.06671	2.3
235.06007	3.4
265.07285	2.8
298.09409	6.0
312.11023	2.5
317.67078	2.0
325.09445	3.8
328.09302	3.2
330.11972	43.5
356.13364	2.8
358.11423	6.4
400.12384	13.5
406.61786	2.1
429.05927	2.1
476.15826	10.0
476.21939	2.0
516.83392	2.2
520.15063	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	520.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78019	0.9
58.13717	0.9
59.01386	15.2
61.98830	2.0
62.99398	0.8
66.63000	1.0
69.58080	1.8
69.58468	5.3
71.01392	19.6
73.02942	2.8
83.01427	1.2
85.02969	6.7
87.00883	4.5
89.02452	12.1
97.95887	0.9
99.00911	1.2
101.02441	11.3
108.08205	74.7
109.08541	1.6
113.02454	12.7
115.00412	3.7
117.03501	3.7
118.05230	0.9
119.03533	2.9
119.05048	7.0
131.03546	3.6
143.03549	1.8
145.02962	17.9
152.07187	100.0
153.07568	1.7
153.09253	1.5
159.03040	1.3
161.04599	6.1
161.06024	2.2
163.04008	4.5
165.48515	1.1
166.08781	8.3
179.05641	4.5
187.04115	1.5
191.05603	1.6
194.08226	7.9
196.06168	28.0
205.05063	2.0
220.41534	1.2
221.06618	6.9
225.30203	1.0
230.25758	0.9
238.07310	4.4
254.10294	1.8
263.07755	1.5
298.09256	5.7
330.12076	8.5
340.10437	2.9
356.13589	6.5
358.11404	10.9
359.12708	1.0
400.12518	19.2
401.13379	1.8
476.15988	2.0
502.15256	5.2
520.16711	39.4
521.17078	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	520.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91205	0.9
56.10935	1.2
59.01386	34.1
60.10824	0.9
61.98837	100.0
67.88883	0.9
69.43147	7.1
71.01378	3.9
75.00837	1.0
85.02956	1.9
89.02477	1.4
98.02491	14.5
101.02479	2.9
105.03533	1.1
105.44460	1.1
108.11604	1.0
108.82267	1.0
110.02468	1.1
113.02470	1.8
117.03494	4.6
119.05048	5.6
126.01978	9.7
126.87240	1.0
133.02986	2.6
145.02959	13.7
163.04021	6.4
177.01869	1.9
187.04028	5.7
212.05676	22.3
213.05954	1.6
213.09373	1.0
265.06943	1.0
382.01913	1.0
520.27631	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	521.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15458	1.8
54.51528	1.7
57.92183	2.1
59.01379	6.0
65.71626	2.0
70.42542	1.9
71.01383	2.5
71.29662	2.3
72.74687	2.5
87.00887	100.0
93.03457	10.1
103.92004	2.8
108.70794	2.0
111.04525	12.7
126.98882	2.8
137.02466	6.1
167.94209	2.1
184.97699	2.1
185.20488	2.0
243.05112	7.5
275.84665	2.5
341.01974	9.9
349.46429	2.1
434.20404	2.4
479.14188	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	521.253
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95831	20.7
61.44192	24.5
69.84232	20.7
73.87390	20.9
93.22880	21.6
111.89716	21.5
130.57698	21.2
179.10701	38.4
197.11905	100.0
223.13432	34.1
231.60181	22.8
241.10869	29.5
258.79926	23.5
396.12521	26.9
461.94385	27.0
521.27533	98.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90034	3.2
56.45765	2.9
62.11523	2.7
70.84584	2.8
96.85981	3.5
105.03480	13.2
132.02196	4.4
133.02974	50.9
134.03781	12.7
137.02493	3.9
141.67250	3.3
148.05258	4.1
152.66350	3.5
160.01648	37.2
161.02493	24.1
169.99530	3.2
175.04013	70.3
176.04324	3.4
193.05103	5.6
271.22781	12.7
317.17465	5.0
345.20926	6.3
415.24927	12.5
429.26526	28.0
433.26184	5.0
447.27502	47.1
448.28085	6.0
521.31238	100.0
522.31384	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	521.3123
Annotation	20-Hydroxyecdysone 2-acetate
Peak:m/z	Relative Intensity
50.21578	1.5
54.41883	1.4
57.03464	1.7
59.01396	1.7
73.95841	1.5
75.13000	1.2
81.49422	1.4
83.05054	1.9
87.00869	1.4
93.39298	1.3
97.06586	3.0
99.14790	1.5
105.20696	1.4
111.04585	1.4
111.08173	1.7
113.09742	1.8
123.08157	6.3
137.09726	2.2
149.06084	4.0
150.06877	28.0
152.83342	1.8
155.10800	2.0
162.06871	53.5
163.07658	8.0
164.08389	2.0
176.08389	6.1
177.09213	21.3
179.10846	4.6
180.69942	1.4
222.11182	1.6
261.18756	4.1
293.21307	3.8
334.39813	1.6
343.21265	41.8
344.21576	2.0
428.31836	1.6
442.50519	1.6
503.30139	25.1
504.30637	3.4
521.31305	100.0
522.31586	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	521.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44100	3.5
91.04002	3.2
92.44267	3.5
105.03471	8.3
121.03051	3.3
132.02179	3.9
133.02972	40.5
134.03755	5.3
135.04520	6.8
137.02393	3.4
143.53273	3.8
148.05342	3.7
160.01688	27.4
161.02457	21.0
175.04025	59.2
193.73091	3.2
197.83371	3.2
228.92355	4.5
271.22849	6.7
415.25012	9.7
429.26447	35.9
430.26697	5.0
434.85175	3.3
447.27567	47.7
448.27762	5.0
510.21713	3.3
521.31281	100.0
522.31403	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	521.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28831	0.6
55.01858	0.9
57.03438	0.9
58.00582	1.0
59.01389	14.7
61.98839	6.5
71.01386	11.3
71.35429	0.6
71.35785	0.9
72.99318	1.0
73.02940	2.3
78.95942	0.8
83.01389	1.4
85.02960	4.0
87.00890	1.5
89.02452	3.9
89.03953	0.7
92.92693	0.6
95.01376	0.7
95.05032	1.5
99.00895	1.0
101.02444	8.0
105.03477	6.6
106.55695	0.6
111.00872	0.8
113.02441	3.5
119.03516	2.3
119.05125	0.9
121.03001	0.9
123.04558	0.6
132.02193	3.1
132.66159	0.6
133.02974	47.3
134.03499	2.1
135.04532	2.4
137.02475	1.7
139.04015	0.7
143.03528	0.6
145.02960	0.9
151.03970	0.8
159.04515	1.7
160.01686	5.0
161.02449	4.2
161.04559	0.9
163.03993	0.7
177.01950	11.7
178.02711	2.3
179.03519	2.5
187.04044	1.4
187.07707	0.8
194.02119	0.6
194.69659	0.5
203.03448	1.2
213.09265	0.7
217.08713	0.5
239.26369	0.6
257.08011	0.8
267.16434	0.6
295.22739	1.0
313.23975	2.9
341.26990	12.4
342.27109	1.0
357.26477	0.9
359.28088	27.1
360.28384	3.5
424.13788	40.6
425.13898	4.6
492.76471	0.7
504.05124	0.6
521.33368	100.0
522.33746	11.2
543.24866	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14019	0.5
53.26611	0.5
54.81771	0.5
55.49508	0.5
57.03437	0.8
59.01389	7.2
60.95901	0.5
61.52134	0.6
61.98817	0.6
65.30438	0.6
65.59731	0.5
69.24754	2.9
69.25162	1.0
71.01392	9.1
73.02943	1.4
82.03014	0.7
82.95413	1.7
83.01392	1.1
84.95139	0.8
85.02963	3.5
87.00894	0.8
89.02463	3.7
93.03472	1.2
95.01366	0.7
96.95997	0.7
98.02483	0.9
99.00902	0.7
101.02451	4.8
102.05622	3.0
102.14604	0.5
102.96935	0.5
110.02493	100.0
110.33685	0.5
111.00877	3.3
111.02853	1.6
113.02479	6.0
117.03475	8.1
119.03549	1.2
119.05039	16.4
121.02959	0.8
124.04017	0.6
125.02499	0.8
130.05161	1.1
131.03535	0.9
133.02979	2.3
133.06628	2.8
135.04549	1.8
145.02971	38.7
145.06612	0.8
146.03386	1.3
147.04585	0.9
149.04588	0.8
152.07150	1.2
158.03746	0.6
159.04539	4.4
161.02472	5.9
161.04587	2.4
161.06104	5.5
163.04031	15.6
164.04405	1.0
165.70818	0.6
173.06056	0.7
177.05585	2.4
179.03452	0.7
186.07768	2.6
187.04028	26.3
188.04414	1.4
191.07228	0.7
196.06171	20.7
197.06400	1.1
203.07179	0.6
204.06480	0.6
205.05104	7.7
214.07268	2.6
215.07198	0.7
217.05058	1.6
232.42941	0.5
235.06097	2.4
238.43730	0.6
253.05229	0.6
265.07150	3.3
307.08310	1.6
316.10541	1.2
316.25723	0.6
325.09366	8.7
326.09613	1.0
331.17709	3.6
358.11459	0.9
360.15695	0.8
376.12405	1.4
463.22092	3.2
478.13470	1.3
522.15222	3.3
523.16437	0.9
523.27667	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94833	1.5
55.80452	1.2
59.01389	3.7
59.03608	1.3
61.98824	4.0
62.84670	1.5
71.01391	1.9
71.30460	1.6
72.89202	1.3
85.46483	1.2
87.00892	1.2
89.02426	2.9
113.02464	3.0
119.05037	69.2
120.05356	2.4
121.02959	2.2
129.05562	1.9
145.02910	6.5
163.04030	100.0
164.04384	2.9
175.36549	1.1
175.44910	1.3
177.23625	1.4
191.05708	1.9
205.05049	1.5
226.07858	1.7
235.15184	1.3
325.09308	34.8
326.09717	3.7
361.10504	1.7
431.96759	1.3
482.75128	1.5
523.12329	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	523.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	19.8
60.55247	2.1
66.90251	1.8
69.43915	13.1
71.01372	12.1
73.02938	3.4
85.02958	2.3
89.02467	6.2
96.04545	2.2
101.02457	4.5
111.00918	5.9
112.47468	2.0
113.02464	6.4
119.03521	2.1
119.05051	3.3
131.03598	2.6
132.04567	10.0
133.05385	3.4
145.02892	2.7
158.24002	2.1
165.04359	4.0
165.05621	2.6
171.06917	3.0
175.55074	1.7
186.09253	61.2
187.05138	3.7
187.08690	10.1
195.08194	3.8
197.06075	6.3
212.10796	11.6
213.06633	3.3
213.10440	3.4
214.07565	2.5
229.09828	83.8
230.10277	2.5
255.11426	18.3
273.08823	100.0
274.09167	6.1
287.10251	9.7
299.10379	35.8
301.08246	7.9
313.11765	3.3
315.09811	15.9
341.11438	4.7
343.09131	4.1
361.10168	17.4
362.67044	2.1
435.14056	59.5
436.14404	4.9
438.16800	2.3
461.15756	14.4
463.13510	9.3
463.22348	2.7
523.15326	12.8
523.27679	5.7
545.54517	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	523.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	7.8
61.98827	1.4
69.31116	9.6
71.01381	5.0
80.89194	1.1
85.02947	3.4
87.00886	4.3
89.02484	1.9
101.02457	3.1
111.00897	23.9
113.02453	2.4
119.05003	2.5
121.02974	14.4
122.06129	1.8
122.07119	1.1
132.04533	3.7
133.05383	1.2
134.06149	1.6
145.02957	4.1
160.28667	1.4
161.06059	1.2
163.03989	2.2
171.06909	2.8
172.27737	1.2
173.00934	2.6
178.16397	1.1
181.93752	1.1
186.09258	74.4
187.05084	3.5
187.08823	4.3
191.05626	3.7
201.94156	1.2
202.08780	2.7
212.10864	12.4
213.06703	3.4
213.10263	1.8
214.07358	1.9
219.81749	1.6
229.09831	100.0
230.10226	6.4
239.08246	2.2
241.09871	1.7
255.11436	20.5
257.09351	1.5
269.09241	2.4
273.08829	88.8
274.09158	4.8
287.10324	9.0
299.10419	23.6
301.08328	8.2
315.09955	11.6
316.10413	2.7
341.11319	2.6
343.09354	6.5
361.10468	99.6
362.10800	5.8
398.77017	1.3
435.14111	21.2
461.15491	2.5
462.14221	1.2
463.13809	2.7
480.15598	1.5
523.15930	22.8
524.17053	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	523.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98849	3.2
64.94657	1.7
69.03468	2.0
69.63009	1.7
71.01386	25.1
73.02954	5.1
74.04327	1.8
75.00867	5.9
75.52426	1.5
79.95755	2.8
80.96524	12.9
83.01404	2.4
85.02968	10.0
87.00900	2.3
89.02457	3.4
94.98077	2.7
95.01446	1.6
97.02961	2.1
99.00890	4.2
99.04533	1.8
101.02453	10.2
105.03444	1.7
113.02444	9.0
122.82650	1.6
124.20255	1.5
125.02433	3.7
127.04114	1.6
131.03535	5.1
133.02969	7.1
137.02444	2.6
143.03488	3.2
153.01904	2.0
161.02542	2.0
161.04584	3.2
164.98640	3.9
168.15353	2.1
177.01956	3.4
183.98282	2.3
215.05627	14.1
225.00739	3.6
275.07864	3.3
287.16669	3.0
289.16635	4.3
361.01181	1.6
403.15027	1.4
403.19827	29.4
404.20248	1.9
421.20950	9.2
426.15216	3.5
523.18585	26.3
523.34216	4.9
524.18488	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	523.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.4
59.01381	93.0
62.87094	2.8
69.19774	10.3
69.20198	18.5
71.01389	90.8
73.02936	18.2
77.02457	2.9
82.95470	2.9
83.01377	7.5
85.02952	33.1
87.00910	6.0
88.81581	2.9
89.02452	41.5
92.57092	2.9
95.01388	5.6
96.96033	7.5
97.02941	4.5
99.00874	7.8
101.02451	57.3
104.89046	3.0
110.02486	76.4
111.00924	4.6
111.02869	19.4
113.02464	33.2
117.03494	4.4
118.34766	3.6
119.03522	12.8
119.05016	10.9
119.48235	3.5
120.05350	4.2
125.02430	5.4
131.03497	8.3
143.03499	3.9
145.02977	25.8
146.03354	12.6
149.04588	9.0
159.03052	5.9
161.02502	4.6
161.04587	47.5
163.04028	10.2
164.04453	4.4
187.04013	12.4
188.04393	6.1
196.06171	9.3
197.06429	8.0
205.05118	4.7
315.69296	3.3
331.17612	100.0
332.17896	7.9
372.71231	3.5
388.80823	4.2
399.80045	3.3
463.21811	71.3
464.22186	8.0
523.27826	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	523.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.3
59.01388	61.9
71.01390	77.2
72.99301	2.3
73.02954	16.0
80.92329	2.1
83.01402	8.3
85.02959	26.0
87.00901	4.1
89.02456	43.1
89.02962	3.7
93.51561	1.7
95.01420	5.2
96.96059	2.9
98.21786	4.6
99.00897	11.3
101.02450	43.7
113.02465	30.0
116.80219	2.0
119.03532	6.6
125.02470	5.2
129.53130	1.9
129.96204	1.8
131.03503	8.6
143.03548	4.3
145.03053	2.1
146.94559	1.9
149.04599	7.9
159.03004	4.7
161.04578	48.7
179.05672	4.1
229.06224	4.6
247.07234	2.6
310.63727	2.0
331.17642	100.0
332.18042	3.5
368.99246	2.0
446.35251	2.1
463.21890	77.3
464.22122	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	523.2553
Annotation	Safracin A
Peak:m/z	Relative Intensity
53.17774	0.8
55.01868	1.4
57.03444	3.0
59.01368	6.9
65.03966	1.2
67.01868	0.9
69.00098	2.4
69.00502	6.8
69.03458	10.8
71.01376	2.2
71.05004	3.1
72.68070	0.7
79.80854	0.8
80.02640	0.8
81.03000	0.8
81.03442	3.9
82.39138	0.8
82.51174	0.8
83.05018	3.4
83.81316	0.7
84.02145	0.9
95.05057	1.9
97.02953	5.2
97.06602	3.2
107.05045	1.9
108.02171	1.7
109.02995	1.4
109.06597	26.8
109.07368	1.3
110.03742	1.6
110.18634	0.8
111.04543	1.5
121.06597	3.1
122.03761	0.8
123.08140	4.3
125.09724	13.0
128.73915	0.9
133.06613	1.3
135.08194	2.9
136.05287	1.2
137.09732	1.3
142.02701	1.8
143.02222	0.8
145.10207	1.1
145.70503	0.8
149.09732	2.0
151.11273	6.5
153.12857	2.8
156.53568	0.7
161.09732	14.1
162.06947	0.9
163.07669	0.9
163.11295	13.6
165.09160	1.0
171.10291	1.1
173.04105	1.0
177.09184	0.9
179.10783	33.8
180.11180	1.0
181.12331	4.7
185.11848	5.9
189.09216	1.7
197.11839	100.0
198.12154	3.3
207.10269	41.7
208.10558	1.6
209.11774	2.7
217.12384	0.8
219.10194	2.1
223.09703	4.9
225.11311	22.1
226.11703	0.9
235.13440	2.7
237.11307	3.8
241.10812	17.6
278.63031	0.9
281.13782	1.2
297.13440	7.8
298.13727	0.9
299.14951	3.8
300.38174	0.9
311.15186	1.0
315.14499	19.9
316.15033	1.2
320.93903	0.9
325.21597	0.9
345.22784	1.3
369.20615	1.8
387.21851	3.3
405.22775	1.5
435.23865	1.5
443.24060	0.9
461.25696	4.9
462.25629	1.1
479.26596	4.6
505.24722	5.6
514.37927	0.9
523.25482	75.7
523.32025	2.6
524.25891	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	523.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73179	1.7
54.47145	1.8
57.03457	4.6
59.01380	8.5
61.98831	2.0
66.51661	1.8
69.03462	10.8
70.95248	4.4
71.01382	2.7
81.03468	5.7
81.66853	2.3
82.68382	2.1
83.05038	5.6
97.02936	6.2
97.06601	6.0
99.00916	2.2
109.06589	28.2
111.04511	3.0
121.06612	3.8
123.08160	7.2
125.09763	10.0
135.08173	7.9
150.06889	7.7
151.11328	7.3
161.09763	13.7
162.06863	38.9
163.07635	7.7
163.11327	15.3
176.08354	3.6
177.09222	15.7
179.10791	31.4
181.12392	4.7
185.11868	6.6
189.09230	3.5
197.11848	100.0
198.12207	3.1
207.10278	46.3
208.10641	1.9
209.11847	2.7
223.09830	6.2
225.11319	21.1
235.13417	3.8
237.11324	2.5
241.10873	20.1
297.13388	8.0
299.15009	3.4
301.17825	2.1
315.14505	24.4
324.01514	1.9
331.32141	2.1
345.22922	21.6
348.53546	2.0
387.21964	4.2
391.91241	2.6
405.06760	2.3
435.23956	2.5
456.74588	2.0
461.25339	7.2
479.26566	5.3
505.24597	4.5
505.31665	19.3
506.32306	2.9
523.25446	87.1
523.32837	57.1
524.25610	9.9
524.33313	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	523.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51753	9.8
69.03621	100.0
83.91209	9.7
91.08402	9.4
96.35842	9.6
116.20921	9.8
127.87038	23.2
150.12862	11.1
152.27495	9.2
156.94553	9.7
159.86046	32.6
162.83911	25.9
164.83655	19.8
167.24266	9.5
187.06519	9.0
206.31053	9.0
251.20187	11.7
257.93332	28.1
261.38019	8.9
295.23019	16.8
386.54016	10.5
523.26813	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	523.2918
Annotation	Carthamosterone B
Peak:m/z	Relative Intensity
57.03453	32.2
59.01391	10.5
61.98817	5.1
64.28957	1.4
69.03442	4.0
69.35526	1.7
71.01376	4.2
73.02950	1.8
85.02960	7.0
87.00840	2.1
87.04518	12.9
89.02429	1.8
98.36494	1.4
101.02439	2.7
108.87340	1.4
109.06593	2.2
113.06085	3.9
124.01659	1.7
132.07813	1.6
133.02948	3.4
135.04546	1.8
136.05321	12.9
139.07658	2.1
148.05312	13.8
149.06052	6.5
150.06870	3.7
151.07642	1.6
152.07603	1.4
152.55579	1.5
154.01437	5.7
155.07124	1.7
163.07654	10.5
165.09251	9.8
170.58459	1.8
172.23982	1.5
173.08195	100.0
174.08600	3.9
185.08174	2.1
197.11690	1.6
203.09200	7.1
287.16592	2.1
349.20206	4.1
359.20590	5.3
426.14719	2.0
463.31552	2.1
505.27939	3.1
523.29041	85.1
524.29419	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	523.349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.9
57.03450	3.1
58.00589	1.1
59.01386	34.8
61.98832	2.2
66.12361	0.7
69.03471	1.4
69.88346	2.5
69.88764	1.6
71.01389	34.9
72.99315	1.7
73.02953	11.4
80.96558	1.2
83.01391	6.4
85.02961	15.9
87.00887	2.9
88.02277	0.8
89.02453	10.5
89.14609	0.7
95.01410	2.9
97.02952	1.3
99.00873	3.6
101.02454	24.2
111.00878	1.7
113.02460	14.1
113.67085	0.8
119.03542	4.3
123.01031	0.7
129.01949	1.2
132.02307	1.0
133.02965	5.4
137.02448	1.3
159.03032	1.9
161.02477	1.2
161.04591	3.3
177.01941	2.0
179.03499	1.0
179.05756	0.9
191.09859	0.8
194.08249	0.9
211.17052	3.2
223.20625	1.2
226.06473	0.7
239.20360	0.8
257.21210	1.3
260.83133	0.8
315.25256	1.1
359.27893	2.1
361.29599	31.7
362.30017	2.8
418.00269	0.8
426.14954	2.5
431.26373	1.4
449.27295	1.8
487.25607	2.7
523.18420	2.3
523.34912	100.0
524.35236	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	524.199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54757	0.3
59.01381	0.8
61.98835	100.0
71.01394	0.5
71.28720	0.4
71.29122	0.4
78.73320	0.3
101.02513	0.4
116.91738	0.3
133.22748	0.3
181.98689	0.3
224.12071	0.4
255.11472	0.8
321.14752	0.5
323.91043	0.3
343.09564	0.5
391.14447	0.4
437.96301	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.7
61.98834	100.0
71.01396	0.3
71.29502	0.5
85.02987	0.3
101.02480	0.3
113.02480	0.3
133.03017	0.3
147.04628	0.3
197.79135	0.3
211.07738	0.3
212.08072	0.3
226.06407	0.3
243.08820	0.3
258.08685	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	68.7
69.07072	28.9
71.01389	70.7
71.18829	2.8
72.99299	3.7
73.02938	11.9
73.03293	2.7
83.01386	7.3
85.02966	23.2
87.00881	5.0
89.02452	50.4
93.03449	3.1
94.03017	2.8
94.03799	3.5
95.01389	4.3
98.20295	2.8
99.00868	3.6
101.02443	35.6
108.02215	2.5
111.00914	4.0
113.02459	19.7
119.03485	13.3
119.05022	7.2
121.02973	44.3
125.02440	6.4
131.03494	9.2
135.04552	5.1
137.02368	3.6
145.02982	9.7
149.04562	16.6
159.02939	3.3
161.04593	9.8
163.04033	9.7
169.06589	2.9
179.05682	3.1
186.09267	5.4
187.09599	6.5
187.13425	10.4
191.05670	18.8
192.05931	7.9
197.06065	3.1
199.05231	2.4
199.07655	9.0
205.05080	2.9
229.09846	4.3
230.10185	6.0
256.11862	3.0
267.06726	3.6
273.08926	5.4
274.09167	8.5
285.07681	10.1
291.61081	3.0
344.09512	2.8
345.10260	4.5
349.18735	61.4
350.19321	4.3
361.10052	5.3
362.10687	9.2
363.10806	3.5
409.50839	3.0
462.14221	3.3
480.14670	2.8
481.22961	100.0
482.23444	6.5
524.18701	53.0
525.17590	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	525.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	0.9
59.01385	12.6
59.84163	0.7
61.98841	0.7
64.65244	0.7
71.01395	8.4
71.28123	1.0
78.71227	0.8
83.49517	0.7
85.02944	2.2
88.00005	0.7
89.02466	6.7
91.01892	1.4
93.03472	1.7
95.01389	1.4
100.42509	0.8
101.02441	4.5
108.02184	20.5
108.02924	1.0
113.02477	5.8
119.03507	3.0
121.02985	9.1
122.03762	5.1
123.03656	1.0
123.04542	15.8
133.02985	2.1
135.04556	16.4
136.04874	0.8
137.02472	8.7
149.02473	16.1
149.06186	0.8
150.03246	42.8
151.00328	0.9
151.03906	2.7
152.01175	52.6
161.02449	4.9
161.04594	1.3
164.04843	3.1
165.05594	43.1
166.02753	2.0
166.06018	1.7
167.03519	100.0
168.03862	3.2
176.44907	0.8
177.05524	1.4
179.01056	0.8
179.03493	3.8
179.05592	1.6
180.04294	2.9
181.05078	2.1
195.04811	1.5
195.06650	31.1
197.06091	1.2
203.03618	2.6
209.04570	5.3
239.05612	3.1
256.07431	6.0
269.06677	1.0
271.09766	2.5
281.06943	0.8
285.07672	1.0
299.07767	3.0
300.06650	1.0
303.12256	1.3
315.08798	16.1
316.09232	1.0
341.08899	1.9
345.15747	1.6
359.09799	1.5
363.10889	27.4
364.11276	2.1
443.19141	0.8
465.17606	1.1
525.15704	8.6
525.22314	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	525.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68818	0.5
59.01361	2.5
61.98837	5.7
63.96233	1.1
65.02782	0.6
69.63152	3.3
71.01384	6.9
73.02926	2.5
78.98597	5.4
79.95741	9.5
79.96205	0.8
80.96522	63.7
81.03471	0.6
85.02927	3.0
85.08823	0.6
87.00879	3.4
90.13604	0.5
94.98092	15.6
96.95989	0.7
97.02937	1.9
98.21820	0.7
101.02436	2.5
106.98076	2.9
109.06583	1.5
113.02476	1.1
117.03452	0.5
118.74625	0.5
118.90369	0.5
119.05025	0.7
122.97608	5.1
125.02443	2.6
127.04000	0.9
131.05119	0.6
134.97589	4.6
136.99161	1.3
145.02977	2.1
148.99162	5.7
152.98631	7.6
162.05557	0.8
163.11272	0.7
164.98631	11.4
182.99629	2.3
206.99702	2.4
207.10251	2.1
219.49173	0.6
223.40077	0.5
224.98563	1.2
225.00745	16.4
240.10315	1.0
243.01770	1.4
299.04382	2.7
345.91165	0.6
451.62497	1.2
525.16467	100.0
526.16858	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	525.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55077	0.5
59.01377	2.3
61.98830	2.8
63.96236	0.9
64.31673	0.6
65.25977	0.5
69.03443	0.9
69.19887	4.3
71.01026	0.7
71.01389	8.0
72.99281	0.7
73.02946	1.6
78.95872	0.5
78.98599	5.4
79.95744	9.1
80.96520	60.1
83.01402	0.8
85.02973	2.4
85.26595	0.5
87.00875	2.7
94.98094	13.1
95.01398	0.6
96.96001	1.3
97.02940	1.8
101.02461	2.1
106.98087	1.5
109.06577	1.2
110.03330	0.5
113.02481	1.1
122.97575	2.8
125.02457	2.7
127.04058	0.9
134.97603	4.5
136.99152	1.2
148.99165	4.6
152.98643	5.6
164.98631	11.4
167.00305	0.7
172.35706	0.5
206.99718	2.0
207.10292	1.1
225.00748	13.8
283.10388	0.8
299.04395	2.9
525.16486	100.0
526.16724	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	525.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13765	1.4
55.01884	2.2
57.63819	1.3
58.00594	5.0
59.01385	97.4
62.68418	1.4
65.13162	1.3
69.67260	1.3
70.19177	1.5
70.30118	1.4
71.01389	76.6
71.28767	1.6
71.29182	1.7
72.99303	5.7
73.02956	4.5
74.23038	1.3
80.91708	2.5
83.01394	3.3
83.05026	3.1
84.38864	1.4
85.02962	14.9
87.00903	4.3
89.02454	70.3
93.03431	2.7
95.01403	7.5
101.02458	44.4
108.02193	19.4
110.06145	1.8
113.02460	32.2
119.03512	39.0
119.05146	1.5
121.02985	10.5
123.04523	12.9
127.81543	1.6
131.03502	3.7
133.02975	3.4
135.04541	15.8
137.02475	8.1
143.03499	5.9
149.02473	13.9
149.04510	3.2
149.06097	1.9
150.03250	34.1
151.04056	3.8
152.01166	42.0
155.88919	1.5
161.02452	4.1
161.04565	8.0
164.04825	3.8
165.05577	47.2
167.03513	100.0
168.03888	4.8
168.06686	6.0
179.03557	3.9
179.05612	13.8
180.04292	2.7
195.06638	28.6
203.03511	3.1
209.04568	4.5
212.09329	7.7
245.10321	1.8
256.07401	5.5
267.10025	2.2
271.09598	2.2
299.07730	3.0
303.12213	10.0
315.08801	15.8
341.08893	1.8
359.09824	3.4
362.11349	1.7
363.10883	23.5
363.16299	3.3
364.11328	2.8
465.17258	19.3
466.18048	1.7
525.16168	5.4
525.22272	43.5
526.22235	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	525.2707
Annotation	Chlamydocin
Peak:m/z	Relative Intensity
57.03432	1.4
59.01380	1.9
61.98832	5.4
67.36644	0.9
69.03453	6.2
70.16414	3.1
71.01370	2.6
71.05024	3.2
72.92461	0.9
80.02665	1.3
81.03449	2.9
83.01405	1.6
83.05031	5.8
84.02187	1.6
95.05032	1.5
97.02979	1.2
97.06598	2.6
109.06602	1.6
111.04510	1.2
123.08166	3.0
125.09741	6.0
137.09662	1.2
149.09752	1.0
151.11290	4.5
153.12852	3.0
161.09740	10.5
163.11295	5.5
165.12843	2.5
171.10266	1.4
179.10785	31.4
180.11154	1.0
180.43259	0.9
181.12399	1.9
185.11810	1.4
191.10872	1.3
197.11842	100.0
198.12178	4.0
207.10133	1.3
209.11835	73.9
210.12131	3.1
222.99623	0.9
223.09772	5.8
225.11243	1.2
227.12917	12.0
241.10826	14.6
242.11090	0.9
289.17996	1.1
297.13516	7.5
315.11050	1.8
315.14511	21.0
316.14777	1.2
387.95856	1.0
389.23383	1.8
463.27173	1.3
507.26019	2.1
525.27051	69.8
526.27252	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	525.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28249	8.5
61.93908	9.6
61.98814	13.4
67.36893	8.4
69.01598	100.0
69.84286	8.1
69.92640	8.8
73.45728	9.1
78.80943	9.0
88.91205	8.5
112.25101	10.1
122.29114	9.3
263.77719	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	526.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64865	0.5
59.01393	2.6
61.98837	100.0
69.30412	3.9
71.01399	2.1
72.26764	0.5
73.02966	0.8
75.00895	2.1
80.96529	2.5
89.02481	0.6
94.98089	0.6
101.02480	1.2
104.55173	0.6
113.02431	0.8
161.02481	0.7
279.12604	0.6
334.18634	1.2
434.53345	0.7
463.09317	0.7
466.23404	1.1
526.16577	2.6
527.15430	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22170	0.6
59.01382	2.0
60.01699	0.7
61.98836	100.0
62.08142	0.6
69.37412	4.7
71.01398	1.8
73.02968	0.9
75.00885	1.9
80.96544	2.5
85.02953	0.8
89.02475	0.8
98.21751	0.9
101.02493	0.7
113.02486	1.0
117.90219	0.7
161.02649	0.8
200.89500	0.6
271.02460	0.6
300.02744	0.9
334.18829	0.9
341.52927	0.6
466.22940	1.0
526.16840	4.0
527.15314	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98348	0.6
53.32540	0.5
57.03440	0.7
59.01387	6.0
61.98834	2.6
71.01382	2.9
71.29344	0.8
72.00903	1.4
73.02955	1.4
85.02964	1.1
89.02468	1.2
93.03439	0.7
96.95995	0.9
100.00416	5.9
101.02409	1.1
109.02949	0.9
110.02467	0.8
113.02490	1.4
116.05052	1.1
116.07204	0.7
130.06606	1.1
133.02992	3.2
134.03751	1.8
135.04536	100.0
136.04868	2.6
142.06635	11.8
145.02946	1.0
151.00429	0.9
157.07712	0.7
159.09297	0.7
161.02469	12.2
163.04036	0.8
173.08266	1.1
183.00838	0.6
185.07219	0.7
186.05617	7.9
188.57585	0.7
191.05612	0.8
197.05652	0.6
203.08246	0.8
229.06181	32.2
230.06537	1.8
252.61078	0.6
297.09796	7.2
300.95450	0.6
321.12430	1.0
323.07742	3.9
323.16187	1.2
365.11417	25.4
366.11874	2.0
377.64499	0.6
409.13150	2.4
417.24924	0.6
456.52127	0.7
527.17035	5.9
527.24225	1.2
530.86621	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.6
61.98833	1.3
71.01381	1.7
71.29443	0.6
71.68353	0.4
72.00918	4.4
73.02940	1.0
74.02473	0.8
74.94065	0.4
76.55226	0.4
84.69473	0.4
85.02969	0.5
93.03490	0.5
96.96053	0.8
99.99763	1.0
100.00421	17.7
101.02458	0.8
107.05051	0.9
108.02092	0.5
109.02959	3.0
113.02454	0.9
116.05044	3.4
119.05035	1.0
130.06624	4.3
133.02988	6.7
133.06860	0.5
134.03801	2.8
135.04539	100.0
136.04881	2.7
137.02509	0.4
139.36066	0.5
142.06633	34.4
143.06975	1.2
145.02931	1.5
151.00389	0.6
157.07721	1.7
159.09305	1.3
161.02460	28.2
162.02850	1.0
163.00320	0.5
163.03976	1.0
174.33286	0.5
185.07227	1.6
186.03932	1.0
186.05615	18.5
187.05840	0.7
190.05180	0.6
203.08289	3.2
227.03554	0.9
229.06190	79.5
230.06567	3.3
255.02916	0.9
258.63541	0.5
284.03320	0.9
285.04065	2.0
312.41013	0.5
321.12387	1.2
322.99570	0.7
365.11459	52.2
366.11667	4.0
429.08212	1.4
527.17352	2.6
527.24249	0.5
527.28302	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.3
59.01382	6.4
60.99297	2.1
61.98832	2.7
66.03480	0.8
67.01886	4.4
69.03465	1.5
69.08113	4.5
69.70447	0.5
71.01390	6.9
71.15677	0.5
73.02948	1.5
75.00874	0.8
81.03447	1.0
83.05029	1.2
85.02470	0.9
85.02954	12.7
87.00885	10.6
87.04517	0.9
89.02447	2.2
93.03463	31.8
94.03825	0.7
96.96016	1.2
97.06573	0.6
99.00896	1.7
99.04532	0.9
101.02444	2.1
107.77945	0.5
109.02945	2.0
110.02526	0.6
111.00876	0.6
111.04527	5.8
113.02473	1.9
113.99590	2.4
115.00376	2.6
116.92890	0.7
117.03458	0.6
119.03546	1.2
119.05042	1.1
120.99699	0.6
123.04527	0.6
127.03992	2.8
129.01939	1.3
135.04570	0.7
135.08133	0.7
137.02499	1.2
137.09731	3.2
141.05592	0.5
143.03452	0.8
145.02931	1.0
155.03499	1.5
159.04495	0.5
161.02345	0.6
163.03918	0.8
163.11336	1.0
171.03024	0.8
173.04555	22.5
173.08168	1.5
174.01724	2.9
174.03090	0.7
175.02463	1.9
187.04208	0.5
191.05623	100.0
192.05981	1.8
215.07158	1.1
222.06990	0.6
223.07693	0.6
229.12277	1.1
237.09300	0.8
247.13266	0.5
251.07263	1.0
251.10788	2.5
253.08748	0.6
253.15913	1.2
256.07336	1.2
257.08258	3.2
263.14453	0.6
265.08771	0.8
265.12152	1.1
269.08160	0.7
279.10291	1.2
280.11072	1.6
281.15503	1.3
283.09738	1.1
294.12607	0.8
297.11194	0.6
305.13992	6.1
305.17270	1.0
309.14865	5.0
310.17587	0.5
323.16031	1.7
324.10120	2.0
335.12827	0.7
353.13943	43.8
354.14230	3.2
361.20963	0.6
365.15878	1.0
430.12396	3.1
527.19464	20.7
527.28497	3.4
528.19489	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	527.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32959	10.8
98.21811	1.7
117.03470	16.3
119.05060	7.8
121.02975	2.6
145.02965	80.0
146.03282	2.4
163.01697	1.5
163.04004	5.8
164.76624	1.6
257.45248	1.9
271.22839	7.5
331.26376	4.6
355.26035	1.8
399.25333	31.6
400.25555	2.9
417.26401	21.8
491.30185	100.0
492.30688	9.7
554.10193	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	527.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
65.64343	3.3
70.65107	7.0
70.65437	4.6
117.03481	19.9
119.05038	9.3
145.02963	100.0
163.04027	6.3
163.48732	4.3
218.47900	3.7
271.22693	9.0
271.44095	4.4
331.26379	11.3
399.25439	29.0
417.26462	11.4
437.47644	3.6
481.25436	4.5
491.30219	64.9
492.30420	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08077	56.2
54.93554	65.6
56.04171	56.8
60.58705	59.6
71.29597	100.0
82.28525	58.2
85.62789	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	5.2
65.09584	1.0
69.08665	1.4
69.09064	9.5
71.01393	2.2
87.00803	0.9
89.02445	2.4
98.22528	2.4
101.02441	3.1
113.02444	2.2
122.96865	0.9
146.19551	1.1
161.04611	1.2
188.19154	1.2
230.54733	1.2
235.08243	1.8
249.18608	100.0
250.18948	4.1
253.09254	16.8
259.20016	1.3
277.23935	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39230	2.9
59.52784	2.6
69.36083	3.7
69.36482	19.8
73.02914	3.2
73.15208	3.4
77.42214	2.7
80.74657	2.7
84.22062	2.9
93.72292	3.1
98.22498	4.9
160.84189	3.2
182.17944	2.7
194.24377	3.3
195.04762	3.0
216.53020	2.5
245.24545	2.8
249.18617	100.0
249.21082	5.7
250.18864	6.8
253.09355	16.9
347.25125	3.3
491.26776	4.8
492.26886	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	529.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85978	3.0
59.01366	6.0
69.10330	13.6
69.10748	17.0
69.28345	3.8
72.00919	5.9
74.02459	9.1
76.97459	3.5
83.05037	22.2
98.21703	3.9
102.95129	3.5
106.19142	3.9
112.05601	3.6
116.05080	40.7
119.05018	42.7
121.97649	3.4
125.06098	26.5
135.04550	22.3
142.06616	10.0
159.09262	7.0
163.04025	41.8
164.35114	4.3
169.05083	4.6
179.03511	32.2
187.06142	38.3
203.08269	100.0
204.08525	4.4
244.64119	3.7
261.43976	3.7
341.08865	4.4
423.89243	3.9
458.50769	4.1
523.98309	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	529.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	0.6
59.01382	6.7
61.98838	0.8
69.02501	4.2
69.02911	1.6
71.01385	5.1
72.99324	0.6
85.02946	1.5
87.00856	1.0
89.02451	5.6
91.28787	0.6
99.00861	0.6
101.02444	6.9
113.02479	3.6
119.03486	1.7
161.04590	3.5
166.90044	0.5
179.05635	1.3
179.14417	1.0
195.13893	9.6
205.12276	0.7
211.13426	0.9
223.13376	6.4
228.13414	0.8
252.60835	0.7
253.09291	29.2
256.13135	1.1
275.20117	5.4
293.21243	100.0
294.21555	5.9
304.59479	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19577	1.4
59.01366	2.1
65.68031	1.3
67.94503	1.6
69.07867	10.6
69.08288	4.1
71.01381	2.3
88.97115	1.9
89.02469	1.5
124.41537	1.5
235.08127	2.3
251.20180	100.0
252.20560	3.8
253.09367	14.5
326.89795	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	530.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74962	4.6
55.01881	5.9
59.17913	5.1
60.69086	4.9
69.02433	14.0
69.02837	45.1
83.01399	85.0
97.62922	6.6
105.06771	5.3
108.03474	5.1
132.06847	5.3
138.07373	5.3
157.05112	9.6
175.06151	6.7
181.11230	4.9
218.90904	5.5
249.21175	4.7
277.21759	100.0
278.21976	9.2
310.51846	5.5
383.97430	5.5
435.27563	74.5
436.27991	10.6
480.33179	7.2
521.78552	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	531.157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67723	0.6
69.68514	2.2
71.05025	2.9
72.99312	2.6
75.00880	0.9
81.03466	15.4
84.02150	1.0
99.04527	30.1
127.04050	1.1
137.84291	0.6
145.05084	100.0
146.05464	1.4
189.04063	37.6
190.04358	1.6
464.54395	0.7
531.30560	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64108	0.7
53.57622	0.9
57.95409	1.0
59.01395	1.0
61.79906	0.8
61.98826	1.1
62.38613	0.8
63.07569	0.8
71.28683	1.5
83.05027	1.6
85.06596	19.5
89.02492	1.6
91.09310	0.7
111.04525	6.9
127.04028	1.5
129.05597	100.0
130.05922	2.2
139.07658	1.2
145.02943	0.9
168.07948	1.0
239.12997	1.1
305.62781	0.9
401.18344	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	532.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05016	3.4
56.24434	2.7
61.98838	9.5
70.84039	8.1
76.51650	3.5
78.95921	4.9
121.02943	4.7
127.00832	3.1
149.06084	3.9
152.99651	4.1
153.06569	3.8
196.89575	7.0
244.86008	3.2
253.09299	13.0
253.21732	100.0
254.22070	5.5
347.54745	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	532.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75047	4.6
59.01387	5.3
59.29814	4.2
63.04948	4.4
69.06197	13.8
69.06619	33.3
71.01381	5.1
76.31580	4.8
101.02499	5.6
113.26617	4.6
121.37605	5.1
253.09348	22.6
253.21729	100.0
254.22237	7.5
301.27036	4.8
552.58209	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	532.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46822	4.8
53.28673	4.3
55.01889	5.2
57.03451	5.7
61.98829	6.3
62.00489	4.1
65.89529	4.1
67.95390	5.4
71.30554	7.2
81.02991	4.3
83.01389	74.9
103.14133	4.7
157.05070	10.8
175.05980	4.4
253.09366	18.5
253.21735	79.9
279.23346	100.0
406.91977	5.1
437.29071	43.5
482.35406	5.6
497.32596	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	533.0942
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
56.54065	2.7
57.30289	2.4
63.66754	2.3
69.14943	21.0
113.02457	9.3
117.92022	2.1
128.69202	2.3
163.00336	2.8
187.03862	2.8
187.07617	6.0
213.05638	3.2
215.07269	2.5
227.03532	29.6
229.05026	10.4
239.03545	2.4
255.03020	52.4
256.03534	6.0
257.04651	4.7
257.08173	8.3
284.03265	76.3
284.06384	4.5
285.04050	100.0
286.04480	6.9
333.14069	2.2
338.07736	2.9
341.09836	3.0
353.10092	3.9
371.11261	3.1
376.77600	2.5
418.49570	2.9
456.65472	2.5
489.10233	42.6
550.80811	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	533.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.4
70.42631	2.8
70.42967	1.6
71.01381	4.4
80.80264	1.4
85.02956	10.4
87.00889	2.0
96.23243	1.3
99.00880	2.2
99.04533	2.2
127.04082	1.6
129.01938	11.1
129.12184	1.2
145.05070	5.4
146.05408	1.9
147.05504	2.4
168.43687	1.2
189.04134	1.5
191.02052	7.9
191.05635	100.0
192.06027	3.5
254.10286	1.3
377.75717	1.5
385.43982	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	533.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71850	1.3
57.03446	1.3
58.60707	1.1
61.04794	1.2
67.01881	1.1
71.01372	2.7
81.07345	1.3
85.02951	11.2
86.60706	1.2
87.00890	1.7
93.03463	3.3
98.22562	2.4
110.64835	1.1
115.78085	1.2
119.37707	1.1
121.35947	1.2
127.04012	2.8
129.01945	10.1
145.05034	3.3
147.58286	1.2
191.02005	7.5
191.05623	100.0
192.05951	3.4
207.68799	1.4
229.15553	1.5
238.01540	1.2
548.60120	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	533.1671
Annotation	LMPK12111723
Peak:m/z	Relative Intensity
57.03439	1.5
59.01383	7.6
61.98834	7.9
64.99580	1.1
69.46072	1.0
69.52768	5.2
71.01385	4.7
73.02956	1.0
82.66597	0.9
83.01385	1.2
83.22981	0.9
85.02965	7.6
89.02481	1.8
93.03485	2.1
96.96027	1.0
97.02883	0.9
101.02467	2.8
105.26940	1.0
108.71750	0.9
109.02998	1.7
113.02460	21.9
117.03487	1.5
119.03563	1.4
119.05027	3.0
121.02958	7.2
123.04561	1.5
133.02959	2.2
135.04533	2.1
137.02487	1.5
145.02988	5.3
147.04552	5.6
148.05339	6.2
151.04044	1.3
152.34973	1.1
158.03777	1.4
159.04517	1.5
160.05392	1.1
163.04024	2.4
171.46825	1.1
172.05362	2.9
174.03180	1.1
175.04103	1.5
176.04822	2.1
180.04359	1.3
187.07651	15.0
189.05603	2.1
191.03500	11.5
191.05283	1.5
191.05563	1.6
191.07146	10.6
192.04286	3.0
193.04953	1.4
196.05339	1.5
197.06128	1.3
200.04781	2.7
206.05870	1.6
209.06119	1.4
211.07684	2.7
213.09225	3.0
215.07103	6.2
220.03708	2.8
221.06110	2.5
222.06815	2.4
223.07663	3.9
224.03224	1.9
227.03542	2.4
229.08656	1.2
231.06584	3.8
231.10231	1.7
232.10696	1.1
233.04373	1.5
234.06886	1.6
235.06026	3.1
235.07933	1.9
237.05591	3.3
238.04837	4.6
239.07169	8.6
249.05629	5.3
250.06285	3.7
251.07158	16.0
252.07721	2.4
253.08669	2.2
257.08209	18.8
262.06329	2.8
263.07129	7.0
264.07828	3.8
265.05014	3.0
265.08655	1.9
266.05832	11.1
267.06619	34.7
268.07104	2.9
273.07495	1.2
275.09256	2.2
277.05063	2.5
278.05823	2.3
278.09351	1.5
279.06638	24.9
279.09738	1.1
280.07175	4.1
281.08243	9.5
282.08969	15.5
293.08035	2.4
294.05386	21.1
294.08994	7.5
295.06201	7.9
295.09439	1.7
296.10464	1.5
297.11188	5.5
306.05197	1.6
307.06155	3.6
308.06796	2.3
309.07733	26.5
310.08313	5.5
311.05948	1.9
321.07520	1.8
322.08450	5.2
323.05649	16.0
323.09131	2.8
325.07184	3.9
326.07907	12.4
327.08777	1.4
327.12250	5.6
337.06958	1.6
338.07974	34.9
339.08398	2.7
340.09402	3.4
341.06021	2.1
341.10303	78.9
342.10754	5.8
353.10315	100.0
354.10764	9.5
371.11374	77.5
372.11694	5.7
375.10712	1.4
395.11517	1.7
436.10468	1.1
489.14389	2.6
503.15805	2.5
533.16614	18.1
533.23627	1.2
534.16394	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.8
61.98852	1.7
69.26177	9.9
71.01394	5.5
73.02927	1.2
85.02970	5.4
89.02433	1.5
93.03434	1.5
96.96012	1.1
98.22580	1.9
101.02447	2.2
109.02969	1.1
113.02461	18.3
117.03449	2.3
119.04993	1.5
121.02980	3.2
134.03685	1.5
135.37743	1.0
145.02991	6.9
163.04027	1.5
171.25737	1.1
172.05193	2.6
173.06033	1.5
178.10559	1.2
187.07600	9.9
202.89764	1.1
205.05133	1.3
207.08133	2.0
211.07616	2.8
213.09175	2.1
215.07062	6.0
217.66771	1.1
221.06015	1.8
223.07735	1.6
224.04762	1.8
231.06609	2.3
233.06175	1.6
235.07765	2.4
239.07030	5.6
249.05511	3.5
250.06311	3.2
251.07202	16.3
257.08237	8.2
262.06207	3.1
263.07172	7.9
264.07907	3.6
266.05804	3.9
267.06607	25.4
275.09323	1.5
278.05975	1.5
279.06601	24.0
280.07147	2.6
281.08286	1.3
282.09003	14.1
293.08301	2.4
294.05356	7.8
294.08960	6.6
295.06143	9.6
297.11292	4.1
306.05527	1.4
307.06091	5.2
308.06775	2.7
309.07855	7.8
310.08395	4.2
311.05624	2.4
322.08530	9.9
323.05624	24.3
323.09113	2.7
324.06134	1.8
326.07883	9.6
337.07166	2.1
338.07938	22.2
341.10315	64.9
342.10516	4.9
353.10297	100.0
354.10760	9.9
388.94986	1.4
441.12354	1.2
445.09641	1.2
489.13474	1.3
515.99384	1.4
533.17328	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	533.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.7
57.03449	3.1
59.01380	20.0
61.98843	12.2
65.58250	1.8
69.25278	2.1
71.01392	20.6
71.31589	4.4
72.99310	2.5
73.02933	2.6
76.58157	2.0
80.09536	2.2
85.02956	33.6
87.00906	3.1
89.02467	5.1
93.03473	2.3
95.01365	2.9
97.02948	2.5
99.00910	2.4
101.02457	10.6
107.32147	2.2
109.02934	3.8
111.00861	2.4
112.01688	2.1
113.02459	80.4
117.03448	3.1
119.03503	3.0
119.05039	7.0
121.02954	12.1
123.04548	4.9
132.02100	2.4
133.02966	12.6
135.04500	6.8
137.02443	4.8
145.02943	12.4
147.04523	7.7
148.05312	8.6
151.03967	2.5
153.05675	2.1
158.03636	2.2
159.04446	3.6
161.02516	2.8
161.04558	2.2
161.05937	3.5
163.03993	4.2
167.03529	3.6
172.05276	14.4
173.06140	2.9
174.03264	2.2
175.04028	3.9
177.01930	4.9
178.02762	3.0
179.03503	3.2
183.04506	5.9
185.02463	3.5
187.03998	4.1
187.07658	71.6
188.08018	3.1
189.05580	6.7
191.03506	10.1
191.07173	13.3
192.04172	3.3
194.05832	2.9
196.05305	4.0
198.03273	3.1
199.03978	8.5
200.04799	9.4
201.05598	3.6
203.03482	2.7
206.05756	3.0
211.03874	3.3
211.07622	7.9
213.05612	3.3
213.09206	13.1
214.06232	2.8
215.03549	2.9
215.07132	31.8
215.09013	4.1
220.03763	4.3
222.06917	2.6
223.07632	4.5
227.03516	16.7
228.04279	6.5
229.05078	3.5
229.08624	13.6
231.06659	13.8
231.10291	6.0
235.05975	3.6
237.05510	2.4
239.07068	7.5
249.05571	4.6
250.06299	3.3
251.07076	17.3
252.07562	2.5
255.02995	16.5
255.06523	6.7
257.08188	92.2
258.08612	6.1
262.06107	3.3
263.07077	6.7
264.07910	4.1
265.08701	2.8
266.05832	11.4
266.32602	2.4
267.06619	33.8
268.07297	3.9
273.07742	4.5
275.09293	9.3
278.09424	2.2
279.03989	2.4
279.06686	25.8
281.08176	6.5
282.09018	19.5
283.13385	3.6
284.03290	26.1
285.04065	29.1
286.04492	2.5
293.08029	3.4
294.05359	19.4
294.08987	10.9
295.06201	6.0
297.11212	5.2
307.06442	2.8
308.06830	2.5
309.07681	32.0
310.08221	5.4
321.07391	4.0
322.08408	8.6
323.05621	20.1
325.07019	3.0
326.07996	18.3
327.08929	3.0
327.12402	8.1
337.07266	3.7
338.07996	39.1
341.10303	83.1
341.14444	4.5
342.10535	5.8
353.10294	100.0
353.13974	6.0
354.10632	8.5
369.13220	3.8
371.11304	82.9
371.15884	4.8
372.11786	5.2
375.10791	6.0
413.16205	3.2
417.12195	2.3
419.13449	6.0
436.10114	8.6
489.09964	7.5
489.14453	7.1
533.16382	22.2
533.29932	5.1
534.16809	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	533.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.7
59.01374	1.2
66.31991	0.5
67.01871	0.6
70.63691	1.6
71.01370	1.4
85.02962	10.4
85.81522	0.5
87.00882	3.0
93.03462	2.4
96.11864	0.6
99.04577	0.8
109.02979	0.5
111.04541	1.4
127.04001	2.5
129.01936	3.8
141.58167	0.5
145.05040	1.2
171.02986	1.0
173.04579	1.2
189.04079	0.8
191.01974	2.5
191.05623	100.0
192.05975	2.2
199.51955	0.5
240.30980	0.5
248.42885	0.6
470.49988	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.8
59.19539	1.5
61.98829	3.0
69.48412	1.2
71.01395	7.9
73.02941	2.5
74.51243	1.3
80.05048	3.6
85.02964	2.4
93.03464	3.1
96.04560	11.1
98.21791	2.8
101.02461	3.9
113.02474	4.5
117.03473	34.8
118.03885	1.4
119.05038	74.8
127.82490	1.5
129.04410	1.4
133.06601	1.5
138.05653	1.7
145.02965	100.0
146.03328	1.7
161.04849	1.7
161.06059	8.3
163.04024	84.7
164.04382	3.8
168.07156	1.3
177.05602	4.7
181.09799	2.3
187.04002	3.0
205.05020	7.1
211.07632	2.6
257.07993	1.8
262.27524	1.3
265.07346	1.3
273.94336	1.3
359.67462	1.2
369.12982	2.2
387.14044	24.9
489.18805	14.2
499.22061	1.6
515.16687	4.0
528.06738	1.3
533.17798	65.4
534.18170	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	533.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25177	1.8
59.01360	2.8
70.05488	6.8
71.01386	5.9
80.05042	2.0
80.91681	5.0
85.02929	3.4
89.02367	1.8
93.03493	2.1
96.04562	9.8
101.02441	2.7
101.87906	1.9
113.02430	7.5
117.03468	33.2
118.03801	2.0
119.05030	59.8
120.05398	1.8
121.39322	1.7
123.93812	1.7
133.06624	3.0
145.02963	100.0
146.03258	3.8
159.04503	2.8
161.06055	6.1
163.04012	71.3
164.04417	2.6
177.05560	2.2
187.03979	2.2
205.05064	5.3
251.26460	1.8
369.13461	2.0
387.14111	26.7
401.89523	1.8
423.95078	2.0
489.18665	9.2
493.45111	2.0
515.16461	4.9
532.88776	1.8
533.17725	83.9
534.18243	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	533.203
Annotation	3,4,7-Trihydroxy-5-methoxy-8-prenylflavan 7-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.57783	2.4
57.03458	4.2
59.01385	39.4
68.62030	2.1
68.99812	6.0
69.40710	2.3
71.01388	53.2
72.99322	2.9
73.02966	4.7
83.01399	5.1
85.02966	21.0
85.10442	2.7
87.00883	4.2
89.02458	17.7
93.03467	3.6
95.01369	4.6
99.00887	3.9
101.02467	10.7
105.03488	6.9
111.00911	4.4
112.01696	3.7
113.02465	45.7
113.03182	4.5
119.03517	6.0
119.05083	2.6
123.04504	3.5
133.02956	43.2
134.03702	4.0
135.04529	11.0
136.05412	3.4
137.02460	3.5
139.04004	3.1
147.04543	8.6
149.02510	5.6
150.03305	2.5
151.04018	5.4
159.04526	3.0
160.01711	3.2
161.02452	13.4
175.04027	5.4
177.01985	11.1
178.02760	8.9
179.03560	7.8
183.04565	13.3
185.06213	3.9
186.06918	3.5
187.07697	4.9
191.05679	4.5
195.03047	6.3
196.05185	3.5
197.06071	12.3
198.03265	3.7
199.04144	3.2
199.07671	3.8
200.08524	3.4
201.05611	4.4
201.09262	3.8
202.06212	3.3
203.03467	4.0
209.06029	2.9
210.06897	3.4
211.03957	14.2
211.07834	8.3
212.04703	7.1
213.05705	6.2
213.09230	4.3
214.06349	3.1
215.07153	9.7
223.07555	3.2
224.04874	7.5
224.08531	2.5
225.05550	16.5
225.09311	8.6
226.02928	3.2
226.06404	6.6
226.10057	6.6
227.03424	6.7
227.07167	7.6
227.10852	7.1
228.07974	2.9
229.04866	3.0
229.08739	12.2
229.12428	2.8
231.10103	2.5
237.05470	5.9
237.09181	3.8
238.06331	3.6
239.03500	6.6
239.07199	7.4
239.10776	3.2
240.11478	3.6
241.08821	3.0
241.12375	5.7
251.07381	4.3
251.10887	6.4
252.07986	14.8
253.05197	6.0
253.08730	18.0
254.09560	3.6
255.06680	4.7
255.10324	11.4
255.13934	35.5
256.07532	3.9
257.08392	8.2
257.11731	3.0
267.10382	9.2
268.11130	11.1
269.11847	5.9
270.12646	8.2
275.09436	4.0
281.12082	4.9
281.15509	11.1
282.09161	2.8
283.13437	29.9
283.16464	4.3
295.09845	5.3
296.10574	10.2
297.11972	2.9
297.15210	8.7
298.12094	3.6
299.13031	11.0
299.16647	18.3
309.11691	4.5
309.15103	15.3
311.12958	23.5
323.12927	4.5
324.10110	4.6
325.14413	18.1
327.12366	14.3
327.16147	51.2
331.60168	3.0
341.10428	3.6
341.14099	7.4
343.15723	3.4
353.13947	94.2
354.14352	8.4
367.15555	4.7
369.13623	10.7
371.15027	43.6
371.24466	4.0
372.15155	3.0
385.16901	5.2
395.15005	18.8
413.16040	49.3
429.15463	4.5
436.09827	29.4
437.10513	3.2
443.17334	5.1
473.18237	18.2
489.17612	12.2
490.18445	3.2
533.20496	100.0
533.29584	15.2
534.21002	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	533.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01131	5.3
59.01388	69.7
59.26186	4.3
60.58844	4.0
69.03358	52.4
71.01388	31.6
71.88856	4.6
73.02979	5.8
77.03962	5.2
81.64361	4.5
83.01392	10.3
85.02959	43.3
87.00861	7.9
89.02457	11.5
97.02949	6.1
99.00909	9.3
101.02487	9.2
105.03456	13.2
112.01693	8.1
113.02460	97.7
119.05042	7.9
123.04522	15.8
131.04984	6.2
132.02206	6.0
133.02969	100.0
134.03751	7.9
135.04532	20.1
137.02432	8.7
137.19554	4.5
147.04510	20.4
149.02438	15.5
151.04010	15.7
158.03731	9.0
159.04433	11.1
160.01665	7.0
161.02502	34.2
161.06129	4.4
163.04019	7.4
171.04517	4.6
172.05305	12.8
173.06071	5.9
174.03358	4.9
175.04025	13.0
177.01933	29.3
178.02641	22.0
179.03508	14.8
185.06129	4.7
186.06908	19.4
187.07597	18.0
189.05489	6.2
191.05646	6.7
193.08672	5.5
195.02948	10.9
197.06108	7.9
200.04837	10.2
201.05573	16.7
201.09190	20.5
203.03568	11.1
211.04012	6.9
211.07562	9.3
214.06358	19.7
215.07133	38.8
225.05600	4.7
226.06261	6.5
227.07169	10.7
229.08762	39.5
239.03270	6.8
239.07127	10.1
253.08797	7.7
255.06667	7.5
255.14026	12.6
256.07458	14.4
257.08163	13.9
268.11041	6.6
273.07587	14.5
274.08447	5.9
275.09293	10.1
279.05139	8.5
283.13403	15.7
297.11111	5.2
297.14743	7.0
299.13062	4.4
299.16690	6.9
311.12875	13.2
316.09528	9.4
327.12354	11.0
327.16052	14.7
353.13861	33.6
371.15012	20.6
371.24527	6.9
372.17151	5.4
376.11511	6.0
395.14844	9.3
413.16125	13.1
436.09656	63.2
443.17407	7.9
473.18256	19.8
533.20184	55.5
533.29352	12.9
534.20105	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	533.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35899	2.1
57.03456	2.0
59.01365	6.5
59.08813	2.1
67.65504	2.4
68.99806	2.1
69.30294	18.7
73.07169	2.1
81.03452	3.2
83.05038	5.9
95.05025	5.2
97.06586	6.1
108.02196	4.0
109.06593	4.3
121.06616	4.3
125.09710	13.6
135.08212	2.3
149.09743	2.9
151.11349	3.2
163.11308	2.8
185.11804	2.0
187.07744	2.5
187.09718	2.9
191.10803	3.0
207.10219	3.6
209.11815	9.0
217.12294	4.3
219.10408	2.8
235.13519	10.6
237.11368	4.0
245.11876	4.0
263.12827	3.5
285.29401	2.1
289.14691	3.9
369.20111	2.3
371.22028	5.5
387.21661	3.1
395.22449	3.8
397.19922	3.9
415.20648	3.7
441.22787	3.3
461.25504	5.4
471.17719	4.5
471.23840	43.1
472.24173	3.3
489.24988	100.0
490.25262	7.4
497.25674	7.5
515.26563	48.0
516.26801	6.6
533.27802	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	534.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	15.5
60.01724	2.8
61.98835	52.8
71.01379	13.5
71.30082	4.4
85.02947	5.2
89.02460	9.2
89.02986	2.8
94.27959	2.9
99.00906	2.9
101.02437	5.5
110.02529	3.2
113.02458	8.9
116.92809	3.9
117.03489	5.3
119.05060	7.6
133.02969	29.7
135.04524	19.0
145.03004	21.2
161.02448	100.0
162.02844	4.6
163.04031	6.5
175.04056	3.6
177.05640	4.0
179.03528	26.2
202.18341	3.1
203.03519	13.6
211.07669	6.9
281.06458	5.8
341.08862	44.8
382.88559	3.3
439.12424	30.2
440.12610	3.1
534.16968	5.1
544.02167	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	534.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	12.3
61.98833	100.0
65.03851	1.0
69.32321	1.0
69.33725	4.9
69.34145	3.7
71.01381	6.6
72.36922	0.9
83.01379	1.2
85.02954	4.1
87.00877	1.1
89.02459	4.5
101.02450	4.5
109.02963	1.8
112.97701	1.1
113.02445	7.1
116.06689	1.2
117.03473	3.7
119.05025	5.1
119.75916	1.1
120.05283	1.1
133.02983	11.7
135.04532	11.1
140.74042	1.1
145.02956	11.3
146.03320	2.9
149.06111	1.3
160.05238	1.1
161.02454	56.2
162.02827	2.0
163.04077	5.5
164.04440	1.7
177.05562	4.1
179.03502	12.4
180.69202	1.1
187.07632	2.7
203.03519	10.9
211.07658	3.5
215.07108	1.3
221.04491	3.3
231.10226	1.3
243.15422	1.5
251.05644	1.2
257.08145	3.1
258.08664	1.2
281.06708	3.4
341.08813	36.4
342.09494	2.1
344.13773	2.4
439.12473	15.4
440.12515	1.6
513.10986	1.4
534.17487	6.1
535.18207	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	534.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25067	1.1
59.01385	8.6
69.37287	6.1
69.37696	2.6
71.01389	6.5
73.02955	1.7
74.59984	1.0
78.91913	1.5
84.17593	1.0
85.02952	4.0
89.02457	7.1
95.01431	1.1
96.04546	3.0
101.02453	3.9
113.02472	4.0
117.03485	23.8
119.03603	2.5
119.05042	22.0
120.05349	1.2
122.66717	1.2
133.06662	1.7
134.03737	1.4
138.05608	1.2
145.02969	100.0
146.03285	2.6
147.04630	1.3
161.06087	3.1
163.04030	19.2
164.07224	1.1
177.05635	1.7
187.04007	3.1
193.05083	5.1
195.85548	1.1
205.05002	2.1
211.07632	1.8
257.08267	2.0
325.09293	2.2
326.12463	3.1
329.13672	2.4
342.10370	1.2
344.13547	19.8
354.10831	2.1
373.12909	6.9
388.12308	7.6
446.70224	1.2
490.17279	3.2
534.16199	48.2
535.16553	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	534.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	7.0
59.18215	0.7
62.68642	0.8
69.20670	6.1
71.01389	5.5
72.41571	0.7
72.99295	1.0
73.02955	1.0
73.86639	0.8
80.05026	1.7
85.02946	3.2
89.02449	5.6
93.03501	1.2
95.01411	0.9
96.04562	2.7
96.81094	0.7
97.35708	0.7
101.02455	3.8
113.02487	4.6
117.02650	1.6
117.03474	24.8
119.03527	2.6
119.05036	22.0
133.06618	1.1
134.03694	1.0
134.48399	0.8
145.02965	100.0
146.03299	3.5
161.06055	1.9
163.04019	15.7
167.23276	0.8
177.05452	1.2
187.03978	2.9
205.05048	1.7
233.30280	0.8
308.98880	0.8
325.09354	3.1
326.12613	3.8
344.13550	22.0
345.13928	1.6
373.12726	1.3
388.12534	10.1
389.12790	1.0
490.17203	3.7
534.16205	59.2
535.16602	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	534.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49329	2.8
55.08456	2.6
59.01386	56.3
61.98835	100.0
63.28888	3.0
70.83521	3.3
70.83842	5.4
71.01378	11.9
73.02938	4.4
85.02962	6.3
89.02455	5.9
96.04595	5.0
101.02460	8.8
113.02457	11.2
117.03479	11.3
118.03786	3.9
119.05034	31.1
120.05367	10.7
130.91318	3.0
133.02921	4.6
135.04570	5.2
145.02962	33.8
146.03302	15.1
152.08432	9.3
153.09203	17.2
161.02469	30.7
163.04018	35.3
164.04346	18.9
165.05096	3.3
179.03511	6.4
179.07130	4.8
180.07448	3.9
203.03481	4.7
205.12259	7.3
223.13461	8.8
257.08099	3.4
275.25836	2.9
279.95645	2.8
299.45956	3.0
341.08789	17.9
367.17654	22.7
380.40436	3.6
387.14398	4.7
388.14398	7.2
427.19733	12.6
439.12372	9.3
490.19064	8.1
534.18188	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	534.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69284	1.0
53.48864	0.9
59.01382	51.1
61.98833	100.0
67.05589	0.8
69.15247	7.4
71.01384	11.3
72.55752	0.8
73.02946	9.5
83.01401	3.0
85.02956	2.9
87.00868	0.9
89.02447	5.1
95.01376	1.5
98.22527	2.0
101.02454	11.2
104.48884	0.8
112.62541	0.9
112.70631	0.9
113.02452	7.5
114.49049	1.0
117.03481	2.2
119.03497	2.1
119.05033	3.3
122.09806	1.2
131.03546	1.0
133.02994	2.0
135.04539	2.0
143.03496	1.6
145.02971	8.3
149.04588	3.0
161.02451	5.4
161.04541	6.3
163.04042	2.7
166.08806	2.5
177.05359	1.1
179.03542	1.2
211.07687	1.6
221.06630	2.9
223.13380	1.1
257.08228	2.2
335.59860	0.9
341.08902	2.5
356.93719	0.9
389.81833	0.9
427.19681	3.8
453.32114	0.9
534.16614	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	534.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.4
61.27653	2.2
66.92167	2.0
69.09023	2.1
70.16367	8.3
70.93473	2.2
71.01391	3.5
71.46394	2.2
80.70726	2.4
121.39968	2.3
121.90997	2.7
142.14426	2.2
148.39178	2.2
156.58133	2.4
172.56725	2.3
196.89522	2.9
213.62016	2.5
235.08263	3.0
247.48976	2.4
253.09300	9.8
255.23323	100.0
256.23782	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	534.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11708	1.4
59.01381	4.1
59.78396	1.4
61.98847	2.1
67.62975	1.2
69.07946	15.1
69.22847	1.3
71.01385	2.7
78.95900	1.6
83.01384	2.7
89.02451	2.3
101.02449	3.0
113.02412	2.9
113.31631	1.3
181.85162	1.5
196.26657	1.5
196.89687	1.4
206.01511	1.3
235.08165	2.8
253.09299	19.5
255.23300	100.0
256.23648	4.4
281.24988	3.1
305.59332	1.5
344.94318	1.3
439.31073	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.7
69.33139	1.4
69.45238	2.6
69.45650	6.8
71.01390	5.1
71.33819	1.4
72.99286	2.0
81.03456	5.6
83.05030	2.6
83.27302	1.5
85.02956	17.1
87.00883	100.0
89.02454	7.1
92.23055	1.5
93.03475	4.6
97.02983	2.3
98.21811	3.3
99.04522	8.1
101.02464	5.8
103.00368	4.4
104.84360	1.5
109.02963	2.5
111.00899	15.7
111.04550	12.2
113.02442	4.4
116.46683	1.7
127.04002	8.0
129.01959	14.0
191.05707	2.5
192.71002	1.7
193.07175	8.7
243.05127	7.3
291.07205	16.8
340.79669	1.5
360.95129	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	535.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55108	0.8
59.01384	6.2
61.98815	1.7
62.90933	0.8
62.91539	0.8
70.71529	1.5
70.71872	1.1
71.01396	3.8
73.02949	1.5
78.91881	3.1
84.30041	0.8
85.02960	2.1
89.02454	3.9
96.76840	0.7
96.96033	1.3
101.02463	2.5
109.02985	0.9
111.00813	1.0
113.02467	2.8
117.03471	2.5
118.03861	1.0
119.03513	1.3
119.05017	2.5
120.05422	1.2
121.02975	1.5
122.03705	1.3
134.03752	7.6
135.04517	2.4
145.02962	12.0
146.03329	4.3
147.04541	6.7
148.05324	17.4
149.06015	3.4
150.03224	2.7
159.04515	2.6
160.05295	15.1
161.02469	0.8
161.06073	12.4
162.03249	9.6
162.06859	0.8
163.04016	17.5
164.04456	2.4
167.10820	1.0
172.05295	1.4
173.06046	1.4
174.03300	1.0
175.07617	3.6
177.05550	4.3
178.02740	5.2
178.06302	1.5
179.05678	1.4
180.04276	9.9
187.07669	6.5
191.03461	1.5
191.07208	0.9
192.04247	1.3
193.05067	22.3
194.05791	1.9
199.04054	1.1
200.04770	2.8
201.05560	1.0
204.04276	8.2
205.05048	13.5
206.05649	1.3
207.02965	2.4
213.05600	0.9
213.09181	1.8
215.07141	8.3
219.06723	4.6
221.04532	2.1
223.86696	0.8
224.03313	2.5
229.08589	1.1
231.10326	3.4
254.04359	4.1
257.08203	9.7
263.07208	1.1
268.07370	1.6
275.09158	1.7
281.08218	6.1
283.09723	2.4
284.10611	4.3
296.10495	8.6
297.10880	1.3
299.09558	1.6
299.12866	13.1
311.09488	1.4
311.12851	7.2
314.11810	1.1
317.10446	2.3
320.77481	0.8
329.13928	47.7
330.14221	3.6
341.10327	1.1
343.11316	1.8
344.13721	1.4
345.13733	2.4
354.11035	1.3
355.11841	3.8
358.10635	1.2
373.12918	100.0
374.13223	7.4
427.69019	0.9
437.14392	2.0
438.10434	0.9
481.52127	1.0
535.16815	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	535.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69616	2.8
80.02694	3.1
86.76495	3.7
95.04938	3.3
108.02190	3.9
125.09756	7.9
132.63374	3.1
153.12833	7.2
159.86629	3.7
197.11768	7.3
209.11774	13.6
209.13541	3.4
215.12859	5.1
219.10342	4.8
219.13838	7.0
222.26790	2.9
235.13402	6.6
237.14996	12.3
263.13141	3.2
265.14490	3.6
355.22943	4.4
371.38379	3.4
397.23877	3.8
399.21564	5.5
415.25330	3.2
447.27667	3.7
454.34171	3.5
463.27292	6.6
473.25345	29.1
491.26544	100.0
492.26981	8.8
517.28052	39.4
518.28400	6.0
535.29272	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	535.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41496	0.4
62.65767	0.3
65.75449	0.3
83.01297	0.3
93.03483	0.8
117.03484	1.7
118.50715	0.3
119.05037	100.0
120.05388	2.3
131.23683	0.4
139.67448	0.3
145.02968	3.2
163.04022	97.1
164.02092	0.3
164.04373	2.9
213.51360	0.4
302.22195	0.4
443.27628	0.5
535.32764	12.2
536.33362	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79221	0.3
69.90656	0.9
93.03476	0.8
117.03475	1.1
119.05038	100.0
119.29870	0.4
120.05367	2.6
145.02939	2.6
163.04024	86.8
164.04340	2.6
184.79576	0.5
187.33574	0.4
283.66071	0.4
332.11539	0.4
535.24609	0.5
535.32782	9.4
536.33026	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06724	24.2
53.77039	21.2
69.38689	50.4
69.39111	100.0
79.77486	18.6
98.22641	22.1
100.43607	20.3
102.72345	22.5
102.73030	20.4
128.89267	20.5
140.77545	19.5
141.86150	19.3
142.15521	20.5
207.10349	49.7
221.26964	24.6
253.21841	41.2
299.15295	28.9
417.33698	59.8
535.36310	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	536.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	9.4
61.98836	10.1
65.11719	0.6
66.22530	0.6
69.03413	0.6
69.49364	4.2
71.01389	11.0
73.02942	2.1
78.91888	0.7
83.01385	1.7
85.02960	5.0
87.00893	2.0
89.02460	9.3
94.06631	24.3
95.01376	1.3
98.22440	0.9
99.00890	1.2
101.02464	6.8
106.06631	2.1
113.02460	8.8
119.03517	2.2
122.06118	2.4
124.06764	1.5
124.07690	30.4
125.08040	0.8
130.23526	0.7
131.03510	3.1
138.05615	2.4
143.03458	1.1
149.15706	0.7
152.07228	0.9
155.20860	0.7
161.04572	5.8
168.06674	100.0
169.07051	3.9
179.05621	3.0
182.08220	6.6
194.04559	0.9
210.07741	9.1
212.05688	6.1
219.27449	0.8
221.06616	4.2
254.06630	0.8
263.07684	1.4
270.09872	3.0
314.08890	1.6
330.12006	1.6
356.09943	1.2
372.13031	12.5
374.10962	3.4
386.98074	0.7
416.12012	3.3
518.15173	2.6
536.16229	40.8
537.16663	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	536.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79164	0.4
59.01384	1.6
61.98832	100.0
63.86099	0.4
69.10500	0.4
69.17376	3.7
71.01382	0.7
76.15234	0.4
77.16393	0.4
85.02996	0.5
89.93580	0.4
93.13529	0.4
101.02487	0.4
105.44651	0.4
109.02982	0.5
113.02484	0.7
121.03062	0.4
124.95634	0.4
131.07172	0.8
149.02576	0.5
163.04115	0.7
173.58948	0.4
282.09491	0.4
327.12543	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	536.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11520	0.8
57.03444	1.1
57.67001	0.9
59.01389	15.3
60.99312	2.3
61.98842	5.6
65.69473	1.1
69.15478	6.4
69.15884	1.5
71.01386	9.5
73.02956	2.2
82.02992	1.2
83.01405	2.2
84.04541	1.2
85.02975	5.3
87.00910	1.3
88.98819	8.9
89.02454	5.9
89.53139	1.0
93.03461	2.3
94.03014	1.1
95.01378	1.4
95.42220	0.9
97.02914	1.0
101.02438	4.7
109.01723	2.7
110.02499	17.8
113.02477	12.4
117.03477	21.5
118.03826	1.4
119.05042	37.5
120.05429	1.4
123.03314	1.7
124.04041	3.6
124.57999	1.0
131.05009	1.6
132.05823	2.2
133.03001	2.3
133.06618	4.1
145.02972	100.0
146.03340	4.1
147.03447	0.9
158.03741	2.6
159.04518	7.3
161.02498	1.6
161.04710	2.1
161.06082	10.8
163.04024	39.7
164.04407	1.2
166.08653	1.3
172.05348	2.5
173.06067	3.7
175.03958	1.1
177.05606	4.1
183.10498	1.1
186.03224	1.6
187.04031	49.3
187.07611	12.0
188.04367	2.8
188.08025	2.0
191.07060	1.9
196.06213	4.9
199.04028	1.6
200.04823	2.5
201.05478	1.4
203.07106	1.2
205.05070	11.4
210.07849	6.8
211.07787	1.1
213.05669	1.9
213.09193	3.1
214.06165	1.0
215.07156	13.5
216.07535	1.5
217.05109	3.3
228.04124	1.3
228.08826	1.4
229.08623	1.9
231.06613	2.8
231.10196	5.8
235.06187	4.2
257.08173	8.9
258.08594	3.1
265.07153	5.3
275.09277	2.7
300.09457	1.4
307.08313	5.4
317.10318	1.1
325.09341	19.1
326.09708	1.1
372.13037	3.5
390.14172	8.1
493.17444	3.2
536.17773	7.2
537.19714	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	536.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06726	0.8
59.01385	37.2
61.98835	100.0
68.70784	0.8
71.01384	1.5
76.02307	0.8
83.09555	0.8
84.37482	0.8
85.02977	0.8
94.02968	0.9
97.07540	0.9
98.21787	3.1
103.19768	0.8
123.08207	1.4
127.16187	0.8
129.77397	0.8
189.12910	1.9
207.14038	2.4
429.21753	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64300	1.8
52.47178	1.8
59.01386	17.5
60.84806	2.0
60.99309	16.4
61.98844	3.3
71.01382	6.1
85.02971	2.3
88.98814	100.0
89.02439	3.0
94.64037	2.2
98.21773	4.4
101.02461	4.5
110.02519	4.8
113.02492	5.0
116.40113	2.6
117.03461	4.1
118.03878	2.1
119.05021	7.0
120.05407	2.9
133.02962	3.7
145.02965	16.9
146.03317	7.2
158.03818	2.6
159.04457	5.4
161.02451	3.9
163.03957	4.8
172.05313	6.7
173.06075	7.8
175.07545	2.5
183.04424	3.6
187.04082	11.3
187.07668	29.8
188.04411	5.1
199.03955	2.5
200.04779	4.8
201.05579	3.1
202.06413	2.2
205.05098	2.4
213.09256	5.6
213.11302	4.5
215.07146	37.4
226.69839	2.4
227.03593	5.0
228.04259	2.8
229.08594	5.3
230.94830	2.2
231.06602	7.8
231.10152	12.0
255.03015	4.2
257.08197	20.8
275.09290	2.6
284.03140	6.0
358.15445	2.5
368.15570	2.7
391.14270	2.3
447.09344	9.1
493.16937	10.8
537.19617	35.4
538.19800	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38930	0.7
59.01369	2.3
59.67742	0.6
71.01376	2.0
71.05025	0.8
74.64234	0.7
77.03946	2.2
83.79385	0.7
85.02930	1.0
87.00940	0.9
93.03452	0.8
95.05015	2.4
101.02441	1.2
105.03481	11.9
109.02945	2.8
113.02509	0.7
121.02941	2.7
122.03770	1.7
123.04532	0.9
132.02174	2.3
133.02972	74.4
134.03790	13.6
135.03506	1.2
135.04541	20.6
136.04874	0.9
137.02473	12.2
139.03978	4.1
145.02974	1.4
147.04559	5.7
148.05319	64.3
149.02472	1.6
149.05638	1.3
150.03197	2.6
154.02722	1.2
160.01624	3.2
161.02473	21.3
162.03082	2.5
177.01938	16.8
178.02710	9.3
179.03525	8.5
187.07671	2.1
191.03510	5.7
194.02220	3.1
210.10307	0.9
213.09340	0.8
215.07211	0.9
231.06691	1.2
231.10213	1.2
257.08218	2.0
260.06738	1.1
262.08490	4.0
275.09418	1.7
277.07260	1.8
278.08096	1.5
279.08768	16.0
280.09122	1.0
307.08322	1.2
311.51242	0.7
379.20157	0.7
440.13257	100.0
441.13708	8.3
493.17502	0.9
537.19659	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	537.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41120	0.9
53.38672	0.9
54.52557	0.8
57.03439	1.3
59.01384	59.4
68.99799	3.9
69.14070	1.0
70.51435	2.0
70.51802	2.3
71.01382	15.0
71.05013	1.7
73.02955	3.3
80.19051	1.0
81.03461	5.6
83.01375	1.7
85.02956	6.3
87.42502	0.9
87.70556	0.9
89.02440	4.3
93.03481	1.1
93.48088	1.0
95.05021	1.3
96.92853	1.0
99.00874	2.1
99.04524	5.2
101.02445	8.0
105.03476	3.1
109.03012	1.1
113.02457	5.4
119.03484	2.2
121.02964	1.6
123.04533	2.4
125.02383	1.1
132.02200	1.4
133.02979	16.5
134.03758	3.6
135.04509	4.5
137.02429	2.6
139.04002	1.6
143.05119	1.0
145.02992	1.8
146.03722	3.4
147.04507	2.5
148.05341	10.4
156.05754	1.0
158.03719	3.3
159.04535	14.6
159.06535	1.4
161.02486	7.3
161.04533	5.4
171.04485	1.5
172.05312	23.0
173.02477	2.1
173.06061	9.1
174.03235	15.3
175.03929	1.9
177.01953	3.9
178.02695	2.6
179.03549	1.6
183.04509	3.4
184.05307	1.2
185.06053	1.9
185.09647	1.0
186.03195	5.4
187.04094	10.3
187.07649	95.7
188.07964	6.3
189.05536	8.8
197.06013	1.2
198.06847	1.2
199.03937	3.8
200.04808	5.6
201.05635	7.4
201.09224	4.2
202.06349	4.1
203.10747	8.4
204.04224	3.8
213.09198	27.1
213.11098	1.7
214.09499	1.3
215.07137	100.0
216.07509	6.7
227.03539	4.4
228.04224	4.8
229.08704	9.2
231.03059	1.8
231.06686	17.7
231.10277	19.5
239.07149	1.6
245.04558	10.2
247.09703	1.9
257.08197	61.2
258.08487	3.9
261.09781	2.8
273.07678	1.3
274.08554	1.3
275.09256	5.9
279.08606	2.5
279.11230	2.1
313.10812	1.5
440.13232	20.4
441.13739	1.4
464.09103	1.0
493.17166	45.2
494.17908	5.4
494.23892	1.2
509.20023	2.1
519.18695	4.4
537.11584	1.9
537.19800	34.2
537.31982	5.1
538.19916	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	537.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27521	0.8
58.11964	0.8
59.01390	2.2
71.01382	1.7
77.03968	0.9
82.46820	0.8
85.70816	0.8
89.02463	1.5
89.04035	0.9
90.88506	0.9
93.80161	0.8
95.05057	2.3
96.22451	1.0
101.02445	1.1
105.03474	11.6
109.02993	2.2
111.00913	1.2
119.03544	0.9
119.05011	1.0
121.02975	2.6
122.03762	2.9
123.04547	0.9
123.57879	0.7
132.02115	1.7
133.02972	70.4
134.03787	15.1
135.04539	21.7
137.02466	12.1
139.04013	3.5
143.03491	0.9
145.03003	1.4
147.04517	5.5
148.05319	65.8
149.02412	1.2
149.05673	2.3
150.03252	3.2
154.02811	0.9
159.03098	0.9
160.01706	3.5
161.02470	22.2
162.03178	2.3
163.03934	1.2
177.01953	15.5
178.02707	8.8
179.03522	8.6
187.07635	2.0
191.03525	3.9
194.02245	3.9
199.07721	1.1
201.05611	1.6
201.09158	1.3
203.03712	1.0
203.06963	1.5
203.10867	1.9
215.07187	1.0
221.19101	2.9
231.10268	1.5
257.08221	1.5
262.08505	3.8
275.09305	2.2
277.07224	2.0
278.08130	1.8
279.08694	16.2
280.08984	1.1
307.08585	0.9
357.22977	1.8
440.13260	100.0
441.13498	7.3
506.72955	1.0
518.17047	1.1
537.20020	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95438	1.1
59.01379	18.3
61.98819	3.4
68.99819	4.2
69.13358	5.4
69.13777	6.2
71.01384	8.1
73.02958	2.0
75.00858	1.5
76.04126	1.6
81.03471	2.0
85.02951	5.5
86.05212	1.4
86.25256	1.2
89.02441	3.4
98.21814	3.0
99.04552	2.6
101.02458	4.1
105.03493	2.2
111.59060	1.2
113.02446	4.3
120.99796	1.4
133.02960	11.7
158.03734	2.0
159.04514	9.7
161.02432	2.4
161.04532	1.5
162.03152	1.3
172.05296	14.3
173.06087	7.5
174.03282	2.7
175.04036	2.2
177.01886	3.6
183.04514	4.0
185.06161	2.4
186.06828	2.4
187.04103	8.1
187.07649	100.0
188.07996	7.6
189.05519	10.7
199.04027	3.3
200.04796	8.6
201.05595	7.9
201.09218	2.5
202.06364	5.5
202.10089	1.4
203.10768	2.7
211.07672	1.5
213.05797	2.0
213.09245	14.1
215.07111	38.1
216.07793	1.9
227.03493	4.3
228.04292	6.4
229.04962	1.4
229.08687	8.5
231.06656	41.5
231.10196	20.8
245.04472	2.2
246.05186	1.3
257.08200	43.0
258.08530	5.6
259.08664	2.0
275.09140	7.5
279.10858	2.8
315.12445	3.9
419.71091	1.3
440.13010	9.4
441.13599	1.5
462.98233	1.2
488.02341	1.4
493.17136	87.4
494.17453	7.9
527.54712	1.4
537.19843	39.6
537.32794	4.2
538.19952	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	537.198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13245	0.8
55.61359	0.6
56.81987	0.5
57.13443	0.6
57.14543	0.5
59.01371	2.1
61.81322	0.6
61.98828	1.0
71.01366	1.9
71.29446	1.5
75.41843	0.7
76.47002	0.7
81.05114	0.7
85.02962	0.9
89.02441	1.1
96.96019	0.8
100.19033	0.7
101.02447	0.9
108.02148	1.1
109.02963	10.4
110.02497	1.4
113.02471	1.1
119.05031	0.8
121.02986	2.5
122.03692	0.7
123.00869	0.7
123.04544	1.4
135.04507	1.4
136.01678	7.0
137.02530	1.1
143.04962	0.7
145.02962	2.3
146.03760	3.6
147.04562	1.4
150.03232	0.9
150.05637	0.9
151.04036	9.1
158.03719	1.1
159.04474	1.5
160.05377	0.7
161.02419	1.5
161.06082	2.8
163.04102	1.0
165.05504	1.0
172.05302	1.9
173.06123	1.5
175.04008	7.9
176.04735	4.8
177.05209	1.0
181.05025	0.9
188.04791	0.9
189.05627	5.3
190.06400	4.7
191.07170	8.0
203.03462	0.7
203.07137	0.8
205.08754	0.8
223.07666	0.9
239.07167	0.9
251.07158	3.2
259.36780	0.7
261.05487	1.0
262.06247	1.2
266.05862	2.2
267.06650	7.8
268.07083	0.8
278.05811	1.7
279.06647	10.2
279.09546	1.1
280.06677	0.6
281.08139	2.1
282.06375	0.7
282.09027	4.3
293.08276	1.7
294.09058	6.8
296.10568	1.4
297.07703	3.1
297.11356	13.4
309.11276	0.8
312.10086	15.4
313.10455	1.5
315.12411	1.5
327.12405	100.0
328.12698	7.9
345.13416	7.2
346.13223	0.8
346.61899	0.7
357.13519	14.8
358.13754	1.5
365.86642	0.8
375.10568	1.6
375.14615	7.1
495.25992	0.8
526.19464	0.8
537.18854	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3075
Annotation	Integristerone A 25-acetate
Peak:m/z	Relative Intensity
57.03452	37.1
59.01374	3.4
61.98827	2.6
69.03468	4.4
69.65790	3.4
85.02945	4.2
87.00877	1.0
87.04518	9.9
89.02439	1.7
95.05064	1.1
98.21879	1.3
99.04570	1.1
113.06098	4.0
119.04385	0.8
127.07655	1.9
133.02962	1.9
139.07738	1.2
148.05191	1.3
149.06107	1.5
150.06885	14.8
155.07146	3.4
161.02422	0.8
162.06886	18.0
163.07660	5.0
164.08435	3.1
168.03004	1.4
173.08200	100.0
174.08505	2.5
176.08434	1.4
177.09247	6.6
178.10014	1.4
179.10767	5.9
185.08197	3.1
187.07738	1.1
203.09283	6.9
209.11792	1.0
244.36505	0.9
292.20535	1.2
341.19778	1.5
359.20929	5.7
363.21835	2.7
407.17325	1.3
440.13202	1.8
475.40646	1.1
501.28870	1.7
519.29895	3.5
537.30768	71.0
538.30951	7.7
545.26721	1.0
550.21484	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25967	0.8
56.12210	0.9
56.45903	0.9
69.00605	8.0
78.95909	17.6
92.48882	1.0
98.21722	1.6
152.99631	3.4
168.04314	2.6
168.16296	0.8
193.89540	0.9
224.06895	6.3
242.08153	1.1
255.23331	100.0
256.23553	6.2
309.86621	0.8
347.85538	1.1
360.35599	0.9
480.31030	69.9
481.31589	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	537.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.8
73.02957	3.8
82.02985	3.6
83.01392	17.0
83.04874	2.0
98.21758	7.1
126.01975	15.7
191.05644	3.0
200.05679	18.2
200.77376	2.8
218.06726	17.7
277.21750	100.0
278.22052	6.4
435.27573	6.8
478.28171	61.6
479.28433	6.5
502.33109	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	537.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45374	0.8
54.78732	0.6
57.56807	0.6
59.01368	0.8
67.54089	0.7
91.73705	0.5
97.02901	0.6
109.06590	7.3
134.06966	0.5
154.50365	0.7
161.09673	1.1
163.11292	5.5
171.84724	0.6
181.12314	1.4
189.09274	1.6
205.34908	0.6
207.08289	1.3
207.10265	25.0
225.11349	9.0
242.54552	0.7
255.23303	100.0
256.23566	4.9
281.13837	3.1
293.24841	1.5
299.15131	4.9
316.23776	0.7
391.35724	0.8
401.34195	2.3
419.35260	2.5
420.35904	0.8
445.33292	1.2
463.34286	1.0
519.36761	0.9
537.38000	10.4
538.38080	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	538.35
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30074	1.5
57.11224	1.5
66.03486	2.1
70.25457	1.8
75.38618	1.6
78.14638	1.7
81.07099	15.4
85.06589	13.6
98.12679	1.8
107.18609	1.9
115.08770	6.1
116.07179	7.0
125.07201	1.9
126.05636	5.5
130.08751	100.0
140.07230	3.7
150.12794	2.1
168.13942	8.5
185.16615	27.0
194.11859	25.2
212.12918	90.8
229.15677	3.0
230.13985	13.5
325.21402	3.9
343.22394	96.4
344.22806	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63966	0.5
57.03439	1.6
59.01374	1.4
61.98821	0.9
62.82317	0.4
64.57051	0.4
69.03464	8.4
71.01370	1.4
71.05032	3.3
72.30026	0.4
74.25987	0.5
76.56059	0.9
78.95900	0.9
81.03435	0.5
83.05036	0.6
89.02456	0.5
95.01373	0.5
95.05001	0.5
97.02925	0.8
97.06590	1.9
98.21719	0.9
109.50968	0.5
123.08148	3.3
125.09732	5.4
137.09750	1.1
149.09688	0.7
151.11278	3.7
152.99658	0.7
153.12881	2.4
161.09729	5.3
166.30946	0.5
179.10785	14.1
180.11104	0.5
185.11803	1.0
197.11836	99.3
198.12181	4.0
209.11850	0.6
223.09738	2.2
227.03532	0.5
229.27863	0.5
241.08568	0.9
241.10841	11.9
297.13422	1.1
311.22269	0.8
315.14490	10.1
316.14841	0.6
395.24597	0.6
495.26169	4.8
512.10315	0.5
539.25018	100.0
540.25342	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	539.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56522	2.2
55.01882	2.2
55.06355	1.9
57.03458	2.1
59.01379	4.0
62.68026	2.5
68.98997	23.8
73.02949	2.5
83.01402	13.3
91.04044	2.2
98.21813	5.3
104.48663	2.3
126.01984	12.1
157.05127	2.3
168.12157	2.2
200.04085	2.4
200.05644	12.8
218.06706	11.0
242.73265	2.1
259.24194	2.1
277.21808	6.6
279.23300	100.0
280.23776	5.8
303.23325	11.7
423.23041	2.3
437.29321	3.0
480.29666	48.4
481.30179	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	541.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84256	6.7
58.08421	6.3
59.01377	45.5
61.98817	10.1
67.07671	5.9
68.80725	7.6
69.37849	47.7
71.84596	6.3
74.02470	16.9
80.09609	6.9
96.59283	7.0
109.06540	6.4
119.05037	11.6
147.04539	100.0
165.05571	93.2
203.08185	9.0
207.06671	58.0
245.09294	27.7
360.53055	7.9
541.16260	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	541.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06157	10.0
58.91922	10.4
59.01370	18.3
69.76131	37.4
69.76541	25.9
71.01394	71.1
76.64268	10.9
84.02220	12.3
85.02955	43.3
89.02430	11.6
98.21834	17.0
101.02430	27.1
113.02432	24.0
115.04012	44.5
161.04546	24.3
233.10286	21.9
277.09232	100.0
527.68079	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	541.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	84.2
69.19649	7.9
69.19985	51.4
71.01387	74.4
71.80273	5.0
72.26134	5.1
73.02946	10.1
83.01376	5.4
85.02961	22.3
87.00869	6.1
88.98815	7.4
89.02449	54.5
95.01330	6.1
97.02943	6.6
99.00873	10.3
101.02462	45.7
111.00878	8.2
113.02440	23.7
117.03504	7.4
119.03501	13.8
119.05031	7.6
121.02960	10.4
131.03539	12.1
145.02962	22.7
149.04532	17.5
161.04585	14.3
161.06041	10.0
163.04016	16.7
187.13399	10.0
191.05727	8.4
205.05069	8.8
217.05173	7.2
254.96454	5.9
265.07135	11.3
338.00650	6.1
349.18710	80.1
350.19092	6.0
367.86835	6.4
438.91797	6.6
481.22961	100.0
482.23511	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	541.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50059	2.3
57.93798	2.5
58.00624	2.2
59.01387	85.2
61.98840	6.5
69.36182	19.8
71.01385	82.1
72.99297	4.4
73.02941	8.6
74.44675	2.2
83.01399	4.6
85.02950	11.7
88.98785	8.0
89.02454	100.0
93.03424	3.3
96.96036	7.5
97.88266	2.5
98.21765	5.6
101.02456	55.6
113.02448	17.8
118.11581	2.5
119.03472	7.7
119.05019	4.8
131.03516	32.5
133.03032	5.0
135.04561	4.7
145.02979	8.1
149.04572	90.9
155.07124	3.5
155.82333	2.7
170.01276	2.8
191.05615	12.9
201.01875	4.8
217.01442	4.0
229.01332	2.8
233.05948	2.9
249.05576	4.2
254.47882	3.3
261.05511	3.4
265.04932	3.1
277.05054	18.0
289.04993	5.3
293.04498	3.2
305.04605	20.1
306.05020	4.2
311.09778	3.6
334.04770	10.8
335.05649	8.0
343.09290	2.8
350.04263	5.2
378.03754	36.3
379.04614	48.7
497.10812	4.1
541.09760	38.9
541.16809	4.0
542.10175	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	541.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	6.0
59.01382	34.5
61.98813	24.1
70.79274	13.0
71.01383	13.3
81.14880	5.6
85.02973	8.2
86.97877	5.4
87.00867	10.4
97.02922	8.2
102.29314	5.1
109.06614	41.5
113.02415	6.9
113.03986	5.1
133.02969	22.2
135.04541	12.9
135.08154	19.6
151.07561	6.9
163.11296	19.6
177.02045	5.9
179.10704	7.8
181.12296	8.1
191.05615	19.9
207.10245	58.2
225.11334	53.8
277.18231	6.3
305.17496	7.9
315.00992	22.8
436.66278	6.2
443.14740	7.6
444.15161	25.4
497.31183	15.3
506.56390	6.7
523.32782	16.4
541.34143	100.0
542.33972	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	541.325
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.5
60.99312	15.2
61.98819	1.0
67.54896	0.4
70.71213	1.1
71.01369	1.8
73.02944	0.5
78.95905	1.8
78.98590	0.8
79.95757	1.1
80.96528	6.6
81.03492	0.5
85.02952	1.1
87.00868	1.2
88.00407	0.8
88.98811	100.0
89.02445	5.4
89.99144	0.7
94.98096	1.8
96.95992	0.4
97.02962	0.6
101.02450	1.0
104.76203	0.4
106.98089	0.6
109.06615	1.8
119.05008	0.8
134.97556	0.7
145.02977	0.4
147.04401	0.4
148.99136	0.8
152.98561	0.5
152.99603	1.0
161.02461	0.4
161.06076	0.5
163.03981	0.7
163.11269	0.7
163.71579	0.5
164.98645	1.5
197.11876	1.5
207.10272	1.4
208.91736	0.4
225.00720	2.3
225.11203	1.0
241.01140	0.8
241.10851	0.5
257.08127	0.5
260.52411	0.4
304.13000	0.4
411.13577	0.5
422.02609	0.4
445.71185	0.4
541.16174	14.7
541.28357	0.7
542.16602	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	541.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14315	3.6
57.47656	3.8
69.78421	10.3
69.78825	14.9
71.56293	5.0
83.01400	12.8
96.63394	4.2
98.21810	4.6
106.71364	3.9
126.01985	9.0
179.64903	4.7
200.05620	11.5
218.06757	11.0
229.79030	4.1
281.24890	100.0
282.25406	6.3
306.86746	4.5
352.84073	4.5
439.30652	5.5
482.31226	42.2
483.32309	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	542.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33049	0.4
58.88824	0.5
59.91465	0.4
61.98835	100.0
69.69537	1.9
138.51904	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92380	0.9
61.98835	100.0
70.49670	3.2
70.74651	0.9
72.92210	0.8
81.05438	0.9
95.70644	1.0
97.95815	0.9
177.64636	0.9
305.61298	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.6
57.22564	1.3
59.01384	12.7
60.24006	1.4
61.98833	24.8
69.55425	6.9
71.01377	2.4
71.05012	3.8
73.79613	1.3
79.30748	1.3
89.02439	2.4
95.05029	1.8
97.02952	5.3
97.06592	3.5
99.00283	2.5
99.00892	37.6
101.02448	3.3
119.10925	1.6
123.08092	2.2
125.09731	12.7
138.02066	1.6
142.02695	2.5
163.11342	8.1
173.04573	2.1
181.12384	15.8
182.61452	1.5
191.05608	6.5
197.11754	2.3
199.13394	8.4
207.10265	41.8
225.11331	75.1
226.11639	2.1
243.12383	65.3
244.12657	2.3
248.54089	1.5
253.09230	2.8
289.18073	8.0
296.89792	1.5
307.19263	6.5
317.16022	27.3
480.12869	1.5
525.27173	4.0
543.28094	100.0
544.28296	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	544.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.1
61.98837	100.0
69.60487	0.8
69.60890	1.8
71.01407	1.3
71.81818	0.4
85.03004	0.7
89.02465	1.1
101.01871	0.4
101.02505	0.6
103.82098	0.4
119.05089	0.6
127.39037	0.4
145.02982	0.6
146.00192	0.4
153.84315	0.4
174.35518	0.4
231.44440	0.4
459.64874	0.4
465.01157	0.4
484.24374	0.9
544.17065	0.4
545.19849	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11977	0.4
59.01390	1.4
61.98834	100.0
62.98492	0.4
67.01903	0.6
69.08281	2.8
69.08681	1.1
71.01379	0.9
84.08353	0.4
85.02940	2.0
87.00877	1.1
91.79059	0.4
93.03465	4.1
108.02187	0.5
111.04545	1.0
127.04093	0.6
130.80429	0.5
132.77072	0.4
133.05228	0.4
137.02426	0.7
138.02002	3.3
163.23595	0.4
171.02983	0.5
173.04575	3.9
177.01971	1.2
186.06975	0.4
187.07777	1.1
189.04095	0.5
191.05634	21.0
200.04756	0.7
203.07164	0.5
207.88251	0.4
215.07133	10.0
224.63608	0.4
225.11401	0.8
253.09335	0.8
290.18680	0.7
307.19217	0.6
308.19562	0.7
486.31161	0.6
544.28632	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83464	1.0
59.01384	14.4
60.99312	16.1
61.98826	4.0
65.23632	0.9
70.10493	0.9
71.01393	5.9
71.31741	2.1
73.02937	2.8
82.53358	1.0
85.02961	3.0
87.00849	1.2
88.98813	100.0
89.02446	3.9
92.07030	1.0
94.67080	1.0
96.96044	1.4
101.02451	3.5
107.05039	1.2
113.02447	3.6
119.04993	1.2
121.03004	1.4
145.02950	1.7
161.04585	1.8
163.04027	1.9
179.05606	1.3
191.05614	3.1
255.02567	1.0
295.23376	1.0
300.02728	1.4
301.03629	1.3
356.61899	1.2
463.08569	1.4
485.23767	3.2
527.16846	1.7
545.18463	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54665	0.9
59.01376	6.9
60.99306	15.7
71.01386	1.7
71.03484	1.9
72.30652	1.1
85.02966	2.8
88.98811	100.0
93.03445	1.6
101.02426	2.5
120.69659	1.0
139.07698	1.0
173.04520	1.9
178.10126	1.0
182.24026	1.0
191.05612	14.5
275.47958	1.0
353.13882	2.2
417.24841	1.7
417.34125	1.2
545.29700	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	545.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.8
59.01377	3.8
60.99293	0.4
61.52647	0.5
61.98819	1.3
67.01887	1.7
69.03446	0.5
70.94788	0.5
70.95129	0.8
71.01379	2.9
73.02933	1.0
75.00854	0.4
81.03458	0.5
83.05036	1.2
83.78867	0.4
85.02959	12.7
87.00887	3.9
88.98815	0.7
89.02431	0.8
93.03468	11.0
94.03791	0.5
96.96029	0.4
97.02966	0.4
99.04516	0.5
101.02436	0.7
109.02968	1.2
111.04536	2.3
113.02462	1.0
115.59394	0.4
115.86806	0.4
119.05077	0.6
125.02543	0.5
126.90437	0.8
127.04045	2.9
137.02466	0.7
147.15216	0.5
147.98795	0.4
155.03468	0.6
161.02374	0.6
171.03046	0.9
171.10197	0.5
173.04555	6.0
191.05627	100.0
192.05997	2.5
200.08453	0.8
211.03883	0.4
211.07523	0.6
212.40567	0.4
225.09187	1.2
227.03429	0.7
233.06601	1.4
239.07076	0.5
251.10651	0.9
253.08829	0.6
254.09331	0.5
255.13914	2.9
257.08405	0.6
280.10815	0.6
281.07932	0.6
281.15466	0.4
282.08987	0.5
283.13373	2.1
295.09717	1.1
309.15051	1.1
311.12878	1.4
312.24246	0.5
324.10046	0.6
325.14413	0.9
327.12430	0.8
327.16104	0.9
353.13980	12.3
354.14206	1.1
371.14972	2.6
405.35422	0.4
501.17535	0.5
527.19373	1.3
545.20282	1.6
545.29309	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.3
57.20153	0.2
59.01382	2.0
61.98819	0.7
67.01892	0.7
67.02229	0.2
69.03460	0.4
71.01397	1.6
73.02946	0.4
77.35461	0.2
81.03426	0.5
83.05036	0.4
85.02960	10.7
87.00889	2.6
89.02469	0.2
91.41305	0.2
93.03466	5.1
95.01392	0.6
99.04527	0.5
101.02451	0.4
105.93607	0.2
107.05049	0.2
109.02953	0.8
111.04538	1.5
113.02491	0.5
127.04032	2.9
135.04562	0.5
137.02534	0.2
155.03549	0.3
158.07378	0.3
171.03001	0.7
173.04593	2.2
173.06021	0.4
183.04489	1.0
185.06013	0.2
191.05626	100.0
192.05986	3.0
193.91870	0.2
196.05324	0.2
197.06108	0.5
198.03264	0.4
199.04056	0.4
200.27206	0.2
203.07224	0.3
211.03989	1.3
211.07411	0.3
213.05568	0.2
221.79146	0.2
224.04767	0.4
225.05547	1.4
226.02739	1.0
226.06158	0.4
227.03520	1.9
227.06981	0.2
227.10757	0.2
229.08823	0.2
233.06528	0.2
237.05620	0.7
239.03485	0.4
239.07123	0.4
240.04385	0.2
241.45074	0.2
251.07549	0.2
251.10747	1.0
252.07922	0.5
253.05090	0.8
253.08733	2.0
254.05637	0.2
254.09328	0.2
255.03014	0.8
255.06566	0.5
255.13910	1.6
265.08606	0.2
267.06696	0.3
267.10333	1.0
268.10971	0.9
281.04602	1.0
281.08209	1.2
281.12540	0.3
281.15546	1.3
283.13547	1.1
284.03220	0.6
285.04041	0.6
295.09729	1.2
296.10489	0.7
297.15036	0.2
307.13519	0.3
309.14978	2.1
310.15536	0.2
324.10040	1.7
325.14459	1.5
327.15921	0.3
335.13116	0.5
353.13953	22.0
354.14334	2.0
371.15082	1.5
447.09744	0.3
484.27261	0.2
545.20911	1.5
545.33679	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.3
59.01381	2.9
59.88530	0.3
61.98822	0.4
67.01881	1.2
69.02521	2.3
69.03455	0.5
71.01392	2.1
73.02956	0.5
81.03469	0.4
85.02960	11.2
87.00882	3.0
93.02883	0.4
93.03470	8.0
94.03773	0.3
95.01382	0.5
96.96029	0.3
99.00951	0.3
99.04509	0.6
101.02454	0.5
109.02984	0.9
111.04517	1.8
113.02438	0.3
116.92887	0.7
127.04018	2.4
135.04489	0.4
137.02379	0.3
153.77022	0.3
155.03508	0.5
158.07399	0.3
171.03008	0.6
173.04584	3.7
183.04555	0.9
186.06827	0.5
191.05630	100.0
192.05989	2.3
193.32748	0.2
197.06091	0.6
198.03319	0.3
199.04007	0.4
211.04085	1.0
211.07578	0.4
214.06310	0.3
215.07121	0.7
217.64919	0.2
224.04814	0.6
225.05602	0.9
226.02756	0.7
226.06369	0.4
227.03540	0.7
227.07167	0.3
229.08652	0.5
233.06680	0.5
237.05557	0.6
239.03497	0.4
239.07111	0.5
251.10825	0.9
252.08107	0.4
253.05026	0.5
253.08833	1.9
253.11403	0.2
255.06633	0.5
255.13997	1.3
256.07477	0.8
267.10190	1.2
268.11115	0.8
273.12286	0.3
279.10281	0.3
281.04645	0.7
281.08200	1.1
281.11725	0.3
281.15451	0.9
283.13513	1.3
295.09671	1.2
296.10373	0.6
309.14954	1.6
309.20761	0.6
311.12698	0.3
321.17981	0.3
324.10089	1.7
325.14532	1.5
327.12305	0.3
327.16025	0.5
335.12881	0.5
353.13971	20.8
354.14371	1.5
371.14999	1.3
545.20502	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	545.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.7
59.01392	2.7
60.99298	1.3
61.98832	0.7
67.01897	3.6
67.02615	0.3
67.62608	0.4
69.03448	0.6
70.34253	0.7
70.34612	0.7
71.01378	1.6
73.02938	0.7
81.03445	0.8
83.05024	0.9
85.02956	9.3
87.00877	6.3
93.03468	23.3
94.03831	0.5
99.04537	0.9
109.02948	1.2
111.04529	3.6
113.02451	0.8
127.04033	2.1
129.01906	0.5
136.01659	0.5
137.02469	0.9
154.02737	0.7
155.03534	1.1
158.07404	1.9
159.04538	0.7
171.02965	1.0
171.04443	0.6
173.04578	12.6
173.05954	0.6
174.04892	0.6
183.04510	0.7
185.06097	0.7
186.06870	2.7
187.07628	1.6
189.09299	0.5
191.05635	100.0
192.05948	2.7
197.11859	0.5
199.04028	0.8
200.04749	1.4
200.08461	0.5
201.05573	0.9
201.09227	0.5
202.06300	0.4
212.08432	1.0
213.09169	0.4
214.06380	1.6
215.07155	12.4
215.09233	0.7
216.07544	0.6
227.03485	2.1
227.07243	0.4
228.07910	2.0
229.08632	1.3
230.09486	0.5
231.10225	0.4
232.03818	0.6
233.06627	2.6
253.09302	0.7
255.06706	1.5
256.07434	14.1
257.07819	1.2
274.08435	0.7
292.39676	0.3
309.20731	1.0
327.15982	0.4
353.14023	1.2
371.15036	0.5
419.13651	0.4
448.14114	0.3
494.32260	0.3
545.20276	2.6
546.20892	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.204
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25767	0.3
57.03431	0.6
59.01382	2.8
60.99301	1.1
61.98818	1.0
67.01904	1.3
69.03445	0.7
69.18717	0.6
69.19134	1.7
71.01384	1.8
71.04963	0.3
73.02950	0.5
75.00903	0.4
76.76885	0.3
81.03466	0.6
82.95415	1.1
83.05032	0.8
85.02953	11.3
87.00887	3.8
87.38322	0.3
88.98804	5.0
89.02438	0.4
93.03468	9.2
98.21767	0.6
99.04552	0.7
100.11882	0.3
101.02441	0.8
109.02963	1.0
111.04527	1.5
113.02453	0.7
115.04015	0.4
124.10413	0.3
127.04025	2.2
127.28960	0.3
132.02768	0.2
135.04475	0.3
137.02431	0.5
137.06073	0.3
141.09227	0.4
149.06064	0.3
152.23076	0.3
154.91455	0.3
155.03476	0.4
171.03014	0.8
173.04561	5.1
173.08220	0.9
187.07622	0.3
191.05630	100.0
192.05983	2.8
200.08444	0.3
207.72749	0.3
211.07678	0.5
215.07094	0.4
225.09227	1.5
226.06432	0.3
233.06644	0.8
237.05640	0.3
239.07153	0.4
251.10793	0.6
253.08659	0.7
254.09521	0.4
255.13902	3.6
257.08188	0.3
265.08707	0.3
267.10138	0.5
269.11740	0.3
279.10318	0.4
280.11304	0.3
281.15500	0.5
283.10608	0.3
283.13382	2.1
295.09821	0.5
299.13055	0.4
309.14948	1.1
311.12973	1.3
324.10034	0.6
325.14365	0.4
327.12411	0.7
327.16098	1.1
353.13956	11.4
354.14197	1.1
371.15018	2.6
372.15787	0.3
417.25043	0.4
501.17599	0.6
501.30545	0.8
527.19513	0.7
527.28662	0.4
545.20410	2.1
545.29810	1.4
546.20776	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30722	10.9
52.23005	10.6
56.15292	10.1
59.01381	33.1
67.98973	15.9
70.07979	12.8
70.08305	43.4
71.01381	49.1
75.60863	13.1
89.02462	42.6
98.22499	18.3
101.02455	23.7
113.02415	17.7
119.03539	16.5
201.59311	11.4
228.87903	13.1
241.59007	11.0
279.10873	100.0
301.08865	13.1
477.24161	13.8
495.69254	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	545.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56303	0.6
57.03449	0.9
58.92446	0.6
59.01382	16.5
60.99296	2.7
61.98829	7.8
65.47647	0.7
67.01894	7.0
69.03452	3.4
71.01383	13.8
72.60659	0.7
73.02943	2.6
81.03465	1.7
81.64937	0.7
83.01385	1.1
83.05013	1.8
85.02953	10.4
87.00877	12.2
89.02457	9.7
90.86671	0.7
93.03465	43.4
93.55260	0.7
94.03795	1.7
95.01403	0.9
99.00874	1.7
99.04530	1.5
101.02455	11.9
109.02975	1.6
109.06617	1.0
111.04533	6.6
111.08173	10.6
113.02442	6.1
119.03515	2.4
127.04013	2.0
129.01939	1.1
137.02463	2.0
143.03520	1.8
155.03523	1.4
161.04581	3.9
169.12357	3.7
171.02997	1.2
173.04570	27.4
173.05965	1.4
174.04974	1.0
174.27142	0.8
179.05592	1.7
181.12408	0.8
186.06862	2.4
187.07610	1.9
190.90768	0.8
191.05621	100.0
192.05971	2.3
197.11838	49.3
198.12158	2.0
199.13428	3.5
211.13367	4.9
214.06313	3.1
215.07146	9.7
227.12973	1.4
229.08739	1.9
233.06679	6.7
253.09294	43.0
254.09605	1.5
255.06581	1.3
256.07468	3.7
263.20160	2.7
265.18082	1.6
273.18481	1.0
291.19696	13.9
292.20255	1.1
309.20721	50.2
310.21088	4.5
317.64566	0.7
328.26349	0.8
330.77802	0.8
353.13791	1.9
447.13196	0.8
453.73145	0.8
503.90347	0.7
505.49350	0.7
539.37775	0.7
545.20233	6.9
545.28345	1.0
546.21582	1.1
557.56818	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98373	1.4
52.14847	1.0
52.26967	0.9
55.01868	1.0
55.62745	1.1
57.03452	34.8
59.01382	15.6
60.99298	4.9
61.98829	4.8
67.01894	1.8
69.03451	4.7
71.01382	9.1
71.32006	1.7
72.99300	1.2
73.02949	5.5
75.00871	3.0
81.03457	2.4
82.95416	4.2
83.05030	4.9
85.02962	12.7
87.00886	4.5
87.04514	8.4
88.98814	26.2
88.99363	1.5
89.02468	3.6
93.03469	11.9
95.05040	1.8
96.96033	2.4
99.04535	2.7
101.02467	3.3
101.06091	2.5
101.14004	1.0
109.02946	1.2
111.04523	13.4
113.02461	3.6
113.06091	4.0
113.09790	2.0
119.03499	1.9
119.05043	1.9
123.08173	1.4
125.40166	1.0
126.03163	1.2
127.04053	2.4
127.07687	2.7
133.03041	1.2
134.03740	1.0
135.04553	1.8
139.07674	2.8
141.09229	28.0
145.02893	1.3
155.03552	1.2
155.07138	3.4
157.08736	1.5
161.04665	1.2
163.04037	2.0
173.04601	4.4
173.08194	100.0
174.08568	2.0
177.02048	1.1
185.08186	2.0
191.05640	57.3
192.05963	3.6
203.09270	5.5
211.07750	2.0
273.18475	1.5
283.13260	2.2
309.14960	1.5
311.13062	1.7
327.21667	1.8
341.23868	1.2
353.13916	12.9
353.19720	3.9
359.20547	1.3
371.15115	3.4
371.20728	2.4
415.23456	11.2
417.24976	7.9
501.30746	13.9
502.30984	1.8
527.28632	47.5
528.29193	2.7
528.44617	1.2
545.29797	53.7
546.29993	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	545.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02186	0.9
52.98448	0.8
55.01874	1.4
57.03445	2.1
58.00592	1.2
59.01386	22.9
60.99308	2.6
61.98844	4.8
67.01892	5.1
69.03469	2.8
71.01383	16.8
71.29742	1.6
71.30097	1.3
73.02955	3.5
81.03452	2.2
82.95411	7.8
83.01396	1.8
83.05033	3.6
84.95135	6.2
85.02962	12.6
87.00878	9.9
89.02466	12.7
93.03470	35.2
97.02957	1.1
99.00911	2.1
99.04546	1.4
101.02457	12.5
106.19201	1.1
111.04535	4.5
111.08180	18.4
113.02448	7.9
119.03531	3.9
124.35342	0.9
127.04012	2.4
143.03505	1.3
151.11214	1.6
153.12856	1.2
155.03551	1.3
159.04523	1.0
161.04527	7.4
169.12344	7.1
173.04567	21.7
173.06042	1.8
179.05609	3.0
181.12317	1.3
186.06900	2.8
187.07703	2.2
191.05637	82.6
192.06015	1.8
197.11850	92.2
198.12164	3.5
199.13449	5.5
201.09267	1.6
207.10484	1.2
207.13882	1.2
211.13408	8.7
214.06364	1.9
215.07184	6.9
225.14946	2.8
227.03548	1.2
227.12938	3.3
229.08623	2.3
233.06731	2.7
235.08197	1.3
247.16989	1.1
253.09320	46.9
254.09642	2.5
256.07388	7.5
263.20169	5.3
265.18094	3.3
273.18674	1.4
291.19675	28.7
292.20010	2.5
309.20755	100.0
310.21045	5.5
334.82767	1.2
353.13986	2.4
448.13501	1.2
503.32504	1.4
545.20508	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	547.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.6
59.01382	17.8
61.98822	2.3
69.03449	1.2
69.15596	9.2
69.94376	1.0
70.04195	1.0
71.01389	10.1
73.02943	1.8
78.76488	1.0
80.40475	1.0
81.03448	1.8
83.01418	1.3
85.02962	3.7
87.00904	1.9
89.01980	1.4
89.02446	7.6
95.05032	2.3
97.02956	13.1
97.06605	2.4
101.02452	9.3
102.79436	1.0
103.06869	0.9
113.02456	4.4
119.03483	2.5
123.08144	2.4
125.09749	1.2
133.05078	1.1
146.03600	1.0
161.04553	3.3
163.11383	1.4
169.46930	0.9
179.14444	3.8
205.12343	4.3
223.13396	100.0
224.08086	1.1
224.13680	4.8
227.07103	1.7
249.11377	2.6
253.09300	8.8
255.03052	1.2
267.12378	7.8
341.15820	1.3
369.88852	1.0
408.91272	1.0
503.21384	80.4
504.21515	7.9
547.20392	33.6
547.27704	2.0
548.21057	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	547.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36634	2.7
55.01888	3.6
57.03443	4.9
58.00599	5.5
59.01383	100.0
60.99310	6.8
61.98839	6.8
69.07030	14.3
69.07458	14.3
71.01389	87.5
72.84027	3.0
72.99315	5.3
73.02951	14.5
73.16393	3.2
80.96571	2.7
83.01399	9.4
85.02974	20.7
87.00895	13.6
88.25732	2.7
88.98809	39.0
89.02452	89.7
93.40343	3.1
95.01393	7.3
95.05058	4.3
96.96014	6.4
97.02968	12.0
99.00931	3.5
101.02455	72.8
101.03120	5.1
106.04237	3.4
113.02458	53.0
119.03526	33.6
125.02453	3.1
125.43753	3.0
131.03497	15.9
135.04520	2.9
135.11798	3.6
141.09274	4.0
143.03539	9.9
143.68913	2.8
161.04590	34.6
161.09801	15.1
179.05635	80.1
179.10811	63.6
205.08810	3.5
205.12460	4.2
221.06677	47.0
223.09846	7.0
223.13408	74.1
249.11055	2.9
253.09367	19.3
263.07724	47.7
267.12375	9.2
285.03879	2.8
367.11844	3.7
407.92673	2.9
415.19751	3.1
427.16135	5.4
468.55338	3.9
475.54825	3.6
503.21402	78.8
503.32721	5.8
504.21448	6.6
529.29761	6.0
547.20251	33.4
547.28381	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	547.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.7
57.03456	2.9
58.00600	2.7
59.01385	68.0
61.98836	6.5
69.03449	1.9
69.07321	8.5
69.07742	3.7
71.01392	55.6
72.99319	3.6
73.02953	12.2
81.03466	3.1
81.34341	1.2
83.01392	6.9
83.05045	3.6
84.95118	2.1
85.02962	21.8
86.00122	2.3
87.00892	12.0
88.98815	1.4
89.02452	51.9
93.03449	1.7
95.01411	5.2
95.05022	1.8
97.02967	1.2
98.22544	2.5
99.00877	4.6
101.02451	39.2
106.04251	2.6
109.06618	1.7
113.02464	31.9
119.03513	21.4
119.05013	2.5
125.02451	1.8
131.03503	12.9
135.11815	7.0
143.03525	5.3
149.04619	1.4
159.02974	3.5
159.08209	2.5
161.04567	28.9
161.09741	12.7
179.05630	51.3
179.10796	100.0
180.05949	1.5
180.11143	4.9
203.05743	1.9
203.10902	1.5
205.08713	3.1
221.06685	47.8
221.11804	2.6
223.09785	15.0
229.08640	2.3
234.73189	1.1
251.34377	1.1
255.06482	1.8
263.07730	29.6
264.08167	1.4
265.10837	3.9
268.14667	1.4
287.19653	1.3
313.19214	1.3
349.11996	3.3
383.17102	2.5
385.15082	3.8
427.15988	9.5
516.46783	1.3
547.20386	32.6
547.27911	2.3
548.20575	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	547.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64719	1.5
59.01390	14.7
60.38413	1.4
65.77741	1.6
69.28679	5.4
69.29092	7.7
75.25784	1.6
89.02457	2.1
101.02473	2.5
152.80386	1.6
233.19167	1.8
251.20177	100.0
252.20558	4.6
253.09300	11.4
268.27423	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	547.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
56.24307	0.5
57.03451	1.7
57.45264	0.4
59.01384	100.0
60.01730	0.6
61.98838	4.9
62.82170	0.5
64.15144	0.5
66.14159	0.4
68.99827	1.1
69.00215	5.1
69.03465	0.9
71.01388	19.1
72.99303	1.2
73.02953	4.5
73.34258	0.4
83.01392	3.4
83.05000	0.5
85.02957	10.8
86.00116	0.7
87.00880	2.4
89.02440	3.4
93.03479	2.4
95.01419	2.0
97.02970	1.2
99.00880	2.9
101.02451	12.0
111.00893	0.6
113.02461	11.7
115.07661	1.0
119.03526	1.8
124.01684	0.6
125.02484	2.3
133.02974	1.5
134.03889	0.6
143.03517	2.9
159.03021	1.5
161.02533	0.8
161.04570	6.3
163.53967	0.5
173.04651	1.4
177.01958	0.6
187.04051	0.7
187.07800	0.7
191.05623	3.8
192.06084	1.3
193.06157	1.0
199.07932	0.5
200.04846	0.5
201.05638	0.8
208.47113	0.5
213.75601	0.4
215.07175	1.7
229.08876	1.2
237.22362	1.4
243.06458	0.6
255.06833	0.6
265.41840	0.5
295.26401	0.9
313.27667	0.6
325.27606	1.7
341.27112	0.9
343.28583	10.6
343.32550	0.8
344.29077	0.8
385.26068	0.7
450.16098	0.7
487.32794	22.1
488.33273	1.9
505.33884	18.0
506.34769	2.0
547.22186	1.1
547.31879	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
65.01354	0.8
65.68452	0.8
70.05360	3.4
80.96530	5.1
94.98096	1.4
129.67297	0.8
164.98616	0.9
182.90753	0.8
304.87030	0.9
480.97690	0.9
549.23901	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	549.0894
Annotation	Quercetin 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
59.01390	5.5
61.98814	1.9
71.01376	4.5
85.02959	4.1
87.00870	1.6
89.02454	4.0
96.96017	2.7
101.02442	3.5
107.01390	3.8
108.02197	3.0
109.03015	2.2
111.00867	2.4
113.02424	3.1
119.05080	1.7
129.01973	3.9
133.03011	1.8
134.03786	2.1
135.04579	1.9
147.04529	1.8
151.00394	11.1
158.03787	1.8
159.04500	1.8
161.02402	2.7
163.00317	3.1
163.04034	3.5
178.02716	2.8
178.99936	4.9
179.03528	2.4
182.70523	1.8
187.07695	3.5
193.05081	4.8
201.05495	2.3
213.09268	3.5
215.03499	2.2
215.07146	6.7
227.03464	4.9
229.19356	1.8
231.06432	2.1
231.10278	2.9
243.03072	9.0
255.03064	29.0
256.03336	2.2
257.08148	5.8
271.02499	51.9
271.05609	1.8
272.03058	2.7
283.02606	2.0
300.02783	100.0
301.03510	46.9
313.11072	2.5
353.59476	1.6
387.10745	10.7
463.08618	3.0
505.09918	61.3
506.10089	7.5
515.63336	1.9
541.33698	1.9
549.16180	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	0.8
70.48896	1.2
77.03977	1.5
109.44728	0.4
121.02968	100.0
122.03303	2.6
124.40339	0.3
137.02509	0.4
165.01942	54.7
166.02283	1.2
180.05833	0.9
181.06628	2.8
197.06073	2.2
207.04524	0.8
225.05663	1.7
257.09763	0.6
257.79343	0.4
313.07303	1.5
317.79959	0.4
357.06137	0.9
368.95126	0.4
383.07825	0.8
417.09814	2.6
482.08728	0.4
505.11609	1.6
549.10431	24.9
550.10724	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62765	1.9
55.01876	4.4
57.03451	2.7
58.00591	2.1
59.01096	2.1
59.01384	25.3
68.99822	5.6
69.03456	1.8
70.52421	1.6
71.01390	19.9
72.99303	2.9
73.02935	4.8
74.76153	1.7
81.03467	3.9
83.01390	4.8
85.02956	33.8
87.00889	5.6
89.02459	11.2
95.01389	3.6
97.02967	3.5
99.00899	6.3
99.04505	5.9
101.02454	18.3
105.03459	5.8
109.02965	3.9
111.00883	15.1
111.04510	2.1
113.02456	15.2
117.03462	3.5
119.02589	1.8
119.03487	3.1
119.04970	2.3
121.02966	5.2
121.34547	1.7
123.04538	9.4
127.04006	5.9
128.01112	3.7
129.01958	50.2
131.03520	2.2
132.02184	3.8
133.02966	54.5
134.03792	15.6
135.04539	20.3
137.02444	12.2
139.04018	5.5
145.02946	3.9
146.03780	1.9
149.02461	3.5
149.06053	2.7
151.03983	4.1
158.03772	2.1
159.04514	6.8
160.01643	6.4
161.02460	37.5
161.04546	4.1
163.04028	3.7
171.03018	1.9
172.05304	18.6
173.06058	6.2
174.03206	1.7
175.04016	5.4
177.01927	12.9
177.05537	3.4
178.02730	15.5
179.03508	23.6
179.05067	2.3
179.05710	2.9
181.12354	7.9
183.04532	4.2
186.03229	2.1
186.06874	2.4
187.04117	10.4
187.07663	100.0
188.08026	4.0
189.01999	2.3
189.05609	14.4
195.02997	5.7
199.03990	5.9
200.04831	9.6
201.05588	9.0
201.09212	2.4
202.06325	5.9
203.03558	8.6
204.04230	3.7
207.10399	2.6
211.07568	3.1
213.09219	14.8
215.07179	27.8
220.03781	3.8
221.06694	2.3
225.11240	3.7
227.03566	11.1
228.04253	7.7
229.08746	12.1
231.06642	43.3
231.10168	14.6
232.06929	2.8
236.20494	1.8
243.06439	1.8
245.04465	2.6
257.08212	76.7
258.08636	3.9
263.07742	2.3
273.07693	5.6
275.09277	30.9
277.01205	1.7
281.06659	4.0
291.07324	2.7
299.09338	4.6
317.10245	6.1
327.21759	5.2
333.09763	6.7
339.07355	2.8
340.08133	2.3
341.08514	10.6
375.10864	4.5
377.12549	3.1
387.23727	4.9
393.12079	6.5
408.10541	5.4
414.12253	1.8
436.10031	2.2
437.14581	3.2
451.08136	2.3
452.09549	22.2
461.14258	12.9
505.12811	9.9
536.20135	2.2
549.15723	18.5
549.29388	7.0
550.16241	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02349	1.4
55.01859	2.6
57.03457	2.4
59.01371	5.8
61.98812	1.7
65.61831	1.3
69.62198	8.1
70.63914	1.6
71.01389	7.1
73.02939	2.2
77.03969	1.8
80.68590	1.2
83.01391	4.6
85.02952	23.1
87.00875	3.8
87.52975	1.4
88.32003	1.5
95.05035	3.9
98.22466	1.9
99.00882	4.3
99.04528	3.8
101.02440	13.1
105.03474	11.6
109.02940	4.3
111.00895	9.3
113.02451	5.9
117.03466	1.2
119.05048	1.8
120.29861	1.2
121.02952	3.8
122.03825	1.6
123.04540	4.7
127.00323	1.9
127.04035	3.0
128.01163	4.6
129.01953	70.6
130.02243	1.5
132.02194	9.5
133.02968	100.0
134.03767	33.5
135.04543	33.4
137.02448	23.0
139.04022	6.9
147.04492	2.9
149.02451	1.5
149.06091	2.0
150.03217	4.4
151.03978	2.3
159.04456	2.2
160.01674	9.1
161.02460	43.9
162.02916	1.5
175.04077	6.4
176.04832	1.8
177.01942	31.7
177.05550	5.0
178.02731	32.1
179.03513	37.1
187.07750	2.4
189.05548	2.3
194.02205	1.7
195.02985	3.7
201.05540	2.3
203.03519	18.5
203.10767	1.7
204.03850	1.4
215.07242	1.7
220.03818	7.9
221.04478	4.6
231.10387	1.6
233.04716	1.8
235.06241	1.5
249.57883	1.6
250.04904	1.5
251.05685	1.6
257.08237	3.9
263.53922	1.8
273.06238	5.3
275.09229	8.2
280.05869	4.7
281.06631	4.4
299.09299	1.5
307.08365	2.9
317.10385	4.0
323.07791	2.6
324.08664	1.4
339.07013	4.2
340.07968	4.7
341.08716	16.0
342.08939	1.5
365.56348	1.5
377.12631	1.6
408.10580	29.9
409.11392	1.8
452.09592	48.6
452.15851	2.5
453.09747	2.9
549.16028	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	549.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	9.2
61.98829	3.8
69.12277	9.3
69.12603	1.7
71.01382	9.7
71.79111	0.8
72.99303	1.5
73.02936	2.8
80.05035	2.2
85.02928	4.7
87.00880	21.6
87.32278	1.0
89.02471	5.2
96.04571	7.0
96.95997	5.1
96.96994	1.0
99.00877	1.8
101.02459	6.9
110.02515	2.1
111.00893	2.1
112.75981	1.0
113.02449	5.5
117.03467	2.3
119.03483	1.5
119.05034	2.1
124.84818	0.9
132.02206	2.9
132.47177	1.1
133.02972	42.9
134.03763	2.4
135.04544	33.7
138.05638	2.0
145.02962	2.1
149.06070	1.2
161.02460	100.0
162.02820	3.9
163.04036	1.1
172.83238	1.1
177.05621	3.3
179.03496	13.9
181.09814	2.4
203.03455	4.0
203.05284	0.9
211.07741	1.9
221.04521	1.9
223.13370	5.2
241.14536	3.1
246.29846	1.0
257.08188	1.7
345.15652	1.6
369.13559	1.4
387.14133	34.6
388.12766	3.0
432.25488	1.0
505.18622	5.4
525.08789	1.0
531.16113	5.7
549.17267	65.1
550.16943	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	549.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52441	3.6
55.01886	6.3
57.03458	3.8
58.00601	5.2
59.01086	6.2
59.01385	100.0
61.98823	5.7
68.99807	4.4
69.15150	27.0
69.15557	6.9
71.01387	96.9
72.99330	6.2
73.02946	22.7
81.03458	5.1
83.01402	13.9
83.05035	3.8
85.02968	55.1
87.00893	25.3
88.98823	4.5
89.02455	74.9
89.02963	6.1
92.67331	3.7
93.26539	3.1
95.01409	10.3
95.05070	9.4
96.96052	4.6
97.02982	5.6
99.00924	8.5
99.04528	5.9
101.02448	68.5
101.05382	3.4
107.05054	6.2
109.06609	7.3
111.00875	10.5
113.02464	63.8
116.98044	4.3
119.03506	31.2
119.05084	10.1
121.02956	8.1
123.04602	4.5
127.04007	5.3
129.01964	35.8
131.03542	25.0
133.02986	12.1
134.03778	8.4
135.04558	16.9
137.02449	5.6
138.18210	3.5
143.03549	9.2
145.02914	4.6
146.03780	6.3
149.02475	5.0
158.03760	8.7
159.04488	12.5
161.02467	14.6
161.04555	38.5
161.09766	3.3
163.03969	13.2
163.11340	45.4
165.05574	9.9
172.05359	7.1
173.02454	4.4
173.06046	6.9
174.03214	4.9
174.06937	5.4
175.04077	4.2
176.81653	3.4
179.05635	94.0
179.10794	7.4
180.11179	4.8
181.12396	21.9
183.04552	10.6
185.02348	4.3
187.04039	7.8
187.07642	46.9
188.07951	5.2
191.05666	5.5
199.04079	4.2
200.04846	16.4
201.05487	5.2
202.06256	5.3
203.10916	5.1
207.03021	24.2
209.04639	5.2
212.04808	4.1
213.09175	16.9
215.07141	67.3
216.07530	4.1
221.06689	74.6
225.11336	96.2
228.04330	7.0
229.08711	9.5
231.06664	12.1
231.10339	24.4
249.11411	6.6
257.08197	53.4
263.07776	56.4
271.06186	4.2
273.07761	4.8
275.09299	22.9
285.11578	4.8
299.09268	4.7
317.10223	12.0
341.10764	5.1
369.13882	5.6
387.10678	9.1
387.16614	8.6
429.17670	40.5
549.15570	17.6
549.23010	40.5
549.29468	7.2
550.22559	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	549.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52441	3.6
55.01886	6.3
57.03458	3.8
58.00601	5.2
59.01086	6.2
59.01385	100.0
61.98823	5.7
68.99807	4.4
69.15150	27.0
69.15557	6.9
71.01387	96.9
72.99330	6.2
73.02946	22.7
81.03458	5.1
83.01402	13.9
83.05035	3.8
85.02968	55.1
87.00893	25.3
88.98823	4.5
89.02455	74.9
89.02963	6.1
92.67331	3.7
93.26539	3.1
95.01409	10.3
95.05070	9.4
96.96052	4.6
97.02982	5.6
99.00924	8.5
99.04528	5.9
101.02448	68.5
101.05382	3.4
107.05054	6.2
109.06609	7.3
111.00875	10.5
113.02464	63.8
116.98044	4.3
119.03506	31.2
119.05084	10.1
121.02956	8.1
123.04602	4.5
127.04007	5.3
129.01964	35.8
131.03542	25.0
133.02986	12.1
134.03778	8.4
135.04558	16.9
137.02449	5.6
138.18210	3.5
143.03549	9.2
145.02914	4.6
146.03780	6.3
149.02475	5.0
158.03760	8.7
159.04488	12.5
161.02467	14.6
161.04555	38.5
161.09766	3.3
163.03969	13.2
163.11340	45.4
165.05574	9.9
172.05359	7.1
173.02454	4.4
173.06046	6.9
174.03214	4.9
174.06937	5.4
175.04077	4.2
176.81653	3.4
179.05635	94.0
179.10794	7.4
180.11179	4.8
181.12396	21.9
183.04552	10.6
185.02348	4.3
187.04039	7.8
187.07642	46.9
188.07951	5.2
191.05666	5.5
199.04079	4.2
200.04846	16.4
201.05487	5.2
202.06256	5.3
203.10916	5.1
207.03021	24.2
209.04639	5.2
212.04808	4.1
213.09175	16.9
215.07141	67.3
216.07530	4.1
221.06689	74.6
225.11336	96.2
228.04330	7.0
229.08711	9.5
231.06664	12.1
231.10339	24.4
249.11411	6.6
257.08197	53.4
263.07776	56.4
271.06186	4.2
273.07761	4.8
275.09299	22.9
285.11578	4.8
299.09268	4.7
317.10223	12.0
341.10764	5.1
369.13882	5.6
387.10678	9.1
387.16614	8.6
429.17670	40.5
549.15570	17.6
549.23010	40.5
549.29468	7.2
550.22559	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	549.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
63.14700	3.5
71.01364	9.8
71.30592	4.8
76.50129	4.1
78.98627	6.7
79.95762	7.3
80.96525	81.8
87.00882	6.3
94.98118	12.2
106.57604	3.6
134.97618	5.6
148.99146	4.5
152.98625	6.0
164.98660	11.0
225.00752	15.4
284.56863	5.1
496.56900	4.7
549.23676	100.0
550.24017	11.7
575.06757	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	549.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31759	1.2
54.74622	1.2
55.01869	2.1
57.03439	4.0
58.00585	4.8
59.01383	100.0
61.98824	7.1
71.01387	87.6
72.99313	7.4
73.02944	5.8
75.00876	2.0
83.01371	4.7
83.04927	1.1
85.02957	21.2
87.00866	6.2
88.98804	5.2
89.02451	94.3
93.03481	1.4
93.44433	1.2
95.01395	6.8
95.78930	1.3
96.04597	1.2
96.96000	2.2
99.00895	2.5
101.02447	53.3
102.02796	1.3
108.04518	1.2
108.90716	1.2
110.02493	1.8
113.02462	38.6
119.03510	43.4
119.04922	1.7
121.02959	2.3
131.03494	4.4
133.02957	2.6
135.04518	4.4
137.09717	2.2
143.03493	8.3
143.07170	2.4
145.02943	2.2
149.04562	4.0
152.07178	1.3
153.20589	1.1
159.03009	3.4
161.02490	12.2
161.04561	16.0
163.03934	1.3
179.05598	17.8
189.12891	1.6
205.38428	1.4
207.13896	1.3
211.07549	1.6
225.14984	1.6
254.32666	1.3
257.76913	1.4
261.94736	1.4
369.18982	2.6
387.14423	2.7
387.20193	9.3
545.72577	1.3
549.17096	8.7
549.25427	51.2
550.25629	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	549.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10891	1.7
55.01890	2.5
57.93596	1.5
59.01383	100.0
69.00731	19.0
69.01045	1.7
69.03471	2.0
71.01385	16.4
73.02956	4.0
77.03967	2.6
81.03456	3.2
82.78536	1.5
83.01393	4.7
85.02961	26.9
86.91189	1.5
87.00887	3.9
89.02467	5.1
90.21000	1.9
93.03432	2.0
95.01350	2.3
95.05067	1.9
97.02947	4.0
98.22630	3.0
99.00888	5.7
99.04527	6.1
101.02446	11.8
105.03472	11.9
108.02184	1.8
109.02960	3.4
111.00900	10.4
113.02466	11.5
121.02990	2.3
123.04536	6.1
125.02435	5.0
127.00441	2.6
127.04028	5.5
128.01167	1.9
129.01947	33.5
131.03552	3.2
132.02187	3.2
132.04253	1.7
133.02977	59.5
134.03773	25.2
135.04549	26.0
136.04860	1.8
137.02423	8.2
139.04039	4.8
147.04468	2.0
150.03223	2.1
160.01706	6.5
161.02472	27.4
161.04602	2.5
163.04082	2.4
173.02609	1.5
173.06029	1.7
175.04013	3.5
177.01950	15.5
178.02715	16.5
179.03482	15.4
191.03546	2.6
195.03055	4.1
203.03505	10.6
213.11388	1.8
215.05511	3.1
219.02829	2.2
220.03763	10.4
231.10223	19.0
233.06712	3.4
250.04820	2.0
257.08215	2.1
273.06207	4.7
275.09274	36.7
276.09613	3.3
280.05942	4.6
281.06470	2.5
317.10214	3.7
322.07114	2.0
341.08707	6.7
408.10660	16.4
429.21317	16.9
447.22256	10.8
452.09558	14.9
506.57520	2.2
549.16089	4.3
574.48895	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83665	30.1
66.16740	32.9
68.97369	26.2
69.94342	100.0
69.94718	58.3
189.85767	28.6
261.25482	33.3
277.21762	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	549.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.8
55.08110	0.5
57.03461	2.4
59.01384	21.0
60.17509	0.5
61.98835	3.3
66.81947	0.5
68.99809	0.7
69.03448	0.9
69.52350	3.1
71.01382	7.6
71.05006	0.7
72.99294	0.7
73.02959	3.2
74.92415	0.4
75.00887	0.5
76.97502	0.5
77.03941	0.6
78.95886	0.5
81.03444	0.7
83.01378	2.0
83.05029	0.6
84.02146	0.8
85.02471	0.7
85.02954	10.1
85.06555	0.5
86.83043	0.5
87.00896	2.5
89.02447	2.5
89.03963	0.6
92.59877	0.4
93.03452	1.7
95.01390	1.4
95.05016	2.1
97.02934	1.1
97.06577	2.1
99.00909	2.6
99.04499	2.0
100.09225	0.5
101.02447	6.8
103.56960	0.5
105.03461	4.0
106.41600	0.5
107.05018	0.6
109.02944	0.9
111.00864	4.9
111.04505	0.5
113.02451	5.2
115.92074	1.8
117.03497	0.7
119.03494	0.9
119.05010	1.0
121.02921	1.4
123.04539	2.3
123.08148	2.2
125.09733	2.4
127.04016	1.6
127.11267	0.8
128.01115	1.0
129.01953	17.3
132.02147	2.5
133.02968	30.9
134.03758	10.0
135.03629	0.8
135.04539	9.4
137.02469	4.3
137.09662	0.8
139.03976	2.0
139.11304	1.6
141.09209	0.6
145.03064	0.8
146.03685	0.7
147.04529	1.2
148.05292	1.3
149.02428	0.7
150.03227	0.7
151.04036	1.1
153.05635	0.9
153.09145	0.5
155.10762	1.2
157.12361	1.6
158.03737	0.5
158.66872	0.5
159.04433	0.7
160.01669	3.2
161.02464	11.4
161.04558	1.4
161.05939	1.1
162.03186	2.3
163.03981	1.0
165.09229	0.8
171.10263	5.4
172.05328	1.1
173.06036	1.0
174.03236	1.0
174.06799	1.0
175.03949	1.8
177.01938	9.6
177.05519	1.2
178.02719	7.9
179.03506	9.1
180.03926	0.6
184.10954	0.7
185.11836	9.3
187.03989	0.9
187.07629	2.4
189.05554	0.8
191.03577	1.0
191.05630	1.6
195.02979	1.8
199.03975	0.7
200.04782	0.7
201.05585	1.1
201.09151	1.6
201.11020	0.6
203.03523	3.3
203.10725	1.5
204.04233	0.6
207.06674	0.6
213.09244	1.2
214.12048	0.9
215.07104	2.3
217.04977	0.8
217.44461	0.5
220.03754	3.2
221.04498	0.8
229.08728	4.0
231.03040	0.6
231.06699	0.8
231.10217	3.5
233.04538	0.8
245.08261	0.8
247.09773	0.6
257.08203	7.1
258.08505	0.5
273.06177	1.0
275.09244	11.7
280.05969	1.5
281.06717	1.4
283.22836	0.9
291.19647	2.9
299.09271	1.1
307.19171	0.8
307.22522	0.6
309.20654	2.9
313.20575	0.6
317.10208	1.3
322.07150	0.7
323.07635	0.6
325.20383	0.9
325.23843	14.4
326.24149	0.7
327.21768	68.8
328.22183	5.0
338.06357	0.6
339.07144	1.0
340.08047	0.9
341.08643	3.4
343.25009	0.9
351.21823	0.9
369.13443	0.5
369.22928	2.5
376.97021	0.5
387.23895	100.0
388.24289	7.7
408.10663	6.2
409.11160	1.1
419.13345	0.8
429.24930	3.5
437.14484	0.5
447.14090	0.6
452.09531	10.7
505.17123	1.2
531.31464	0.6
549.16223	6.4
549.30231	16.6
550.16779	0.9
550.31256	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.8
55.08110	0.5
57.03461	2.4
59.01384	21.0
60.17509	0.5
61.98835	3.3
66.81947	0.5
68.99809	0.7
69.03448	0.9
69.52350	3.1
71.01382	7.6
71.05006	0.7
72.99294	0.7
73.02959	3.2
74.92415	0.4
75.00887	0.5
76.97502	0.5
77.03941	0.6
78.95886	0.5
81.03444	0.7
83.01378	2.0
83.05029	0.6
84.02146	0.8
85.02471	0.7
85.02954	10.1
85.06555	0.5
86.83043	0.5
87.00896	2.5
89.02447	2.5
89.03963	0.6
92.59877	0.4
93.03452	1.7
95.01390	1.4
95.05016	2.1
97.02934	1.1
97.06577	2.1
99.00909	2.6
99.04499	2.0
100.09225	0.5
101.02447	6.8
103.56960	0.5
105.03461	4.0
106.41600	0.5
107.05018	0.6
109.02944	0.9
111.00864	4.9
111.04505	0.5
113.02451	5.2
115.92074	1.8
117.03497	0.7
119.03494	0.9
119.05010	1.0
121.02921	1.4
123.04539	2.3
123.08148	2.2
125.09733	2.4
127.04016	1.6
127.11267	0.8
128.01115	1.0
129.01953	17.3
132.02147	2.5
133.02968	30.9
134.03758	10.0
135.03629	0.8
135.04539	9.4
137.02469	4.3
137.09662	0.8
139.03976	2.0
139.11304	1.6
141.09209	0.6
145.03064	0.8
146.03685	0.7
147.04529	1.2
148.05292	1.3
149.02428	0.7
150.03227	0.7
151.04036	1.1
153.05635	0.9
153.09145	0.5
155.10762	1.2
157.12361	1.6
158.03737	0.5
158.66872	0.5
159.04433	0.7
160.01669	3.2
161.02464	11.4
161.04558	1.4
161.05939	1.1
162.03186	2.3
163.03981	1.0
165.09229	0.8
171.10263	5.4
172.05328	1.1
173.06036	1.0
174.03236	1.0
174.06799	1.0
175.03949	1.8
177.01938	9.6
177.05519	1.2
178.02719	7.9
179.03506	9.1
180.03926	0.6
184.10954	0.7
185.11836	9.3
187.03989	0.9
187.07629	2.4
189.05554	0.8
191.03577	1.0
191.05630	1.6
195.02979	1.8
199.03975	0.7
200.04782	0.7
201.05585	1.1
201.09151	1.6
201.11020	0.6
203.03523	3.3
203.10725	1.5
204.04233	0.6
207.06674	0.6
213.09244	1.2
214.12048	0.9
215.07104	2.3
217.04977	0.8
217.44461	0.5
220.03754	3.2
221.04498	0.8
229.08728	4.0
231.03040	0.6
231.06699	0.8
231.10217	3.5
233.04538	0.8
245.08261	0.8
247.09773	0.6
257.08203	7.1
258.08505	0.5
273.06177	1.0
275.09244	11.7
280.05969	1.5
281.06717	1.4
283.22836	0.9
291.19647	2.9
299.09271	1.1
307.19171	0.8
307.22522	0.6
309.20654	2.9
313.20575	0.6
317.10208	1.3
322.07150	0.7
323.07635	0.6
325.20383	0.9
325.23843	14.4
326.24149	0.7
327.21768	68.8
328.22183	5.0
338.06357	0.6
339.07144	1.0
340.08047	0.9
341.08643	3.4
343.25009	0.9
351.21823	0.9
369.13443	0.5
369.22928	2.5
376.97021	0.5
387.23895	100.0
388.24289	7.7
408.10663	6.2
409.11160	1.1
419.13345	0.8
429.24930	3.5
437.14484	0.5
447.14090	0.6
452.09531	10.7
505.17123	1.2
531.31464	0.6
549.16223	6.4
549.30231	16.6
550.16779	0.9
550.31256	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.3
67.95953	0.1
70.69321	0.2
70.69651	0.3
71.01389	0.8
72.99301	0.2
73.02969	0.1
73.58273	0.1
78.95917	1.6
79.95747	2.9
83.01400	0.2
85.02952	0.5
87.00875	0.2
89.02460	0.7
96.96021	100.0
96.97009	2.7
101.02451	0.7
106.04585	0.1
113.02489	0.8
119.03518	0.3
119.05087	0.1
127.05099	0.2
129.01939	0.4
131.04889	0.2
133.02983	2.0
134.03699	0.2
135.04524	0.8
145.02972	0.4
159.04517	0.2
161.02461	4.7
163.03966	0.2
172.05330	0.2
173.06058	0.2
179.03549	0.4
183.04532	0.3
184.91373	0.2
187.07632	0.9
188.04701	0.2
189.05632	0.2
191.05630	0.2
199.91885	0.1
200.04771	0.2
201.05475	0.2
213.05714	0.2
213.09343	0.2
215.07129	1.1
225.05690	0.2
227.07216	0.3
229.08615	0.2
231.06738	0.3
231.10271	0.4
241.05113	0.3
253.04959	0.2
256.07462	0.2
257.08115	1.1
271.06104	0.3
273.07889	0.2
275.09198	0.3
297.04291	0.3
306.17456	0.2
312.06421	0.2
315.08685	0.9
327.08759	1.2
344.13614	0.6
388.12656	1.1
398.36475	0.2
532.15173	0.2
549.16144	0.4
550.15668	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	550.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	21.9
61.98832	14.2
63.86532	1.5
70.06136	4.1
70.06537	3.5
71.01383	12.9
72.97536	2.9
81.02185	2.0
85.02971	11.1
87.00892	4.8
89.02450	10.7
93.03473	3.7
94.02995	78.0
94.63682	1.7
95.03795	4.6
96.04561	6.0
96.96027	4.0
100.19592	1.6
101.02453	9.5
107.03785	4.2
110.02496	3.3
111.00963	1.7
113.02457	19.8
116.07154	2.0
117.03469	9.4
119.03558	4.1
119.05050	13.4
121.02965	3.1
123.04541	1.7
126.02007	3.4
128.03568	18.9
131.54918	1.7
133.02982	38.1
133.06625	2.3
135.04552	15.4
136.07732	12.3
137.02486	2.1
145.02979	28.9
149.06165	2.1
159.04559	3.8
161.02463	100.0
161.06134	5.3
162.02823	3.9
163.03999	11.2
165.05669	2.5
166.06685	2.0
175.04027	2.6
177.05606	3.5
179.03529	7.9
180.06693	17.9
182.08202	3.0
187.04025	19.3
191.05696	1.8
201.05626	2.1
203.03519	3.2
205.05075	4.1
224.05664	62.8
225.06044	3.5
226.07199	4.0
265.07309	3.5
325.09491	5.3
341.08951	2.2
344.13516	14.0
354.41229	1.7
360.12952	2.9
388.12451	29.0
389.12897	3.2
404.12103	4.2
532.15100	2.9
550.15759	82.7
551.15967	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	550.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89317	0.9
54.52853	0.8
56.37253	0.8
59.01389	15.7
59.62471	0.8
61.98836	12.3
69.63570	0.8
70.63300	1.7
70.63673	1.8
71.01393	15.1
73.02942	3.3
77.41123	0.8
83.01385	1.3
83.49834	0.8
83.53366	0.8
85.02968	7.2
87.00876	3.3
89.02450	12.0
95.01386	1.8
99.00858	1.0
101.02450	8.9
103.42580	0.8
108.04549	0.9
113.02472	12.3
118.06622	3.7
119.03535	4.5
120.08208	67.9
121.02974	5.3
121.08545	2.1
125.00425	0.9
131.03487	2.6
132.08241	0.8
134.03770	2.3
138.05643	1.0
143.03465	2.1
145.02942	1.2
149.02385	1.0
150.03246	1.4
152.07214	3.6
155.64244	0.9
160.07646	1.0
161.04572	6.2
164.07179	100.0
165.05589	2.2
165.07498	4.0
178.08789	4.8
179.03572	1.1
179.05602	4.9
188.55933	0.9
193.05034	4.1
196.06216	5.3
206.08253	6.5
208.06146	21.8
210.07796	1.1
221.06671	6.0
226.07202	2.2
250.07274	5.5
263.07724	2.4
266.10214	1.1
268.08188	1.1
310.09332	3.4
326.12408	1.7
328.10321	2.3
341.09372	0.8
368.13541	9.5
369.13760	1.2
370.11374	8.1
387.14557	1.0
388.12540	2.9
394.83072	0.9
400.12631	1.0
412.07092	1.4
412.12506	25.6
413.12982	1.4
430.13760	4.0
488.17590	1.6
514.15875	1.6
532.16742	19.6
533.17340	2.0
550.17847	23.7
551.18524	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	550.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
69.02032	13.7
74.39936	1.4
98.21737	2.7
403.93488	1.5
405.98065	1.6
424.77042	1.8
492.25644	1.7
496.85782	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	551.178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	16.1
60.05660	2.7
65.53903	3.2
67.06724	2.7
68.82555	3.0
69.03204	27.8
69.03612	6.9
71.01390	23.6
72.99299	4.9
73.02953	8.2
83.01411	8.8
85.02958	10.6
86.00099	3.7
87.00896	3.6
95.01408	5.0
95.05055	3.5
99.00901	5.5
101.02460	8.4
105.03468	10.3
111.00938	4.3
113.02467	25.5
121.02979	4.6
129.01930	5.1
132.02110	3.4
133.02975	100.0
133.15973	3.5
134.03807	31.2
135.04555	17.9
137.02470	28.1
139.04021	8.8
149.02461	3.5
150.03209	5.1
159.04478	4.7
160.01707	12.2
161.02466	32.6
161.04543	4.0
162.02957	3.2
174.03264	9.3
175.04024	12.4
175.07651	10.1
176.04790	9.5
177.01955	68.4
177.05498	5.0
178.02721	47.9
178.04390	4.9
178.04805	4.2
179.03493	23.4
187.07625	14.6
189.05551	7.9
199.04007	3.7
200.04750	3.8
201.05592	4.3
202.02771	8.5
203.03534	7.5
203.07211	24.7
205.08728	10.4
211.13374	9.8
214.06358	6.8
215.07137	6.6
220.03784	31.2
221.04561	5.6
229.08734	7.2
230.09584	8.2
231.10153	5.2
232.07469	21.6
233.08267	18.8
247.09775	25.3
248.10678	8.0
250.04785	6.6
251.05411	3.5
275.09290	27.6
276.09863	4.0
280.05908	10.5
289.19968	3.6
309.15048	4.2
317.10385	10.0
327.15994	10.5
329.13956	11.2
334.10498	13.3
340.08041	32.3
341.08679	4.1
345.16980	13.4
347.11716	3.5
371.15143	7.2
377.12814	4.1
389.16196	12.1
413.16013	4.0
431.17249	4.7
454.10553	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1776
Annotation	Methylgrandifloroside
Peak:m/z	Relative Intensity
57.71131	1.0
59.80838	1.2
69.28835	9.0
69.29176	0.9
70.44137	1.2
71.01375	1.7
85.18110	1.0
93.03451	1.2
108.02194	1.7
113.02462	3.7
113.44109	1.0
119.05054	1.8
121.02965	3.5
122.03764	6.0
123.04539	7.9
133.02982	4.9
134.03754	77.8
135.04135	2.5
137.02470	10.1
139.04015	3.1
147.04529	3.4
149.02464	12.2
149.06091	19.8
150.03239	51.6
151.04028	24.2
160.01659	2.2
164.04771	3.7
165.05583	58.9
171.43440	1.1
175.03984	4.0
176.04794	3.2
178.02722	35.7
179.03185	1.5
180.04268	2.9
181.05081	20.3
191.07141	3.7
192.04306	2.8
193.05069	100.0
194.05386	3.2
195.01575	1.1
195.06647	22.8
207.06676	2.3
231.83011	1.1
235.06120	12.7
238.87595	1.1
277.72934	1.0
282.08966	1.9
341.10172	4.2
341.57816	1.2
363.93127	1.1
383.11676	1.5
389.12442	67.9
390.12909	6.2
398.11774	1.3
431.13513	1.9
551.09882	1.9
551.17706	20.3
552.18378	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	551.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.7
61.98809	1.0
69.25854	4.2
71.01370	1.5
80.39590	0.4
85.02959	1.0
89.02438	0.7
93.03440	2.3
97.16681	0.4
98.21848	0.8
101.02448	1.0
109.02889	0.6
110.02492	1.0
113.02464	1.6
117.03461	1.1
119.05061	1.2
121.02962	11.8
122.03752	4.4
131.43420	0.5
133.02982	2.5
134.03754	49.6
135.04529	1.5
137.02460	6.5
138.05655	0.8
139.04045	1.9
145.02939	1.4
147.04530	1.1
148.04053	0.9
149.02444	14.6
149.06099	13.4
150.03239	35.8
151.03603	1.1
157.07729	0.6
159.04633	0.5
164.04770	2.8
165.05579	35.7
166.04929	3.0
178.02730	28.2
179.03111	1.5
180.04315	2.3
193.05072	100.0
194.05394	4.2
195.06631	27.3
196.07076	0.6
205.06732	0.6
221.06097	0.6
230.46849	0.5
233.06152	0.6
234.06837	0.5
235.06030	0.8
239.07207	2.4
250.06340	2.3
251.07172	0.9
253.08719	0.8
267.06595	1.6
282.08954	7.4
283.09323	0.6
290.34723	0.5
297.11197	0.9
326.08087	0.6
341.10306	33.3
342.10641	2.1
344.13361	0.8
347.12601	1.0
383.11328	0.6
389.12454	19.1
390.12701	1.4
551.10547	0.7
551.17712	2.3
552.17279	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	551.1774
Annotation	Prinsepiol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.21523	1.2
59.01383	2.7
69.63029	7.9
111.00874	1.8
113.02442	2.7
121.02984	6.0
122.03761	5.7
123.04536	6.5
132.02168	2.6
133.02968	4.0
134.03757	84.6
135.04475	5.7
136.01718	1.4
137.02443	9.0
139.03984	3.2
139.85925	1.2
147.04526	1.8
149.02448	15.5
149.06084	21.3
150.03244	36.3
151.04022	26.9
153.05544	1.5
160.01677	1.9
164.04727	2.2
165.05574	39.6
175.03986	2.8
176.04741	3.6
177.01979	1.5
178.02725	36.8
179.03058	2.6
180.04291	2.8
181.05067	16.8
191.07166	4.1
192.04321	2.3
193.05072	100.0
194.05429	3.3
195.06641	11.7
220.58595	1.4
235.06114	15.0
267.06631	1.5
282.09042	5.8
297.11258	2.3
341.10287	21.9
342.10385	1.6
383.11377	3.7
389.12430	90.0
390.12924	7.0
431.13538	3.1
551.17621	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	551.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87974	3.2
59.01382	15.2
59.89371	3.0
60.86041	2.9
71.01387	24.3
73.02940	8.7
83.01402	8.5
84.40556	2.9
85.02939	11.0
87.00889	3.0
89.02461	7.4
89.03075	2.7
95.01414	5.3
95.05007	4.5
97.02946	3.5
99.00903	5.5
100.02696	3.0
101.02456	12.2
105.03453	11.6
109.02927	3.5
111.00874	4.5
113.02464	29.6
120.99661	4.3
121.03024	5.1
132.02171	5.7
133.02968	100.0
134.03764	30.0
135.04497	14.0
137.02455	24.6
139.04024	7.8
145.02975	5.1
146.03752	6.4
147.04486	6.5
149.02473	3.9
150.03215	5.7
160.01714	5.6
161.02469	24.3
161.04617	8.2
161.06155	3.6
163.04048	5.6
174.03252	7.6
175.03996	11.5
175.07646	12.0
176.04781	10.9
177.01930	75.9
178.02736	46.5
179.03471	12.8
186.06854	4.9
187.07668	17.1
189.05577	10.7
201.09256	4.1
202.02736	8.6
203.03540	8.2
203.07126	25.7
204.07884	5.0
205.08745	11.2
211.13446	4.2
214.06303	6.2
215.07149	9.1
220.03781	37.7
221.04453	7.6
229.08675	12.2
230.09435	11.8
231.10297	10.3
232.03763	3.7
232.07445	29.0
233.08121	19.0
247.09813	37.5
248.10434	9.0
250.04753	10.2
275.09256	31.3
280.05869	9.7
296.11847	3.6
317.10175	14.9
327.15942	9.7
329.14001	7.1
333.09741	5.2
334.10522	19.4
335.11633	3.7
340.08057	26.9
341.08539	4.3
345.17044	12.5
347.11353	5.1
364.11691	4.7
371.14963	6.5
377.12457	5.5
389.16046	11.5
413.16028	4.3
431.16794	3.6
552.18829	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02372	0.4
52.73974	0.4
55.01861	0.7
57.03455	0.5
59.01385	23.3
61.98543	0.4
61.98832	1.9
66.28404	0.4
69.03470	0.5
71.01392	6.3
71.28981	0.6
72.99356	0.6
73.02946	2.3
80.05093	2.6
80.05495	0.7
83.01399	1.4
85.02956	3.6
87.00900	0.6
89.02446	2.1
93.03459	2.3
94.06609	0.5
95.01405	1.2
96.04555	6.1
99.00896	0.7
101.02448	5.6
108.02203	0.6
111.00901	0.8
113.02454	4.8
117.03490	5.6
119.03598	0.9
119.04269	0.8
119.05039	11.3
121.02969	100.0
122.03327	2.5
134.03772	4.9
135.04555	2.0
136.13791	0.5
137.02484	0.6
138.05608	1.0
145.02969	16.5
149.02458	1.2
149.06070	1.4
150.03262	2.8
157.88721	0.4
161.02426	0.5
161.04633	0.7
161.06104	1.6
163.04027	12.2
163.05411	0.6
165.05579	3.2
173.62119	0.5
178.02792	2.8
179.03401	0.5
181.05084	2.8
181.09860	1.9
187.03943	0.7
193.05066	9.0
195.06581	2.7
205.05148	1.0
209.09390	1.0
223.06093	0.9
225.08763	0.5
243.06758	0.6
271.06113	0.9
322.35165	0.5
325.14102	1.0
341.10349	2.1
343.15231	2.0
369.13077	1.7
387.14124	6.7
388.14108	0.5
389.12592	1.3
411.14078	1.1
429.15128	12.3
489.18842	1.6
515.16193	1.0
519.08142	0.6
533.17749	15.2
534.17755	1.9
551.11945	1.8
551.18842	41.7
552.19110	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	551.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04559	0.9
57.03439	1.0
59.01381	16.1
61.98841	9.5
68.99814	1.4
71.01386	9.1
71.29517	1.7
72.99306	1.2
73.02946	1.7
74.99109	12.9
76.67920	0.9
78.15284	0.9
83.01411	1.9
85.02964	12.5
87.00906	2.0
88.98836	3.3
89.02449	5.4
95.01408	1.6
96.96033	2.6
97.06599	11.8
99.00926	1.3
101.02461	4.6
109.02962	2.1
113.02466	27.8
114.91259	0.9
118.98100	69.6
119.03532	3.1
121.03008	2.6
133.02972	1.1
134.03778	2.5
135.04550	6.8
136.01686	6.4
136.05287	1.2
137.02448	6.4
140.05589	0.9
145.02979	1.9
146.03696	1.0
151.04031	1.1
159.04524	1.4
161.02547	2.0
161.04706	1.0
161.06288	1.3
174.03282	1.5
175.04065	1.1
185.06081	2.4
187.04106	0.9
187.07634	3.1
189.05727	1.1
191.07201	2.2
193.08775	2.3
197.15648	0.9
199.04088	1.1
202.06465	1.3
203.07126	1.0
205.08818	1.2
213.05649	1.4
213.09236	1.5
215.07127	4.5
217.58260	0.9
221.27724	0.9
227.07135	1.0
229.05148	1.2
229.08762	1.5
230.05893	1.2
231.06703	1.6
231.10313	1.6
257.08139	5.1
257.11740	0.8
271.05954	1.2
273.07739	1.4
275.09222	1.2
317.10519	1.2
329.14066	1.6
345.17142	2.3
431.17334	1.0
437.14664	1.9
533.16949	1.9
551.21887	100.0
551.30481	8.7
552.22345	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	551.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	10.0
62.97405	7.6
68.97838	100.0
70.47630	8.0
78.04034	8.7
82.27182	8.3
85.02966	44.1
98.22495	20.2
111.00886	12.3
129.01949	9.5
138.36339	9.5
147.41559	9.0
277.21780	86.0
279.23297	10.3
288.59116	9.6
291.23206	15.9
338.80396	10.7
510.50803	9.7
569.39661	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27279	1.4
64.77612	1.4
69.03443	2.9
69.18958	3.7
69.19368	10.3
76.11293	1.4
87.37140	1.6
95.64834	1.4
151.11330	2.2
161.09761	3.0
162.12413	1.5
179.10800	10.9
197.11852	38.0
223.09851	3.1
241.10812	8.4
253.21758	8.3
289.96756	1.6
297.13214	2.8
315.14508	100.0
316.14920	4.5
551.35962	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	552.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00607	0.8
59.01379	15.9
61.98827	1.9
70.19837	1.5
71.00984	0.7
71.01385	11.9
73.02945	2.5
80.05049	2.5
83.01398	1.3
85.02960	6.1
87.00891	0.7
88.05095	0.5
89.02451	6.3
93.03479	1.7
95.01379	2.0
96.04565	4.2
99.00881	0.9
101.02454	6.6
108.02154	0.8
110.02419	0.7
113.02444	8.6
117.03468	9.5
119.03568	3.3
119.05035	11.6
120.05350	0.7
120.08194	0.7
121.02964	100.0
122.03259	3.8
125.21428	0.5
127.36535	0.7
134.03769	3.7
135.04118	1.4
137.02440	1.0
138.50731	0.6
140.26184	0.6
143.03481	1.1
145.02960	38.9
146.03316	1.7
149.02431	1.7
149.06036	1.4
150.03262	3.6
151.03577	1.4
157.07686	0.9
161.04558	1.6
161.05997	1.2
163.04018	6.9
164.07150	0.9
165.01924	1.0
165.05585	4.1
166.06017	1.4
178.02711	2.4
179.03093	1.2
179.05653	1.1
181.05132	3.3
182.08231	1.7
193.05070	7.6
194.05443	5.7
195.06601	2.7
196.07010	1.5
223.06195	0.9
326.12415	5.5
327.12833	0.7
341.10187	1.4
342.10715	3.2
344.13513	15.6
345.13791	1.4
386.14651	5.3
388.12527	2.9
389.12726	0.7
390.12717	2.0
430.13409	4.4
490.17178	2.1
520.08545	1.0
534.16113	9.9
535.16357	0.8
552.17188	61.3
553.17273	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	552.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.3
59.01384	12.1
60.36755	1.0
61.98852	6.4
68.64088	1.0
69.10243	9.9
71.01391	13.9
72.99327	1.2
73.02936	3.5
74.02572	1.0
80.05067	1.8
80.83051	0.9
80.94488	1.1
83.01392	2.4
83.55589	1.4
85.02946	8.7
89.02460	7.2
93.03456	4.8
95.01404	1.9
99.00909	1.4
101.02468	5.7
113.02457	13.0
117.03469	25.0
119.03593	2.6
119.05037	93.1
120.05345	2.4
121.02953	3.3
125.02413	1.1
131.04977	1.5
132.05806	2.8
133.03012	5.3
133.06601	9.9
135.04518	1.5
143.03395	1.6
145.02962	100.0
146.03273	2.7
147.04572	6.4
159.04523	3.8
161.04749	2.2
161.06091	21.4
163.04018	87.7
164.04381	2.7
175.03952	1.7
177.05574	9.7
179.05641	1.3
183.86125	1.1
187.04024	8.3
189.05612	1.4
191.07193	2.0
203.07106	2.0
204.07449	2.3
205.05054	16.7
228.10301	1.3
233.08060	3.2
235.06165	3.0
246.32819	1.3
247.09683	2.0
248.10213	4.7
325.09357	1.4
334.10538	1.5
335.10999	1.4
388.14005	2.8
406.15082	70.9
407.15451	6.5
508.19864	10.0
546.95990	1.4
552.18787	93.1
553.19135	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	552.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.3
59.01384	12.1
60.36755	1.0
61.98852	6.4
68.64088	1.0
69.10243	9.9
71.01391	13.9
72.99327	1.2
73.02936	3.5
74.02572	1.0
80.05067	1.8
80.83051	0.9
80.94488	1.1
83.01392	2.4
83.55589	1.4
85.02946	8.7
89.02460	7.2
93.03456	4.8
95.01404	1.9
99.00909	1.4
101.02468	5.7
113.02457	13.0
117.03469	25.0
119.03593	2.6
119.05037	93.1
120.05345	2.4
121.02953	3.3
125.02413	1.1
131.04977	1.5
132.05806	2.8
133.03012	5.3
133.06601	9.9
135.04518	1.5
143.03395	1.6
145.02962	100.0
146.03273	2.7
147.04572	6.4
159.04523	3.8
161.04749	2.2
161.06091	21.4
163.04018	87.7
164.04381	2.7
175.03952	1.7
177.05574	9.7
179.05641	1.3
183.86125	1.1
187.04024	8.3
189.05612	1.4
191.07193	2.0
203.07106	2.0
204.07449	2.3
205.05054	16.7
228.10301	1.3
233.08060	3.2
235.06165	3.0
246.32819	1.3
247.09683	2.0
248.10213	4.7
325.09357	1.4
334.10538	1.5
335.10999	1.4
388.14005	2.8
406.15082	70.9
407.15451	6.5
508.19864	10.0
546.95990	1.4
552.18787	93.1
553.19135	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	552.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86163	6.7
59.01382	6.2
61.98820	27.1
69.00240	11.2
69.00639	59.7
80.72925	5.7
83.05022	7.5
96.25060	5.4
98.21804	14.1
109.06589	21.0
163.11211	14.0
207.10321	34.7
209.11856	100.0
225.11346	21.0
227.12860	16.3
473.25214	22.0
491.26563	10.9
509.27753	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	553.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95648	0.4
59.01382	5.3
60.11811	0.5
61.98834	0.8
64.92287	0.5
65.41263	0.4
69.16830	1.7
69.17256	2.1
71.01382	3.7
73.02963	1.2
75.37117	0.4
78.95905	0.7
79.95749	3.1
83.01376	0.5
83.62669	0.4
85.02950	2.6
85.35329	0.4
87.00851	0.7
88.98814	1.5
89.02460	1.6
93.03514	0.5
95.01384	0.6
96.96024	100.0
98.22547	0.8
99.00901	0.8
99.04502	0.7
101.02450	2.8
109.02986	0.6
111.00896	0.6
113.02457	3.2
114.02725	0.4
119.03558	0.7
119.05062	0.8
135.04550	1.0
136.01720	0.5
137.02481	0.6
145.03008	0.8
147.04521	0.5
159.04529	0.6
161.02455	1.2
162.02811	0.7
163.04033	0.7
173.06152	1.0
174.03267	0.6
174.06915	0.6
175.03902	0.6
177.09245	0.7
179.03703	0.5
182.55127	0.4
185.06155	0.5
187.03970	0.5
187.07631	2.1
191.05688	0.6
197.06300	0.5
201.05597	0.4
201.09149	0.5
203.03590	0.5
203.07092	0.9
205.08723	0.8
211.07628	0.7
213.09201	1.0
214.95277	0.4
215.07172	2.3
229.08713	0.9
231.06628	0.7
231.10321	1.0
233.08263	1.3
245.08347	0.6
249.11241	2.1
257.08276	1.8
273.07764	1.6
275.09256	0.7
300.02902	1.0
317.10275	0.9
335.11475	1.0
345.26611	0.8
390.93179	0.5
437.13953	0.6
463.08838	0.6
535.18036	0.9
553.18561	1.7
553.32361	13.6
554.32715	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30457	5.2
70.81758	5.3
71.01388	9.4
71.29379	6.3
71.29751	6.5
87.00882	100.0
93.03469	5.8
109.62719	4.9
111.04495	15.6
137.02458	6.6
162.36009	5.4
243.05095	9.1
257.13730	5.1
303.04944	5.7
512.04553	5.5
563.23438	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	553.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	10.3
61.98837	11.7
69.49889	5.8
71.01391	7.4
73.02952	2.1
81.03472	1.2
85.02973	5.9
87.00866	1.4
89.02467	3.4
93.03451	3.0
95.05045	1.9
96.96044	3.2
97.02985	1.1
101.02451	4.7
105.03483	7.2
109.02950	5.3
113.02472	7.8
115.04047	2.4
117.03485	1.3
119.05039	1.7
121.02966	5.1
122.03787	1.9
123.04557	1.5
125.02435	1.1
128.18526	1.0
132.02182	3.1
133.02972	51.2
134.03766	20.6
135.04549	35.3
136.01688	5.8
137.02461	18.0
139.04022	6.0
145.02945	3.0
147.04533	6.1
148.05322	73.3
149.02466	1.2
149.05577	2.2
150.03227	4.0
151.04033	1.5
159.04474	2.3
160.01669	3.9
161.02457	34.3
162.03130	2.3
163.04016	2.2
172.05263	1.9
174.03308	2.1
175.03963	1.6
177.01941	10.3
177.05406	1.6
178.02721	11.6
179.03514	18.8
187.07602	1.6
189.05624	1.0
191.03503	5.9
191.05560	1.8
194.02203	3.3
198.06702	1.4
201.05533	1.6
201.09134	2.1
202.06155	1.1
203.03499	1.1
203.07129	1.2
203.10739	2.4
215.07150	1.9
215.10748	2.0
215.26961	0.9
219.02914	0.9
220.03873	1.3
221.04666	0.9
226.06465	1.3
229.08713	4.0
231.06606	2.2
231.10204	3.3
233.08194	2.2
247.09741	6.4
257.08270	1.4
259.09738	2.4
262.08527	1.2
275.09244	1.8
277.07254	3.1
278.07898	1.7
279.08707	15.4
301.10959	1.6
307.08389	1.3
329.23309	3.9
330.23697	4.1
331.23981	3.3
340.08319	1.4
349.94821	0.9
355.24893	2.3
389.25522	2.3
390.25818	6.0
391.26169	4.7
427.15463	1.0
438.11679	1.9
440.13263	100.0
441.13934	32.4
442.14468	1.2
456.12772	3.5
478.62769	1.0
509.20346	41.6
510.20361	3.9
535.17554	1.5
553.19275	9.2
553.32568	8.4
554.19257	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	553.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.4
55.34054	1.1
57.03448	1.9
59.01382	31.2
61.98841	3.2
66.81794	1.2
69.03455	2.7
69.97742	1.1
71.01390	19.6
71.32064	2.4
72.01748	1.3
72.99319	4.1
73.02951	2.1
75.00880	4.7
78.95903	1.5
83.01387	2.4
83.05048	6.5
85.02951	7.7
85.06613	2.2
87.00890	2.0
88.04843	1.1
88.98817	3.8
89.02452	16.0
93.03498	1.6
95.01414	1.8
96.96027	5.3
97.02927	1.4
97.06615	1.7
101.02457	12.3
109.02936	2.4
110.02450	1.2
111.00860	1.7
113.02468	14.0
119.03535	4.3
119.05041	2.9
121.02950	2.9
125.02454	1.6
133.02974	3.7
133.60321	1.3
134.03769	2.1
135.04539	4.9
136.01656	7.4
137.02451	3.8
141.09232	1.3
143.03578	1.7
145.02989	1.4
149.02403	2.3
149.40271	1.3
150.03220	3.5
159.04498	1.3
161.02440	2.0
161.04675	2.0
163.03970	2.3
165.05576	2.5
172.05351	2.0
175.04071	2.0
177.01938	1.4
177.05338	1.2
178.02649	1.5
178.30743	1.4
181.15974	4.5
187.03978	3.9
187.07613	8.3
191.05591	1.7
202.06491	2.1
203.10735	1.8
205.08725	1.3
209.19203	1.4
213.05495	1.4
215.07123	5.7
216.07901	1.5
219.17593	18.4
227.07234	1.9
229.08676	2.7
231.06712	2.2
231.10330	5.3
233.08168	2.4
237.18614	60.6
238.19023	2.6
255.19719	16.1
257.08121	8.1
273.07806	2.3
275.09323	2.1
281.17599	62.3
282.18024	3.7
299.18686	13.0
305.39252	1.4
373.22311	100.0
374.22690	7.4
377.12399	1.5
505.18515	3.5
553.22498	5.5
553.31927	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	553.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.6
55.84380	0.6
57.03457	1.5
59.01387	0.6
67.01885	0.8
69.03458	11.3
70.06982	0.6
71.01387	1.1
71.05017	2.3
72.09727	0.5
83.05032	1.1
91.04052	0.6
95.01323	0.7
97.02968	0.9
97.06588	2.5
99.00870	0.8
121.06623	0.7
123.08175	4.2
125.09747	6.3
137.09734	1.6
149.09727	1.4
151.11287	7.7
153.12852	2.6
161.08455	1.1
161.09737	14.0
179.10794	31.5
180.11174	0.7
197.11845	98.9
198.12228	3.7
223.09740	4.3
237.22223	0.9
241.10812	13.1
255.23312	100.0
256.23740	4.7
297.13425	7.7
315.14508	13.7
341.66760	0.6
553.37518	51.6
554.37799	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	554.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06110	0.7
59.01386	18.3
78.95914	19.1
85.38395	1.0
152.99623	3.5
154.16747	0.9
168.04330	2.6
180.07597	0.8
214.65051	0.9
224.06958	8.1
242.08084	1.4
243.66072	1.1
255.23318	100.0
256.23630	5.1
271.15131	0.7
374.92123	1.0
480.31030	53.9
481.31235	3.8
554.26819	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	554.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.1
56.52053	1.4
57.03458	1.8
59.01386	100.0
60.59284	1.2
61.16726	1.2
68.54655	1.1
69.04131	9.3
69.04541	3.4
70.37794	1.3
71.01371	2.4
73.02939	3.0
83.01392	11.5
83.47520	1.2
89.08973	1.4
91.04026	2.7
101.02452	4.0
110.57981	1.5
125.09712	2.7
157.05083	3.1
159.68033	1.3
175.06126	5.3
183.93748	1.4
193.07158	5.8
277.21747	38.5
324.85910	1.6
435.27600	6.2
453.28592	43.9
454.28543	3.2
480.33279	2.4
495.29459	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	555.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.2
61.98834	0.9
69.22507	0.3
69.22845	2.9
71.01382	1.4
72.99306	0.7
73.02958	0.6
74.23655	0.4
78.95922	0.5
85.02957	0.6
89.02473	0.5
92.77370	0.4
96.96026	4.2
98.95605	3.7
98.96452	0.7
99.00884	0.7
99.92592	17.5
100.92672	0.6
100.93402	1.2
101.02454	1.2
104.90980	0.3
105.03501	0.4
108.02193	0.6
108.72407	0.3
109.02956	0.8
109.63245	0.3
111.00925	0.3
113.02425	0.6
115.92090	25.0
116.92871	100.0
117.92883	3.4
117.93592	0.5
119.05037	0.7
121.02943	0.5
133.02969	1.7
134.03740	1.0
135.04523	1.2
136.01663	4.1
137.02460	7.0
137.09778	0.4
140.92871	0.8
141.93692	1.7
142.94441	0.5
148.01718	0.4
150.03252	0.5
151.04031	0.6
156.92361	0.7
158.93916	0.5
161.02443	0.8
174.93401	0.8
177.01831	0.8
178.02695	0.9
179.03545	0.6
183.94675	0.8
184.91846	1.8
187.07724	0.4
196.95503	0.8
224.95056	0.4
231.10185	0.4
242.96013	0.8
244.97572	0.5
259.96432	0.9
265.14758	0.4
266.31314	0.4
281.41931	0.4
301.14578	0.4
313.66595	0.4
319.15280	0.4
407.44516	0.4
428.13638	0.5
440.13062	0.5
451.10657	5.4
457.12619	0.4
458.14191	1.9
469.11740	3.9
481.12350	0.6
493.11862	1.9
511.12781	5.6
512.13000	0.7
519.09753	1.1
537.10394	0.4
555.11780	17.0
555.24591	0.8
556.11981	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65848	4.8
55.01891	7.6
57.03434	6.1
59.01117	6.5
59.01385	44.5
63.83692	4.2
69.02624	18.0
69.03045	28.3
71.01389	95.8
72.99309	7.4
73.02953	36.3
83.01390	14.0
85.02966	50.3
89.02461	17.9
95.01397	5.4
99.00909	12.2
101.02460	53.1
113.02459	39.1
115.04031	47.7
119.03531	6.8
159.03020	8.1
161.04555	38.9
233.10339	24.4
236.22298	5.0
241.75587	5.3
277.09299	100.0
458.74362	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	555.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63443	0.5
63.96228	1.0
71.01382	6.4
72.86127	0.5
73.02934	1.9
78.98589	5.3
79.95743	9.4
80.96522	61.7
81.03460	0.8
83.01392	0.6
85.02924	2.6
87.00885	2.8
91.36610	0.5
94.98090	14.2
96.96020	1.4
97.02962	1.6
99.00947	0.6
101.02447	2.8
106.98114	3.0
122.97579	3.3
123.34729	0.5
125.02455	2.1
132.22801	0.4
132.23793	0.4
134.97617	4.8
136.99173	1.3
144.67661	0.4
148.67531	0.5
148.99156	5.8
152.98640	4.7
153.55791	0.5
164.98640	10.8
206.99727	1.7
225.00749	12.0
255.23306	1.8
288.18188	0.4
299.04465	2.4
399.11072	0.5
533.90863	0.5
555.28461	100.0
556.28821	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	555.2846
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
50.73458	0.5
57.15118	0.5
59.01377	0.4
61.98846	2.2
63.96236	1.2
67.74418	0.5
67.80667	0.4
69.13311	0.7
69.13711	3.5
71.01385	5.1
73.02945	0.9
73.98184	0.4
76.48813	0.4
78.98594	4.8
79.95734	6.7
80.84505	0.5
80.96526	52.7
81.03484	0.8
85.02956	2.0
87.00892	2.7
94.98096	12.0
96.96033	0.9
97.02964	1.2
101.02454	2.3
106.98085	2.4
113.89442	0.4
114.62908	0.4
122.97583	4.4
125.02455	2.8
127.04050	0.5
134.96635	0.6
134.97606	4.2
136.99139	1.8
139.01314	0.4
146.97638	0.5
148.99174	4.6
152.98650	6.5
164.98657	9.7
182.99673	1.4
200.75928	0.4
206.99675	3.0
208.98062	0.4
225.00752	15.8
243.01709	1.6
247.65083	0.4
255.23340	2.7
274.17496	0.4
299.04391	3.0
355.89697	0.4
531.30859	0.5
555.28473	100.0
556.28882	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	555.3173
Annotation	Turnagainolide B
Peak:m/z	Relative Intensity
57.03452	38.2
59.01387	14.0
61.98836	4.4
69.03461	4.7
71.01388	4.1
71.05043	1.6
71.31384	2.5
73.02945	2.6
80.57940	1.6
83.01426	1.5
85.02960	8.3
86.00034	1.6
87.04523	7.8
89.02462	3.3
95.05019	3.0
101.02441	3.2
107.70766	1.8
109.99791	1.9
113.02442	3.9
113.06106	3.8
121.02906	2.2
123.04539	3.1
123.08164	2.6
127.07616	2.3
128.32184	1.8
133.02930	8.9
134.03737	6.0
135.04533	8.2
135.08183	8.0
136.05344	2.7
137.02438	5.9
137.06065	3.8
139.04060	2.6
139.07661	2.5
148.05287	3.8
149.06082	4.2
150.06833	3.9
151.07632	4.7
155.07173	4.0
161.02461	5.4
162.06883	6.4
173.08202	100.0
174.08659	2.6
177.05608	3.8
177.09268	5.2
178.02707	5.8
179.03479	9.5
194.88274	1.8
203.09195	4.2
221.04556	6.7
297.09818	2.4
301.14471	2.1
319.15485	2.1
339.21841	5.5
341.19748	3.0
350.40088	1.9
359.20840	3.4
381.22998	3.0
447.74493	2.0
458.14383	13.6
495.29932	2.3
513.30750	2.3
519.29401	3.8
537.30737	39.0
538.31354	3.8
555.23517	3.6
555.31903	75.1
556.32172	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	555.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	24.9
59.01376	16.0
61.76393	1.5
61.98835	4.3
64.42627	2.1
69.03448	2.9
71.01377	4.9
71.31622	3.3
73.02947	3.5
85.02958	5.0
87.04513	10.3
89.02458	1.8
92.93106	1.8
96.96056	2.0
99.04517	3.0
113.06105	3.2
123.08154	1.7
127.07640	2.7
135.08173	6.0
137.06111	2.4
139.07721	2.1
145.02925	2.0
149.09654	2.0
155.07123	3.0
163.07614	1.8
173.08202	82.8
174.08574	2.1
177.01936	1.9
177.09268	2.7
179.07101	2.4
187.03940	1.9
191.60172	1.8
203.09299	5.9
213.16516	1.7
215.07237	1.6
235.28096	1.6
252.50346	1.7
281.12183	1.7
450.16473	1.7
537.30762	5.8
555.31854	100.0
556.32141	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	556.313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96915	0.6
58.64871	0.6
59.01383	3.3
59.01624	0.6
61.20902	0.6
61.98844	0.7
69.04304	6.2
71.01391	2.8
89.02446	3.0
98.22621	1.1
101.02455	2.5
113.02445	1.3
116.12505	0.5
119.03535	0.7
148.56699	0.7
161.04593	1.3
182.44748	0.7
235.08244	1.5
253.09300	16.6
265.36942	0.6
277.21735	100.0
278.22046	6.0
471.90656	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.1
60.92389	0.9
61.49834	0.9
61.86765	1.0
69.06038	11.8
71.01389	2.8
72.05556	1.1
81.45380	1.1
89.02469	3.3
101.02447	3.7
113.02480	1.5
117.98411	1.0
119.03559	1.8
140.69452	1.0
165.48192	1.1
174.08850	1.0
215.67741	1.1
235.08171	1.4
253.09302	19.5
262.36133	1.2
277.21744	100.0
278.22125	4.9
444.35620	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	556.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58872	1.9
59.01385	100.0
61.08610	1.6
68.92009	1.7
71.29514	2.1
73.02936	2.6
76.55730	1.7
83.01387	13.4
91.04018	2.6
101.02454	1.9
157.05051	3.0
174.01280	2.3
175.06140	5.8
189.63901	1.8
193.07178	7.3
215.48315	1.8
260.58597	1.9
279.23340	38.3
280.23563	3.6
356.95477	1.7
395.75195	1.7
437.29062	6.3
455.30130	41.8
456.30109	2.8
482.34531	2.2
497.31097	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	557.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27441	1.8
59.01383	2.1
61.98834	2.9
64.85353	1.8
69.03454	2.5
69.65574	6.5
71.01389	15.7
98.22437	2.8
98.49560	1.8
116.05053	4.2
142.06599	5.7
179.10776	4.9
183.04523	2.5
185.06046	2.6
186.05489	2.2
197.06061	3.6
197.11862	20.7
198.06914	3.1
199.07753	2.1
201.09157	2.7
203.08247	3.4
209.11855	15.5
211.04015	3.2
211.07668	7.4
225.05597	2.4
226.06348	2.8
226.09984	18.5
227.07138	4.6
227.10721	9.7
227.12775	2.8
229.06177	9.9
229.08365	2.9
239.03540	2.6
241.10600	2.2
242.09503	4.0
253.08665	2.0
255.06645	5.2
255.10205	2.2
255.11044	2.6
255.13892	29.5
256.14273	2.2
270.12518	10.1
283.13437	5.1
299.16541	55.3
300.16809	3.9
309.14661	2.2
315.14352	4.1
327.16037	100.0
328.16495	8.6
336.29327	1.7
353.14151	3.3
495.22775	4.6
513.20770	3.0
525.27136	21.5
539.21216	2.4
557.22913	12.1
558.22864	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	558.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42525	2.6
59.01386	5.0
59.56320	2.3
61.98841	22.5
63.16751	2.7
69.10456	10.1
69.10880	15.5
71.01370	2.9
90.50410	2.7
99.45985	2.9
106.26485	2.5
122.28370	2.4
186.76556	3.2
235.08238	3.1
253.09308	21.8
279.23303	100.0
280.23657	8.2
281.24918	6.6
408.73999	2.9
522.70105	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	558.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01903	3.5
57.03452	2.6
59.01384	100.0
71.01382	4.1
78.14875	2.9
78.42345	2.5
80.96521	9.9
82.96111	9.9
82.96973	4.2
83.01387	16.3
91.02884	2.3
91.23762	2.6
101.02465	5.6
110.91965	2.2
112.19469	2.9
132.58794	2.6
165.63515	2.7
175.06113	6.8
193.07121	5.4
198.07567	2.6
224.68422	3.2
281.24866	50.8
439.30685	6.4
457.31747	39.4
458.32172	4.0
468.34821	2.7
499.32968	3.6
501.58157	3.7
558.28802	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.4
61.98820	2.5
71.01392	3.3
71.30216	0.8
85.02950	1.8
85.21066	0.6
87.00855	1.1
93.03481	1.7
101.02477	1.4
102.53799	0.7
113.02467	1.8
133.02988	3.4
134.03746	1.0
135.04527	1.0
151.00356	2.0
158.03711	2.0
161.02437	0.9
161.04631	0.9
171.10193	0.9
172.01794	1.2
174.03128	0.8
186.03258	5.5
189.01961	1.3
191.05598	3.2
198.03239	1.8
213.02103	1.0
214.02776	17.8
215.03011	1.1
216.00792	0.8
218.02176	1.2
229.08493	0.7
230.93051	0.7
241.01436	25.0
242.02222	36.3
243.02686	2.1
245.00922	20.8
251.83888	0.7
253.09311	1.3
270.01727	52.5
271.02338	7.6
273.00470	1.7
279.08789	0.8
281.04605	0.9
298.01212	25.2
299.01987	5.4
312.07932	0.9
323.18744	1.4
339.08716	2.2
359.28079	1.7
367.08136	2.0
396.08517	28.0
397.09125	6.0
463.14786	2.8
559.14569	100.0
559.31622	2.7
560.14990	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	559.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59059	0.8
56.91227	0.8
59.01388	7.4
59.77037	0.8
61.98830	5.7
63.28466	0.8
71.01376	2.4
73.02966	1.1
83.01404	1.1
85.02970	1.6
87.00858	1.5
89.02455	0.9
93.03459	1.7
96.96018	0.8
101.02435	2.4
105.03436	1.0
107.01402	1.2
113.02454	1.2
128.50307	0.9
133.02995	8.0
134.03697	0.9
135.04535	1.0
137.02457	0.9
139.04024	2.8
143.07161	1.0
145.02945	1.1
151.00359	5.1
158.03709	1.6
161.02460	2.3
173.04555	1.0
177.01997	1.4
178.99840	2.4
185.98297	1.0
186.03259	6.2
187.07562	0.9
189.01936	2.5
191.05695	5.1
198.03244	1.8
199.03944	1.9
200.00908	1.0
201.11127	0.8
209.11845	2.0
214.02747	14.5
215.03372	1.5
216.00806	1.0
227.03619	1.7
241.01439	16.8
242.02202	33.5
243.02765	4.6
245.00926	13.8
253.09175	1.2
270.01712	36.8
271.02435	21.2
279.08643	1.2
283.08533	1.0
298.01190	16.2
299.01978	21.3
300.02509	2.7
323.18735	1.3
327.09698	1.1
336.10172	2.0
336.60486	1.1
339.08780	1.3
367.08258	2.2
396.08542	22.0
397.09009	6.5
424.13794	1.6
461.07339	1.2
462.07651	2.3
463.14932	5.7
559.14532	100.0
559.31805	2.6
560.14856	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	559.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	5.2
61.98829	4.7
63.02401	0.9
65.87617	0.9
69.03472	1.1
71.01378	2.2
73.19171	0.8
85.02968	1.7
85.53648	0.9
89.02428	0.9
92.24075	0.8
93.03472	1.3
96.95991	1.1
98.22510	2.3
99.00866	1.1
101.02459	1.7
105.03480	1.1
107.01381	1.7
109.06629	1.3
113.02462	1.6
130.30415	0.8
133.02972	9.0
135.04533	1.1
139.04077	1.0
151.00351	2.9
158.03737	1.4
161.02397	2.2
169.01465	1.0
174.03227	1.2
177.01962	1.7
186.03209	3.6
189.02019	1.2
190.02748	1.5
191.05612	3.1
197.11769	1.4
198.03354	0.9
199.04028	2.1
203.03554	1.2
207.10225	1.0
214.02698	7.4
215.03246	1.3
216.00595	1.3
217.01468	0.9
227.03494	2.0
241.01445	30.7
242.02211	16.0
243.02885	3.0
245.00897	23.2
270.01712	53.6
271.02460	24.7
272.02856	1.2
273.00330	2.1
285.07938	0.9
285.22113	1.0
298.01190	39.2
299.01978	58.2
300.02481	4.2
303.42389	0.9
385.62064	0.9
396.08463	4.6
397.09140	1.5
424.13916	5.4
433.07849	1.1
461.07333	7.0
462.07541	6.1
463.14725	2.4
500.46634	1.0
559.14545	100.0
560.14905	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	559.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.9
59.01386	4.9
59.78736	0.7
61.98819	1.2
63.02402	8.9
63.29762	0.6
64.07732	0.6
65.00325	9.2
71.01379	2.6
71.35165	0.8
73.02945	1.1
75.78751	0.6
83.01396	9.3
85.02968	1.2
88.98843	0.7
89.02444	1.5
101.02443	1.5
104.36968	0.6
107.01395	18.2
110.02538	0.6
111.00878	0.9
113.02466	1.5
116.13547	0.6
116.92937	0.6
123.00948	0.7
124.01666	6.4
125.02454	14.5
133.02936	1.1
136.07693	1.9
137.02451	2.0
145.02945	0.9
148.04129	0.6
151.00380	68.3
152.01155	15.3
153.01955	4.1
159.04527	1.3
161.02473	1.0
162.05594	1.7
169.01451	6.8
172.05287	1.0
173.06073	3.5
175.03995	1.0
177.01932	1.8
178.99867	100.0
179.08255	0.7
180.00175	3.7
181.01384	1.3
185.06039	0.7
187.04041	1.2
187.07706	3.0
188.04793	0.6
189.05521	3.5
190.02748	0.9
197.06128	0.9
197.66644	0.7
199.07649	2.4
200.04749	4.4
201.05672	1.1
202.06432	0.9
211.03876	0.8
212.04921	0.8
212.07121	0.7
213.05391	0.7
213.13962	2.7
215.03535	1.4
215.07118	25.7
216.07567	1.6
217.08578	3.5
225.05586	2.1
226.06311	0.9
227.07164	2.8
232.03783	1.3
237.10391	1.3
239.11879	5.2
240.04279	1.0
241.01445	0.6
241.05061	3.1
241.09102	0.8
242.05728	1.4
243.06618	2.8
253.05060	4.6
254.05814	1.6
255.03006	1.5
255.09695	0.7
265.08566	1.0
268.07190	0.9
269.08286	1.1
270.05283	1.2
271.02493	3.7
271.06128	9.2
272.06424	1.0
278.05838	0.7
283.09958	0.9
291.06619	1.0
293.08203	2.3
296.03009	1.1
299.01981	1.6
300.02686	7.0
305.08090	1.0
307.09570	0.7
309.04083	0.6
309.07584	1.0
311.05988	0.7
311.09445	1.8
321.04083	0.9
322.04929	2.0
323.09207	1.0
325.07178	1.5
333.07690	2.7
335.09329	1.5
336.06451	0.8
351.08569	1.0
353.06607	2.7
361.07315	1.3
378.07584	1.7
378.18274	8.0
379.08231	8.6
379.16586	2.3
396.19254	4.7
397.09280	63.5
398.09650	5.4
433.11438	3.3
439.47858	0.6
491.92023	0.7
559.14557	39.8
559.25684	1.8
559.34174	1.7
560.15039	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	559.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77423	1.2
57.03450	3.5
59.01386	12.4
61.00231	1.2
61.98838	3.1
63.02410	9.8
65.00323	11.7
69.29385	9.5
71.01379	6.8
83.01398	10.0
85.02972	3.6
88.98831	3.3
89.02453	4.7
92.87551	1.3
93.03468	4.6
95.01402	1.9
96.96019	2.3
97.02924	1.4
98.21760	2.4
101.02453	4.3
102.75161	1.3
107.01397	23.6
109.02975	1.3
110.02474	1.9
113.02477	4.1
124.01675	8.6
124.06779	1.4
125.02481	15.1
133.02979	2.4
145.02960	3.0
151.00389	90.8
152.01192	21.0
153.01933	5.0
159.04504	2.0
161.02385	2.3
161.04622	2.0
169.01466	12.1
173.06044	3.5
177.01959	2.0
178.99878	100.0
180.00253	2.6
187.03970	2.2
187.07698	4.6
189.05598	5.5
191.05630	10.3
197.06004	1.4
199.07664	2.2
200.04854	4.4
201.05612	2.2
209.06039	1.2
212.04660	2.0
214.02829	1.3
215.07130	24.7
216.07732	2.5
217.08669	4.6
225.05600	2.9
227.07210	5.5
232.03944	1.6
239.03177	1.8
241.01315	1.5
241.05077	3.2
242.06032	1.3
243.06628	2.8
253.05115	4.8
254.05621	1.5
255.02957	1.8
257.08182	1.5
263.07257	1.4
269.08176	2.6
270.01715	2.7
271.02548	3.4
271.06165	6.9
280.62262	1.5
281.17355	1.7
289.08762	1.6
293.07999	1.8
296.03326	1.9
299.01996	1.4
300.02820	6.2
305.08301	2.0
308.03467	1.7
322.04773	2.9
324.24023	1.5
333.07709	8.3
350.04391	1.6
351.08649	2.0
353.06781	5.3
361.07135	12.7
378.07700	3.7
379.08282	18.7
397.09320	59.5
398.09863	4.5
433.11499	2.1
559.14636	50.5
559.34558	6.6
560.14954	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	559.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20748	0.9
57.03441	1.5
59.01375	12.6
61.98829	1.1
63.02412	4.6
65.00323	11.3
69.15649	7.2
69.76894	0.9
71.01373	6.0
72.99315	0.8
73.02930	1.2
76.55920	0.9
83.01391	8.7
85.02962	4.4
87.00877	2.7
88.98811	2.9
89.02448	5.4
93.03470	3.0
95.01453	1.0
96.96004	8.2
96.96952	1.2
101.02449	3.9
107.01393	19.4
109.02990	1.6
113.02440	4.1
113.77499	1.0
117.53349	1.1
119.03482	2.6
119.05000	1.1
124.01685	8.5
125.02463	6.7
139.04028	2.1
145.02962	1.3
151.00378	100.0
152.01173	20.1
153.01862	1.0
161.04579	1.1
163.04039	1.3
165.01883	1.3
169.01447	12.2
173.04585	1.2
173.06064	1.3
173.08194	2.2
178.99873	27.2
187.07617	3.6
188.08351	1.0
189.09227	1.4
191.05612	9.2
199.07587	2.5
200.63246	1.0
201.05501	1.5
213.05423	1.3
215.07135	4.9
216.07838	3.3
217.08704	2.3
225.05560	3.0
227.07146	6.5
229.05095	1.6
231.06726	1.2
237.09166	1.3
239.07123	1.0
241.08656	1.4
246.06902	1.9
249.05579	1.8
253.05026	5.4
257.08197	2.2
261.09152	1.5
263.07010	1.3
267.06674	1.9
269.07980	1.1
274.06366	2.2
277.08649	1.0
279.03137	1.1
289.08713	2.8
290.05811	3.1
291.06534	2.5
293.04633	1.8
293.07965	1.6
305.08057	5.4
308.03223	2.8
321.04053	1.9
333.07721	20.1
334.08026	2.0
336.02893	1.2
339.12027	1.1
350.04233	4.1
350.07980	1.4
351.08786	3.2
353.06747	8.6
361.07196	39.7
362.07291	3.3
362.67136	1.2
367.11789	1.4
378.07495	7.6
379.08228	32.7
380.08487	1.9
396.08578	1.5
407.13693	2.7
433.11533	1.5
541.13293	1.3
559.14581	20.1
559.27618	3.4
559.35010	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	559.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98095	2.9
54.58136	3.1
59.01386	48.7
70.82463	8.6
71.01389	28.6
74.44831	3.7
85.02929	5.1
88.04049	7.9
89.02451	28.9
101.02451	19.9
113.02470	10.5
117.05581	5.4
119.03510	16.6
211.65314	3.8
218.10268	11.6
279.10867	100.0
481.00769	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	559.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
61.16325	28.6
68.13876	27.9
70.47751	100.0
90.99274	27.3
134.71791	25.5
150.54012	28.8
197.48006	27.7
207.10307	87.1
331.33099	29.5
347.85510	31.3
349.16681	32.8
424.33527	32.0
443.77969	28.8
454.46622	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
57.03444	0.6
59.01085	0.6
59.01382	10.9
60.42506	0.3
61.98821	0.5
64.23923	0.3
65.73680	0.3
71.01392	12.5
72.99301	0.6
73.02957	3.8
79.95712	0.4
83.01400	1.5
85.02958	5.5
86.00111	0.8
87.00870	2.7
88.98793	0.4
89.02454	5.5
95.01408	1.1
96.96023	6.7
97.02993	0.5
99.00889	1.1
101.02454	8.3
104.05070	0.6
106.06636	85.9
107.06963	2.4
108.08206	0.4
113.02461	8.4
118.06618	0.6
119.03541	1.8
125.02467	0.8
131.03517	3.1
132.04549	0.5
143.03563	1.5
150.05620	100.0
151.00426	0.4
151.05977	3.9
155.03580	0.4
159.03033	0.7
161.04549	4.8
164.07182	5.4
165.07605	0.3
179.05629	3.3
180.05841	0.3
192.06680	7.6
193.07048	0.4
194.04593	8.5
206.08264	0.4
211.07671	1.1
221.06659	4.9
222.07602	0.8
236.05547	0.9
252.08823	3.3
263.07715	0.9
294.09924	0.5
296.07761	2.1
301.03366	0.3
312.10904	1.0
327.08804	0.4
338.08823	1.7
354.11957	13.7
355.12323	1.0
356.09866	4.0
394.55682	0.4
398.10995	6.5
399.00409	0.5
399.11069	0.7
487.68643	0.3
542.14850	2.2
560.16235	14.7
561.16644	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26500	0.6
50.49061	0.5
58.80395	0.5
59.01368	0.9
69.32118	1.5
69.32540	2.3
71.01373	0.8
93.03463	62.6
94.03789	1.0
121.02850	0.6
137.02452	100.0
138.02788	2.1
160.73422	0.5
178.92929	0.5
179.03593	0.6
241.93501	0.5
299.07782	4.0
371.48083	0.6
401.81128	0.6
411.95779	0.6
443.07297	0.9
486.97736	0.6
492.07089	0.5
566.78638	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45967	1.2
59.01383	11.0
60.68552	1.1
60.99307	15.4
71.01373	3.4
88.98817	100.0
89.02470	2.4
94.93359	1.1
98.02486	3.1
101.02438	2.9
113.02468	1.8
119.05029	3.6
145.02992	2.4
161.02487	2.5
163.04008	2.4
211.07373	2.2
255.06384	3.6
387.68866	1.4
477.09631	1.4
480.72998	1.4
563.13000	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	563.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46494	0.9
57.98990	0.8
69.84368	4.2
78.95914	8.0
85.56763	0.9
87.90556	1.0
138.90895	0.9
152.99629	4.7
154.32089	1.1
168.04306	1.3
212.37621	0.8
216.43265	1.0
224.07027	0.9
242.07994	3.1
245.04297	2.8
253.21875	1.9
281.24899	100.0
282.25165	7.6
481.25934	3.4
506.32629	32.7
507.32877	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	565.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83096	5.1
55.01882	9.0
57.03454	14.2
59.01384	13.6
69.09493	16.8
69.09924	25.6
71.01385	14.8
72.15752	4.4
83.01395	39.6
85.02954	12.0
85.03450	4.3
87.00893	4.4
94.03007	23.5
94.69179	4.2
98.22555	6.7
99.00906	6.7
103.10123	4.3
111.00879	24.3
129.01965	100.0
129.02818	3.5
135.04849	14.4
137.02477	5.9
137.07262	4.6
143.03505	10.9
147.03003	32.6
161.04581	7.8
195.21484	4.0
223.04645	7.7
223.06906	23.5
224.05531	10.1
263.92868	4.2
281.00607	5.7
301.16245	4.5
334.12799	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	565.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24797	4.0
52.58651	3.8
55.01886	12.9
57.03451	9.3
59.01384	6.1
69.64326	20.0
69.64729	7.6
71.01386	12.2
83.01402	36.3
85.02959	11.7
94.02981	11.6
98.21854	8.7
99.00873	9.1
111.00910	11.3
129.01958	100.0
143.03516	13.2
147.03018	28.1
156.74048	4.7
161.04597	7.5
194.45157	4.2
223.04773	6.1
223.07202	6.1
299.45465	4.1
340.57458	4.6
484.41507	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	565.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47289	0.4
56.79110	0.5
58.02964	0.8
59.01392	4.0
61.98841	1.1
66.03487	1.0
69.71793	0.5
71.01402	3.4
71.01730	0.6
71.29311	0.8
71.29659	0.6
73.02954	0.9
82.02971	0.6
83.01400	1.3
84.04560	18.0
84.05067	0.9
85.02977	2.0
89.02466	2.6
93.03475	0.9
94.02998	0.9
96.04578	0.5
96.96059	0.9
97.02949	0.8
101.02457	2.7
110.02496	100.0
111.00928	0.8
111.02847	1.3
112.04067	1.7
113.02470	3.5
117.03477	4.1
119.03651	0.7
119.05041	11.8
121.02984	0.9
124.04063	0.6
126.27971	0.6
127.23776	0.5
128.03552	1.7
131.03502	1.0
133.06633	0.6
136.07684	0.7
145.02977	15.3
145.04128	1.0
146.03334	0.6
146.31714	0.5
150.85596	0.5
159.04514	1.4
161.06064	1.3
163.02721	1.0
163.04036	12.5
179.05597	1.9
179.10831	0.9
186.09381	0.7
187.04045	5.1
195.07771	29.8
196.06227	0.8
196.08044	1.2
203.59721	0.5
205.05038	0.9
221.06735	1.0
223.09821	0.7
229.09927	1.5
235.06187	0.6
239.06776	20.2
240.07187	0.7
241.10849	1.3
245.09441	0.8
255.11232	0.6
263.07910	1.1
273.08630	1.0
307.08572	0.8
325.09402	1.5
341.11118	0.6
362.30441	0.5
371.08768	0.6
401.11899	0.7
419.13165	1.4
433.10175	0.6
500.51645	0.6
521.13751	0.9
565.15936	7.1
566.17004	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25798	1.0
59.01386	7.6
61.98830	2.3
63.06944	1.5
69.03473	1.6
69.12787	7.8
69.13199	2.8
71.01392	9.6
73.02934	2.5
74.05372	1.1
76.23769	1.1
81.68069	1.0
82.02989	1.8
83.01380	1.8
84.04567	5.5
85.02961	8.5
85.90643	1.0
87.00886	2.5
89.02448	2.9
93.03463	2.8
94.02998	2.2
95.01371	1.5
96.00922	1.4
96.96054	1.4
97.02949	1.6
98.02485	6.4
100.44461	1.2
101.02451	6.4
102.05621	4.3
108.08202	5.1
109.01701	2.7
110.02488	29.3
111.00888	10.6
111.02749	1.5
113.02482	9.3
117.03483	33.0
119.05044	47.3
121.02969	1.8
124.04055	3.0
125.02531	1.3
126.01969	1.4
128.03543	13.1
128.07172	1.8
129.01938	5.1
133.06541	1.1
134.06107	2.4
137.02541	1.4
138.93039	1.1
145.02968	100.0
146.03322	3.6
152.07175	9.4
159.04538	2.2
161.04607	1.8
161.06058	4.3
163.04025	38.6
170.08257	2.3
177.05550	2.6
178.05130	1.8
184.06140	3.5
187.04048	9.3
188.84247	1.2
196.06183	14.8
205.05099	5.0
232.49022	1.3
240.05103	7.3
307.08279	2.3
325.09387	4.9
358.11215	6.1
376.12518	16.1
393.11938	2.1
402.10379	2.2
420.11517	17.1
437.10928	9.2
522.16821	2.9
566.15137	80.5
567.15320	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	566.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69214	0.3
58.00596	0.3
59.01123	0.4
59.01384	4.6
61.98827	0.7
62.32230	0.3
67.01926	0.3
68.99816	0.3
71.01381	3.1
71.31548	0.5
73.02934	0.6
73.38895	0.3
84.04574	0.3
85.02957	2.4
87.00872	0.9
89.02462	2.9
93.03469	0.6
94.03000	0.4
94.98070	0.7
95.01405	0.4
96.95992	0.4
99.00863	0.5
101.02443	2.5
101.45858	0.3
102.05659	0.6
108.08234	0.3
110.02488	100.0
111.00883	4.1
111.02830	2.0
113.02455	1.9
117.03481	2.8
119.03558	0.6
119.05037	5.2
119.83463	0.3
121.02937	0.5
128.03552	26.5
129.01945	0.7
129.03886	0.5
131.03479	0.3
133.02942	0.3
133.06616	0.5
134.06087	0.4
135.04497	0.4
141.02106	0.3
145.01872	0.6
145.02966	9.0
146.04614	0.8
147.04512	0.3
152.07147	0.5
153.01965	0.3
159.04536	1.1
161.04568	1.2
161.05977	0.6
163.04008	3.8
179.05676	2.4
180.06674	0.4
181.12372	2.0
187.04010	2.4
187.07669	0.6
196.06181	2.9
205.05064	0.5
209.04604	0.4
215.07082	0.5
217.04991	0.4
221.06738	1.9
225.11307	0.7
240.05148	21.8
241.05525	1.3
243.12318	1.0
263.07748	1.8
265.07224	0.3
282.54929	0.3
286.23868	0.3
359.15039	0.8
376.12506	0.4
447.18604	0.5
549.22095	0.4
566.15027	4.2
567.15344	0.6
567.22998	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	566.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.9
59.72874	0.5
61.98825	1.3
62.23779	0.5
65.97047	0.4
66.03479	0.6
68.74683	0.4
69.42563	3.4
70.78213	0.4
71.01383	2.2
72.97520	1.3
84.04547	1.0
85.02953	2.3
87.00885	0.6
89.02458	0.9
93.03468	0.7
94.02993	1.1
95.01384	0.5
96.96013	0.5
98.02498	0.5
98.18755	0.4
101.02460	1.2
102.05614	0.6
110.02489	100.0
111.00896	5.0
111.02812	2.2
113.02452	2.3
117.03483	2.9
119.03575	0.6
119.05034	8.9
119.38944	0.4
121.02969	1.1
126.54573	0.6
128.03554	24.5
129.01935	0.8
133.02940	1.2
133.06587	0.9
134.06093	0.6
135.04541	0.9
136.07681	0.9
145.02972	13.6
146.03357	0.7
152.07182	1.3
159.04517	0.5
161.02519	1.0
161.04774	0.6
161.06094	1.3
163.04024	6.8
164.04277	0.9
177.05608	0.6
180.06723	0.7
187.04070	2.1
195.07761	0.9
196.06163	3.6
205.05090	1.3
211.07445	0.5
235.06203	0.7
240.05156	19.6
240.07584	1.0
241.05347	0.6
245.09288	0.6
302.82904	0.5
307.07874	0.5
325.09329	0.6
358.11325	0.9
376.12531	1.5
420.12076	0.7
566.15234	7.6
567.13995	0.6
567.22034	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97587	1.6
59.01092	2.2
59.01383	43.1
61.98836	100.0
69.34088	10.0
71.01400	8.5
73.02950	3.4
83.01388	3.5
84.37970	1.5
85.02958	19.6
85.30330	1.5
87.00893	1.7
89.02438	2.1
95.01389	1.8
99.04514	2.1
101.02454	11.7
105.03497	3.4
105.96649	1.7
109.02943	2.7
111.00905	5.8
113.02466	4.5
121.02952	2.8
125.02419	1.6
127.04024	3.2
129.01959	32.1
129.02870	3.2
130.02182	2.7
132.02159	3.2
133.02975	29.1
134.03799	12.0
135.04565	9.6
136.01683	16.1
137.02449	20.7
139.04073	2.5
151.04005	2.5
159.03008	2.1
160.01649	5.4
161.02414	6.8
161.04515	1.9
175.03970	1.7
177.01915	10.5
178.02690	9.0
179.03452	6.0
195.67921	1.4
200.04758	1.6
220.03751	3.2
229.08725	3.5
230.09015	2.3
257.08157	7.1
275.09247	5.7
293.10226	5.1
317.10498	2.1
372.17413	1.9
399.23849	19.7
407.84332	1.7
408.10620	4.8
409.11188	1.9
417.25012	11.5
432.37540	1.8
437.14453	4.3
438.11752	8.6
452.10291	1.8
454.10648	1.8
459.25952	2.0
470.13983	3.4
535.18317	5.4
549.16315	1.6
566.15948	2.7
567.17004	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	567.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78874	15.0
59.01378	71.2
59.16930	16.7
70.07926	33.1
70.08318	35.3
71.01388	43.8
85.02985	93.3
89.02457	32.1
99.04547	23.7
101.02455	38.7
111.00901	71.9
113.02491	30.0
127.04032	38.8
129.01939	100.0
145.50475	16.9
154.23817	13.8
171.02827	17.4
181.00047	18.8
291.07260	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.7
57.03466	1.5
58.00611	1.8
59.01386	41.7
66.76679	1.5
68.99829	3.3
69.64964	6.5
69.65371	2.9
71.01387	22.4
72.99315	1.8
73.02959	10.3
81.03477	1.3
82.58635	1.4
83.01412	4.7
85.02954	16.8
87.00871	2.3
89.02449	13.3
89.85278	1.3
95.01418	4.1
97.02969	7.0
99.00885	2.3
99.04497	2.2
101.02454	21.0
108.02229	1.4
109.02981	2.9
111.00909	6.4
113.02473	21.6
119.03493	4.6
121.03024	1.5
127.04023	2.2
129.01941	10.0
131.03506	2.1
133.02986	6.5
134.03760	5.0
135.04585	4.2
136.01674	18.3
137.02463	9.7
149.04559	1.6
151.03972	1.7
158.03864	2.2
159.04500	5.5
161.02457	2.5
161.04594	3.0
171.04527	2.2
172.05295	18.7
173.06033	2.8
174.03221	14.2
175.03976	2.0
177.02003	4.2
178.02731	2.0
183.04547	5.1
185.05902	2.0
186.03204	1.9
186.06851	1.7
187.04079	6.5
187.07651	100.0
188.08122	3.2
189.05615	6.8
197.06203	1.5
198.06982	1.6
199.04092	4.6
200.04755	7.0
201.05499	3.4
201.09164	1.8
202.06393	2.4
203.03625	2.0
203.10846	1.7
211.07680	1.7
213.05603	2.0
213.09184	20.3
214.06465	1.5
215.07137	74.2
216.07626	2.0
220.03748	1.8
227.03531	5.5
228.04150	7.6
229.08705	10.9
231.06662	17.6
231.10243	16.0
233.08113	2.7
245.04630	1.8
257.08206	96.2
258.08560	4.1
265.07050	2.4
273.07852	8.7
275.09290	10.6
289.11032	1.8
293.10260	3.3
299.09378	6.3
317.10440	9.6
333.09595	2.9
377.12378	4.8
393.11963	6.1
419.13617	2.0
437.14703	9.6
491.15570	12.3
535.18091	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	567.209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.4
61.98831	2.1
66.42417	0.6
71.01408	1.6
77.03978	1.8
85.02963	3.6
87.00876	1.7
89.02460	0.9
89.03979	0.8
93.03476	1.1
95.05019	4.7
99.00903	2.8
101.02445	1.5
105.03470	14.7
109.02972	1.2
111.00926	0.8
113.02460	1.8
121.02957	2.0
123.04539	1.9
129.01944	3.3
132.02191	7.7
133.02972	100.0
134.03796	9.6
135.04527	9.9
137.02463	8.5
139.04045	3.8
148.05301	0.7
150.03226	2.4
151.03883	0.8
156.38531	0.6
159.04446	0.7
160.01669	11.8
161.02464	18.9
161.04533	1.3
161.06027	0.9
162.03143	1.1
163.04050	1.1
175.04021	1.8
176.04761	3.3
176.20067	0.6
177.01944	22.0
177.05571	2.6
178.02737	16.4
178.04826	1.7
179.03517	14.1
179.05124	0.8
185.28905	0.7
187.07701	1.2
189.05690	0.8
194.02312	1.0
202.02762	0.7
203.03545	6.0
204.04427	0.7
213.09167	0.7
220.03758	2.6
221.04544	2.2
231.10330	0.7
233.04543	1.2
251.05721	1.2
257.08282	2.0
275.09277	2.4
280.05963	1.1
281.06693	3.4
299.09763	0.7
339.07281	2.2
340.08005	8.4
341.08707	9.8
341.12189	0.9
408.10608	2.4
409.11661	1.3
437.14951	0.9
438.11685	69.2
439.12082	5.9
463.40839	0.7
470.14392	9.8
549.16406	1.1
568.36365	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36337	2.0
55.01876	4.9
57.03458	4.1
59.01382	63.1
61.98840	4.1
66.71967	2.1
67.36573	2.2
68.99831	4.5
69.03461	3.6
69.21866	19.9
71.01382	32.4
72.99308	2.4
73.02942	8.6
80.02694	2.2
80.05060	7.2
81.03458	6.7
83.01385	6.8
83.05035	2.6
85.02957	47.4
85.03465	2.7
87.00885	5.3
89.02448	11.1
93.03487	5.0
93.31977	3.1
95.01408	6.8
96.04571	3.3
97.02955	6.0
99.00900	4.5
99.04524	8.6
101.02447	26.5
107.05037	24.4
108.02206	5.9
109.02965	9.3
109.06609	33.4
110.06116	8.3
111.00894	22.1
111.04510	3.0
113.02433	23.7
116.76230	2.4
119.03499	7.5
119.05063	2.6
121.02975	4.5
123.08165	4.5
125.02435	3.0
125.42136	2.3
127.04029	9.0
129.01949	44.4
133.02956	7.0
134.03729	12.6
135.04530	39.1
136.01675	100.0
137.02469	35.1
139.04053	4.2
143.03456	3.2
145.02936	3.3
149.02415	3.3
150.03201	5.6
151.04039	7.0
153.05597	36.0
158.03728	3.3
159.03133	2.6
159.04515	7.5
161.02473	4.3
161.04593	8.1
162.54834	2.0
165.05498	3.8
171.03041	2.3
172.05327	7.6
173.06107	9.7
175.07600	3.3
177.01941	9.8
179.03397	2.6
179.72440	2.3
183.04475	4.9
185.02449	6.9
185.06139	2.5
187.04037	7.0
187.07668	30.4
189.12862	5.3
196.09793	10.2
197.10132	4.5
199.03958	4.7
200.04738	12.9
201.05518	4.6
201.08961	2.4
202.06392	7.7
205.08771	3.4
207.13892	7.0
209.20929	2.3
211.03989	3.3
213.05562	7.6
213.09232	10.8
214.06340	2.8
215.07132	36.4
216.07544	3.2
222.25883	2.5
227.03429	2.6
228.04317	5.7
229.08670	6.1
231.06650	5.8
231.10223	21.9
233.08147	19.6
237.04005	2.3
245.08110	2.7
245.74533	2.4
247.09828	2.4
257.08203	52.1
257.88562	2.3
258.08344	4.2
275.09232	18.6
293.10428	7.1
299.09244	12.2
307.11935	4.2
317.10248	13.6
331.11801	3.0
333.08145	4.6
335.11255	2.9
341.10303	2.5
377.12619	3.9
405.24948	5.7
437.14612	18.8
448.65512	2.5
535.18091	9.8
549.16437	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	568.144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00151	0.3
57.03457	0.3
59.01384	1.7
61.98834	100.0
69.63409	0.3
70.61370	0.4
70.61705	0.6
71.01393	1.6
73.02958	0.4
76.42362	0.3
82.09383	0.3
85.02964	1.7
89.02464	0.9
95.05046	0.3
96.96012	0.3
101.02498	0.6
107.55811	0.3
113.02470	1.3
128.99309	0.8
129.01979	0.9
131.03636	0.3
133.02968	3.7
134.03442	0.6
135.04546	0.8
136.01740	0.5
137.02477	1.1
145.02950	0.6
145.06204	0.5
149.04552	0.4
160.01620	0.3
161.02411	0.9
161.04576	0.3
169.06104	0.5
170.06511	0.3
177.02003	1.4
177.05351	0.3
178.02657	1.0
179.03476	0.8
187.07680	0.5
191.05766	0.4
203.03650	0.3
211.13396	0.5
213.04991	1.4
214.05493	0.9
220.83772	0.3
247.09840	0.7
341.08731	0.6
345.17224	0.7
369.70044	0.4
438.11621	0.6
439.12210	1.2
496.17142	0.3
568.18658	0.4
568.36566	1.4
569.27930	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34434	1.6
59.92961	1.7
61.98823	7.5
70.04240	1.4
83.66016	1.8
96.86405	1.7
106.06636	4.4
134.06148	27.1
135.04533	1.7
136.07701	5.2
227.08281	3.3
243.07767	4.5
253.06320	2.1
255.07722	2.8
296.70248	1.8
297.09213	2.1
372.13687	2.4
374.15289	4.3
375.12125	3.8
384.13672	2.2
390.14807	8.3
391.15524	7.2
398.11478	2.9
400.13080	4.5
406.18103	1.8
412.13171	2.2
413.13812	2.9
439.11661	2.1
450.16791	20.6
454.14145	2.3
460.18939	3.9
476.18427	5.4
477.19058	2.1
477.47540	1.7
486.16769	11.7
504.17682	3.9
518.19226	3.4
525.25153	1.9
536.20410	100.0
537.20807	11.7
568.23004	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	568.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.0
59.34742	0.7
62.07075	0.6
71.01387	1.8
72.97546	0.7
76.76309	0.7
85.02941	1.8
89.02466	1.1
94.02992	100.0
95.03311	1.9
96.96020	2.6
97.22593	0.8
101.02424	1.6
110.02477	1.4
113.02441	2.2
119.05048	1.3
145.02992	1.8
179.05597	0.7
180.06671	57.6
181.07021	1.2
187.04016	1.2
211.07671	1.4
243.02675	0.9
277.05148	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12600	4.5
59.01382	23.4
69.03457	12.5
71.01386	34.3
71.27606	5.1
84.37717	3.9
85.02958	9.3
89.02457	17.7
99.04525	5.0
101.02522	4.7
104.56102	3.8
105.49640	4.2
111.00887	6.6
113.02470	100.0
116.39050	4.3
119.03516	12.1
129.01958	13.3
179.05630	19.0
247.27518	3.6
291.07153	8.9
293.08636	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	569.173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12600	4.5
59.01382	23.4
69.03457	12.5
71.01386	34.3
71.27606	5.1
84.37717	3.9
85.02958	9.3
89.02457	17.7
99.04525	5.0
101.02522	4.7
104.56102	3.8
105.49640	4.2
111.00887	6.6
113.02470	100.0
116.39050	4.3
119.03516	12.1
129.01958	13.3
179.05630	19.0
247.27518	3.6
291.07153	8.9
293.08636	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	570.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.1
61.98834	100.0
68.64179	0.3
70.76079	0.7
71.01395	1.2
74.00953	0.2
75.00240	0.3
85.02999	0.4
89.02486	0.4
93.03471	0.3
96.96095	0.3
101.02459	0.4
109.03007	0.7
113.02470	1.6
133.02969	1.5
134.03729	0.8
135.04520	0.4
136.01729	0.9
137.02521	0.8
151.04031	0.3
162.02855	0.3
173.08286	0.9
177.01985	0.7
179.03534	0.5
191.05661	0.5
195.03181	0.3
201.05586	0.3
202.02841	0.3
211.13582	0.7
212.13818	0.3
220.03946	0.3
221.43311	0.3
279.06973	0.3
332.68057	0.3
340.08173	0.4
345.17291	0.3
346.17560	0.6
408.17770	0.3
416.37555	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.7
59.01390	18.5
61.98840	3.2
69.38196	5.3
71.01393	9.3
73.02942	2.4
80.05065	1.2
80.96578	0.6
83.01408	1.1
85.02949	4.1
87.92701	0.6
89.02456	6.2
93.03471	1.6
95.01379	1.6
101.02456	5.1
108.02209	0.7
109.02972	1.1
113.02454	10.4
117.03474	5.5
119.03558	2.1
119.05035	14.5
121.02968	100.0
122.03307	3.5
133.02980	1.9
133.06618	1.9
134.03746	1.2
135.04480	0.9
136.01682	1.7
137.02435	1.7
143.03482	0.8
145.02977	18.0
147.04532	2.6
147.82204	0.7
159.04512	0.7
161.02498	0.9
161.06102	3.2
163.04025	13.6
164.04425	0.7
171.64307	0.7
177.01967	1.5
177.05629	1.9
178.02626	1.0
179.05643	1.5
181.05070	3.2
187.03979	1.5
205.05066	3.0
215.07013	0.8
248.87447	0.7
406.15060	17.3
407.15692	0.8
448.16074	14.6
449.16412	1.8
481.92047	0.7
505.68906	0.7
508.20013	1.7
552.18805	22.1
553.19214	3.1
570.19879	29.7
570.28973	1.5
570.37579	1.0
571.20142	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	570.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
69.69238	0.4
69.69646	1.2
73.84925	0.2
107.45670	0.3
232.83653	0.3
261.40152	0.3
303.99738	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
92.50688	0.6
94.37109	0.5
98.21723	1.4
247.44437	0.7
291.93805	0.7
315.23825	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99487	0.7
61.98835	100.0
69.04793	7.3
117.47635	0.7
128.55745	0.8
140.93353	0.8
144.72719	0.7
160.84180	1.1
368.80957	0.8
421.64920	0.9
587.74451	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14571	0.6
59.01389	17.6
69.47754	3.9
70.36940	0.6
71.01381	2.5
73.02946	0.9
78.56843	0.7
78.95177	0.7
78.95921	5.8
79.95748	3.0
82.67314	0.6
83.04997	0.6
85.02959	1.5
87.00863	0.8
96.96024	100.0
96.96920	6.8
97.93164	0.7
99.92636	0.8
101.02468	2.0
113.02444	1.5
113.92642	1.0
114.93436	5.1
115.92073	1.3
116.81419	0.6
116.92868	6.2
119.05043	1.0
130.89566	0.6
144.39799	0.7
145.02977	2.0
159.03041	0.7
189.12930	1.3
211.07625	2.0
373.12830	0.9
409.15173	1.0
409.19989	1.1
429.21481	1.0
485.17160	2.6
571.12286	1.8
571.25214	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	571.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35477	0.6
57.03443	2.4
59.01390	5.5
61.98829	1.4
67.72578	0.5
71.01390	3.0
71.16889	0.7
71.17229	0.6
73.02947	1.3
78.83400	0.5
85.02959	2.0
87.00861	1.0
89.02442	1.7
95.05045	0.6
101.02465	1.4
113.02451	2.2
115.03960	0.7
117.21377	0.5
119.05082	0.7
123.69095	0.5
125.09709	1.2
127.05136	1.8
127.11250	0.7
133.02966	1.4
134.03836	0.7
135.04524	1.1
137.02509	1.4
137.09726	0.9
145.06145	1.1
155.07201	0.6
161.02429	1.3
161.04527	1.2
163.04030	0.7
171.10286	2.7
173.08163	2.5
178.02705	1.4
179.03606	0.5
257.08127	0.7
275.09436	0.5
341.08374	0.6
355.25009	0.8
371.24249	0.6
373.25964	100.0
374.26306	8.1
474.13950	1.3
511.25549	2.3
535.18671	0.7
553.29626	0.9
571.29364	9.9
571.37970	3.8
572.29706	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29035	1.4
57.03436	1.7
59.01383	20.0
61.98829	6.8
63.77883	1.8
70.57454	1.9
70.57818	4.6
71.01373	5.1
72.89439	1.4
83.05013	1.6
85.02933	1.8
89.02437	1.8
94.79515	1.5
95.05039	1.7
97.06597	20.7
111.04523	10.2
113.02458	3.8
113.09730	2.9
123.08289	1.6
125.06039	2.2
127.07655	5.3
133.02936	1.8
139.07669	19.6
141.91493	1.5
152.04837	2.3
157.08707	100.0
158.09068	1.8
169.08723	3.2
187.07658	2.8
187.09758	6.9
209.11855	1.7
215.07140	4.7
217.22418	1.5
223.46106	1.5
229.08713	5.4
231.28741	1.8
262.10300	1.7
316.09467	2.0
335.18665	13.2
436.13553	3.3
443.26453	3.1
465.15594	1.9
467.30130	5.3
475.26663	1.9
493.28030	18.0
511.28940	3.5
527.32556	2.3
552.98145	1.7
553.30334	15.3
571.31207	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	572.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.6
58.99598	1.3
59.01386	10.2
60.18584	1.2
61.30852	1.0
61.98837	3.2
66.03472	1.6
69.03465	2.1
69.31409	2.6
69.31821	6.9
70.32465	1.3
71.01375	3.8
73.02958	1.5
85.01179	2.9
85.02934	1.7
89.02485	1.9
93.21442	0.9
93.62209	1.0
101.02454	3.7
107.08685	1.2
107.45986	1.0
113.02512	2.9
115.02206	2.4
116.07184	1.8
133.10222	3.9
135.11818	27.7
147.11815	4.8
163.80130	1.0
165.12820	1.9
179.10805	2.7
191.10789	1.7
199.11607	1.7
209.11833	62.0
210.12161	2.0
243.10596	100.0
244.11011	4.7
323.16071	1.5
324.16376	1.6
328.10358	19.9
329.10638	1.3
348.16577	1.7
452.97430	1.3
463.79343	1.3
465.38937	1.3
537.19977	1.7
572.21527	21.2
573.22003	2.6
573.31268	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	572.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
69.03772	2.3
69.04191	0.3
69.83388	0.2
87.65176	0.3
124.33530	0.3
231.82936	0.3
258.66837	0.3
392.76358	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41049	0.3
59.01380	3.0
60.78334	0.3
65.92970	0.4
69.00043	0.7
69.00443	3.8
71.01388	2.1
72.99280	0.5
73.02957	0.4
83.01407	0.5
85.02940	0.8
87.00902	0.4
89.02445	1.0
93.03516	0.7
96.96033	4.1
98.95610	2.9
98.96470	0.7
99.00909	0.8
99.92590	14.8
100.92616	0.8
100.93343	0.9
101.02473	1.3
103.00397	0.5
108.91003	0.3
110.46339	0.3
113.02472	1.0
115.92087	25.7
116.92867	100.0
117.92896	4.0
117.93669	0.7
119.05013	1.1
141.93698	0.5
142.94440	0.5
145.02994	1.3
145.65685	0.3
149.04550	0.4
163.04079	0.7
169.93073	0.4
183.94699	0.8
184.91833	2.3
186.93445	0.4
191.05534	0.5
196.95436	0.4
211.07640	3.2
216.88702	0.3
222.03679	0.4
223.07706	0.5
265.08737	0.8
279.12558	0.4
327.08743	0.6
329.13904	0.5
373.12991	0.8
406.76752	0.3
433.09360	0.4
451.10428	2.2
469.11865	1.6
487.12863	3.3
493.11911	1.6
511.12613	2.1
529.13855	5.2
530.13843	0.7
537.10779	0.4
554.29651	0.5
573.12769	16.4
574.12744	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	573.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.1
59.01384	8.1
61.98819	2.5
71.01385	3.6
71.31692	0.8
73.02934	1.7
77.54781	0.6
85.02953	1.7
89.02435	2.0
93.03483	0.6
95.05013	0.6
96.95999	0.6
101.02449	2.9
102.05606	0.8
113.02457	2.4
116.92871	0.6
119.03486	0.8
125.09676	1.6
128.03525	1.4
129.87617	0.7
133.02950	1.7
135.04558	1.0
137.09712	0.8
145.02974	0.8
155.10771	1.1
161.02475	1.5
171.10280	3.5
173.08342	0.9
185.06215	0.6
187.07658	0.9
201.11377	0.7
215.07201	0.8
229.08743	0.8
231.10434	1.0
257.08115	1.1
317.10431	0.6
329.23380	0.7
355.24814	0.9
357.26355	1.6
373.25961	47.0
374.26367	5.6
375.27496	100.0
376.27850	7.4
406.17825	0.9
440.13269	1.4
445.24512	1.0
474.08005	0.6
537.19586	0.8
555.31592	0.7
571.02753	0.7
573.30316	16.4
574.29376	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	573.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	17.3
70.05021	5.8
71.01384	4.1
81.62351	2.0
85.02985	1.6
88.82447	1.6
89.02472	5.2
101.02439	5.6
113.02462	2.4
119.03525	2.6
161.04504	2.3
161.93867	1.6
253.09317	26.4
277.21744	100.0
278.22134	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	575.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43911	1.5
59.01377	9.7
60.99301	14.6
61.98820	4.6
71.01365	4.1
71.30540	1.7
85.02953	2.7
87.00872	5.2
88.98812	100.0
95.01357	1.6
101.02461	2.2
105.03476	2.7
105.24600	1.6
113.02451	2.0
117.81196	1.7
128.12691	1.7
133.02982	16.4
134.03699	5.9
135.04520	5.0
135.88878	1.8
137.02441	7.4
143.96915	1.5
148.05325	20.6
148.90971	3.6
158.65372	1.8
161.02486	10.0
163.67470	1.5
177.01938	4.4
178.02708	4.8
179.03441	4.7
195.35971	1.6
213.08601	1.7
279.08731	4.9
346.05219	1.9
370.01566	1.7
413.07779	1.7
427.27182	2.5
440.13211	47.2
441.13678	6.7
442.13968	7.3
489.13681	8.9
493.16623	2.2
537.19751	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	575.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16790	0.8
59.01374	4.6
61.98858	1.1
62.88731	0.7
64.70290	0.7
71.01376	1.2
71.31852	0.7
71.47157	0.7
79.52009	0.6
85.02969	1.0
101.02465	0.9
113.02424	1.0
117.03396	0.7
121.02985	2.5
121.05362	0.9
122.06139	32.6
123.06507	1.0
134.06143	4.3
136.06738	1.1
136.07692	11.9
145.02977	1.3
147.04539	1.3
148.05357	1.6
149.00528	0.6
152.07260	1.1
155.83418	0.6
161.04924	0.7
161.05974	0.7
161.07220	12.1
162.05609	4.9
173.07190	11.7
187.08832	3.9
188.09552	10.6
189.10338	6.5
191.03545	1.6
191.07141	2.0
200.06079	0.8
207.06573	0.8
211.07700	1.0
213.06686	6.4
213.10278	1.7
214.07497	4.6
215.08267	100.0
215.11757	2.6
216.08557	5.2
223.07565	0.9
232.08594	3.3
233.09305	7.4
235.06067	1.1
239.07147	2.1
241.09851	39.9
242.10181	2.2
249.05609	1.1
251.07132	3.2
252.07674	0.8
255.11465	1.1
259.10794	2.7
263.07205	2.3
264.08047	1.2
265.05209	1.3
265.08636	1.4
266.05737	3.3
267.04074	0.9
267.06683	7.1
277.04971	0.8
278.05820	1.0
279.06573	5.7
281.08176	1.9
282.08920	5.4
293.04742	0.9
294.05365	6.6
294.08755	1.6
295.06018	1.7
297.11432	1.2
307.06110	1.1
309.07709	6.8
310.08453	1.2
322.08444	1.8
323.05612	4.0
323.09137	1.1
325.07239	1.5
326.07983	2.9
327.08749	0.9
327.12482	0.9
338.07977	9.3
339.08447	0.9
340.09467	1.2
341.10306	21.1
342.10556	2.0
353.10336	26.2
354.10635	2.4
364.16690	33.8
365.16928	3.2
369.02051	0.7
371.11389	15.4
372.11722	2.5
382.17844	4.6
383.18198	0.8
393.30835	0.7
394.17761	24.3
395.14127	1.0
395.18396	1.3
412.18796	31.4
413.19287	2.4
494.11661	0.7
537.20013	0.9
575.17468	2.1
575.25208	25.9
576.26215	3.7
576.33783	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86169	0.6
59.01384	3.8
61.98828	0.9
62.51493	0.7
63.34703	0.6
63.37692	0.6
63.81619	0.6
69.26640	0.6
71.01372	1.1
87.00835	0.8
88.98835	0.6
89.02469	0.8
93.03445	1.3
95.33009	0.7
98.22589	1.6
101.02441	1.0
113.02419	1.0
116.79613	0.6
121.02956	2.7
122.06129	38.6
123.06503	1.1
134.06129	4.7
134.35622	0.7
135.04539	0.6
136.07683	12.0
145.02934	1.5
147.04521	1.0
148.05260	1.7
152.07166	0.8
161.05988	1.0
161.07220	11.4
162.05629	5.1
173.07202	12.7
180.06644	0.8
185.07185	0.8
187.08809	3.8
188.09557	9.8
189.10315	6.5
191.03580	3.2
191.05484	0.9
191.07173	2.3
192.04375	1.0
199.05190	0.9
200.05948	1.0
202.52489	0.6
205.04971	0.7
209.06102	0.8
211.07510	0.7
213.06717	5.5
213.10365	0.9
214.07495	5.1
215.08255	100.0
216.08614	3.6
221.06105	0.9
222.06779	0.8
223.07574	1.6
229.54347	0.9
232.08487	3.6
233.09343	7.8
238.04655	1.0
239.07178	1.8
241.09822	39.7
242.10147	2.2
249.05457	1.1
250.06264	1.4
251.07036	3.8
253.08813	0.9
255.11333	0.8
259.10864	3.0
263.07224	1.8
264.07816	1.3
265.05032	1.1
266.05847	3.7
267.06595	8.3
268.07153	1.0
277.05087	0.8
278.05911	1.0
279.06699	6.2
280.07043	0.8
281.08231	2.9
282.08875	5.9
294.05371	6.6
294.08911	2.8
295.06161	1.7
297.11191	1.4
300.02081	0.6
309.07697	8.2
310.05026	0.9
310.08469	1.6
321.07864	0.9
322.08466	2.2
323.05606	5.8
323.09012	1.4
325.07135	2.1
326.07901	2.9
327.08841	0.7
327.12531	1.4
338.07941	12.0
339.08209	1.4
340.09528	1.0
341.10309	23.0
342.10641	2.0
353.10281	31.5
354.10663	3.8
364.16675	34.0
365.16937	3.9
371.11343	19.3
372.11743	2.4
376.16733	1.1
382.17694	4.6
394.17691	24.8
395.14749	2.2
412.18784	32.8
413.18988	3.1
545.16412	0.8
557.24713	1.0
575.17480	2.5
575.25146	25.6
576.17682	1.0
576.25916	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	576.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
69.86893	2.4
78.98620	0.6
79.95770	0.7
80.96526	5.0
94.20663	0.5
94.98084	1.4
96.55833	0.5
104.48809	0.5
119.87927	0.6
164.98715	0.9
173.23782	0.5
174.24077	0.6
225.00865	0.8
232.30176	0.6
252.18080	0.5
257.55527	0.5
464.44080	0.6
561.26959	0.6
577.26965	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	576.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.69296	0.5
64.10537	0.5
65.80527	0.4
69.29571	3.1
71.01376	0.9
78.98605	0.8
79.95758	1.5
80.96521	10.4
80.96973	0.6
85.42712	0.5
88.18633	0.5
94.98097	3.1
98.21785	0.8
104.18163	0.4
125.02514	0.8
134.97643	0.7
135.39088	0.5
148.00856	0.5
148.99141	0.8
152.98643	1.0
164.83652	0.4
164.98663	1.2
195.62767	0.5
225.00839	1.8
253.21748	0.6
302.40488	0.4
400.28839	0.4
508.90894	0.5
565.42108	0.5
577.26862	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	577.1565
Annotation	Kaempferol-3-Rhamnoside-7-Rhamnoside
Peak:m/z	Relative Intensity
51.17019	0.3
57.69448	0.3
59.01357	0.3
62.29934	0.3
63.02416	0.4
65.00323	0.4
68.28631	0.3
76.17730	0.3
83.01374	0.6
93.03446	1.3
98.22527	0.8
107.01394	0.9
117.03464	1.1
128.07892	0.3
133.02916	0.3
135.08846	0.3
141.07068	0.4
143.05016	0.5
151.00369	1.5
154.04250	1.1
155.05003	0.6
159.04524	1.0
163.00281	0.5
165.02092	0.3
167.05067	0.7
169.06601	2.1
171.04460	0.7
173.02386	1.1
183.04573	2.2
185.06079	1.8
187.04010	1.4
189.05591	1.6
195.04532	0.7
199.03879	0.8
201.05612	0.5
211.04051	1.9
212.04520	0.4
213.05615	3.1
214.02734	1.1
215.03648	0.8
227.03488	4.5
228.03835	0.4
229.05017	1.7
239.03522	1.7
241.05048	0.8
243.02992	1.5
246.34222	0.3
255.02997	36.7
256.03455	2.7
257.04578	3.1
258.90289	0.3
283.02487	65.6
284.03052	6.7
285.04053	100.0
286.04379	5.7
315.70908	0.3
430.09052	19.0
431.09821	64.4
432.10168	5.5
577.15631	31.4
578.15961	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	577.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77318	1.1
59.01387	100.0
60.01714	1.6
65.71169	1.0
69.35930	6.4
71.01382	4.0
71.79466	0.9
76.85293	1.0
85.23322	1.0
89.02466	2.0
93.03484	2.1
96.96011	6.6
101.02486	1.4
110.63988	0.9
113.02467	2.1
119.05074	1.3
122.06159	2.5
123.06468	1.3
134.03738	1.4
136.01683	1.5
137.02509	1.2
145.03035	1.3
151.00308	1.3
161.02483	1.3
161.07225	1.6
162.03322	1.1
176.26404	1.1
191.05650	5.9
207.06610	1.6
215.08296	6.4
216.08597	4.3
217.08830	1.6
235.07637	1.2
237.05623	1.5
241.10016	1.2
242.10178	1.8
249.05447	1.4
251.07144	3.5
266.09518	1.8
267.06583	7.3
277.05286	1.3
279.06631	19.2
281.08496	1.4
285.04031	1.1
290.05963	1.3
291.06613	9.7
292.07419	4.8
294.09067	4.9
295.06131	21.8
296.06747	2.3
296.10049	1.2
305.08545	1.4
306.08972	8.9
307.06183	33.0
307.09537	1.9
308.06601	3.3
310.08475	22.9
311.08804	1.8
321.07803	3.9
322.08505	17.9
323.08853	1.6
325.07458	0.8
325.10834	60.8
326.11261	4.1
337.10840	97.3
338.11258	8.2
353.06433	1.6
353.10400	1.3
355.11234	1.8
366.17575	1.5
372.11868	1.2
373.12692	3.9
414.19257	2.0
559.14648	2.2
577.26147	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	577.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92495	0.3
59.01385	1.0
61.21127	0.4
61.98827	1.8
63.96263	0.9
69.03462	0.7
70.64333	0.9
71.01384	7.3
72.99313	0.4
73.02950	1.2
78.98599	5.2
79.95738	10.4
80.96523	64.8
81.03472	1.0
84.76145	0.4
85.02963	2.7
87.00877	2.6
90.67328	0.4
94.98093	14.5
95.01428	0.5
96.96015	0.8
97.02979	1.3
99.00863	0.5
101.02436	3.2
106.98075	2.9
121.02967	0.8
122.97601	5.7
125.02460	2.9
127.04055	0.5
127.71317	0.4
128.86433	0.4
134.97603	4.8
136.99170	0.9
143.03528	0.4
148.99147	5.5
152.98659	6.1
164.98643	10.5
182.99648	2.2
193.05069	0.5
206.99713	2.6
225.00755	15.9
226.00992	0.7
243.01888	0.9
277.21786	2.3
279.23331	1.4
279.87985	0.4
299.04407	2.6
299.42062	0.4
577.26904	100.0
578.27167	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	577.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.7
61.98837	5.5
63.96236	1.5
65.55826	0.5
68.02365	0.5
70.34348	1.1
70.34691	0.7
71.01385	8.3
72.63020	0.5
73.02932	1.2
78.95932	0.6
78.98597	6.1
79.95739	10.4
80.96522	74.4
81.03440	0.7
84.01717	0.5
85.02953	3.6
87.00891	2.6
94.98093	17.2
94.98693	1.0
96.96021	1.1
97.02967	1.7
99.00902	0.6
101.02467	2.8
104.44668	0.5
106.98083	3.5
113.02385	0.5
122.97598	3.3
125.02470	3.4
132.80870	0.6
134.97598	5.4
136.99171	1.4
148.99147	6.4
152.98625	7.1
164.98643	13.1
206.99707	2.3
209.11974	0.6
225.00739	15.2
277.21768	1.8
279.23322	4.4
293.41968	0.5
299.04398	3.8
320.06528	0.6
504.30872	2.1
573.67133	0.6
577.26898	100.0
578.27295	13.1
578.34564	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
69.02419	7.8
69.02856	9.7
79.95760	1.8
80.96517	5.7
94.98103	2.1
96.96008	1.9
105.83163	1.5
166.86792	1.5
220.90726	1.8
225.00739	2.3
243.34441	1.7
555.10638	1.7
579.28320	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	579.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15440	1.1
58.64807	1.2
59.01386	7.4
62.32782	1.4
66.03492	1.8
71.01374	6.3
73.02961	1.3
74.19046	1.2
84.04547	1.5
85.02944	2.6
89.02457	3.6
92.01421	2.6
93.03471	1.7
94.02972	7.1
98.21729	2.9
101.02449	2.9
109.01714	13.8
110.02502	7.0
113.02469	8.1
117.03470	12.6
119.03557	1.9
119.05034	22.4
121.02995	2.0
124.04060	11.3
128.03554	5.8
132.04640	1.2
132.05779	1.3
133.06622	2.3
134.06129	39.7
136.04056	6.0
145.02959	52.1
145.04115	2.7
146.03279	1.7
150.05586	3.3
158.03702	1.5
159.04515	6.3
159.05655	2.9
161.06119	5.0
163.04018	21.5
166.00873	1.4
177.06703	85.7
178.05070	2.1
178.07024	2.1
187.03999	26.7
191.05563	1.8
194.06851	1.7
205.05046	6.3
209.09341	3.0
217.05121	3.2
221.05685	8.1
235.06004	2.6
250.37195	1.2
253.08298	100.0
254.08592	4.4
260.98083	1.4
265.07013	3.1
307.08295	2.6
325.09335	9.6
327.08514	2.1
378.77402	1.5
450.90384	1.6
579.17773	2.5
592.22864	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	579.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27598	2.2
63.06712	2.7
70.92959	6.1
71.01389	7.2
74.07851	2.8
78.95914	6.3
78.98602	6.7
79.95743	15.1
80.96526	74.4
87.82021	2.7
94.98094	18.2
96.96021	26.2
101.02424	3.2
105.38940	2.5
106.98130	4.2
108.91544	2.6
119.30247	2.6
122.97601	4.8
134.97566	4.6
135.63052	3.2
148.99168	6.2
152.98643	4.1
164.98654	10.2
177.17036	3.2
206.99817	3.1
225.00758	18.2
255.12515	2.9
279.23337	4.9
340.36600	2.5
350.45139	3.1
481.25812	2.9
579.28485	100.0
580.28601	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	579.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40016	0.6
55.01878	4.4
57.03434	2.2
58.00580	2.5
59.01385	50.3
59.51964	0.6
59.86246	0.7
59.89801	0.7
61.98813	0.7
69.03443	1.4
70.13209	0.7
71.01388	51.6
72.99305	2.8
73.02950	9.1
75.00876	1.1
83.01393	5.3
85.02956	21.3
87.00877	2.4
89.02456	30.0
95.01400	4.2
97.02962	1.1
98.22604	1.4
99.00919	3.8
101.02452	33.1
111.00874	1.0
113.02461	22.8
119.03519	14.4
119.04905	0.9
121.02955	3.3
129.01909	2.3
131.03506	0.7
143.03517	3.1
149.22800	0.7
159.02997	2.0
161.04581	13.0
179.05658	4.0
196.71347	0.7
209.04553	2.2
209.74997	0.7
253.09511	1.1
275.94293	0.7
343.21249	1.5
417.24960	31.0
418.25229	1.9
579.30267	100.0
580.30548	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	580.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46185	0.6
59.01384	8.7
61.98817	1.2
63.87454	0.6
67.01886	1.4
69.11768	5.4
69.12172	0.9
71.01371	3.0
72.99289	0.7
73.02925	0.9
83.01392	0.9
85.02969	3.4
85.60388	0.7
89.02435	1.5
89.42203	0.7
91.34776	0.7
93.03493	1.0
94.02966	3.5
95.01404	0.9
101.02450	2.0
109.01701	56.5
110.01810	0.9
110.02499	15.1
111.00868	3.7
113.02466	3.2
116.92889	1.4
117.03489	4.8
119.05030	6.2
122.02498	2.4
123.03258	1.5
124.04051	81.4
125.04375	1.5
128.03546	1.9
129.01967	1.5
133.05328	1.2
133.06555	0.9
134.06126	3.7
136.04034	4.0
141.00676	1.5
143.03490	1.5
145.02960	15.0
150.05611	2.8
155.02242	2.7
159.04477	1.9
160.04031	1.2
161.06070	1.6
162.59935	0.7
163.04013	4.6
166.08730	1.9
171.16850	0.6
178.05119	7.0
187.03990	8.1
191.05617	1.1
192.06604	1.7
196.63690	0.8
205.05083	1.2
210.07718	11.5
222.04010	3.4
229.05063	0.7
235.06126	0.8
243.06783	0.9
254.06702	100.0
255.07054	4.8
265.07230	1.0
271.06104	1.5
284.02695	1.2
285.03928	1.3
286.04291	0.8
287.04614	0.9
288.05057	0.8
325.09174	1.4
328.09320	0.9
328.12909	1.3
339.12302	1.2
340.12701	1.5
399.45691	0.7
434.10754	1.2
524.95520	0.7
539.70709	0.7
580.16370	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	580.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	9.5
61.98853	1.5
62.56041	1.0
64.53622	0.9
67.01909	1.1
69.15905	5.5
69.16309	2.6
71.01382	6.9
71.85169	0.9
72.99315	1.1
73.02946	1.3
81.37888	1.3
82.02983	6.1
85.02960	4.7
86.30054	1.0
89.02463	3.7
91.12771	0.9
93.03455	2.1
94.02998	1.5
96.96056	1.4
98.22527	2.4
101.02454	3.7
108.04537	1.1
110.02492	43.6
111.00893	27.4
113.02461	11.2
117.03463	14.2
119.05038	28.5
121.03021	2.0
121.74514	1.1
124.04034	1.6
128.03555	100.0
129.03909	2.2
131.05052	1.6
132.05807	1.6
133.06639	4.0
134.06142	1.7
135.04559	1.6
136.04063	1.7
139.34927	0.9
142.05125	3.7
143.03400	1.0
145.02962	61.6
146.03331	2.6
150.05644	2.8
155.02243	2.0
158.03638	1.1
159.04556	5.4
161.06070	9.4
162.36623	1.1
163.04024	30.0
164.04408	1.1
173.06131	2.2
177.05589	3.7
178.05107	8.7
182.08249	2.0
187.04019	44.1
188.04233	2.7
191.05618	1.9
196.06122	1.5
200.32901	1.0
205.05089	12.7
217.05095	2.9
222.04164	4.1
224.14285	1.1
227.07150	2.1
229.04994	1.5
235.06163	4.6
240.05267	1.6
254.06702	14.0
265.07138	6.4
307.08282	3.8
325.09293	17.1
326.09760	1.3
332.07901	2.9
390.95209	1.0
416.11835	1.2
472.65671	1.0
497.84308	1.0
521.33337	1.3
580.16998	5.6
580.29980	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	580.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91616	3.0
55.54134	2.9
59.01376	11.0
61.96216	3.2
61.98838	69.1
67.49870	2.6
69.25834	26.4
71.01383	6.3
75.00877	5.8
83.01392	3.2
84.39763	2.4
85.02957	21.0
87.00862	4.0
93.03471	8.4
94.03811	3.6
95.05028	3.7
101.72371	3.3
105.03488	8.6
109.02972	6.7
111.00919	10.7
113.02457	22.9
123.04565	4.3
128.41562	3.1
129.01945	16.5
132.02200	3.1
133.02972	86.5
134.03804	25.4
135.04524	23.0
137.02452	15.4
139.04047	4.1
139.40851	3.5
148.05305	25.5
150.03291	3.3
160.01616	3.4
161.02490	16.1
161.04607	4.3
162.03194	5.9
173.04620	4.6
177.01950	35.8
177.23470	2.9
178.02768	27.4
179.03500	11.8
191.03680	7.3
191.05663	23.3
195.05042	3.9
201.91805	3.4
220.03825	7.0
271.64871	3.4
275.09290	18.8
279.08609	4.0
280.06088	3.4
317.10318	3.5
362.13388	3.2
408.10596	13.0
440.13290	100.0
441.13519	9.8
452.09799	3.8
483.14893	4.8
549.16376	5.8
563.21350	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	580.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16325	2.5
52.75140	2.2
54.26824	2.2
59.01369	8.6
61.98841	26.8
62.10001	2.3
62.97598	2.5
66.90720	2.2
67.18794	2.5
70.36124	3.1
70.36478	6.5
71.01367	5.6
81.03463	2.8
85.02969	5.4
87.00887	3.6
93.03467	9.9
105.03481	5.2
109.02974	3.4
110.08694	2.5
111.00855	2.7
133.02971	33.2
134.03740	8.6
135.04568	14.0
137.02435	12.3
145.03020	2.9
147.04601	2.8
148.05316	42.4
161.02470	16.6
162.03081	2.2
173.04605	4.7
175.07515	2.2
177.01924	10.0
178.02682	8.1
179.03490	6.6
191.03807	4.0
191.05637	20.6
194.02277	4.1
248.44780	2.3
249.34532	3.0
257.08194	2.9
279.08649	11.9
378.82401	2.5
440.13214	100.0
441.13730	6.7
452.09253	4.2
483.14676	5.0
497.58160	2.9
537.20166	3.2
563.21399	8.6
580.30945	3.3
581.22534	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	581.183
Annotation	Sophoraflavanone H
Peak:m/z	Relative Intensity
59.11370	3.1
63.29169	3.6
65.73591	3.1
69.01109	21.2
69.01534	15.4
78.95913	100.0
96.95963	4.3
96.96962	4.5
99.92616	13.8
108.17216	3.4
115.92082	29.7
116.92870	24.9
117.19421	4.0
121.66138	3.6
152.99603	18.8
171.00635	10.0
172.95493	7.5
178.88339	4.2
179.89236	40.6
180.90047	24.9
196.89479	63.5
197.89668	4.1
226.66850	3.7
235.91931	8.1
236.92615	28.3
252.92087	4.2
259.99902	4.0
310.96381	5.1
473.13983	6.1
489.14078	4.1
545.16333	4.6
581.18304	52.1
582.18750	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	581.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	3.7
58.59155	2.4
59.01382	15.7
61.98836	19.9
67.01922	3.5
69.03446	2.9
69.87242	10.5
71.01373	12.5
72.99292	3.3
74.29963	2.0
80.77307	2.4
81.03449	3.4
82.92279	2.2
83.01439	2.3
84.02168	3.3
85.02953	23.5
87.00876	6.1
89.02442	4.5
93.03474	21.5
95.01411	4.7
98.19473	2.2
98.21837	2.9
99.00862	4.5
99.04536	2.9
101.02443	4.7
105.03477	14.2
109.02969	5.3
111.00199	2.5
111.00853	11.7
111.04526	4.9
113.02496	11.4
115.92066	7.7
116.92885	3.6
117.03500	2.3
121.03021	5.5
123.04527	4.8
127.04005	4.0
128.01149	3.6
129.01981	19.6
132.02145	4.6
133.02974	100.0
134.03784	32.5
135.04559	22.7
137.02469	17.1
139.03989	7.6
145.02950	3.2
149.02412	2.7
149.04546	2.3
150.03221	5.0
155.03487	2.6
159.04535	3.4
160.01685	10.8
161.02440	24.7
161.04507	3.4
162.03088	2.9
163.04021	2.6
173.04628	11.9
173.05913	3.0
175.04025	3.7
176.01048	2.5
176.04881	2.5
177.01967	40.5
177.05573	3.5
178.02711	31.0
179.03534	21.9
187.07587	3.8
191.03706	5.4
191.05620	39.5
194.02136	2.8
195.03001	3.4
201.05510	2.6
202.02754	2.6
203.03525	7.3
215.07150	3.5
220.03825	13.2
231.10237	10.7
245.04544	2.4
250.04979	3.4
257.08200	6.0
275.09283	19.4
299.09094	4.4
307.08298	2.6
317.10248	5.1
340.08124	9.0
340.91348	2.3
341.08783	5.9
408.10620	55.0
409.10977	4.3
437.14502	6.6
438.11627	2.7
439.67853	2.4
441.13538	8.8
451.08469	4.9
452.09561	20.1
484.16083	3.1
505.17401	3.2
549.16107	35.5
550.16388	2.9
563.21271	12.7
581.22357	7.1
582.69855	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	581.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71796	0.8
55.01876	2.3
57.03458	2.0
59.01371	6.9
61.98829	5.0
62.20120	0.8
63.64806	0.8
67.01877	2.9
69.03452	1.3
69.05772	9.7
71.01374	9.7
72.99303	2.6
73.02947	2.4
81.03457	6.4
81.44872	0.8
83.01404	4.6
83.05061	1.7
85.02958	32.3
87.00895	4.2
89.02451	2.1
93.03459	7.9
93.47626	0.8
95.01380	1.6
95.05044	1.1
97.02961	3.1
97.06583	6.2
98.22539	2.0
99.00886	2.5
99.04523	8.4
101.02459	7.3
105.03484	3.6
108.02175	1.6
109.02963	3.2
111.00899	23.7
111.04524	3.1
111.56397	1.0
113.02468	15.7
119.03475	1.0
119.05015	1.2
119.47163	1.1
121.02977	1.8
123.04511	2.1
125.02501	1.0
127.04039	10.8
129.01958	25.5
133.02972	23.8
134.03752	100.0
135.04564	13.4
137.02480	4.5
139.04010	3.7
143.03410	1.3
145.02959	1.4
147.04536	1.8
148.05275	1.6
151.04018	2.2
153.01935	1.3
160.01672	1.2
161.02451	2.4
161.04527	2.1
162.02916	1.1
163.04010	2.5
171.02982	1.9
173.02351	1.1
173.04582	4.4
175.04021	3.4
176.04852	1.5
177.01947	13.3
178.02713	17.1
179.03470	3.0
180.03915	1.2
186.06763	1.0
187.07706	1.6
191.03525	6.0
191.05624	20.9
199.75987	0.9
200.04759	1.2
201.09166	1.5
203.10878	1.3
215.07144	1.5
217.08412	1.0
220.03795	15.9
229.08809	4.5
231.10182	6.7
250.04875	2.1
255.30833	1.0
256.00662	1.0
257.08185	4.4
273.06207	2.6
275.09225	13.2
276.52737	0.9
280.05911	4.1
289.10782	1.2
298.54758	0.9
307.11887	58.0
308.12207	2.8
317.10370	6.6
322.06763	1.5
347.11383	2.4
349.12885	1.4
389.15790	1.3
408.10574	4.4
414.10522	0.9
424.13998	1.2
435.24426	1.0
440.13184	1.6
441.13391	3.9
531.67731	1.0
549.16016	9.5
563.21216	5.6
581.22351	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	581.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	8.6
71.01375	3.8
71.30399	4.4
78.23111	3.0
80.64834	2.9
87.00895	14.2
89.02408	3.0
94.88707	3.1
102.91282	2.8
113.02447	7.6
118.73172	3.0
121.02930	3.2
128.03540	2.9
131.06067	3.0
134.03687	2.6
135.04462	3.5
138.70537	2.8
145.02980	7.0
147.04532	3.3
148.05276	5.1
159.04596	3.5
160.05307	4.3
161.02489	5.2
161.06084	7.2
162.03163	3.6
163.04024	4.1
165.05588	3.9
172.05336	30.2
173.05986	3.8
174.03229	4.5
175.07663	6.1
177.05524	4.4
178.06393	3.5
187.04082	3.4
187.07646	35.2
189.05742	3.9
190.06412	11.0
191.07217	6.2
193.05118	4.4
195.10269	4.8
205.08716	10.6
223.13446	3.8
271.06052	4.3
293.08551	3.2
299.12653	6.4
311.13016	6.2
329.13974	13.5
336.55173	2.9
341.13931	29.2
359.15054	100.0
359.19547	5.3
360.15411	5.9
400.93140	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	582.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28850	6.1
54.95342	6.3
61.98798	7.9
70.90068	5.7
71.29448	8.0
75.79121	6.6
86.06753	5.4
124.68997	7.2
253.09288	23.5
296.91180	7.1
303.23380	100.0
304.23703	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	583.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	18.2
61.98836	44.6
69.03456	6.2
69.07919	8.0
69.08315	57.5
71.01382	53.6
72.99329	12.5
82.95438	12.7
83.01404	6.7
85.02971	22.5
87.00865	9.1
89.02473	8.2
93.03472	11.3
94.36974	7.0
96.96001	7.0
98.44166	6.3
99.00890	10.1
100.76836	6.5
101.02466	25.5
105.03492	18.6
107.22276	6.4
111.00912	7.9
113.02464	79.2
119.05065	11.3
121.02977	16.2
123.04536	8.1
132.02208	11.5
133.02971	100.0
134.03781	41.0
135.04535	28.2
137.02460	30.5
139.00395	7.0
145.02940	19.7
148.05341	15.4
149.04654	6.5
150.03278	9.5
155.41614	6.0
160.01691	22.4
161.02464	50.1
163.04054	7.1
165.01904	6.6
174.03217	12.4
176.04723	9.6
177.01985	34.5
178.02766	52.5
179.03513	46.1
189.05623	7.7
191.05746	10.9
202.02779	26.9
203.03453	13.5
220.03757	14.6
225.05664	12.1
226.06282	32.0
245.06773	7.7
247.09766	20.2
257.08209	7.7
275.09290	17.2
280.05804	7.5
291.08594	12.1
299.09305	18.9
302.74820	7.2
323.13007	18.0
340.08002	51.9
393.11710	9.7
424.10239	20.7
437.14584	24.7
440.13220	38.2
453.14001	10.5
523.35388	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	583.204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.9
59.01378	18.8
59.44549	4.6
61.98832	35.7
64.89101	4.4
69.03447	7.0
71.01383	40.2
71.29243	3.6
72.99313	11.3
73.02951	5.0
77.68259	3.5
82.95418	5.4
83.01401	4.5
85.02956	16.5
87.00887	4.9
88.98824	6.0
89.02459	6.3
93.03477	7.0
95.01379	5.6
96.93565	3.4
99.00893	5.8
101.02456	16.3
105.03459	13.4
109.02943	6.5
110.36412	4.1
113.02464	70.9
119.05026	8.6
121.02981	8.4
123.04517	4.2
127.05141	4.9
132.02176	12.5
133.02975	100.0
134.03761	33.3
135.04553	36.9
136.01692	10.6
137.02463	32.1
139.04039	8.9
145.02979	12.2
147.04538	5.7
148.05330	11.0
149.02493	4.5
149.06023	5.0
149.65436	3.6
151.04051	5.1
158.03578	4.2
159.04482	5.7
160.01666	17.1
161.02469	47.9
161.04553	12.5
161.05988	8.9
163.04057	9.5
165.02037	7.1
169.73135	3.9
174.03319	6.9
175.04063	6.7
176.04773	6.1
177.01993	36.4
177.05501	7.8
178.02710	51.5
179.03529	37.3
180.44185	4.0
187.03902	4.1
191.03484	4.5
191.05699	7.4
195.02724	4.4
197.06073	6.5
202.02739	26.5
203.03484	16.6
220.03789	17.0
221.04410	7.1
225.05653	8.6
226.06340	16.2
226.11592	3.8
247.09764	23.3
250.04898	7.7
253.08656	4.4
275.09134	7.4
280.05927	7.8
281.06561	6.8
291.08829	20.8
299.09189	23.8
323.12952	9.1
340.08020	56.5
341.08734	10.1
351.07648	4.4
393.12036	7.8
424.10040	15.6
437.14566	18.2
440.13336	34.2
453.13974	14.3
499.23141	4.7
524.35040	4.8
565.15668	7.8
583.16156	6.7
583.30530	6.6
584.35132	6.0
597.77637	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	585.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76035	4.0
57.73526	4.0
59.01385	11.6
61.98838	100.0
69.03476	4.6
70.79106	4.1
71.01388	11.6
71.29308	4.0
71.29729	6.4
74.55166	3.8
75.77883	3.6
77.11811	3.8
77.89002	4.3
78.95927	6.9
81.03471	5.8
85.02946	20.8
87.00851	4.9
101.02467	17.7
105.03501	5.9
109.03014	5.3
109.59984	3.8
111.00940	6.6
112.79978	4.0
113.02476	11.1
115.92108	7.2
116.92892	13.6
117.13936	3.9
121.02962	34.2
123.04494	6.7
129.01955	43.4
133.03003	43.8
134.03778	23.5
135.04533	23.0
137.02454	11.9
139.04044	5.6
157.08817	5.6
160.01672	7.8
161.02505	30.3
162.03087	4.3
163.04077	6.0
175.04079	8.0
177.01950	13.1
178.02698	11.3
179.03508	23.9
191.05594	9.0
195.03032	6.4
203.03539	8.1
220.03941	5.2
275.09250	9.9
317.10223	4.7
341.08905	12.5
352.62872	5.7
408.10608	10.4
451.08511	6.9
452.09637	40.7
549.15936	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.3
64.21371	0.8
67.82249	1.0
69.74788	2.3
69.75195	1.6
81.03475	0.9
83.05037	2.5
87.00879	100.0
87.92546	2.3
88.01164	1.0
93.03461	9.8
98.22474	1.1
103.92023	2.8
104.92809	1.2
105.93571	1.1
111.04514	10.0
113.02442	1.0
137.02470	6.2
145.96700	1.1
150.85918	0.8
154.13626	0.8
155.03487	3.0
156.63803	0.7
161.96184	1.8
180.40399	0.8
199.94124	2.9
243.05078	37.8
244.05394	1.8
284.74701	0.9
574.57599	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85125	0.6
56.51698	0.6
57.56640	0.6
59.01377	2.4
71.01379	1.1
71.03555	1.6
81.03440	0.7
83.05051	0.8
85.02947	1.2
87.00883	100.0
88.01219	1.0
93.03472	4.0
101.02455	1.1
109.02950	1.0
111.00896	1.3
111.04526	10.0
113.02448	2.6
127.04065	0.8
129.01913	1.6
137.02422	1.2
155.03474	1.5
171.03094	0.8
179.05580	0.8
243.05107	14.0
243.09236	0.7
291.07245	1.3
467.27420	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.8
59.01371	26.3
71.01377	23.0
74.91566	3.3
78.67355	2.9
85.02953	31.8
89.02446	15.0
93.03465	34.6
95.01416	4.7
96.96008	12.4
101.02435	16.3
111.00886	6.9
113.02460	100.0
117.03439	4.3
119.03586	3.7
119.05036	20.8
121.02981	12.6
128.69461	3.6
128.83220	3.5
133.02986	4.3
135.04515	4.7
143.05017	13.1
145.02948	9.2
149.82655	3.0
156.05833	3.4
161.06116	4.3
163.04036	6.8
169.06618	13.4
171.04510	3.4
171.08113	3.4
173.06050	14.9
179.05621	5.1
180.05826	13.6
181.06552	16.5
184.05240	7.9
185.06039	4.1
186.83833	3.6
187.59265	3.6
197.06076	23.1
199.07661	67.4
199.73061	3.1
209.06102	4.3
211.07674	56.4
212.08162	5.0
213.09264	4.3
223.07639	14.2
225.05536	8.6
229.08626	3.8
239.07245	6.2
241.08641	4.9
243.06635	39.0
247.28964	3.5
265.08713	4.5
267.06586	19.2
285.07706	54.3
297.07645	4.9
315.08792	18.3
327.08871	11.3
331.80280	3.6
345.09772	33.0
407.98325	3.1
420.57361	3.9
506.48489	3.7
565.11224	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	585.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	48.6
71.01386	32.5
71.29742	3.3
72.99312	5.2
85.02965	4.8
87.00889	10.2
89.02451	31.8
95.01386	3.3
98.55377	2.3
101.02451	18.6
109.89644	2.2
113.02452	17.8
115.00292	2.5
117.05618	4.4
119.03512	18.2
143.03548	2.7
145.06184	9.3
161.04713	3.9
175.02516	6.4
179.05637	5.1
201.41956	2.5
215.73483	2.4
243.05051	4.2
279.10837	100.0
280.11218	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	586.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75929	0.7
59.01370	0.8
61.98835	100.0
98.21722	1.7
109.06610	0.9
179.10789	1.0
184.22847	0.8
197.11842	5.4
207.10300	1.3
225.11417	1.1
307.19363	1.1
359.41675	1.0
394.07977	1.1
523.25629	11.0
524.25769	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31728	3.7
55.55037	4.3
59.01381	10.2
61.98823	18.5
69.00986	11.0
69.01399	36.5
71.01382	8.4
87.11530	4.8
89.02464	10.2
101.02480	11.0
113.02438	9.3
115.07763	5.1
125.09763	7.2
151.00348	5.5
161.04553	5.8
164.25211	4.4
191.14395	7.7
209.11862	20.4
245.19104	15.5
253.09283	45.1
289.18112	100.0
301.53516	5.1
307.19177	94.2
308.19476	8.0
525.58624	4.5
591.24042	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	586.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69656	1.7
61.75365	1.6
61.98835	100.0
69.54009	1.6
70.76627	3.9
70.76978	1.6
89.88673	1.5
124.37196	1.6
125.32043	1.6
158.11882	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	587.1987
Annotation	Devenyoside C
Peak:m/z	Relative Intensity
51.87957	0.8
59.01392	5.9
59.71910	0.6
61.98832	1.0
62.18283	0.8
70.65599	1.1
70.65923	1.7
71.01391	5.3
81.03450	1.2
85.02966	3.4
89.02447	2.6
93.03457	2.3
95.01391	0.9
96.00938	0.9
96.96024	2.4
99.00891	1.6
99.04501	1.1
101.02438	4.0
111.00902	0.9
113.02455	5.3
117.03467	10.8
119.05034	79.4
120.05362	2.1
121.02955	2.1
122.13106	0.7
135.04556	1.0
135.88187	0.7
145.02960	37.5
146.03313	0.9
147.04526	2.4
150.03214	1.3
163.04018	94.0
164.04369	3.1
175.03918	1.1
179.05602	0.8
191.05649	0.7
201.09322	1.0
207.76204	0.7
208.80728	0.8
211.07648	2.9
212.08055	0.8
223.07629	1.4
237.08928	1.0
327.08887	1.1
405.51801	0.7
425.14560	100.0
426.14709	6.4
472.34335	0.8
537.67358	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	81.2
71.01381	85.0
71.29738	12.0
73.02972	14.6
83.01370	9.0
85.02955	25.7
87.00901	12.6
87.63368	9.3
89.02448	56.7
97.02908	8.9
99.00930	12.0
101.02456	47.3
112.59736	10.4
113.02470	53.4
115.04054	18.7
119.03513	22.3
138.22391	8.8
157.47006	9.3
161.04591	27.2
174.77466	8.1
179.05630	14.1
196.64508	8.8
211.60721	9.7
218.25096	9.6
233.10329	13.1
277.09323	100.0
287.17700	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	591.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.4
59.01390	14.4
61.98818	2.9
71.01385	15.6
71.30045	2.1
73.02937	3.5
74.57781	1.2
83.01384	2.0
85.02975	7.2
89.02445	7.6
92.05074	15.3
93.03455	3.8
95.01374	3.0
96.04539	5.9
99.00896	1.3
101.02450	6.8
113.02452	12.6
116.04274	1.6
116.05072	25.9
117.03475	29.7
119.03606	2.4
119.05038	63.1
120.05320	1.5
121.02898	1.3
131.05052	2.5
133.02948	2.4
133.06615	9.8
135.04529	1.4
137.02502	1.7
138.05696	1.6
142.06639	7.3
145.02968	100.0
146.03296	3.0
147.04532	2.3
149.06058	2.4
149.50507	1.1
159.04529	5.7
161.06111	19.6
163.04028	55.0
164.04402	1.9
177.05606	10.6
179.03516	1.5
179.05711	1.4
179.07280	2.4
187.04027	18.3
191.05629	1.6
194.09810	3.5
197.10849	3.0
205.05086	18.3
205.07664	6.6
206.08366	1.6
213.13950	4.5
217.05008	1.8
219.09288	7.4
221.10852	40.8
222.11282	2.0
235.06081	3.6
239.11905	27.5
240.12282	2.3
265.07376	2.0
265.09857	4.5
297.55087	1.7
316.10376	4.7
325.09125	5.8
385.14236	1.8
401.17108	2.2
410.20959	10.7
427.15216	7.3
428.21979	7.7
445.16177	72.3
446.16516	6.3
462.14014	3.2
591.19849	76.6
591.27856	5.1
592.20050	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	591.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.0
59.01389	6.3
60.90498	0.8
61.98840	1.9
71.01369	3.4
73.66823	0.9
82.30441	0.8
85.02957	1.9
87.00900	1.2
90.33917	0.8
97.02967	1.0
98.22521	2.4
101.02441	1.4
108.04520	1.1
110.06110	8.8
113.02451	1.8
120.08237	1.1
133.02979	5.5
134.03737	1.1
134.06097	2.1
135.04553	1.5
136.07692	15.0
137.02457	2.4
138.09262	85.1
139.04021	1.3
139.09605	2.2
145.02974	1.4
148.05365	1.2
161.02469	2.4
161.04617	1.1
161.05937	1.5
161.07222	20.4
162.05617	4.5
168.10295	5.7
171.10193	0.9
173.07213	15.5
175.08768	1.2
177.02109	1.1
178.02739	1.7
179.03537	1.3
186.07982	1.2
187.08792	3.9
189.10332	10.7
191.05644	1.1
199.08815	2.6
201.10416	2.1
213.06749	9.0
213.10387	1.1
214.07291	1.4
215.08275	100.0
215.11821	9.1
216.08626	3.6
233.09314	15.0
235.27475	1.0
239.08423	1.0
239.11960	2.6
241.09845	93.8
242.02243	1.8
242.10190	4.8
259.10904	12.1
270.01782	1.8
298.01205	1.0
326.18665	1.2
327.21765	2.7
380.19791	41.4
381.19919	3.7
387.23904	3.9
398.15601	1.9
398.20856	39.2
399.21133	3.4
410.20892	17.5
411.20883	2.1
428.11493	1.0
428.21906	26.9
429.22214	2.6
440.13388	6.0
458.14423	1.4
495.13675	1.0
531.86609	0.9
537.19507	2.1
561.27161	34.3
562.27771	4.5
591.17407	4.2
591.28162	25.4
592.28809	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	593.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23895	0.7
58.32467	0.5
59.01381	1.5
60.33213	0.5
61.98826	1.0
62.93765	0.6
63.02391	1.0
65.00319	0.9
69.12173	1.3
69.12565	5.5
85.02966	1.2
91.01907	0.7
93.03464	2.4
96.95982	1.1
107.01405	3.3
109.02999	0.7
113.02454	2.3
117.03487	4.1
119.05015	2.8
132.02144	0.9
133.02957	1.4
135.00911	1.9
143.05026	0.7
145.02953	13.2
146.03380	0.6
151.00378	4.7
153.01970	0.7
159.04486	1.1
161.02383	0.7
163.00375	2.8
163.04030	2.2
167.05025	0.8
169.01422	1.2
169.06538	1.1
173.02429	0.8
175.66965	0.7
183.04530	1.7
185.06035	2.4
187.04059	3.0
195.04532	1.2
196.94769	0.6
197.06024	1.3
199.04004	1.6
200.90234	0.7
201.05598	0.9
211.03983	3.6
212.04585	1.1
213.05614	1.8
227.03523	40.7
228.03999	2.4
229.05074	10.3
230.05376	0.8
239.03552	1.4
241.05103	1.7
255.02997	72.9
256.03622	10.0
257.04532	9.9
264.09012	0.7
284.03278	78.4
285.04037	100.0
286.04355	6.3
289.28677	0.7
307.08224	5.7
325.03528	0.6
327.04861	0.6
356.60214	0.6
447.09430	3.9
447.54190	0.8
579.38843	0.7
584.31372	0.6
593.13086	69.7
594.13354	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.3
59.20898	0.2
61.98830	0.5
69.86278	0.5
69.86674	0.4
77.03965	0.3
80.96524	0.4
85.66325	0.2
86.09158	0.2
87.52052	0.2
91.01899	0.3
93.03469	0.4
98.21801	0.2
121.02966	100.0
122.03308	2.9
136.01654	0.3
165.01941	4.4
165.28210	0.2
180.05818	0.4
181.05125	0.2
181.06598	2.2
197.06113	1.7
207.04520	0.8
207.08080	0.3
209.04558	55.7
210.04898	1.8
218.69095	0.2
223.04073	0.3
225.05602	1.7
227.03534	0.3
234.48630	0.2
251.07309	0.3
255.03058	0.5
257.09692	0.5
284.03003	0.3
285.04114	0.7
285.09198	0.3
313.07248	1.7
357.06152	0.8
383.07712	1.3
386.92920	0.2
401.08859	0.5
417.09952	1.3
443.08441	0.2
465.51688	0.2
487.10486	0.2
505.11469	3.0
506.11520	0.2
549.10480	5.8
550.10486	0.6
593.13086	7.9
593.26318	0.4
594.13507	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
61.09277	0.5
63.02380	1.5
65.00317	1.0
69.45913	2.8
77.61235	0.4
83.01395	1.1
85.02940	0.6
91.01938	0.8
93.03493	2.3
107.01405	4.3
109.02988	0.7
113.02435	0.5
117.03471	4.8
119.05058	3.3
132.02203	1.1
134.12257	0.6
135.00871	1.6
138.42702	0.5
143.05019	0.8
144.75536	0.5
145.02974	15.5
151.00385	5.7
157.06580	1.1
159.04482	1.8
163.00378	1.7
163.03998	2.5
164.01132	1.3
165.01993	0.7
167.05055	0.8
169.01430	0.6
169.06595	0.6
171.04512	0.5
173.02449	0.6
183.04550	1.8
185.02373	0.6
185.06096	2.0
187.04001	3.2
189.05598	1.0
195.04543	0.8
197.06091	1.1
199.04041	1.6
200.04784	0.7
211.04019	3.7
212.04634	0.7
213.05595	2.2
215.03528	0.7
227.03520	45.4
228.03885	2.6
229.05061	10.3
239.03481	2.5
240.04221	0.9
241.05072	1.6
243.02943	0.7
255.03000	74.1
256.03656	9.4
257.04544	7.5
258.05045	0.7
267.02982	0.8
283.02505	0.8
284.03284	78.6
285.04053	100.0
286.04410	5.9
307.08362	5.2
308.08627	0.6
309.11627	0.5
327.04935	0.5
447.09140	3.7
512.97980	0.5
593.13049	78.5
594.13391	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	593.1512
Annotation	Datiscin
Peak:m/z	Relative Intensity
55.04042	4.6
56.83973	4.9
59.01390	35.2
61.98831	14.0
71.01378	22.4
71.30169	6.5
77.03999	5.0
78.95900	19.2
79.98351	4.7
85.02940	9.5
89.02458	13.9
93.03467	96.8
101.02438	7.7
113.02459	26.1
125.02463	9.9
125.09755	5.6
133.02943	22.2
134.03708	7.8
135.04515	14.5
145.02817	7.5
147.04500	4.5
149.04454	7.8
161.02437	9.3
169.06680	11.8
175.03876	6.9
179.03444	6.1
187.03970	7.7
189.05713	6.5
191.05685	11.3
213.05592	78.8
214.05991	6.5
227.03545	33.5
229.05035	12.4
230.05675	6.4
255.03027	66.7
256.03409	6.1
284.03296	80.9
285.04056	98.4
286.04449	7.4
297.07397	8.8
436.10126	10.7
440.13156	9.9
593.15118	100.0
593.24609	9.1
593.28687	6.1
594.15363	14.2
594.30737	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	593.1512
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.58051	0.6
57.07827	0.5
63.02390	0.9
65.00314	1.2
71.05971	0.6
87.27493	0.6
93.03441	1.9
107.01385	2.7
109.02951	1.3
116.36541	0.5
132.02162	0.9
135.00861	2.4
143.05020	1.3
145.02965	0.6
145.06602	0.7
151.00352	2.6
157.06682	0.7
159.04475	1.5
163.00368	2.5
167.05008	0.8
171.04431	1.0
183.04424	0.6
185.06126	3.2
187.03984	3.2
189.05579	0.9
195.04449	1.3
197.06094	1.6
199.04025	1.3
201.05629	0.9
211.03940	2.9
213.05569	2.3
215.03461	0.9
227.03499	40.7
228.03860	2.7
229.05046	14.4
239.03535	1.9
241.05054	2.2
255.02977	70.5
256.03598	7.2
257.04526	8.7
258.04990	0.7
267.02890	1.1
284.03265	65.1
285.04034	100.0
286.04449	5.5
327.05161	1.5
416.62668	0.6
593.15125	96.5
594.15332	10.9
594.24213	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71309	0.4
57.39720	0.5
66.76372	0.5
69.59750	0.8
69.60164	1.9
71.01382	1.0
79.01947	0.6
93.03466	1.9
94.89574	0.5
95.01371	0.9
97.82839	0.5
101.02475	0.5
117.03481	5.5
119.05013	0.8
135.04532	3.5
143.05013	0.6
147.04488	0.6
149.02461	1.4
159.04460	0.5
161.02449	2.2
161.06023	0.6
163.04053	1.7
173.06017	0.6
175.04039	1.6
177.01949	1.0
177.05620	1.8
179.03525	0.7
187.04071	0.6
189.01961	1.0
191.03481	1.5
203.03540	1.6
205.05066	0.7
209.06058	0.5
217.05003	0.8
221.04358	0.5
233.04605	0.9
237.09235	0.5
238.06416	0.7
267.06570	0.8
268.07452	1.4
279.06717	0.6
281.04602	0.6
282.05334	2.4
283.06134	3.7
295.06067	5.2
296.06842	4.8
297.04294	1.1
297.07706	21.8
298.08109	0.7
307.06039	2.7
309.07782	1.8
311.05737	2.7
323.05661	3.4
324.06543	1.3
325.07138	11.6
325.72021	0.5
326.07510	1.1
328.05948	2.9
335.05612	1.9
337.07199	3.9
341.06631	0.7
349.07339	0.5
351.05209	1.0
353.06680	47.1
354.07028	3.7
355.08264	1.7
356.05225	0.8
365.06674	5.1
366.06866	0.7
367.08334	0.8
383.07751	27.2
384.08157	1.7
395.07687	3.3
397.09512	1.2
413.09073	2.6
425.08963	1.0
455.09894	0.6
464.62177	0.5
473.10934	18.7
474.11285	1.6
486.82352	0.5
488.19260	0.5
503.11957	4.6
575.14404	1.3
593.15167	100.0
594.15460	10.6
594.24377	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	593.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01354	0.7
66.06315	0.5
68.84285	0.5
69.21254	4.8
71.16201	0.6
93.03486	1.4
117.03466	1.2
127.59027	0.6
140.03535	0.6
151.00391	1.6
164.07153	0.8
169.06581	0.8
183.04456	2.0
185.06085	0.8
187.03949	0.7
211.03970	2.2
223.03596	0.6
227.03552	2.7
229.05078	0.7
255.03009	27.7
256.03433	2.0
269.04413	0.7
281.04343	0.6
283.02512	54.6
283.34473	0.6
284.03040	5.6
285.04062	100.0
286.04489	4.8
297.07632	1.5
298.04532	0.7
299.05896	0.7
307.06024	0.9
321.33752	0.6
327.05167	3.4
353.06644	3.1
383.07755	1.8
431.09833	8.0
446.08630	10.3
447.09326	17.7
448.09766	1.0
473.10419	1.4
474.83621	0.6
593.15125	26.4
594.15283	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.264
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.6
61.98828	7.4
71.01377	5.4
73.02956	1.3
78.98601	4.1
79.09292	1.0
79.95299	2.0
79.95745	28.8
80.96519	51.1
85.02970	3.3
87.00900	1.6
93.50681	1.1
94.98095	11.9
96.96014	1.7
97.02965	2.4
97.34633	1.1
101.02436	2.4
106.98098	2.7
107.89873	1.1
122.97600	4.6
125.02457	2.3
134.97565	4.4
136.99115	2.2
148.99147	4.7
152.98639	5.5
164.98615	9.3
206.99640	3.1
223.13261	1.3
225.00732	17.2
227.03517	3.7
243.01863	2.2
255.02904	4.0
284.03287	5.4
285.04114	8.0
299.04431	2.4
371.06360	1.9
399.09814	1.3
413.11447	1.5
455.15735	2.7
460.30051	1.2
481.17416	1.3
489.33813	1.8
495.19302	1.6
593.15472	7.2
593.26331	100.0
594.16290	2.5
594.26526	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	593.2641
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
59.01382	1.7
59.72961	0.8
61.98841	10.5
64.86777	0.7
69.03442	0.8
71.01390	6.6
71.02055	0.9
71.02396	1.0
73.02940	1.4
78.98615	4.2
79.95745	31.7
80.96524	53.6
82.96110	0.9
85.02964	2.6
87.00870	1.7
94.98096	13.7
96.96010	1.1
97.02965	1.0
101.02464	1.6
102.31979	0.8
106.98109	3.0
109.06613	0.9
120.30680	0.8
122.97591	3.6
125.02456	2.2
131.30714	0.7
133.03012	0.7
134.97592	4.2
136.99158	1.1
148.99141	4.7
149.99556	0.8
152.98680	5.0
161.04599	2.0
164.98656	10.3
186.37315	0.7
206.99701	2.0
223.13454	2.2
225.00760	15.2
227.03479	1.1
238.00426	0.8
238.03008	0.8
241.00279	2.9
255.03162	2.1
284.03342	2.7
285.04126	3.6
299.04181	3.5
315.03918	1.3
341.05154	0.7
371.06430	2.7
399.09805	2.7
413.11258	1.1
441.14584	0.9
455.15851	3.3
495.19168	2.7
523.18762	1.1
593.26398	100.0
594.26733	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	593.274
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95911	68.7
96.96980	15.0
112.77037	2.3
122.06109	2.6
152.98361	5.6
152.99602	100.0
171.00629	2.9
223.00200	8.5
227.03508	3.4
241.01212	26.5
277.21725	42.5
284.03326	3.7
285.04044	6.3
315.04834	13.7
551.33466	3.0
591.60559	3.1
593.17163	4.5
593.27338	72.1
594.27368	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	593.355
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57221	4.3
59.01387	100.0
61.98835	25.8
71.01395	21.6
71.30380	6.3
73.02940	6.5
78.95901	4.9
85.02949	16.9
87.65983	4.1
89.02473	4.5
91.59399	4.4
93.03444	4.3
99.00858	5.9
101.02447	12.5
113.02470	19.9
120.27981	4.5
133.02960	6.1
133.33084	4.0
134.03743	3.8
135.04547	5.1
135.15585	4.5
145.03003	5.1
146.08218	4.4
147.04419	4.8
163.04073	3.4
165.32278	3.4
191.05690	5.8
227.03481	26.5
229.05072	8.0
239.11916	4.9
255.03021	38.4
277.12332	10.7
284.03299	41.7
285.04068	68.4
345.30112	8.7
357.28247	4.0
432.21411	4.0
489.34418	37.8
490.34406	7.2
507.35199	16.3
593.15222	48.2
594.15479	10.8
594.30432	4.4
605.05066	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	593.37
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64042	2.7
69.03456	5.0
77.06546	3.0
78.95906	4.1
85.74223	2.9
91.65031	2.9
101.21470	2.8
106.27319	3.6
106.41953	3.0
151.11284	4.8
156.13101	3.4
161.09743	9.5
179.10799	27.8
179.12247	4.3
195.13873	10.2
197.11841	73.0
208.79956	3.1
229.35748	4.6
241.10896	9.4
277.21768	6.6
295.22797	40.7
297.13379	5.9
315.14471	17.2
547.39044	3.7
593.37054	100.0
594.37103	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	595.1674
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
52.26905	1.6
55.01873	1.4
59.01374	5.7
61.98805	1.7
64.17580	1.5
67.01878	1.5
69.65425	8.8
71.01376	6.4
79.01917	1.9
81.03452	3.6
83.01382	4.0
85.02959	2.3
89.02445	3.8
93.03480	8.3
95.01400	2.5
97.02945	4.2
98.21807	1.9
99.00909	1.5
101.02421	2.9
107.01390	7.4
109.02975	3.4
109.35325	1.5
111.00906	2.9
111.04542	3.7
113.02440	3.2
117.03493	2.9
119.05031	44.5
121.02955	5.3
123.04556	7.3
125.02474	13.2
133.02917	2.4
134.04747	1.9
135.04514	4.9
135.08159	6.9
137.02461	6.5
139.04031	7.9
140.70226	1.4
143.05003	7.2
145.02939	11.5
147.04544	3.7
149.02406	6.6
149.06091	1.7
150.03178	2.4
151.00348	5.0
151.04008	2.3
153.09222	2.0
161.02458	3.2
161.06055	3.8
163.00308	2.7
163.04015	6.0
165.01921	6.0
165.05511	1.5
167.03505	9.4
170.32541	1.6
175.04030	1.8
177.01952	6.5
178.02754	2.1
179.03503	5.6
179.05728	1.9
179.07089	10.6
185.06136	2.2
187.04059	7.9
191.03505	5.2
191.84680	1.8
193.01424	12.0
197.04539	4.5
197.08170	5.9
199.07585	2.7
203.03558	2.2
205.01459	7.5
207.02919	5.0
209.04529	4.9
219.02974	4.2
223.02283	3.0
227.07205	4.6
235.02441	16.3
239.05521	3.4
249.04068	2.9
251.05437	2.2
261.03903	2.5
261.35587	1.6
265.03445	7.3
267.06650	2.1
271.06155	4.5
283.06198	3.1
283.09625	2.0
287.35648	1.6
313.07184	22.7
325.07147	10.0
339.08438	2.0
340.47937	1.9
343.08173	7.3
355.08246	100.0
356.08511	7.8
367.08243	4.4
385.09302	80.1
386.09525	5.3
397.09213	5.5
415.10199	22.9
415.14749	2.5
416.10620	2.4
427.10184	3.3
457.11426	9.5
458.11575	2.6
475.12473	39.1
476.12796	3.5
487.12885	7.6
487.18823	1.6
505.13647	10.2
506.13828	1.7
577.15607	6.0
595.16528	98.2
596.16705	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	595.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14198	0.3
54.86086	0.3
59.01386	1.8
61.98840	0.5
69.14220	2.8
71.01367	0.9
73.02931	0.4
85.02945	0.4
89.02453	0.8
91.01907	0.6
93.03473	0.8
96.96010	0.7
98.22505	0.6
101.02459	0.3
107.03783	1.9
108.04100	0.3
113.02425	0.7
117.03539	0.4
119.05038	0.4
120.02191	1.3
121.02967	100.0
122.03300	2.9
135.04527	0.7
136.01692	0.7
161.02443	0.6
161.69138	0.3
163.04027	0.4
165.05582	0.3
166.69809	0.3
181.04962	0.3
191.05641	0.9
208.09814	1.0
209.04570	85.2
210.04898	3.9
221.50961	0.3
255.02974	1.0
256.03311	0.7
257.03592	0.5
283.02518	2.4
284.02890	1.8
285.04019	4.1
286.04428	3.6
287.04620	3.0
355.07248	0.4
390.06918	0.4
433.10522	0.5
447.08884	0.6
448.09329	1.1
449.09937	1.1
595.15625	3.1
596.15808	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41809	2.1
55.81209	1.7
59.01379	18.3
59.22327	2.0
59.70714	2.4
62.28725	2.1
63.65004	2.1
64.00744	2.1
66.03481	9.5
71.01382	11.0
71.27952	2.8
80.05067	3.1
83.01360	2.3
85.02958	6.8
89.02424	4.6
101.02455	5.1
106.06702	3.7
110.02473	3.5
113.02462	3.9
121.02991	6.4
155.06131	11.6
156.06931	4.2
157.07722	100.0
158.08124	5.1
159.09305	7.9
171.09222	2.8
177.06717	9.1
183.09402	3.4
199.12408	13.4
225.10361	7.4
242.13078	15.5
244.14574	2.7
253.08293	13.9
271.14017	2.4
311.14001	3.1
328.16690	13.6
372.15662	95.9
373.15945	7.1
416.14801	10.1
552.22235	9.5
596.21063	58.7
597.21136	7.9
611.73938	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	596.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91017	1.6
61.98835	100.0
69.86231	4.7
69.86632	2.9
78.95911	2.1
92.72296	1.8
98.52174	2.0
105.36860	1.6
124.11048	1.9
179.22011	1.9
425.56717	1.9
602.37726	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	597.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	1.9
59.94976	0.4
60.77576	0.3
61.98833	13.7
69.81720	1.5
69.82130	0.9
71.01378	0.7
77.03477	0.4
81.03461	11.7
82.11772	0.4
83.05033	35.2
84.05354	0.9
85.02950	1.3
89.02470	0.5
96.95998	1.1
98.22470	0.5
99.43288	0.4
100.07697	4.6
100.60919	0.4
101.02445	0.8
111.09256	0.4
113.02455	1.6
116.05077	0.4
116.92876	1.9
126.05611	0.9
127.04018	0.6
129.70116	0.4
133.02948	1.7
134.03853	0.5
161.02490	0.7
173.04648	0.4
177.02029	0.8
179.05745	0.4
182.15582	0.6
182.90970	0.4
199.18190	6.7
207.15010	0.7
215.07304	0.4
224.17665	0.7
225.16078	8.6
243.17148	18.7
244.17429	1.1
269.15112	1.8
285.03915	0.5
309.21906	1.6
338.70535	0.4
353.20825	6.9
439.68024	0.4
440.13364	1.7
451.32742	2.3
469.33981	14.6
469.40466	0.8
470.34372	1.2
513.82233	0.5
579.37695	2.6
597.38733	100.0
598.39044	14.0
598.48602	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68317	0.6
61.98835	100.0
62.93556	0.7
81.76604	0.6
132.92596	0.6
144.47035	0.6
206.20903	0.6
229.22647	0.6
250.89557	0.6
275.13940	0.7
396.35254	0.6
544.78552	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69992	0.1
57.17150	0.2
59.01378	2.1
61.98835	100.0
65.67416	0.1
71.01382	1.0
72.99293	0.2
73.02934	0.2
85.02964	1.2
89.02464	0.2
93.03517	0.2
96.96059	0.2
97.14542	0.2
101.02473	0.3
113.02486	0.7
119.05090	0.2
126.50604	0.2
129.01945	0.9
133.02960	1.4
134.03822	0.3
135.04547	0.2
137.02493	0.2
161.02528	0.5
161.04695	0.2
163.04005	0.2
177.02026	0.6
178.02789	0.3
179.03526	0.3
191.03824	0.2
191.05603	0.3
220.03726	0.3
250.04858	0.2
275.09323	0.4
317.10352	0.2
375.27170	0.3
376.27966	0.6
424.13828	1.0
440.13318	0.4
441.13803	0.4
555.28394	0.3
598.35217	0.2
599.28973	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
71.30443	1.1
172.63351	0.7
230.82149	0.6
474.56134	0.7
518.47052	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	9.0
61.98819	2.5
62.13900	1.4
70.15783	2.3
70.16135	5.0
71.01369	5.2
73.02940	4.5
80.05138	1.4
85.02974	3.0
89.02431	3.0
93.03460	14.1
94.51208	1.4
99.91125	1.4
101.02436	3.6
111.04534	3.1
112.15029	2.1
113.02459	3.6
117.03489	7.7
119.03679	2.7
119.05040	65.7
121.02979	3.1
123.04568	2.3
137.02509	1.9
143.03484	1.9
145.02965	37.9
163.04028	100.0
164.04373	3.6
173.04544	4.1
179.05681	2.1
213.09251	2.2
231.10159	1.6
293.10126	2.5
319.08163	2.3
337.09369	5.5
425.14587	39.0
425.20035	3.4
536.26141	1.9
599.19873	96.9
600.20258	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	599.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57548	2.0
56.48517	2.1
59.01384	17.9
65.52356	1.8
70.15969	2.8
70.16337	3.6
71.01395	13.0
85.02972	4.3
85.06609	6.4
87.00905	2.6
89.02444	13.1
93.57970	1.8
98.21879	1.9
101.02459	10.1
113.02455	7.2
113.06056	3.9
114.77237	2.0
119.03538	5.0
119.05030	6.4
121.02952	2.9
122.09067	2.0
131.07156	32.6
135.04527	2.2
135.25081	1.7
138.40395	1.9
142.15477	1.9
145.02992	2.6
163.04013	5.4
191.05611	2.5
193.94164	1.8
214.08629	2.7
265.14020	1.8
293.12454	100.0
294.12817	3.9
305.12451	3.9
373.59360	2.1
416.44049	2.1
600.19104	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	600.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00573	0.9
59.01386	25.3
62.62534	0.6
69.14900	6.3
71.01031	1.0
71.01391	14.6
72.99317	1.1
73.02954	1.6
75.00865	0.8
80.05059	1.9
82.46340	0.8
83.01381	1.2
85.02951	3.3
87.00858	0.8
89.02451	12.7
92.05067	18.0
93.03483	1.3
93.05415	1.0
95.01396	1.2
96.04553	5.8
101.02449	10.7
104.06324	0.7
108.02185	12.7
109.02966	8.2
113.02452	5.2
119.03506	5.0
119.05008	1.6
121.02959	7.6
122.03745	2.0
131.07152	1.8
134.03757	2.6
135.04536	16.3
138.05608	1.5
163.03990	1.6
176.33360	0.7
179.03458	3.5
179.05589	1.5
187.07632	1.8
196.07817	0.9
198.05615	2.4
199.06363	2.0
205.05060	1.1
212.07201	2.0
213.07860	1.8
214.08749	71.4
215.07173	1.1
215.08998	4.3
216.10294	3.2
232.09789	12.7
258.07776	7.9
293.12411	3.9
294.12866	2.7
316.10455	2.1
376.13956	10.8
377.14325	1.0
394.10220	1.5
394.15085	21.0
395.15436	1.6
402.13000	0.7
420.12964	1.5
438.14093	23.0
439.13342	1.7
446.08801	1.4
600.19354	100.0
601.19800	11.9
602.33789	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49734	1.5
54.27296	1.5
57.34381	1.6
59.01384	27.7
69.24162	5.1
69.24580	9.6
71.01398	16.1
73.02975	1.5
83.89429	1.7
85.02959	3.2
89.02446	13.5
89.04953	2.1
93.03475	3.4
95.01378	1.8
101.02454	12.7
113.02436	10.2
117.03451	7.3
119.03571	3.0
119.05037	37.3
121.02966	4.2
131.05045	6.0
132.05843	8.0
133.06581	5.5
145.02971	20.5
156.05832	3.3
157.06659	2.1
159.04483	2.7
161.06061	12.6
163.04031	41.2
169.06635	2.6
171.08145	20.3
173.06085	1.8
177.05533	3.4
178.14690	1.4
179.05589	2.4
185.06003	3.4
187.03993	6.3
205.05113	21.8
211.07512	2.4
215.07132	17.1
217.05009	1.9
235.06107	14.4
241.04875	2.0
257.08118	2.6
259.06024	2.1
265.07156	14.3
277.07379	2.2
301.07108	3.0
325.09451	3.8
331.08493	2.3
361.09235	2.1
439.12479	100.0
440.12854	8.2
481.13495	4.6
525.95544	2.0
577.97522	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	601.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	28.5
70.14584	25.7
71.01384	29.9
72.02258	6.8
72.24847	6.3
85.02947	29.3
89.02441	15.5
99.04502	8.7
101.02446	10.9
111.00903	15.9
113.02466	79.8
119.03542	9.6
119.05043	100.0
119.19573	7.8
129.01955	20.2
130.31407	8.0
163.04022	92.5
173.62991	7.2
179.05682	14.4
218.25359	7.9
234.88106	7.9
267.34622	7.6
275.29352	6.9
291.07285	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	601.199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11227	6.7
59.01373	31.7
59.57885	6.6
63.21553	7.2
69.03454	9.3
70.16677	25.2
71.01375	29.8
77.72547	6.8
81.47607	7.4
85.02966	30.9
88.46931	6.6
89.02444	22.0
101.02409	8.9
111.00864	16.8
113.02451	77.2
118.96647	8.6
119.05014	100.0
126.15235	7.6
127.04022	17.7
129.01929	31.1
137.71840	7.2
143.03503	8.7
145.06096	7.9
163.04036	82.3
173.85201	7.3
176.30901	8.1
179.05624	12.8
213.40726	7.2
291.07300	28.8
598.55176	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	601.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
66.09767	0.4
67.66302	0.4
69.01456	5.7
81.74236	0.5
98.21783	0.9
111.31379	0.4
143.94676	0.6
529.34589	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73506	1.1
57.82959	1.3
59.01372	5.7
61.98832	8.6
66.11598	1.5
71.01397	5.3
71.29779	2.4
85.02994	1.7
87.00890	3.7
96.04513	3.0
101.02477	3.2
104.59734	1.2
105.03468	7.5
109.02962	1.6
113.02431	3.6
118.32288	1.2
119.35540	1.4
121.02914	1.4
132.02200	7.4
133.02969	46.5
134.03770	9.2
135.04532	24.3
137.02480	9.3
139.04059	3.2
149.02402	1.6
149.36429	1.5
150.03336	2.0
154.30022	1.4
160.01698	12.6
161.02461	47.3
161.04559	1.9
161.06100	1.7
162.03151	2.4
166.11821	1.5
175.04030	4.6
177.01981	7.4
177.05566	1.8
178.02739	11.0
179.03517	24.8
180.03717	1.4
182.08272	3.3
189.05597	2.0
192.04343	3.3
194.02238	3.8
199.07724	1.9
203.03497	10.2
204.04248	1.9
215.07184	3.0
221.04454	1.8
257.08276	4.2
269.54645	1.4
326.12451	1.5
339.07251	2.0
344.13498	2.4
400.46112	1.3
432.13107	4.4
433.13721	4.9
441.69901	1.6
460.16446	3.7
504.15054	5.0
505.15952	100.0
506.16241	11.2
602.22577	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	602.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61266	2.1
59.01372	8.7
59.15454	2.1
61.98829	27.9
70.92441	2.5
71.01373	9.5
71.25387	2.6
72.99306	2.2
84.74596	2.3
85.02978	3.2
87.00903	4.4
93.03477	2.7
95.05058	3.1
96.04562	5.6
101.02435	4.6
102.91421	2.6
105.03485	8.5
109.06557	3.2
113.02473	8.4
121.02950	4.1
123.04612	3.0
132.02173	10.1
133.02971	57.9
133.03908	4.5
134.03784	12.6
135.04535	23.6
137.02461	12.6
139.04036	5.5
147.04465	2.9
149.02472	2.4
150.03281	3.6
157.08841	2.6
160.01639	16.5
161.02452	48.2
162.02931	2.5
175.03958	5.8
177.01945	13.7
178.02751	15.4
179.03537	27.3
182.08296	3.2
187.07697	4.0
192.04349	3.7
194.02197	3.6
203.03540	11.3
215.07170	7.6
257.08258	14.4
261.70502	2.5
313.94119	2.6
326.12421	6.3
344.13550	8.8
422.45590	2.5
432.13010	6.4
460.16110	3.0
504.15118	15.4
505.15909	100.0
506.16522	9.9
508.90244	2.6
602.22400	4.6
602.35419	5.2
603.00592	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	603.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.2
61.98825	4.3
69.76530	1.5
71.01395	7.1
73.02941	3.0
83.01340	1.8
83.98161	1.4
85.02960	6.6
87.00894	4.0
87.62623	1.4
89.03982	1.8
95.01363	1.8
95.05020	2.1
98.21789	3.2
99.00896	3.0
101.02455	4.8
101.26001	1.4
105.03475	13.0
111.00844	1.7
113.02464	35.8
114.02802	2.9
121.02997	4.4
123.04539	2.7
132.02176	3.6
133.02975	100.0
134.03824	16.2
134.64757	1.7
135.04565	12.1
137.02478	24.4
139.04028	5.6
148.05238	1.8
150.03198	3.1
151.04024	2.1
160.01686	13.0
161.02460	24.8
161.04523	14.3
175.03951	3.9
176.04785	5.9
177.01956	55.6
177.05434	2.7
178.02730	40.3
178.04907	2.2
179.03494	13.9
191.13614	1.5
203.03520	6.6
220.03810	27.7
221.04433	2.2
223.73228	1.5
231.10292	5.7
250.04773	3.6
251.05545	2.2
257.08157	3.6
275.09283	64.9
276.09619	3.6
280.05829	3.8
281.06686	3.0
317.10342	17.3
322.06900	2.2
340.07986	23.5
341.08673	5.6
347.11478	8.9
359.11243	2.4
377.12326	11.1
436.10236	3.6
437.14542	28.9
438.11517	29.2
439.12112	2.7
463.15125	2.7
470.14575	10.3
506.16940	1.9
507.14484	2.0
551.24457	1.5
554.25171	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.2
55.14746	2.0
56.77079	2.0
57.38304	2.0
59.01386	18.6
62.88983	1.9
68.78993	2.0
71.01387	34.1
71.28315	2.7
73.02946	5.0
85.02963	17.3
87.00897	3.3
89.02470	15.7
93.03484	6.7
95.01410	6.2
96.96043	2.8
97.02959	3.0
99.00903	2.9
101.02453	17.4
111.59962	2.1
113.02455	26.5
115.04013	10.3
117.03484	18.9
119.03593	3.3
119.05045	90.8
120.05371	5.2
121.02969	5.2
131.05112	2.7
132.05789	2.3
133.02943	3.9
133.05066	3.5
133.06606	16.3
135.04561	5.1
140.92894	2.0
145.02968	99.9
146.03363	4.0
151.03932	2.3
161.02425	12.7
161.04718	3.5
161.06079	36.5
163.04036	100.0
163.05411	5.7
164.04375	5.2
168.09711	2.2
177.05571	9.7
179.03554	2.8
179.05562	3.2
187.04007	9.0
205.05048	40.3
235.06116	7.6
241.07349	6.7
265.07245	11.0
277.09326	5.9
283.08347	5.8
285.99127	2.4
295.10315	6.6
325.09332	12.1
403.12662	13.6
406.12851	2.3
423.12802	15.8
441.14047	98.4
442.14325	11.5
483.15042	3.2
596.97491	2.3
603.19354	66.8
604.19513	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	603.194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.2
55.14746	2.0
56.77079	2.0
57.38304	2.0
59.01386	18.6
62.88983	1.9
68.78993	2.0
71.01387	34.1
71.28315	2.7
73.02946	5.0
85.02963	17.3
87.00897	3.3
89.02470	15.7
93.03484	6.7
95.01410	6.2
96.96043	2.8
97.02959	3.0
99.00903	2.9
101.02453	17.4
111.59962	2.1
113.02455	26.5
115.04013	10.3
117.03484	18.9
119.03593	3.3
119.05045	90.8
120.05371	5.2
121.02969	5.2
131.05112	2.7
132.05789	2.3
133.02943	3.9
133.05066	3.5
133.06606	16.3
135.04561	5.1
140.92894	2.0
145.02968	99.9
146.03363	4.0
151.03932	2.3
161.02425	12.7
161.04718	3.5
161.06079	36.5
163.04036	100.0
163.05411	5.7
164.04375	5.2
168.09711	2.2
177.05571	9.7
179.03554	2.8
179.05562	3.2
187.04007	9.0
205.05048	40.3
235.06116	7.6
241.07349	6.7
265.07245	11.0
277.09326	5.9
283.08347	5.8
285.99127	2.4
295.10315	6.6
325.09332	12.1
403.12662	13.6
406.12851	2.3
423.12802	15.8
441.14047	98.4
442.14325	11.5
483.15042	3.2
596.97491	2.3
603.19354	66.8
604.19513	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	603.194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.2
55.14746	2.0
56.77079	2.0
57.38304	2.0
59.01386	18.6
62.88983	1.9
68.78993	2.0
71.01387	34.1
71.28315	2.7
73.02946	5.0
85.02963	17.3
87.00897	3.3
89.02470	15.7
93.03484	6.7
95.01410	6.2
96.96043	2.8
97.02959	3.0
99.00903	2.9
101.02453	17.4
111.59962	2.1
113.02455	26.5
115.04013	10.3
117.03484	18.9
119.03593	3.3
119.05045	90.8
120.05371	5.2
121.02969	5.2
131.05112	2.7
132.05789	2.3
133.02943	3.9
133.05066	3.5
133.06606	16.3
135.04561	5.1
140.92894	2.0
145.02968	99.9
146.03363	4.0
151.03932	2.3
161.02425	12.7
161.04718	3.5
161.06079	36.5
163.04036	100.0
163.05411	5.7
164.04375	5.2
168.09711	2.2
177.05571	9.7
179.03554	2.8
179.05562	3.2
187.04007	9.0
205.05048	40.3
235.06116	7.6
241.07349	6.7
265.07245	11.0
277.09326	5.9
283.08347	5.8
285.99127	2.4
295.10315	6.6
325.09332	12.1
403.12662	13.6
406.12851	2.3
423.12802	15.8
441.14047	98.4
442.14325	11.5
483.15042	3.2
596.97491	2.3
603.19354	66.8
604.19513	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	603.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04107	0.5
59.01371	1.0
60.05117	0.4
62.95037	0.4
69.97382	2.1
71.01341	0.6
75.96987	0.5
96.95998	0.9
107.20998	0.4
113.02458	0.9
113.75688	0.6
120.20007	0.5
121.05309	0.7
122.06116	3.0
124.07716	2.2
129.02019	0.5
134.06085	1.6
136.06770	0.7
136.07697	10.3
161.07202	2.6
162.05560	0.9
173.07224	6.1
174.07878	0.7
176.07179	4.6
178.08720	1.0
185.07210	1.7
186.07913	1.2
187.08801	3.3
188.09480	0.7
189.10358	6.3
199.05099	1.1
199.08733	1.7
211.08649	0.6
211.62013	0.5
212.09558	0.9
213.06711	11.3
213.10150	2.5
214.07503	6.2
214.11040	1.0
215.08272	48.1
215.11763	3.2
216.08624	2.7
220.48122	0.5
225.06769	0.7
225.10338	0.7
226.07368	0.5
229.13405	1.5
233.09314	1.8
239.08231	1.5
239.11858	1.2
240.09050	6.3
241.09837	10.8
242.10492	3.0
243.11272	1.3
244.08453	0.5
253.09999	0.5
255.11400	9.8
267.07748	5.0
268.08536	26.5
269.09314	10.1
286.09598	1.0
346.15744	0.6
348.17166	2.6
364.16730	1.5
366.18329	0.8
392.16190	100.0
393.16507	8.9
404.15857	0.6
410.17307	8.1
411.17871	0.7
422.17197	8.8
423.16913	0.6
440.18262	9.3
441.18665	1.0
541.98248	0.5
573.23236	0.8
603.24689	25.6
604.25201	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	603.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	11.9
61.98849	2.9
71.01382	10.3
71.29970	2.3
73.02929	2.6
82.02985	3.6
83.05048	3.2
85.02959	7.1
85.66073	2.0
89.02419	3.0
96.96004	2.0
99.00841	3.1
101.02470	4.6
106.06631	38.7
108.04536	3.7
110.02493	2.8
110.06124	5.2
111.00957	2.5
113.02464	9.2
117.03490	10.6
119.05055	4.9
120.04538	7.6
121.02985	2.9
122.06143	6.2
124.07674	5.3
126.20610	2.0
127.32398	2.0
129.01929	3.3
133.03076	2.2
134.06133	5.9
136.07701	41.7
138.05617	7.9
145.02972	39.1
147.03284	2.8
147.05678	3.2
148.04054	23.0
149.04790	4.2
150.05612	49.4
152.07120	3.1
160.04007	7.2
161.02498	2.5
161.04744	8.3
161.07208	10.8
162.05641	8.7
163.04042	6.8
164.03598	2.4
164.07159	5.2
168.06702	2.8
172.07756	4.5
173.03548	14.5
173.07234	9.2
174.04340	21.1
174.05647	5.3
175.05109	18.0
175.06416	2.5
176.05930	6.2
176.07188	6.4
177.06726	6.9
179.05724	3.2
179.08295	14.8
187.08847	5.2
188.07195	5.9
189.06735	5.7
189.10388	6.1
191.05730	2.6
192.06613	3.1
198.06989	4.8
199.07689	6.2
200.07248	10.2
203.04703	7.8
203.08182	2.7
212.07137	2.5
213.06688	12.6
213.10304	2.5
214.05421	2.8
214.07204	4.4
214.08945	4.6
215.08255	66.3
216.08873	16.5
217.09804	26.5
227.03517	6.0
227.05836	7.5
227.07996	3.3
233.09323	4.0
239.08305	4.2
240.06671	5.4
240.09030	4.9
241.07402	10.5
241.09871	14.0
242.08258	49.9
242.10629	4.3
243.07875	8.9
243.11053	2.0
252.08907	2.7
254.08232	3.8
255.02974	12.4
255.11418	6.5
257.09268	6.7
258.10123	16.4
259.10864	28.8
260.11386	2.5
267.07803	9.4
268.08582	37.8
269.09332	12.2
278.29691	2.4
282.12561	3.5
284.03406	13.5
285.04129	4.1
285.08868	9.1
286.09442	2.8
324.17313	3.4
326.00610	2.6
338.11539	6.9
354.11877	6.6
366.18271	14.2
377.14902	4.8
379.15787	2.4
392.16165	94.8
393.16547	8.0
394.17700	2.9
395.16232	12.9
398.10934	2.3
404.16235	14.1
410.17313	8.8
412.18961	4.3
421.16367	5.8
422.17230	32.9
423.15585	52.6
424.16147	4.7
440.18311	70.3
441.18774	4.3
450.11871	6.8
481.17920	2.3
520.19861	9.6
523.13416	27.9
523.63788	3.9
560.16113	10.3
561.23792	3.1
573.23889	4.0
585.23370	5.1
603.24701	100.0
604.24835	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	603.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61368	1.6
57.17225	1.8
58.10582	1.7
59.01383	8.8
61.98831	4.7
61.99146	1.8
64.38972	1.6
65.67467	1.5
69.11506	12.1
69.11913	3.1
70.57111	1.9
71.01360	2.6
85.02966	3.1
87.00880	2.1
89.02424	2.0
96.96012	3.6
98.22484	3.0
99.92597	9.3
100.24358	1.5
101.02470	2.0
108.04586	4.4
113.02489	2.8
115.92088	11.2
116.92873	45.6
116.93711	2.2
117.92940	2.9
120.04546	5.0
121.05268	2.1
125.09740	4.8
129.01978	4.6
133.02950	8.2
134.03743	1.7
134.06129	3.2
135.04538	3.1
136.07690	48.7
136.36136	1.6
137.07970	2.0
138.09277	4.0
148.04057	19.8
149.04823	5.2
150.05632	19.7
160.04042	2.5
161.02460	3.9
161.04747	3.1
161.07277	2.8
162.05638	3.7
171.04575	3.1
172.05315	5.0
173.03563	7.2
173.06082	6.2
174.04323	15.3
174.05629	3.0
175.05139	5.8
176.05888	3.0
177.01900	3.0
177.06779	7.8
179.03442	1.7
179.06830	2.7
179.08282	36.3
184.05295	1.9
184.91980	1.7
189.06685	5.3
198.05608	2.3
198.06903	17.8
199.07701	20.6
200.07069	3.1
210.05600	2.0
212.06996	8.2
214.08748	5.5
215.08240	5.1
216.06667	4.5
216.09030	8.6
217.09828	8.5
221.90663	2.0
227.05827	4.8
236.07179	3.1
237.07759	1.9
240.06572	4.6
241.07402	6.3
241.09651	1.8
242.08325	22.6
254.08255	17.2
255.08838	1.8
257.09448	3.1
258.10129	3.5
259.10919	4.6
275.09265	3.3
285.08862	3.3
287.14011	7.6
312.13574	12.2
313.15265	2.9
337.15558	4.3
340.12714	2.2
354.18430	10.6
379.16647	95.2
380.16806	10.2
396.19336	55.0
397.19681	5.7
422.17294	7.9
423.18155	3.1
440.18158	4.3
452.09433	1.9
475.19644	2.7
476.20502	12.4
517.17474	2.7
517.24640	3.1
523.16748	1.9
549.15942	3.5
559.25757	100.0
560.26166	14.6
603.17188	5.1
603.26056	9.9
617.42950	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	603.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	14.6
59.30974	1.4
61.98842	10.7
63.32684	1.5
69.02930	14.7
71.01392	12.0
71.01726	2.4
73.02956	4.9
82.02998	3.1
83.01408	1.9
83.05017	2.9
85.02972	9.0
87.00870	4.2
88.98793	1.7
89.02452	11.4
96.96018	2.7
99.00890	10.1
101.02457	6.6
108.04558	3.6
109.02987	1.4
110.02474	1.6
110.51514	1.3
111.00912	2.9
113.02473	12.6
119.05089	2.2
120.04549	5.9
121.02931	1.8
127.03994	2.2
129.01930	10.6
131.03543	1.5
133.02980	6.1
134.03735	4.6
134.06145	4.0
135.04526	4.9
136.01682	11.9
136.07690	60.9
137.02420	9.5
138.09233	3.1
139.03981	2.2
145.03017	2.2
148.04060	14.5
149.04697	8.9
150.05638	8.8
160.04018	2.5
161.02422	5.1
161.04683	7.8
161.07179	3.4
162.05579	3.9
171.08124	2.3
172.05275	2.3
173.03566	4.0
173.06134	2.7
174.04323	9.4
174.05647	6.8
175.05150	3.9
176.05954	4.1
177.01942	2.4
177.06674	12.1
178.02721	2.2
179.03477	3.2
179.08261	46.9
180.08534	1.7
187.07652	3.1
188.07260	3.4
189.06755	12.9
190.51631	1.6
191.05666	5.0
198.07007	8.7
199.07751	9.4
212.07204	8.9
214.08743	5.1
215.08327	3.2
216.09036	4.3
217.09929	3.7
223.07730	1.5
227.05896	1.9
231.10367	2.8
233.06544	4.2
236.07153	2.9
240.06702	4.7
241.07628	8.8
241.09703	3.4
242.08293	18.6
243.08321	2.2
252.06642	2.0
254.08197	23.3
255.08919	2.5
257.09189	2.6
258.10049	4.6
259.10797	7.2
275.09344	2.6
287.14008	4.2
309.17032	3.1
312.13751	8.7
333.08472	2.4
340.13074	2.0
354.18265	5.9
355.18341	1.8
379.16653	100.0
380.17041	10.5
396.19293	43.1
397.19614	2.4
422.17203	9.1
437.14850	2.1
473.32562	1.7
475.19708	4.3
476.20694	16.5
517.25146	2.3
543.28101	1.8
549.16473	3.5
559.25653	89.4
560.25836	10.5
567.17474	2.8
603.26141	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	604.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01096	0.9
59.01386	13.3
69.22802	1.0
69.23212	5.0
71.01394	12.3
73.02951	3.4
83.01398	1.1
85.02967	7.5
87.00888	2.5
89.02457	6.3
95.01406	1.8
98.22543	1.3
99.00887	1.3
101.02457	8.8
101.27087	0.7
106.06638	98.4
107.06982	3.3
108.08224	1.3
113.02477	7.5
119.03510	1.9
120.04517	0.9
122.06155	1.2
124.07673	0.8
131.03549	2.7
132.04544	1.2
136.07726	3.8
137.08034	1.0
140.65309	0.7
141.01721	0.9
143.03593	1.0
145.02972	0.8
146.06090	1.1
148.04086	1.3
150.05621	100.0
151.05988	3.3
159.03015	1.2
161.04591	6.3
161.07233	2.0
162.05611	1.3
164.07170	6.6
173.07204	2.4
174.04352	0.9
174.07652	0.8
176.07188	1.6
179.05659	2.7
179.08267	1.4
187.08755	0.9
189.10323	1.1
192.06705	7.8
194.04602	11.2
195.04958	0.9
213.06703	3.0
214.07301	2.4
215.08252	11.6
215.11623	0.9
216.08603	4.7
217.09714	1.7
221.06645	3.9
236.05565	1.0
240.08942	1.3
241.09702	2.9
242.08228	2.4
243.08444	1.1
252.08780	3.2
255.11470	1.3
256.11813	0.9
258.09772	1.2
259.10782	2.4
260.11264	1.4
263.07727	1.4
267.07706	2.2
268.08527	8.4
269.08917	5.3
270.09836	0.9
286.09247	1.0
296.07727	2.8
312.10971	1.3
335.70901	0.9
338.08887	2.8
354.11938	15.9
356.09903	7.8
392.16205	8.9
393.16489	12.3
398.10892	11.6
404.16092	1.4
405.16528	2.5
422.17175	2.9
423.17627	5.1
424.15976	1.7
440.18222	4.5
441.18649	5.2
518.15302	1.1
521.20178	1.3
527.84033	0.8
542.15161	2.7
560.16272	31.4
561.16309	3.0
586.23413	0.9
603.24860	1.1
604.16504	1.0
604.25171	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	605.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	52.2
61.98827	24.1
69.35124	71.8
71.01380	39.3
82.02985	13.5
85.02962	25.7
87.00886	18.2
89.02463	10.4
97.02980	9.9
97.06568	14.6
98.21835	19.3
99.00890	10.3
101.02442	19.1
113.02480	64.4
114.00207	9.7
119.05085	11.5
125.09765	11.4
128.03462	12.6
129.01912	22.6
133.02975	35.4
134.03677	11.5
135.04530	20.4
136.07716	12.7
137.02458	27.0
138.09233	9.7
145.02962	11.3
145.06277	12.1
148.04045	27.7
150.05608	41.2
159.10245	17.6
161.02425	34.0
172.05188	12.3
173.03532	10.3
177.01961	19.8
178.02643	11.6
185.83183	10.0
187.09926	12.5
191.05725	18.4
227.12944	16.4
244.09744	10.4
287.14053	31.5
312.13538	17.2
370.17725	39.8
381.18146	37.9
385.15384	10.9
424.18805	21.7
425.17038	12.9
437.14517	10.7
440.13245	22.1
442.19904	100.0
508.73383	10.0
537.19873	14.6
605.27832	57.0
622.12445	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	605.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91209	7.4
59.01388	55.5
61.98826	41.3
69.21819	7.8
71.01370	31.9
71.31877	10.1
73.02922	8.9
85.02959	29.9
87.00860	12.8
88.98816	18.5
89.02472	11.2
93.03532	8.2
96.95983	12.6
97.06613	13.2
99.00877	10.3
101.02447	26.6
113.02447	41.8
125.09691	8.8
129.01917	14.4
132.55760	7.8
133.02982	100.0
134.03671	26.7
135.04527	19.2
137.02429	27.4
148.05342	18.7
161.02531	48.0
161.04642	11.7
171.10362	11.9
177.01932	23.5
178.02713	22.9
179.00003	8.7
179.03502	19.7
187.09743	9.3
191.05598	20.3
193.57776	9.6
231.10112	10.0
255.03036	11.0
275.09210	24.5
276.09854	12.6
299.02109	12.8
325.53018	8.5
440.13306	72.7
537.19952	34.0
605.19806	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	605.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	7.5
61.98811	2.9
71.01377	2.8
81.03490	1.6
82.02973	2.8
83.01348	1.0
85.02988	2.6
85.51271	1.2
89.02451	1.8
89.48790	1.3
98.02493	2.0
98.85097	1.5
107.62842	1.7
108.04545	4.3
110.02467	6.4
110.78857	1.4
113.02445	3.1
120.04600	7.0
122.06110	2.5
122.61515	1.3
132.04549	3.8
134.03726	1.7
134.06099	3.6
135.03241	2.3
136.07698	18.4
138.05554	1.6
138.09244	3.0
146.41626	1.1
147.03221	3.4
147.06956	1.7
148.04062	48.6
149.04858	17.6
150.05611	57.2
154.05135	1.3
159.05667	2.3
160.04039	10.0
161.04842	10.5
162.05624	8.6
164.03551	6.6
164.98924	1.2
166.08714	3.5
172.05312	1.4
172.07758	2.1
173.03558	3.3
173.04819	1.9
173.06065	3.1
174.04323	8.0
174.05643	4.2
175.05103	8.5
175.06445	2.1
176.05855	3.5
177.06732	12.4
179.08260	6.8
184.62422	1.4
187.06413	1.2
187.07683	11.4
188.07231	4.3
189.04208	2.2
189.06725	3.4
190.07416	8.3
191.05791	1.6
191.08020	1.9
201.07982	2.1
203.04628	4.7
213.06625	1.5
213.09189	1.3
214.05078	1.9
215.05832	1.5
215.08229	4.0
216.06673	100.0
217.07434	16.0
229.09854	1.9
231.07651	4.2
232.08548	14.6
233.09306	35.4
243.07767	1.4
244.09982	9.1
245.09367	1.7
246.10246	1.8
254.06937	1.4
254.58632	1.2
255.07803	6.8
256.08545	3.5
257.08102	12.3
258.06308	2.4
259.07248	3.7
287.10461	2.4
287.13690	1.4
290.09000	1.5
305.11530	5.5
313.11990	2.1
315.13492	23.4
316.13724	1.4
335.13931	1.7
338.11465	1.7
340.13049	6.8
342.14520	1.4
370.17700	4.8
376.13016	2.1
377.13803	8.6
378.14600	7.7
381.14618	8.8
383.15820	2.0
395.14703	3.3
396.15732	7.0
398.17209	34.5
406.13806	1.4
424.14719	2.7
425.16791	1.5
437.14435	4.0
440.14532	1.7
442.20288	9.4
468.17712	4.5
469.25302	1.3
535.18372	3.6
543.22522	16.9
544.22888	2.1
561.23535	25.9
562.23468	4.4
587.21533	1.5
605.23535	2.8
629.28577	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	605.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.7
59.01389	4.1
61.98837	2.5
68.79316	0.5
69.12895	0.5
71.01382	2.1
71.29933	0.8
73.02934	1.0
82.02989	1.6
83.05045	1.9
85.02979	1.2
88.98820	0.6
89.02480	0.6
93.03442	0.6
96.04574	0.5
96.96030	0.9
97.06625	0.6
99.00942	0.5
101.02451	1.1
108.04567	0.8
113.02460	3.2
120.04582	0.9
121.02979	0.5
122.06159	0.7
123.04537	0.5
124.07713	1.3
129.05573	3.0
132.04567	0.7
133.02975	1.8
133.06555	0.5
134.03644	0.7
134.06117	0.7
135.04555	1.1
136.07700	4.9
137.02464	1.2
138.05618	0.7
138.09244	3.4
147.03288	1.5
148.04076	6.6
148.07632	0.6
149.03696	0.6
149.04829	1.7
150.05640	4.8
157.06625	0.8
159.08075	0.7
160.04057	2.9
160.35773	0.5
160.37108	0.5
161.02477	1.8
161.04814	5.0
162.05591	1.5
171.04530	0.6
171.08177	0.9
172.05295	2.7
172.07623	0.7
173.03545	1.1
173.04787	3.5
173.06111	4.5
173.09749	1.4
174.04311	2.3
174.05627	9.0
175.05115	1.4
175.07573	0.6
177.06689	0.9
179.08247	1.3
183.08078	0.6
186.05557	1.2
187.06425	1.6
189.06752	1.0
190.07401	1.2
191.05655	1.2
191.08298	0.9
199.07716	3.7
200.06900	2.4
200.08714	0.8
201.07584	3.4
201.09561	4.5
202.08740	6.7
207.75613	0.5
213.07298	0.4
213.09190	2.6
214.08733	4.5
216.10338	2.3
218.08318	0.6
225.07906	0.6
226.08719	1.8
227.07149	1.8
228.06706	1.7
229.07513	1.6
232.08553	1.5
233.09224	0.9
240.10153	0.5
242.08253	8.4
243.09074	6.0
244.09859	13.8
245.09798	0.9
256.09915	2.4
258.11337	0.8
287.13962	3.1
297.12500	1.7
312.13608	2.9
320.16525	1.4
328.16745	1.0
338.17502	1.0
339.17075	2.8
340.16861	0.5
359.34018	0.5
363.17361	1.2
370.17691	5.3
381.18216	100.0
382.18454	11.9
400.18701	0.9
424.18948	3.3
425.17343	1.9
437.14603	0.6
442.13950	0.8
442.19864	10.5
443.20102	0.8
475.19913	3.4
476.20410	0.8
533.23785	0.6
555.86249	0.5
587.25244	2.3
605.26404	7.8
606.26257	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88393	0.7
53.13316	0.6
57.03437	1.6
58.00210	0.6
59.01375	4.5
61.98825	1.9
69.01325	5.5
69.01730	1.4
71.01379	2.5
73.48401	0.7
75.32164	0.6
82.03003	1.7
83.01370	0.8
83.05035	2.0
83.30638	0.9
85.02949	2.0
87.00871	0.6
89.02476	0.8
93.03519	0.9
95.03736	0.8
96.04598	0.8
96.96052	3.3
99.00932	0.6
99.51549	0.7
101.02441	1.4
108.04594	0.8
108.64205	0.6
112.04024	0.7
113.02442	4.2
116.92830	0.9
120.04533	1.1
122.06120	1.9
124.07648	1.1
125.09711	3.2
129.01921	1.5
129.05569	2.6
133.03000	3.4
134.03729	0.9
135.04535	0.9
136.07686	5.6
137.02435	0.8
137.08090	1.1
138.09276	2.1
147.03329	1.2
148.04100	6.9
148.05280	1.1
149.04799	2.8
150.05623	6.4
159.06822	0.9
160.04044	2.7
161.02538	1.9
161.04845	4.1
162.05611	1.9
172.05325	2.7
173.03577	1.5
173.04790	3.3
173.06088	4.4
173.09697	1.4
174.04338	3.6
174.05634	8.4
175.05061	1.5
177.01891	1.5
179.03413	0.8
179.08238	1.1
180.08604	0.7
181.08669	0.7
186.05531	1.3
186.06985	1.0
187.06425	0.9
187.09807	1.7
189.06674	2.1
190.07367	1.4
191.05794	1.1
191.08340	1.1
198.07010	0.8
199.07689	4.5
200.07262	2.4
201.07649	1.3
201.09465	5.3
202.08733	6.7
213.09186	3.0
214.08711	4.5
216.10274	1.7
224.07318	0.6
226.08656	1.4
227.07190	1.4
228.06639	1.4
229.07458	1.2
232.08487	1.5
233.09354	1.7
242.08263	8.6
242.10533	0.9
243.09001	5.7
244.09880	12.4
245.09866	1.1
256.09808	2.8
258.11258	1.1
270.17416	0.8
275.09140	0.8
287.14081	4.1
297.12323	0.9
312.13531	2.6
328.16635	1.3
333.18747	0.7
339.17123	2.4
370.17786	8.7
371.18088	0.8
379.16650	1.3
379.25262	0.7
380.17145	1.7
381.18213	100.0
382.18417	11.6
397.19748	1.7
398.20148	0.8
400.19025	0.9
415.95120	0.7
423.18698	0.7
424.18527	3.6
425.17398	2.9
440.13290	1.9
442.19873	16.0
443.20337	2.1
462.68192	0.8
475.19775	2.4
533.24261	0.9
552.50061	0.7
561.26715	4.6
587.24969	2.3
605.26282	11.5
605.33960	0.7
606.26672	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.9
59.01387	6.3
59.14688	0.6
60.79006	0.7
61.98835	8.4
62.65125	0.6
70.20963	2.7
71.01386	3.4
73.02909	0.8
77.70463	0.6
82.02972	2.2
83.05021	1.6
85.02953	1.9
87.06406	0.6
89.02473	0.9
96.04591	0.6
96.96021	1.6
97.02992	0.9
97.06618	0.8
99.00861	1.1
101.02454	1.9
108.04552	1.1
110.02472	1.0
110.06099	1.0
111.00840	0.7
113.02459	5.2
116.92889	0.8
119.04996	1.1
120.04563	1.6
122.06120	0.9
124.07687	1.1
129.01935	1.2
129.05600	3.0
132.04570	0.9
133.01729	0.7
133.02956	2.3
134.03668	1.0
134.06177	1.1
136.01706	0.8
136.07678	5.3
137.02528	1.0
138.09245	2.9
147.03253	1.3
148.04048	10.7
149.04794	2.1
150.05611	8.9
154.05109	1.2
157.06612	1.0
158.06198	0.8
160.04082	3.8
160.05255	0.8
161.02478	1.3
161.04761	4.4
162.05565	2.2
172.05341	3.5
173.03537	1.5
173.04883	3.4
173.06076	4.6
173.09561	1.6
174.01743	1.2
174.04309	3.9
174.05629	7.9
175.05135	2.0
176.05836	0.9
177.01898	1.3
186.05609	2.1
187.07729	1.1
188.07205	0.9
189.06718	2.6
190.07521	1.3
191.05626	2.4
191.08279	1.9
199.07692	4.3
200.07170	2.4
201.07857	3.0
201.09460	5.1
202.08736	5.5
213.09190	2.9
213.52582	0.8
214.08694	3.5
216.10336	1.2
224.07077	0.8
225.07895	0.8
226.08839	1.9
227.07146	2.0
228.06670	1.7
231.08044	0.9
232.08543	1.6
233.09351	1.9
242.08220	8.3
243.09084	6.2
243.11330	1.1
244.09850	14.0
245.09547	1.3
254.12019	0.7
256.09866	2.3
258.11215	1.1
275.09183	1.3
287.14029	5.4
297.12424	1.3
307.24112	0.8
312.13544	3.4
313.11780	0.9
328.16867	1.6
339.13510	0.7
339.17084	4.0
352.17029	0.7
363.17358	1.2
370.17712	11.3
371.18091	1.3
381.18207	100.0
382.18387	12.9
400.18860	1.2
424.18826	5.5
425.17368	1.8
442.19852	20.3
443.20261	2.0
475.19757	2.9
533.23907	0.7
549.17358	0.8
587.24847	3.0
605.26178	10.8
605.34741	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43751	1.1
57.03459	1.3
59.01386	26.9
61.98826	10.2
64.66821	1.1
69.03453	1.1
69.07718	2.6
69.08126	10.0
71.01389	14.6
72.99347	1.5
73.02940	5.9
78.95895	1.2
82.95422	2.6
83.01386	2.5
85.02949	7.2
87.00886	4.7
89.02492	5.6
95.01404	2.2
95.05026	2.1
96.96027	1.4
98.22571	2.7
99.00910	1.3
101.02454	9.1
102.11258	1.5
105.03492	6.1
109.06548	1.1
113.02460	10.7
119.03495	1.2
132.02200	2.2
133.02977	40.7
134.02214	1.1
134.03690	8.1
135.04549	5.4
137.02448	9.0
139.04053	2.2
150.03233	2.5
159.04556	1.4
160.01685	5.4
161.02466	11.9
161.04544	4.8
162.02818	2.6
163.04030	1.3
176.04796	2.6
177.01939	26.1
177.05583	1.5
178.02716	15.7
179.03535	7.3
187.07701	2.0
194.02165	1.8
203.03493	2.7
220.03799	10.4
221.04382	1.3
231.10428	1.6
250.04897	1.3
257.08337	1.8
275.09305	23.5
276.09561	3.3
280.05954	2.1
281.06827	1.3
309.24344	5.5
317.10330	5.1
327.25415	7.6
339.25430	15.7
340.07990	8.5
340.25873	1.6
341.08673	3.2
342.08627	1.3
347.11404	3.1
357.22659	2.0
357.26480	26.1
358.26785	2.4
377.12482	5.2
419.13644	1.7
431.17532	1.3
437.14594	9.3
438.11185	7.5
439.11887	1.3
470.14374	2.9
483.15912	2.0
501.30768	14.0
502.30942	2.4
508.14481	1.4
519.31824	25.2
520.32080	1.9
561.32843	100.0
562.33344	12.5
605.26318	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	606.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.0
57.03437	1.3
59.01094	0.9
59.01378	17.4
61.42213	0.9
61.98832	1.7
69.03413	0.9
71.01382	18.0
71.31738	1.2
73.02965	6.1
73.56517	0.9
83.01383	2.8
85.02945	6.9
86.00092	0.8
87.00863	3.8
89.02448	8.0
95.01367	1.5
97.02971	1.0
99.00886	1.7
101.02453	11.5
106.06637	2.1
108.08202	79.1
109.08517	1.9
113.02459	10.1
119.03532	3.6
119.04991	1.1
125.02445	1.4
131.03494	4.2
134.06168	1.1
136.07672	0.9
143.03506	3.0
149.93793	0.8
150.05580	1.8
151.00392	0.9
152.07182	100.0
153.07507	4.0
159.03009	0.9
161.04578	7.2
161.05801	1.3
166.08739	6.9
179.05591	3.4
179.31335	0.9
189.06804	1.2
194.08229	6.2
196.06174	22.9
221.06674	4.8
238.07199	2.4
241.01448	2.1
251.20853	0.8
254.10258	2.1
263.07498	1.0
270.01651	1.2
271.02524	2.7
298.09332	5.2
299.02252	2.1
300.02753	1.6
340.10321	4.4
352.16748	2.1
356.13553	6.2
358.11429	13.5
382.17780	1.1
400.12466	17.8
401.12769	1.6
464.52628	0.9
544.16351	2.1
562.17816	40.3
563.18054	4.3
607.12781	3.2
607.24402	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	606.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44777	0.5
58.00577	0.7
59.01381	19.8
71.01025	1.0
71.01382	9.4
71.13319	1.1
71.13655	0.7
72.99298	1.0
85.02943	2.6
85.06593	8.5
87.00880	0.9
89.02447	10.3
95.01421	0.6
101.02448	8.6
103.77274	0.5
106.47164	0.5
113.02459	4.0
113.06091	2.7
115.07659	1.2
119.03510	4.3
127.07665	1.3
131.07149	37.8
132.07423	0.9
138.42499	0.6
173.08186	1.5
213.59544	0.6
293.12436	100.0
294.12750	5.4
309.91504	0.6
485.35013	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98826	34.5
64.49984	3.2
71.01376	11.3
73.02946	6.8
78.95921	3.9
80.96543	4.4
81.51020	3.0
85.02961	9.0
87.00851	3.6
88.98783	3.4
89.02454	4.2
98.22559	5.3
101.02458	9.3
113.02499	10.5
133.02982	7.6
151.70927	3.4
152.94604	2.9
161.02393	5.9
179.03519	5.1
187.07570	3.9
219.85262	2.9
225.82034	3.2
231.07759	7.1
563.34387	98.2
564.34619	9.0
607.27118	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	607.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.6
57.03443	3.3
59.01385	69.1
61.98836	19.4
65.75108	2.4
69.03471	2.8
71.01392	33.6
71.30211	4.2
73.02943	8.1
80.96533	4.0
83.01390	6.2
85.02959	10.0
87.00881	20.4
88.98814	3.8
89.02458	13.6
91.08469	2.5
99.00914	5.8
101.02435	18.2
111.00915	5.6
113.02471	20.8
115.07681	3.0
133.02988	12.6
135.04543	3.0
136.07681	7.0
136.90828	2.6
138.09239	5.2
161.02444	3.6
161.04587	4.4
161.07239	4.4
175.08800	2.8
177.01952	3.2
177.06732	12.0
179.03606	3.5
187.08768	7.4
188.07231	11.5
189.06697	15.6
191.05640	3.5
197.15480	3.3
203.03438	3.0
203.08337	3.0
204.09094	3.4
205.09837	21.9
209.11917	3.2
213.06776	17.6
229.06207	7.1
230.06996	7.6
231.07759	78.9
232.08025	3.8
243.19696	5.3
249.08778	20.1
273.20773	9.7
313.23926	2.5
341.27097	15.1
352.20224	3.7
359.28046	38.1
371.18924	3.0
412.15494	2.8
426.14774	2.0
426.20413	48.8
427.20612	3.4
436.10034	3.8
444.21326	56.1
445.21808	4.2
450.04294	3.2
461.49283	2.5
477.31976	2.9
503.32257	42.3
504.33057	3.8
521.33398	46.5
522.33569	7.0
563.34454	100.0
564.34515	15.0
607.27887	44.5
608.28754	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	609.1255
Annotation	Kaempferol 3-(6''-caffeoylglucoside)
Peak:m/z	Relative Intensity
54.07481	0.7
58.08215	0.8
59.01387	4.4
61.98822	2.0
63.02390	1.5
65.00325	1.9
69.32727	6.4
71.01368	2.7
73.02956	1.8
83.01373	1.3
85.02974	1.9
89.02476	1.3
93.03463	2.7
101.02451	1.6
107.01378	4.0
109.02966	2.0
113.02450	2.0
117.03470	1.6
119.05043	0.9
132.02180	1.2
133.02966	18.6
134.03699	1.9
135.00845	1.0
135.04538	30.5
136.01682	1.6
137.02530	1.3
138.45209	0.7
143.05051	1.0
149.06015	1.3
151.00415	5.5
159.04498	1.8
161.02457	49.2
162.02789	2.2
163.00368	1.8
163.04025	0.9
164.01019	0.8
169.06664	0.8
171.04495	1.3
175.03954	1.1
177.05589	2.6
179.03517	16.5
180.03944	0.8
183.04628	0.9
185.06114	3.2
187.04025	3.0
189.05551	1.8
191.05615	2.1
195.04497	1.0
197.05901	1.0
199.03973	0.9
201.05573	1.4
203.03555	1.4
211.03961	2.3
211.13403	0.9
213.05664	1.6
221.04637	4.3
227.03537	23.5
228.03929	1.8
229.05057	9.9
233.37267	0.9
239.03593	2.3
240.04007	0.9
240.60507	1.0
241.05026	2.1
243.03084	0.9
255.02997	41.8
256.03601	4.5
257.04581	7.5
271.02509	1.9
284.00745	0.8
284.03302	42.1
285.04062	100.0
286.04379	5.9
300.02835	1.3
301.03394	0.9
323.07742	24.9
324.08194	1.4
329.78021	0.9
343.69598	0.8
424.07367	0.8
447.09402	5.2
609.12524	98.6
610.13000	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	609.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45584	0.8
58.70335	0.8
63.02385	0.8
65.00311	2.4
66.27921	0.9
69.62693	2.0
69.63095	3.3
79.18499	0.9
83.01380	1.5
90.69756	0.9
94.02501	0.9
98.22394	1.9
98.53647	0.9
107.01387	3.9
108.02168	2.4
109.02983	1.7
121.02939	2.3
124.92757	0.8
148.01678	1.9
151.00388	12.0
163.00380	2.7
164.01018	1.0
178.99849	7.0
187.83463	0.9
199.03949	1.2
201.05666	1.4
205.79662	0.9
211.03963	1.9
215.03557	1.2
226.02797	1.6
227.03546	4.4
243.02980	13.9
244.03474	1.2
245.04472	1.5
254.02203	2.2
255.03001	38.1
256.03375	3.4
268.45065	1.1
271.02496	77.1
272.03027	6.3
273.03790	1.0
283.02460	1.4
299.01944	1.7
300.02774	91.3
301.03494	40.1
302.03799	2.1
343.04611	1.6
609.14618	100.0
610.14954	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	609.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.0
62.80385	0.4
65.00327	1.0
69.15070	4.3
83.01398	0.5
93.03463	0.5
98.22318	1.7
100.29726	0.6
107.01406	2.4
129.02017	0.7
132.02159	1.1
135.00883	0.9
145.02913	0.6
151.00404	3.8
157.06435	0.6
159.04459	0.5
161.02444	0.6
163.00378	1.4
164.01161	0.9
167.05110	0.5
169.01396	0.8
171.04556	0.6
178.99867	2.0
179.01198	0.5
183.04498	1.3
185.02501	0.8
185.06105	0.7
187.04086	1.2
197.06032	0.6
199.03970	0.5
207.10330	0.9
211.04048	2.5
213.05531	0.9
227.03522	42.6
228.03886	2.9
229.05103	3.1
239.03462	0.6
241.05304	0.5
249.68300	0.5
255.03012	73.3
256.03543	9.0
257.04568	2.7
271.02634	0.9
283.02484	2.5
284.03290	100.0
285.04004	31.4
286.04358	1.5
300.02771	2.1
301.03448	1.3
309.03943	0.7
322.90765	0.6
429.08243	4.5
609.14648	76.3
610.14929	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	609.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34736	0.8
59.01375	1.9
65.00336	1.4
71.01012	0.8
71.01382	2.4
83.01414	1.1
85.02966	1.2
89.02477	1.0
93.03475	1.6
93.26117	0.7
93.62810	0.7
96.96046	1.4
101.02456	1.1
107.01402	1.5
109.03001	0.7
109.87742	0.8
113.02433	1.2
117.03448	1.2
119.05074	0.9
128.03471	1.1
145.03027	1.1
145.06165	1.3
151.00328	4.7
156.66356	0.7
183.04556	3.0
185.02605	1.3
187.04019	1.3
199.04036	1.2
211.04054	3.0
227.03522	8.0
228.66248	1.0
229.04929	1.0
239.03334	1.0
255.03004	57.0
256.03540	3.4
269.04483	0.9
271.02505	7.9
275.14554	0.8
281.04562	1.1
283.02505	100.0
284.03174	15.6
285.04071	82.8
285.07397	1.8
286.04431	4.8
297.03964	1.7
299.01993	15.9
299.05191	1.5
300.02637	2.8
301.03549	11.4
307.06525	1.1
327.05023	4.1
446.08530	16.8
447.09317	68.0
448.09424	4.9
462.08383	3.9
463.08820	5.1
489.10440	4.6
609.14642	63.3
610.15137	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	609.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26135	0.9
59.01363	3.3
71.01385	2.6
71.28696	1.1
81.03480	0.9
83.01378	1.0
85.02953	1.1
87.00899	1.2
87.66357	0.8
89.02472	1.4
101.02440	1.0
107.01379	1.1
109.02982	2.6
110.84534	0.8
113.02462	1.3
117.03446	1.3
119.05050	1.8
121.02948	1.3
133.02977	11.2
134.03784	1.4
135.04514	2.9
137.02460	1.0
147.04527	1.2
149.02425	1.0
150.03203	1.0
151.04047	2.0
161.06174	1.6
162.02849	0.8
163.04083	1.6
175.04042	2.9
177.01941	3.8
177.05573	1.3
179.05554	1.1
191.03456	1.7
201.01959	1.4
203.03566	1.5
205.01544	1.2
205.05017	1.6
208.65742	1.1
209.00966	2.5
227.03554	1.7
253.05153	1.5
255.02998	5.2
257.04620	1.0
267.06674	1.2
271.02405	1.2
282.05441	1.0
283.02557	5.3
283.05786	1.0
285.04010	6.2
297.04117	4.3
298.04871	9.0
299.02316	1.3
299.05466	4.3
301.03702	1.4
309.04111	1.2
311.05646	9.4
312.06400	10.1
313.07169	10.6
314.07443	1.1
323.05704	2.0
325.07239	1.3
327.05151	6.7
339.05090	14.4
340.05420	1.3
341.06735	8.6
344.05121	1.8
351.05176	1.5
353.06659	3.8
357.06183	2.4
369.06171	51.7
370.06531	4.8
371.07809	1.6
381.06158	5.2
383.07715	2.2
399.07224	36.3
400.07587	3.0
411.07248	6.1
413.08859	1.2
429.08292	7.3
441.08353	2.4
446.08917	1.0
447.09589	4.9
453.08502	1.7
459.09161	1.3
471.09598	2.9
489.10443	44.3
490.10843	4.7
501.10098	1.4
519.11444	13.9
520.11292	1.3
591.13586	3.0
609.14642	100.0
610.15076	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	609.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.8
61.98838	19.5
65.11549	1.4
71.01380	7.3
78.98592	4.8
79.95757	10.8
80.96524	61.3
85.02940	2.1
87.00893	3.2
94.98090	12.8
97.02985	1.9
101.02457	2.6
106.98107	3.1
113.02474	1.8
122.97608	2.4
125.02448	1.8
133.03009	2.0
134.97583	4.1
148.99162	5.9
152.98660	5.6
164.98631	12.0
225.00807	13.4
295.25024	1.4
383.35599	1.5
418.71924	1.5
431.35352	1.4
451.01556	1.4
543.87036	1.6
609.25867	100.0
610.26123	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	609.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
71.28368	4.6
71.28728	3.8
75.34284	2.4
78.95895	4.8
80.96523	4.1
99.51747	2.7
199.48984	3.0
231.58168	2.7
242.89104	2.9
255.23271	3.3
347.49771	3.0
432.23294	37.8
433.23489	3.4
447.25604	100.0
448.25861	14.5
473.23685	3.3
474.24362	31.4
475.24292	4.2
489.26813	38.7
490.26709	4.6
491.24451	5.7
533.25616	19.4
535.23474	5.0
550.25403	3.9
565.28473	23.4
635.90930	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	609.294
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15625	0.3
57.02139	0.4
57.03422	0.5
59.01381	7.9
61.98834	1.9
64.51481	0.4
71.01036	0.6
71.01389	7.9
71.32319	0.7
72.99306	0.6
73.02925	1.5
81.91977	0.5
83.01381	1.3
85.02971	3.4
87.00881	0.8
88.98784	0.8
89.02450	2.9
93.03446	0.6
96.04559	0.6
96.95946	0.5
97.02991	0.4
99.00882	1.6
101.02454	4.0
110.06115	0.7
113.02462	3.5
119.03497	1.4
119.05046	0.6
133.02995	1.8
134.03722	0.4
134.06134	1.8
136.07693	5.8
138.09253	20.6
139.07637	0.7
139.09607	0.6
140.07187	1.0
143.03488	1.6
156.10281	0.9
161.02429	0.6
161.04497	1.3
161.07208	32.2
162.05580	2.4
162.07542	0.9
168.10310	2.5
173.07204	22.0
174.07761	1.5
177.01903	1.0
178.02754	0.4
179.03482	0.5
179.05600	0.8
187.05139	1.3
187.08780	4.1
189.10332	5.3
189.72850	0.4
191.05675	1.2
197.07237	0.8
199.08771	0.4
200.05922	0.8
213.06656	2.4
214.09859	1.8
215.08252	100.0
215.11775	3.6
216.06636	0.8
216.08554	5.3
223.08815	0.7
229.06183	0.5
233.09320	23.1
234.09688	1.1
239.08223	0.5
240.73633	0.5
241.09827	24.3
242.10109	1.5
251.15437	0.4
255.02988	0.4
259.07382	2.4
259.10828	6.6
260.10870	0.4
271.02420	1.1
275.09122	0.7
293.08807	0.8
300.02747	1.5
301.03348	0.6
315.18137	2.4
317.10229	0.5
336.20850	1.9
362.18979	0.8
376.76450	0.5
380.19794	2.3
392.80551	0.4
396.15646	6.2
397.15729	0.6
398.20502	1.8
410.20941	2.7
422.17383	1.4
428.21820	6.3
429.22000	0.8
446.22968	16.7
447.22949	3.2
458.14136	0.5
591.28339	2.0
592.28613	0.6
609.13434	1.2
609.29126	38.8
610.29669	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	609.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.6
59.01088	2.8
59.01382	52.8
61.98818	5.2
62.90999	1.5
69.17227	15.9
71.01384	18.1
73.02937	4.2
82.00008	1.4
83.01401	1.8
85.02975	8.7
87.00888	2.6
89.02461	4.8
93.03477	2.1
94.60027	1.8
95.01383	4.8
98.21795	3.8
101.02449	8.6
113.02449	15.5
116.92873	5.6
117.92847	2.0
118.92663	1.6
133.02954	4.9
134.03691	2.1
134.06055	2.6
135.04475	2.7
136.07666	5.8
138.09258	16.5
143.03452	2.2
161.02434	2.5
161.07211	30.6
161.84102	1.7
162.05649	2.7
163.04027	2.3
168.10312	2.3
173.07205	20.4
173.25790	1.7
177.01978	1.7
179.05450	1.7
187.05202	2.8
187.08771	1.9
187.22520	1.8
189.10347	4.6
191.05617	5.0
213.06679	1.7
215.08261	100.0
215.11823	4.8
216.08600	7.8
220.03876	2.6
225.60760	1.5
233.09337	22.9
241.09845	24.8
242.10205	2.7
255.02972	2.8
256.03345	2.0
259.07220	3.1
259.10773	4.8
271.02545	2.4
275.09109	2.0
284.03275	3.8
285.03967	4.4
300.02789	3.0
301.03601	2.5
315.25327	2.3
361.29593	17.1
380.19791	2.4
396.15753	5.5
428.21765	6.9
438.11523	2.5
446.22910	16.6
447.22989	2.8
505.33835	35.4
506.33905	3.4
523.35022	6.7
591.27997	2.6
609.13538	6.4
609.29169	40.7
610.29535	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57895	1.2
55.01868	2.2
57.03460	2.3
59.01374	4.4
61.98829	5.9
67.01910	1.1
68.64301	1.1
69.03471	2.5
69.82777	4.9
71.01373	4.5
73.02953	2.5
73.05220	1.1
81.03453	12.3
83.01392	13.3
85.02962	2.0
89.02471	1.2
93.03471	4.3
95.01405	3.8
95.05014	7.1
97.02944	9.7
99.04514	6.5
107.05036	3.6
109.02968	3.9
111.00917	1.4
111.04532	4.2
113.02412	6.0
117.03471	2.5
119.05039	2.8
121.02964	6.1
123.04533	31.6
124.04852	1.7
125.02458	37.0
125.06135	2.0
133.03030	1.4
135.04539	3.8
137.02429	11.0
137.06078	4.0
139.04013	4.6
147.04529	1.8
149.02472	2.2
151.03998	7.1
151.07599	1.1
153.05605	3.1
154.04895	1.2
155.03487	2.5
161.02434	1.3
163.04008	2.9
165.01962	2.4
165.05566	5.1
166.02719	1.6
167.03503	53.1
167.04930	2.7
168.03838	1.5
177.01974	1.3
177.05518	1.6
179.03494	13.1
181.05093	1.9
191.03563	3.5
193.05064	1.9
197.04567	15.4
207.02972	1.5
209.04550	100.0
210.04915	4.5
221.04558	6.6
233.04637	1.5
239.05617	74.6
240.05942	4.7
251.05635	7.0
261.75519	1.2
269.06677	31.6
270.06821	1.4
277.03580	1.9
281.06726	2.7
311.07751	7.6
329.08817	19.0
330.09375	1.1
341.08820	5.6
359.09854	5.4
371.07733	43.2
371.12482	2.2
372.08078	4.3
383.07770	3.2
401.08829	35.8
402.09125	2.5
431.09799	8.5
449.12967	9.8
450.13730	1.5
473.10721	7.1
491.11975	19.9
492.12271	3.3
503.11804	2.8
521.13055	4.0
593.15277	2.3
611.15771	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	611.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98819	2.2
62.69835	2.0
69.02097	2.0
69.13541	4.6
69.13947	13.1
75.22837	1.8
77.97413	2.2
81.38245	1.9
85.00434	7.0
98.22534	4.2
103.01500	70.7
103.92036	3.7
106.57803	1.9
122.89448	3.1
148.64090	1.9
148.90964	2.2
148.95541	1.7
150.90834	2.1
207.10254	4.8
225.11342	2.9
329.23523	3.7
349.84998	2.0
574.16571	3.3
575.16565	9.1
576.15674	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	615.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80226	1.3
56.05809	1.1
59.01097	1.7
59.01383	33.8
71.01386	19.5
71.29003	1.4
71.29385	2.0
72.69190	1.1
72.99317	2.8
73.37062	1.1
83.01421	1.0
85.02933	3.1
89.02449	28.4
89.66319	1.2
90.24084	1.1
101.02439	15.5
113.02429	7.7
119.03498	11.2
143.03537	1.2
153.79010	1.0
179.05669	1.4
218.77063	1.1
274.09283	4.4
291.07205	1.6
303.81540	1.1
323.13477	100.0
324.13910	6.2
418.53354	1.6
499.16177	1.3
587.66376	1.6
612.84326	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	616.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25337	0.6
54.39460	0.7
61.66216	0.7
61.98836	100.0
70.83881	1.0
77.85954	0.7
78.95911	3.0
80.53233	0.6
91.60349	0.7
152.99641	3.7
179.10904	0.9
197.11884	1.3
204.61562	0.7
207.10136	0.9
225.11320	1.1
255.23332	6.0
315.14722	1.0
349.79953	0.6
360.65356	0.6
361.10785	2.4
391.22629	2.1
409.23871	0.7
500.95538	0.7
553.37463	11.5
553.45673	0.7
554.37885	1.5
612.44019	0.6
617.34894	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	617.0048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01721	1.1
61.98829	3.7
68.03017	0.8
69.16560	1.5
69.16967	5.3
70.11761	0.8
89.79917	1.1
90.97128	1.1
98.22488	1.2
115.02529	5.6
117.00491	6.0
132.98238	5.0
157.03590	1.6
159.01503	54.6
160.01686	4.3
161.01245	2.0
169.93251	0.9
174.99263	32.0
187.00989	4.2
188.00952	1.3
189.00706	4.5
189.98367	1.2
192.95872	3.5
201.02560	14.3
202.02803	2.2
203.02443	1.2
217.00316	75.1
218.00606	1.7
218.98337	1.2
248.95946	1.4
259.01584	1.2
263.14920	0.9
274.99445	5.0
290.97211	3.5
298.99548	1.1
301.02667	21.2
302.02859	3.0
317.00400	55.5
318.00528	3.7
330.02255	1.1
331.02039	2.5
332.02008	1.0
332.98181	20.8
333.01855	1.5
333.98679	1.3
348.96057	1.7
359.01538	4.3
374.99210	26.5
375.99680	1.2
388.99503	1.4
432.98508	1.4
459.01819	4.0
460.01953	1.3
474.99429	22.1
475.99799	2.1
490.97531	0.9
514.98157	1.0
556.98413	32.9
557.98773	4.2
630.69385	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13175	1.3
52.64583	1.1
59.01384	15.3
61.98833	66.1
68.99554	1.9
71.01393	9.5
71.05012	1.7
71.31511	1.6
72.27132	1.3
72.89322	1.2
77.41775	1.2
79.68972	1.3
85.02946	4.6
89.02448	6.3
92.48572	1.2
94.02998	1.9
101.02460	4.1
103.92700	1.2
113.02449	5.8
119.03531	3.3
121.05321	1.5
124.07700	1.6
129.01926	1.4
133.02957	3.4
134.03754	4.3
134.06113	5.2
135.04532	2.0
136.07693	30.1
137.06081	1.6
138.09305	2.3
145.06316	1.5
145.07628	1.2
150.05684	1.4
161.02443	3.3
161.04649	2.0
161.07233	2.0
162.05624	10.4
171.10248	1.9
173.10864	6.8
174.48541	1.3
177.06728	4.2
179.03520	1.8
184.73944	1.3
185.10828	5.8
190.08626	1.2
197.10832	13.5
199.08760	14.0
201.11360	2.1
213.06709	2.0
213.14011	23.0
214.14334	3.1
215.08330	10.0
221.04294	1.5
221.10844	1.4
223.08821	1.8
227.03419	1.9
237.10310	1.8
238.11188	1.8
239.11914	100.0
240.09354	1.2
240.12238	6.8
241.09906	1.4
251.10730	1.4
252.11359	1.5
252.31299	1.5
253.09070	1.4
255.11552	1.4
255.13930	5.0
265.17081	1.7
268.08508	3.7
275.09259	1.3
281.15765	1.3
282.08972	1.8
283.10361	1.3
283.13382	3.9
291.13727	2.3
307.17047	2.2
308.17679	24.3
309.18015	2.3
311.12958	3.1
318.12582	4.2
319.18057	3.9
320.17529	7.5
321.18015	1.9
325.14517	1.8
333.14893	5.8
336.20914	9.5
341.08560	1.8
344.17722	2.8
345.14713	2.1
353.13913	16.9
360.17242	7.3
362.18741	97.1
363.19260	9.1
376.16910	3.4
380.19797	57.5
381.20163	6.8
392.19952	6.8
406.17740	41.2
407.18134	3.5
410.20862	14.9
411.21323	1.5
424.18774	78.9
425.19278	6.9
436.18716	13.3
437.19284	1.8
442.14648	1.3
454.19907	14.4
455.20087	2.6
530.23029	1.5
543.26166	18.5
544.26080	1.9
573.22723	9.0
587.25122	29.9
588.25427	4.6
617.25842	22.5
618.26251	3.0
618.35052	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	617.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.0
58.00597	1.8
59.01384	18.9
61.98840	36.7
68.99828	11.6
69.21016	5.7
69.21447	5.8
71.01395	22.9
73.02944	2.1
75.85450	1.4
78.91891	3.2
82.03014	3.1
82.95429	2.1
83.01396	3.3
83.05035	2.8
84.34438	1.6
85.02962	9.0
89.02438	1.9
97.02943	1.5
101.02473	5.8
101.06101	2.1
113.02466	8.0
132.82861	1.5
133.02954	7.9
135.04547	2.7
135.08128	1.8
137.02463	1.6
139.04056	1.7
148.04099	9.5
149.04822	4.3
150.05612	12.6
151.00401	2.7
154.05165	2.2
161.02457	4.8
161.04723	5.3
162.05627	3.3
163.02824	1.8
164.03575	3.4
171.10303	21.7
173.03583	5.9
174.04355	14.8
175.05119	2.7
175.06418	3.7
177.01994	1.8
178.99904	1.9
183.04558	6.0
185.06067	1.8
186.06927	1.9
187.07726	2.4
189.06735	3.6
190.07495	17.3
191.03555	2.4
191.05798	1.7
196.05377	2.3
197.06187	7.2
199.04117	3.0
199.07687	2.9
202.07437	2.0
207.10359	3.8
209.06204	2.1
209.11844	13.4
211.04019	9.8
211.07654	4.2
212.04628	3.0
215.07085	3.2
217.09883	1.7
218.10435	1.7
223.03996	1.7
224.04819	4.5
225.05537	10.9
225.09227	4.8
225.11267	1.9
226.02827	2.0
226.06436	2.5
226.10101	2.9
227.03479	2.4
227.07219	3.1
227.10840	3.0
227.12910	4.7
229.08743	3.3
231.07751	7.5
232.08543	20.1
233.09216	2.1
237.05588	4.3
238.06380	1.7
239.03477	5.0
239.07213	7.7
243.07861	2.2
244.08557	5.9
249.05788	1.8
251.07011	2.5
251.10895	4.3
252.07912	12.5
253.05078	6.3
253.08794	18.8
253.12415	1.8
254.09383	2.9
255.13879	16.3
257.08276	2.0
267.10324	3.5
268.11069	7.6
281.04587	3.6
281.08582	1.8
281.11908	3.7
281.15515	5.6
282.09180	1.9
283.10336	3.1
283.13367	15.1
285.08771	2.0
286.09668	2.7
289.09607	2.0
296.10605	5.5
297.14923	2.7
299.13770	6.1
304.10547	2.7
307.13287	2.3
309.15054	4.2
311.12927	14.1
324.10016	3.9
324.13574	3.2
325.14438	12.2
327.16135	3.2
333.12015	2.2
335.12985	2.1
353.13989	69.5
354.14429	4.4
371.15128	3.3
382.17709	19.9
383.18222	1.8
394.17804	3.7
401.70477	1.7
409.13141	2.1
412.19202	3.3
432.15457	1.7
436.18927	11.9
437.17599	4.5
438.11661	2.0
449.15720	1.9
452.09918	2.0
454.19897	57.7
455.20020	5.6
467.17191	3.8
477.16699	2.8
501.14276	2.2
521.15582	5.0
527.17780	1.8
545.23956	14.5
546.24231	4.2
573.23273	13.0
589.26587	5.1
599.25171	10.1
608.20813	1.5
617.26129	100.0
618.26593	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	617.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.6
60.69036	0.9
61.98817	1.3
68.99808	1.3
69.03404	9.3
71.01367	3.5
82.02991	5.2
82.95410	1.0
86.42375	0.8
88.83746	0.8
101.02481	1.0
108.04568	1.5
112.04091	1.7
113.02451	1.3
117.03344	0.7
119.43032	0.8
120.04527	3.0
133.02943	2.7
135.03146	0.8
136.07658	2.4
139.02757	1.1
147.03323	1.4
148.04056	19.1
149.04842	10.3
150.05623	21.4
150.09227	3.2
151.05951	1.1
154.05057	2.5
158.06277	1.0
160.04048	2.2
161.02463	1.4
161.04851	6.2
162.05600	2.8
163.02765	1.7
164.03564	6.7
171.10252	2.1
173.03548	6.8
173.04820	1.4
174.04347	27.5
174.05598	1.6
175.05122	6.9
175.06328	5.0
176.10820	0.9
177.01947	1.2
177.06668	1.0
186.05588	2.0
187.06367	3.2
188.07237	2.0
189.06703	12.0
190.05098	1.6
190.07484	30.6
191.08218	3.3
197.06090	1.2
199.07605	1.4
200.07147	2.4
201.07927	3.3
202.07196	5.3
203.06088	1.2
203.08110	1.7
213.06667	1.2
213.10434	1.5
214.11127	3.9
215.08296	1.6
216.06772	1.2
217.07463	2.5
217.09637	1.9
219.11342	1.5
224.07051	1.2
225.05540	1.5
227.09523	1.0
228.06654	1.9
231.07742	14.0
232.08528	38.8
233.09193	6.1
234.07524	1.1
241.09799	2.3
242.08249	3.7
242.10597	2.1
243.07741	3.8
243.11327	1.0
244.08197	10.0
245.06940	1.8
245.09308	5.1
253.08730	2.6
255.13863	2.0
259.10941	2.6
262.09610	3.5
267.07794	1.3
268.08508	2.1
283.13364	1.7
285.08743	4.4
286.07294	0.9
286.09680	7.0
287.10443	1.5
289.09497	3.9
296.10553	1.1
299.13977	12.6
299.16965	1.5
303.09894	2.9
304.10687	5.6
311.12924	2.2
318.12418	1.2
324.13651	5.8
335.12766	1.0
337.10657	1.9
340.16504	1.3
353.13904	7.6
382.17731	36.5
383.17938	3.1
393.18213	2.6
394.17755	8.5
395.16138	2.7
412.18839	3.5
418.17770	2.6
419.26511	3.8
436.18796	20.5
436.24478	0.7
437.17337	7.3
449.15942	2.3
452.09573	1.7
454.19867	100.0
455.20093	10.4
467.17053	8.1
520.19617	1.4
545.23901	6.1
573.23193	1.9
599.24872	5.5
617.26099	30.0
618.26575	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	617.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48505	4.2
59.01382	100.0
64.03021	4.0
64.37575	4.6
73.33490	4.0
75.00852	11.0
78.95889	13.8
103.00428	8.3
103.01508	88.9
112.44275	3.9
125.00360	4.9
138.82080	4.1
142.66092	5.2
407.14948	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	617.346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73220	1.7
62.12004	1.8
69.35350	4.8
69.35770	8.6
78.95908	100.0
94.35136	1.7
96.96955	7.8
101.27084	1.8
108.64523	1.8
109.06614	7.5
134.98566	1.9
152.99599	47.0
207.10245	8.9
225.11317	7.8
255.23314	51.0
256.23804	2.9
273.33817	1.8
301.03006	2.0
338.35596	1.7
361.10580	9.2
391.22598	23.2
392.22513	2.7
409.23563	10.4
506.43771	2.1
578.22638	2.2
617.34528	24.3
618.34509	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	617.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.4
59.01369	9.5
69.03460	15.6
71.01401	3.2
78.95907	8.2
81.03442	3.4
83.05029	6.0
90.86995	2.4
95.05050	2.8
97.02953	2.9
103.08559	2.5
109.06597	9.5
113.09763	4.9
118.94873	2.7
125.09736	6.1
151.11287	7.9
161.09723	13.7
163.11295	4.7
179.10786	42.1
196.44337	3.1
197.11842	95.9
198.12085	5.4
207.10249	23.8
207.76506	2.7
219.13918	7.5
223.09816	6.3
225.11311	14.7
241.10843	17.5
255.23415	4.8
257.22791	5.0
257.62601	2.8
281.13855	5.6
297.13547	12.7
301.21704	6.8
315.14420	27.0
317.21033	2.6
319.22787	12.4
330.97284	2.8
335.22305	10.0
382.40125	2.8
599.35907	5.0
617.36951	100.0
618.37415	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	619.167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	33.0
61.98834	44.5
69.44156	19.2
71.01390	22.2
73.02928	5.7
82.95425	9.8
84.95132	5.3
85.02968	11.5
88.98809	5.2
89.02471	15.9
93.03431	6.2
93.05813	3.8
95.01382	3.8
96.96040	6.3
101.02457	12.9
109.02943	4.6
113.02458	28.3
113.85465	3.4
119.05040	6.5
121.02995	11.5
122.06138	14.2
133.03023	4.0
134.06104	5.7
135.04590	4.5
136.07674	9.5
145.02995	8.2
145.06226	3.6
147.04547	5.4
148.04070	3.9
148.05365	5.1
161.02454	4.6
161.04646	4.8
168.85350	3.7
173.07205	4.8
175.08868	3.4
177.02066	3.6
179.03587	4.2
191.03487	7.6
191.05606	5.5
191.07190	6.4
203.08200	16.6
206.44453	3.8
211.07686	4.7
215.08218	14.5
229.06213	55.2
229.13371	3.9
237.88289	3.2
238.04579	5.2
239.07176	7.9
241.09720	20.1
247.07281	17.1
251.07156	14.2
255.11523	7.8
263.07199	4.9
264.07581	4.3
266.05856	11.4
267.06570	24.4
278.05737	4.4
279.06601	19.5
281.08139	7.2
282.09030	13.2
294.05365	16.7
294.08832	6.5
297.11282	7.5
303.09607	3.7
303.21567	4.4
309.07721	27.0
310.08334	5.6
320.13876	5.9
322.08575	5.0
323.05710	12.4
326.08026	11.0
327.08588	9.4
327.12308	5.3
338.08023	37.6
341.10330	79.4
353.10312	100.0
354.10822	9.4
364.16522	5.2
371.11368	77.2
372.11890	9.5
389.18420	3.8
394.17743	13.6
395.16205	10.8
406.17767	3.9
410.13718	21.1
412.18961	7.9
438.16675	9.4
456.17892	17.1
466.16251	6.2
533.17035	4.1
575.17450	20.8
575.25201	10.9
619.24768	28.0
619.35229	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	619.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	27.6
59.57581	3.0
61.98833	69.8
65.01915	3.1
66.29396	3.3
69.35846	17.2
69.36260	8.1
71.01378	13.5
73.02932	4.2
73.40750	3.1
73.78643	3.7
78.95905	5.0
80.99261	3.9
82.95424	11.2
84.95118	14.2
85.02944	9.7
85.42657	3.5
88.98817	9.9
89.02449	11.6
93.03436	4.2
96.96007	15.3
101.02435	13.1
113.02445	20.1
115.71346	3.2
119.03548	5.9
119.05050	8.0
121.02934	10.9
122.06140	8.4
125.70618	3.8
134.06090	4.0
135.03017	3.5
136.07715	10.6
137.02455	6.3
145.02989	6.5
147.04536	7.3
148.04044	4.2
148.05341	8.7
150.05571	5.2
152.99687	4.2
161.02528	5.4
161.04616	3.7
163.04076	4.2
174.04532	4.4
175.08861	4.3
176.04883	4.9
187.07646	5.3
191.03548	6.7
191.05571	6.0
191.07158	9.7
201.06721	5.1
201.35493	3.4
203.08240	18.8
215.08299	9.6
220.03830	4.7
221.06088	4.5
223.07666	7.1
227.13007	4.2
229.06204	42.6
230.06619	3.9
237.05638	4.6
239.07135	8.7
241.09822	13.2
247.07317	22.6
251.07137	14.8
255.11308	11.3
257.08334	4.8
263.07281	7.5
264.07809	4.0
265.04935	3.5
266.05804	5.0
267.06668	24.4
279.06647	22.9
281.08212	9.2
282.09055	12.3
285.04065	8.7
293.87296	3.8
294.05368	20.9
294.08762	8.4
295.06076	10.7
297.11435	3.8
303.09689	4.2
309.07697	22.6
310.08365	6.6
315.39572	3.9
322.08539	6.3
323.05621	15.6
326.08066	11.6
338.08011	32.5
339.08163	5.3
341.10342	80.2
342.10840	7.1
353.10272	100.0
354.10751	12.7
367.47925	3.7
371.11331	72.0
372.11575	5.1
394.17700	10.4
395.16196	13.4
406.17862	9.5
406.63046	4.7
410.13681	18.0
412.18979	8.3
438.16562	8.5
456.17786	14.2
481.20883	3.6
575.17664	17.9
575.25342	8.7
589.26288	5.3
619.24060	28.7
619.34717	8.2
620.23303	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	619.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73660	0.4
59.01387	2.3
61.98831	6.9
65.00339	0.5
69.18109	3.6
71.00988	0.5
71.01373	1.3
71.54399	0.4
83.01380	0.6
85.02950	0.5
86.70739	0.5
89.02440	0.8
93.03484	1.4
96.96030	0.4
101.02440	0.7
107.01356	1.0
113.02425	1.0
117.03451	1.4
121.02916	0.5
122.06147	0.8
136.01677	0.8
136.07671	0.7
143.05081	0.5
145.03030	0.5
151.00362	1.5
154.04269	1.2
159.04536	1.2
163.00369	0.9
165.01881	0.6
167.05112	0.4
169.06607	2.5
173.02464	0.8
183.04535	2.6
185.02495	0.5
185.06068	1.9
187.03969	1.5
188.07245	0.5
189.05568	1.2
198.03304	0.5
199.03943	0.8
199.89406	0.4
203.08321	0.8
205.06305	0.8
211.04012	2.8
213.05615	3.2
214.02747	1.1
215.03479	1.5
217.05064	0.4
226.02884	0.6
227.03520	5.7
229.05035	1.7
239.03421	1.0
241.05074	1.2
243.02962	1.0
244.08534	1.0
245.09186	0.5
255.03001	41.0
256.03439	2.4
257.04639	3.0
264.75790	0.5
267.03259	0.5
283.02496	79.7
284.03040	7.7
285.04062	100.0
286.04419	5.7
341.14493	0.5
379.77658	0.5
384.15552	2.0
430.09039	17.3
431.09833	56.4
432.10117	5.3
438.16415	0.6
456.17804	6.6
473.10913	4.0
618.34210	1.1
619.16644	44.0
619.34576	1.9
620.16907	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	619.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.1
57.03444	1.8
58.00595	3.0
59.01383	64.5
60.10953	0.8
61.62791	0.7
69.11374	7.3
71.01385	51.7
72.01724	0.8
72.99313	2.7
73.02945	4.9
83.01393	3.3
83.02478	0.8
85.02956	13.0
87.00896	2.3
88.10738	0.8
89.02451	57.2
92.92754	0.9
95.01424	3.4
97.02938	3.9
98.21787	1.3
99.00889	2.6
101.02451	30.0
101.03119	1.7
111.00909	1.5
113.02458	28.7
115.04025	8.6
119.03503	24.2
119.04340	1.3
129.01962	1.8
131.03525	2.5
139.18254	0.8
143.03491	3.8
149.04544	1.7
159.03008	1.6
161.04582	9.4
168.00560	0.7
179.05608	12.4
188.92882	1.5
232.37683	0.9
233.10274	5.5
276.94357	1.6
277.09302	100.0
278.09641	5.5
291.07239	1.4
335.33060	0.8
341.10904	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	619.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79284	1.1
55.01878	4.4
58.00597	2.8
59.01086	2.7
59.01384	51.7
69.17378	4.7
69.17801	6.3
69.54533	1.1
71.01389	77.2
71.05009	1.6
72.01752	1.4
72.93700	1.1
72.99319	3.5
73.02953	16.6
75.00841	1.1
78.51759	1.2
83.01399	7.0
85.02957	28.0
87.00890	4.4
89.02454	44.1
95.01385	5.8
97.02984	2.7
99.00887	7.3
101.02457	44.9
111.91982	1.1
113.01726	2.3
113.02468	31.2
114.02805	1.7
115.04027	31.1
119.03506	16.4
131.03548	1.6
141.83095	1.3
143.03510	3.9
146.94481	1.4
149.04514	1.9
159.02994	4.9
159.52998	1.3
161.04570	26.0
179.05635	18.9
193.05080	2.0
233.10335	14.1
277.09308	100.0
278.09689	5.2
341.10919	64.8
341.15189	2.6
342.11234	3.4
391.43018	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.225
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	2.6
59.01381	48.4
60.91570	2.1
70.47747	5.2
71.01385	34.7
72.99330	3.1
82.55855	1.8
85.02959	4.4
87.00883	2.4
89.02455	34.7
93.67198	1.9
95.01422	3.2
96.96016	3.4
101.02454	17.7
103.90440	2.0
113.02467	14.0
119.03527	16.5
119.05021	7.7
137.97086	2.1
163.04008	7.6
179.05663	2.7
218.99826	2.1
224.24773	2.1
293.12448	100.0
294.12772	6.0
456.99438	2.3
546.03027	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	619.224
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80844	2.2
56.35350	1.9
59.01381	25.3
68.74970	1.9
68.94146	1.9
71.01389	18.0
71.23986	1.7
71.31089	2.1
78.95896	1.9
85.02958	6.4
85.06594	7.7
89.02445	23.8
95.01378	2.4
96.95956	3.3
101.02447	15.6
103.92032	1.8
113.02448	11.1
113.06147	2.2
119.03523	8.0
119.05029	4.3
127.61959	1.7
131.07141	35.3
135.04517	3.3
151.16402	1.7
163.04024	3.9
179.05638	3.2
191.05597	2.3
287.26611	1.9
293.12451	100.0
294.12842	5.6
305.12457	9.9
306.12643	9.3
314.28833	1.9
323.13458	2.3
324.13702	1.8
325.09540	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	619.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01228	1.4
59.01381	7.4
71.01376	4.2
71.05762	2.1
73.02947	2.7
74.27969	1.3
82.03020	2.0
83.05039	2.3
85.02972	1.4
89.02465	3.4
96.96001	1.4
101.02448	3.3
108.04536	1.8
110.06139	11.0
110.89709	1.3
113.02407	3.2
119.05050	2.2
120.04568	2.8
122.06126	4.5
124.07682	1.9
134.06104	2.7
136.07706	39.4
148.04025	13.3
149.03679	1.5
149.04869	3.6
150.05609	11.0
154.08751	1.8
160.04086	3.8
161.04839	6.9
161.07164	2.8
162.05577	3.0
162.32690	1.4
171.08240	1.6
172.05228	2.5
173.03574	5.6
173.06041	4.8
174.04504	10.3
174.05545	10.5
175.05132	4.5
176.05931	4.4
177.06706	15.0
179.08263	21.2
184.05348	1.9
188.07219	4.4
189.06706	14.0
198.07065	6.9
199.07748	10.5
200.07193	2.8
210.05579	2.1
211.07657	1.7
212.07207	7.1
214.08730	6.2
215.08203	2.9
216.09048	4.5
217.09795	7.6
223.18747	1.4
224.07256	1.7
227.05876	3.9
228.10281	3.0
237.07889	2.0
239.05826	1.9
240.06744	3.7
241.07559	13.1
242.08301	20.5
243.08560	2.0
244.09602	2.0
252.06792	2.3
254.08199	13.3
257.09311	4.0
258.10049	6.7
259.10818	7.5
269.09210	1.5
273.12366	2.3
285.08798	2.1
303.13568	4.3
304.13391	2.4
328.13007	5.0
329.13940	2.8
353.15051	2.4
356.12775	1.9
365.15048	5.0
370.17667	5.9
370.21939	1.7
377.15070	3.1
395.16150	96.4
396.16461	10.0
397.17303	2.7
412.18845	32.0
413.18985	3.0
438.16766	5.2
452.17715	1.6
491.19333	3.9
492.20071	18.8
493.20081	2.3
532.24646	1.6
533.24994	1.6
575.25177	100.0
576.25427	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	619.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19035	0.4
58.02966	0.9
59.01353	1.9
61.98843	3.8
66.03472	1.0
71.01349	1.3
71.29386	0.7
81.03462	0.5
82.02954	1.7
82.83231	0.5
83.05008	0.7
85.02921	1.6
89.02431	1.0
93.03443	1.7
94.37202	0.4
96.04544	0.5
96.96002	0.8
101.02399	1.2
107.03799	0.5
108.04569	3.2
110.05417	0.6
110.06125	8.3
112.04031	0.5
113.02475	1.0
119.04955	0.9
120.04571	5.2
121.05284	0.9
121.06537	0.5
122.06133	4.8
124.07710	3.1
131.05038	0.5
131.89293	0.5
134.06165	3.6
134.07024	0.8
135.03244	0.5
135.04559	0.6
136.07695	36.2
137.08028	1.1
138.05539	0.6
143.05022	0.7
145.02945	0.6
145.04160	0.5
145.06447	0.9
146.04874	0.7
147.03209	1.7
147.04437	0.6
147.05624	0.9
148.02960	1.0
148.04070	17.3
149.03760	0.4
149.04877	3.4
150.04439	0.8
150.05618	14.3
150.09135	0.6
151.06009	0.6
154.08705	1.8
159.05647	1.2
160.04076	3.0
160.07668	0.7
161.04834	4.8
161.07162	1.9
162.05624	4.3
164.03510	0.9
164.07127	1.0
171.04504	4.2
171.08113	2.6
172.05312	4.1
172.07684	1.3
173.03615	7.6
173.04848	0.8
173.06053	9.0
174.04295	13.0
174.05640	4.6
175.05119	4.6
175.06401	0.8
176.05878	4.1
176.07176	1.2
177.06708	9.6
179.08270	19.3
180.08519	0.9
184.05287	2.4
184.07738	0.7
186.05606	1.3
186.09225	0.7
187.05067	1.2
188.05661	0.6
188.07155	2.9
189.05238	0.7
189.06720	8.9
189.10333	0.5
190.05109	0.5
190.08705	0.6
191.05606	1.2
191.08264	0.6
197.06070	1.1
198.06975	14.0
199.07713	18.5
200.07135	3.7
201.06503	0.5
203.04491	0.6
210.05522	1.0
211.07678	1.7
212.07127	6.6
213.07751	0.8
213.09535	0.6
214.05075	1.7
214.08737	5.5
215.08232	6.7
216.06546	0.9
216.08719	4.8
217.09830	11.2
223.13400	1.0
224.07248	1.2
225.05498	1.3
226.04982	0.6
226.08644	0.5
227.05804	2.9
228.10201	1.7
229.06163	1.0
229.09717	0.9
231.11409	0.8
232.09645	0.6
236.07184	1.7
237.07938	2.2
238.08649	1.5
239.05811	1.7
239.08153	0.7
239.10777	1.3
240.06702	3.9
241.07384	10.0
241.09811	3.0
242.08269	20.9
243.08221	2.3
244.08430	0.5
244.09904	0.9
252.06682	2.0
253.09872	0.7
254.08241	11.6
255.08795	2.3
255.11278	0.8
256.09689	1.3
257.09464	3.8
258.10086	7.5
259.10886	9.0
265.08627	2.3
273.12546	2.9
281.09265	0.7
283.10077	0.7
285.08774	2.1
285.12030	0.6
289.11209	0.7
293.09039	0.5
295.10526	0.9
298.12057	1.4
299.10376	0.8
301.11749	0.5
303.13452	6.3
304.13519	1.4
309.07779	0.6
321.16177	0.6
322.14102	0.9
323.13943	0.8
327.08780	1.2
328.13034	10.2
329.13852	1.8
330.14673	1.0
334.14554	1.0
336.14667	0.5
337.15585	0.6
351.08850	0.6
353.15179	2.9
356.12512	2.0
365.15131	8.1
366.14935	1.0
367.16782	1.1
370.17719	7.2
377.14786	1.1
382.17639	1.3
385.17657	0.5
394.17560	1.5
395.16135	93.6
396.16501	10.8
397.17535	2.1
408.15768	0.7
412.18811	44.9
413.19131	5.2
420.15656	0.6
422.17038	0.9
429.11932	0.9
438.16702	5.3
439.17206	0.9
440.18185	0.9
452.18497	0.8
456.17850	1.7
489.13852	4.3
490.14478	0.7
491.19391	2.2
492.20218	14.5
493.20325	1.8
503.21420	1.2
532.24396	1.1
533.23950	2.7
534.24237	0.7
557.23932	1.7
575.25153	100.0
576.25391	13.6
587.18036	0.8
619.24414	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	619.2568
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
98.21732	8.6
102.82300	4.1
112.62817	3.7
129.05371	3.6
338.46332	4.4
356.95480	3.7
416.16525	8.9
459.18335	100.0
460.18576	15.2
473.20099	13.1
474.20370	9.8
518.19574	51.5
519.20135	6.9
525.00977	3.7
532.21246	5.7
533.21960	76.5
534.22418	11.5
600.90637	3.9
619.25757	64.0
620.25867	11.9
632.32855	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	621.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.9
58.00593	1.7
59.01386	40.9
70.67473	0.7
70.67778	1.0
71.01391	25.2
71.05009	1.6
72.99303	1.5
73.02972	0.6
76.67640	0.6
83.01391	1.3
85.02966	6.0
87.00884	2.2
89.02453	35.9
95.01412	1.6
99.04533	0.8
101.02463	16.0
113.02464	22.6
117.05587	9.0
117.62304	0.6
119.03519	16.2
131.03484	1.5
143.03517	1.9
149.04549	0.9
161.04553	1.5
167.03546	1.8
179.05629	10.2
180.06169	0.6
190.13548	0.6
207.65523	0.6
275.07791	2.8
279.10876	100.0
280.11218	5.7
282.52258	0.6
290.30026	0.6
341.10953	6.9
358.16132	0.6
565.21490	0.7
621.18036	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	621.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38579	0.6
58.00592	0.9
59.01380	17.7
66.52699	0.5
67.15946	0.5
70.43961	1.4
71.01385	10.8
71.05006	3.2
72.99316	1.2
73.02943	0.7
77.72745	0.5
78.27990	0.5
81.03466	0.8
83.01414	1.4
85.02952	4.9
87.00900	0.8
89.02446	14.2
95.01391	0.7
99.00831	0.5
99.04528	2.3
101.02448	6.7
101.06112	0.8
111.00877	3.2
113.02451	6.2
117.05585	31.7
118.05945	0.7
119.03513	6.1
124.57614	0.5
127.04028	1.4
129.01942	2.8
143.03511	0.9
161.04518	0.8
179.05583	1.3
237.58760	0.6
277.09439	0.6
279.10855	100.0
280.11255	4.5
291.07217	5.7
329.02667	1.3
330.11819	0.8
341.10910	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	621.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.8
59.01393	6.6
60.40592	0.8
61.98833	3.8
66.31169	1.0
71.01402	4.7
71.29218	1.4
73.02961	1.1
80.05614	0.9
85.02940	2.1
87.00899	2.2
89.02448	2.0
97.02971	1.6
101.02457	2.7
109.02957	2.5
110.02528	1.3
113.02468	7.0
119.03549	1.1
122.03768	1.3
122.06163	5.9
133.02963	5.2
134.03767	3.7
134.06143	4.4
135.04599	1.3
136.01689	13.4
136.07739	6.6
137.02481	12.6
149.10875	3.5
152.07204	18.8
157.07800	1.5
161.02460	2.6
161.04631	1.7
162.05666	1.9
173.07228	5.0
175.08788	15.1
177.01933	3.2
178.02734	2.1
179.03607	1.0
188.78613	1.0
189.06770	1.5
190.08904	1.7
190.11060	1.1
201.10406	1.2
205.13487	24.4
206.13800	1.9
213.10468	2.0
220.03839	1.4
229.09850	4.2
231.11420	100.0
232.11774	6.5
233.08179	2.0
243.11330	2.6
275.09259	3.9
293.10281	6.6
335.11636	1.7
368.19794	1.7
370.21622	1.5
373.26016	1.6
389.74643	1.0
395.13596	1.7
396.19324	88.7
397.19702	11.3
413.21780	1.4
414.20395	34.0
415.20581	3.7
437.14474	5.5
440.18472	1.7
455.15961	2.0
577.26050	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	621.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.9
59.01124	0.9
59.01385	9.5
61.98833	5.7
69.03446	1.1
69.07873	6.2
71.01391	7.2
71.05009	1.0
72.99354	0.9
73.02934	3.7
82.95423	1.7
83.01397	1.0
85.02956	3.4
87.00857	2.2
89.02438	3.8
94.77340	0.9
95.01423	0.8
96.96022	1.2
98.21801	1.6
101.02467	5.3
108.02158	1.2
109.02955	3.2
111.08094	1.1
111.63838	0.8
113.02465	5.7
115.61189	0.7
121.03002	1.0
125.02416	0.8
125.09739	2.8
127.11340	1.7
131.03545	0.9
133.02953	3.3
134.03813	4.7
135.04562	1.7
136.01677	14.3
137.02481	15.2
137.09752	1.0
138.02797	1.5
145.02867	1.1
151.04034	1.7
155.10777	2.2
161.02345	1.5
161.04527	1.7
163.03940	1.2
171.10280	6.7
177.01933	3.3
179.03548	1.3
191.05698	1.0
217.14343	1.0
220.03714	1.1
223.13365	7.3
229.14445	2.5
231.10249	1.0
233.08099	2.9
238.04678	1.0
275.09201	3.9
282.09116	0.9
293.10394	8.4
297.11407	2.8
309.11496	1.2
335.11426	2.9
337.23984	1.5
355.24835	3.6
365.12476	1.9
373.25992	100.0
374.26367	7.7
377.12442	1.1
387.27600	1.0
395.13434	3.4
397.13599	3.1
415.14572	2.4
415.27145	1.3
437.14487	3.3
455.15536	2.5
577.32166	4.9
621.25146	1.5
621.34784	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70146	0.4
53.06606	0.5
55.01878	0.5
55.82003	0.4
59.01382	3.7
59.61575	0.4
62.63060	0.5
65.03965	1.5
67.01517	0.3
67.01884	2.0
67.09438	0.5
69.03471	0.6
69.11798	0.8
69.12202	3.0
71.01402	2.5
72.99323	0.6
80.03613	0.4
81.03461	1.8
83.01430	0.6
83.05033	2.5
85.02958	3.6
87.00884	9.6
89.02458	2.7
93.03468	21.5
94.03775	0.6
95.01405	0.6
97.02961	0.6
99.00865	0.8
99.04525	0.7
101.02449	1.5
109.02962	1.8
110.03772	3.3
111.00894	33.5
111.03841	0.5
111.04544	6.3
112.01242	1.2
113.02471	2.2
119.03540	0.9
127.04005	1.4
129.01971	3.4
132.45160	0.4
137.02460	14.5
142.97575	0.6
155.03526	3.6
161.04707	0.7
164.70210	0.4
174.97983	1.3
175.83562	0.4
176.99615	1.8
179.05608	1.1
180.99129	0.6
192.99055	1.9
211.00331	0.6
220.64845	0.4
233.22777	0.4
276.93344	0.5
279.10846	0.5
281.00711	100.0
282.01083	5.3
291.07217	5.4
292.07730	0.5
319.96002	0.5
327.03314	0.4
329.02942	0.7
335.67102	0.5
341.01682	1.0
345.80698	0.4
443.05725	1.0
471.88440	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01414	2.2
59.01384	16.6
61.98842	15.7
71.01363	12.0
80.96522	3.6
83.01447	2.6
85.02973	5.2
87.00870	4.0
88.90223	2.3
88.98807	5.7
89.02473	7.3
93.03475	3.1
101.02454	5.4
107.01389	5.0
113.02453	9.9
119.05043	3.0
132.02170	4.3
133.02966	11.2
134.03723	3.7
135.00893	2.7
135.04509	7.2
137.02406	3.8
145.02992	2.6
151.00349	3.8
160.01682	5.3
161.02504	15.0
163.03981	3.1
174.03287	3.0
175.04042	4.7
177.01920	5.9
179.03464	9.1
185.06128	3.1
187.03983	4.9
189.05371	2.7
207.10132	3.1
211.04037	5.8
213.05482	3.4
225.11304	2.8
227.03540	44.4
228.04001	4.0
229.05122	11.5
239.11891	2.8
241.04863	3.1
242.05678	2.5
255.03006	86.8
255.05745	5.0
256.03656	14.5
257.04462	8.3
258.21198	2.7
275.09271	4.1
283.02448	3.4
284.03281	78.0
285.04062	100.0
286.04449	7.6
299.05591	10.9
323.07831	15.9
337.09454	3.5
367.58612	2.5
367.95139	3.0
440.12790	5.0
447.09201	5.3
547.56903	2.5
579.33862	10.3
605.22241	2.6
623.13977	70.5
623.26135	19.2
624.14282	9.6
624.24609	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.5
61.98814	2.9
63.02377	1.5
65.00316	1.6
69.08423	6.9
83.01387	1.5
85.02937	1.3
89.02432	0.7
92.87905	0.6
93.03474	1.5
94.85289	0.6
101.02430	2.2
101.50122	0.7
107.01400	4.3
109.02947	2.3
113.02420	1.8
117.03460	1.4
119.05044	1.6
132.02184	4.6
133.02957	3.1
134.03734	4.6
135.00890	2.1
135.04536	4.2
136.01662	1.4
137.02429	2.5
143.05034	1.9
145.02963	2.6
147.04558	1.1
149.06178	0.8
151.00375	7.4
157.06587	1.0
159.04500	2.2
159.96982	0.7
160.01656	6.5
161.02444	9.4
162.02687	0.8
163.00365	4.4
164.01241	0.7
165.01878	1.3
167.04987	1.2
169.06654	0.9
171.04436	1.7
173.06027	0.7
175.04005	7.7
179.03557	4.1
183.04514	3.0
185.02534	0.8
185.06067	2.7
187.04022	3.9
189.05585	0.9
190.95299	0.7
193.05074	2.5
195.04509	0.8
197.06058	1.2
199.03999	1.8
200.04910	1.5
201.05577	0.8
203.03465	1.2
211.03966	4.4
212.04669	1.1
213.05605	3.8
214.02696	1.0
216.76659	0.7
217.58806	0.6
221.04482	1.0
225.11308	0.8
227.03505	58.2
228.03816	5.2
229.05083	13.3
239.03543	2.6
240.04190	1.3
241.05054	2.0
243.02997	2.5
255.02991	95.5
256.03592	13.4
257.04526	7.7
267.03006	0.8
271.02585	3.5
283.02420	4.7
284.03271	92.1
285.04031	100.0
286.04474	6.5
298.04892	2.3
299.01968	3.7
299.05624	12.3
300.02692	2.6
314.04300	2.8
315.05118	6.3
323.07706	19.0
324.08136	1.9
337.09235	5.4
357.26736	1.5
375.27386	1.3
417.28665	3.0
440.13300	1.1
447.09280	2.9
461.11139	1.3
513.63635	0.9
579.33655	2.3
623.14050	96.0
624.14484	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
57.03444	1.5
58.00585	1.4
59.01381	37.0
69.03465	0.9
69.19359	5.9
71.01385	19.6
71.04986	0.7
72.01676	0.7
72.99284	1.7
73.02951	3.8
74.21355	0.5
80.02695	1.3
80.48442	0.6
81.03466	4.9
83.01396	1.7
83.05014	3.4
84.02180	1.2
85.02951	5.7
87.00889	5.4
89.02451	23.8
93.03461	0.8
95.01368	1.8
95.05018	1.0
97.02955	11.7
99.00887	2.2
101.02449	15.4
107.05030	1.3
109.06594	46.2
110.03751	2.2
110.06922	1.0
111.00933	0.6
111.04543	1.3
113.02466	9.0
119.03514	6.0
121.06591	2.3
122.77739	0.7
125.02450	4.4
131.03532	1.1
133.91248	0.6
135.08176	5.4
136.05309	2.2
141.01955	1.5
142.02699	3.2
143.03548	3.0
145.10208	0.9
161.04549	4.0
161.09718	2.7
163.11296	23.0
164.11642	1.0
165.09109	0.8
179.05627	5.7
179.10825	1.0
181.12358	6.6
189.09215	2.0
207.10268	100.0
208.10626	4.7
209.11815	1.7
219.27541	0.6
221.06715	1.6
225.11334	74.9
226.11647	3.4
235.08263	4.8
243.12273	2.5
251.53690	0.7
253.09305	2.3
263.07697	0.8
273.56470	0.7
287.07773	0.9
299.15048	0.9
305.08832	1.1
315.04947	0.9
397.13513	32.2
398.13861	1.9
415.14560	30.4
416.14905	2.9
443.19101	1.1
461.20313	1.3
516.58069	0.7
605.24390	2.5
623.25568	66.5
624.25879	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	623.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
57.03439	1.2
58.00599	1.5
59.01387	34.8
60.74392	0.7
61.98840	1.0
68.99805	0.9
69.00317	7.7
69.03443	1.7
71.00798	0.9
71.01389	21.8
72.99323	1.7
73.02953	3.9
78.47810	0.7
80.02693	1.3
81.03478	4.9
83.01408	2.4
83.05034	3.1
84.02140	0.8
85.02950	5.5
87.00888	4.8
89.02452	22.0
93.03448	1.2
95.01411	1.9
95.05035	1.0
97.02956	11.1
99.00909	2.9
101.02450	18.7
106.04214	0.8
107.05057	0.8
109.06603	42.5
110.03723	1.8
110.06928	2.2
111.00896	2.0
111.04521	1.5
113.02467	8.5
113.81998	0.7
119.03500	7.5
121.02968	1.1
121.06610	3.5
125.02473	4.3
125.14730	0.7
135.08157	4.6
136.05309	1.9
141.01935	1.0
142.02754	4.0
143.03520	4.5
145.10283	0.9
161.02463	0.9
161.04570	4.6
161.09756	2.7
163.11308	24.2
166.74689	0.8
167.03433	0.7
167.97513	0.8
169.05128	0.7
179.05646	5.2
181.12427	7.2
189.09222	1.9
190.75403	0.7
191.05690	1.1
195.93661	0.7
200.06602	0.7
205.08633	0.8
205.72455	0.7
207.10292	100.0
208.10689	6.2
209.11896	1.8
221.06775	1.4
222.81555	0.7
225.11356	74.6
226.11694	5.5
227.12830	0.7
227.65784	0.8
235.08267	5.5
243.12375	1.6
253.09308	2.1
263.07733	1.3
299.15302	1.3
299.18570	0.9
305.08868	1.1
397.13547	36.3
398.14090	1.9
415.14597	28.0
416.14883	2.3
443.19711	1.0
522.82941	0.8
529.80707	0.8
593.35193	0.9
605.24548	2.5
623.25623	71.1
624.25989	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	625.1415
Annotation	8-Hydroxyluteolin 8-gentiobioside
Peak:m/z	Relative Intensity
59.01387	3.7
60.53115	0.6
61.98828	1.0
63.02358	0.6
64.20095	0.6
65.00325	1.2
71.01375	2.8
71.29455	1.2
73.02936	0.8
83.01385	1.1
85.02957	1.4
87.00922	0.9
89.02454	1.9
93.03468	1.2
97.16790	0.6
101.02434	1.4
107.01400	1.6
108.02187	1.4
111.00922	0.8
113.02457	2.2
119.05035	0.9
121.02959	1.9
125.02515	0.8
133.03008	0.7
134.03757	3.5
135.04500	0.9
137.02405	0.7
148.01686	1.8
149.06078	1.4
151.00400	5.9
151.03970	0.8
161.02534	1.1
163.00331	1.0
170.39809	0.6
171.04535	0.8
178.02724	1.9
178.99875	5.2
191.05588	1.3
193.05000	3.2
199.13390	1.5
209.04549	0.6
226.02756	2.3
227.03613	2.9
227.12978	3.0
227.57727	0.6
243.03008	11.7
244.03537	0.7
254.02260	2.5
255.03026	27.1
256.03311	2.3
271.02515	59.5
272.02893	3.4
273.04105	1.2
275.10406	0.8
299.01968	2.7
300.02792	100.0
301.03375	13.9
324.32391	0.6
397.13235	0.8
425.14301	0.6
445.07898	1.5
460.38815	0.7
505.09961	1.1
555.08881	0.8
625.14105	59.7
626.14478	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	625.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02046	1.5
61.98839	3.5
71.29587	2.2
147.18582	1.4
180.74861	2.0
213.10370	7.7
306.24747	1.6
343.24930	3.5
360.07843	1.8
399.15738	1.6
405.13705	1.6
432.12460	2.3
433.13104	4.7
434.13745	3.1
437.94165	1.9
447.14716	2.5
448.15454	11.7
449.16443	7.3
451.49582	1.7
463.17862	19.1
464.18503	4.0
465.18811	2.0
477.19580	3.1
478.20010	2.3
479.20978	16.5
480.21182	2.0
491.17194	29.9
492.17880	3.4
505.18964	4.4
506.19556	8.1
507.20343	4.2
520.20325	2.3
523.20129	2.2
537.21930	2.6
538.22278	32.6
539.23059	8.5
593.24347	9.2
594.24768	1.9
619.74481	1.9
625.26740	100.0
626.27045	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	625.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.8
57.03442	1.2
58.00576	1.2
59.01089	1.2
59.01384	20.0
69.03464	0.9
71.01037	0.9
71.01393	15.1
72.99316	1.3
73.02936	2.1
74.02479	0.9
80.02682	1.3
81.03465	2.2
83.01405	1.6
83.05031	4.7
84.02163	2.1
85.02955	3.3
87.00880	4.2
89.01948	1.4
89.02461	16.9
95.01412	1.3
95.05025	0.7
97.02966	2.5
99.00885	1.3
101.02439	11.7
109.06611	0.8
111.00870	1.7
113.02454	8.0
119.03522	6.5
125.02437	3.9
135.08144	1.1
135.14825	0.9
141.01904	1.2
143.03511	2.8
161.04575	2.3
163.11304	4.8
165.12872	2.5
179.05608	3.4
181.12396	1.4
191.10950	0.9
199.13437	3.2
209.11845	100.0
210.12152	4.4
221.06625	1.6
227.12903	26.4
228.13358	1.3
235.08276	5.0
245.09348	2.2
253.09351	1.5
287.07739	1.5
305.08841	1.1
397.13519	33.1
398.13785	2.1
415.14554	19.6
416.14960	1.8
577.66345	0.9
625.27362	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	629.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.7
59.01384	13.9
61.78835	0.8
61.98835	4.8
71.01385	10.4
71.31492	0.9
71.31859	1.4
73.02930	1.6
81.03455	2.0
83.01414	1.2
83.05039	1.6
85.02971	3.7
87.00882	1.8
89.02454	9.1
95.05045	3.5
96.96055	2.4
97.06588	8.7
99.04564	0.9
101.02457	11.3
107.05045	1.6
108.94347	0.8
109.06613	3.6
113.02450	5.9
117.07124	1.3
119.03522	3.6
119.05041	2.8
123.08204	2.3
125.09737	21.4
135.08173	67.0
135.24895	0.9
136.08524	2.5
137.09747	1.4
145.03021	0.9
161.04587	3.4
161.06053	1.6
163.11324	3.0
165.12897	1.5
179.05698	1.2
179.14394	4.5
185.11873	8.5
187.09743	2.4
191.05663	1.5
207.10297	2.2
209.11824	8.6
219.17574	1.3
223.13409	52.2
224.13713	2.5
253.09311	26.8
263.16534	14.1
264.04016	0.9
264.16995	1.0
287.16522	8.2
293.04568	2.0
295.02460	1.6
305.17599	100.0
306.17892	7.2
349.16052	0.9
405.17963	1.8
415.89331	1.0
416.04025	0.8
523.25391	1.5
541.26501	12.5
585.25635	17.0
586.25592	1.9
597.12384	2.7
629.24158	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	629.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82903	1.8
54.65401	1.7
57.03442	6.3
59.01386	19.0
61.98835	14.8
68.99809	2.6
69.71051	5.6
71.01382	18.5
73.02957	2.8
81.03457	2.1
81.45757	1.8
82.95432	2.1
83.01393	3.5
83.05013	2.5
85.02953	35.4
87.00884	6.3
89.02465	7.0
93.03496	2.2
95.01373	2.4
95.05044	2.9
96.04487	1.8
97.02979	3.0
97.06616	5.2
99.00920	4.8
101.02443	8.8
107.05065	2.4
109.02957	2.1
109.06599	3.6
111.00896	1.8
112.01677	5.5
113.02461	100.0
114.02774	2.1
117.07130	3.0
117.42728	1.6
120.99673	5.8
123.04527	5.9
123.08180	2.7
133.02991	3.7
133.06609	4.0
135.04530	1.7
135.08177	15.0
136.05302	2.1
139.04033	2.7
141.09230	2.8
143.05037	3.8
149.02380	2.3
151.11282	14.9
153.09250	4.2
158.03792	3.3
158.07439	3.5
159.04477	2.5
161.04604	2.4
163.11275	2.5
169.12357	91.8
170.12743	6.8
171.04480	2.7
171.10326	2.2
172.05327	5.9
173.06012	3.8
174.06947	2.6
175.07796	1.7
179.07141	14.6
183.04533	3.7
183.10217	2.4
185.06039	3.9
186.06863	12.3
187.07649	15.0
193.08707	2.7
195.10327	1.9
197.08238	7.1
198.03238	2.8
199.04080	2.7
199.07693	2.3
200.04808	5.1
200.08476	2.8
201.05576	5.6
201.09250	7.4
207.10298	4.9
209.11955	4.4
211.07690	6.5
212.08459	2.7
213.09337	3.6
213.11322	19.4
214.06357	11.4
215.07152	22.0
218.42990	2.0
225.11328	4.3
226.02736	4.1
227.03464	4.2
227.07176	4.6
229.08722	25.2
230.09288	4.7
231.06667	3.2
231.10292	3.7
235.08334	2.9
253.09248	5.6
255.06621	16.3
256.07410	33.0
257.08273	11.1
268.07788	2.3
273.07748	6.5
274.08536	2.9
315.08926	3.2
316.09802	1.9
349.20190	2.1
353.14059	2.5
377.12537	2.1
418.12781	3.6
431.19550	2.3
435.13177	2.8
449.20212	24.1
450.20996	3.2
532.15839	18.9
533.16431	2.8
611.27734	8.4
629.28271	85.4
630.28638	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	630.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.2
59.01381	1.0
61.98835	100.0
66.32662	0.2
68.99823	0.3
71.01396	1.7
78.01279	0.2
83.01394	0.3
85.02952	1.3
87.00879	0.5
89.02459	0.5
96.37433	0.2
96.96058	0.3
98.22542	0.4
101.02462	0.7
109.06654	0.2
111.00921	0.5
113.02470	2.8
114.02803	0.5
120.94049	0.2
121.03003	0.2
125.09741	0.2
133.02995	0.8
137.02530	0.2
158.03802	0.2
163.11388	0.2
169.12399	0.6
171.10341	0.3
172.05360	0.4
173.06207	0.3
173.52563	0.2
177.01942	0.5
177.22986	0.2
178.02762	0.3
179.07104	0.2
183.04608	0.4
185.06151	0.3
186.06882	0.6
187.07683	0.6
187.09721	0.2
196.05386	0.5
197.06163	0.4
198.06773	0.2
199.04062	0.3
200.04866	0.4
201.09297	0.6
207.10326	0.4
209.11789	0.2
211.04070	0.5
211.07790	0.4
212.04970	0.2
212.08426	0.3
213.05695	0.2
214.06415	0.4
215.07150	1.2
224.04913	0.4
225.05698	0.6
225.09248	0.2
225.11256	0.2
226.02684	0.2
226.06377	0.3
226.10059	0.3
227.03630	0.6
227.07135	0.4
227.10796	0.2
229.08717	0.8
237.05640	0.5
239.03688	0.3
252.08020	0.6
253.05045	0.2
253.08636	1.3
254.09370	0.2
255.06708	0.4
255.13922	1.2
256.07510	0.8
257.08218	0.6
267.10440	0.3
268.11136	0.7
270.09076	0.2
270.12604	0.3
273.07797	0.3
275.09451	0.5
281.04614	0.3
281.11740	0.3
281.15466	0.4
283.13486	0.6
295.09903	0.2
296.10635	0.3
299.09549	0.2
299.12997	0.4
299.16418	0.4
309.15051	0.3
311.13058	0.7
316.09692	0.2
324.10434	0.3
325.14587	0.6
327.16016	1.1
353.13956	3.2
354.14514	0.6
371.15021	0.9
413.16287	0.8
437.14938	0.3
445.18549	0.2
461.18594	0.2
473.18771	0.3
533.20453	2.6
534.17334	0.5
630.22290	0.3
631.22949	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	633.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63485	1.3
55.01866	4.8
57.03436	3.8
58.00575	2.4
58.04066	1.1
59.01382	36.5
65.03948	1.7
69.03452	1.8
69.52692	4.6
69.53099	2.4
71.01384	22.8
71.05039	2.3
72.99306	1.4
73.02938	3.3
81.03451	10.0
82.88084	1.2
83.01395	7.3
83.05000	3.2
84.02177	2.4
85.02955	46.6
87.00867	1.9
89.02448	17.0
93.03458	1.6
94.95210	1.2
95.01393	2.8
96.24496	1.3
97.02956	3.5
98.22423	2.4
99.00868	2.6
99.04520	15.6
101.02451	19.3
101.11300	1.2
109.02979	2.1
111.00890	45.5
111.04533	2.7
113.02454	15.4
119.03520	7.5
123.04508	1.4
125.02477	1.4
127.04026	30.0
129.01952	61.0
139.04019	3.0
143.03517	2.6
161.04570	4.3
171.02930	6.7
179.05688	7.1
212.66092	1.4
231.04980	1.4
291.07230	100.0
292.07526	5.0
460.83673	1.2
508.31888	1.2
603.26947	1.7
643.85736	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52642	0.8
59.01376	2.2
65.99841	1.0
69.24409	7.4
82.02995	7.1
83.75878	0.9
100.83850	0.8
108.04582	1.6
112.04048	2.9
120.04556	4.2
129.05627	1.1
134.06143	1.2
135.03325	1.2
136.07684	5.7
138.05663	1.1
139.02785	1.4
146.02533	1.3
147.03297	2.2
148.04062	26.3
149.04828	9.5
150.05629	28.6
154.05121	2.3
160.04066	3.3
161.04845	11.8
161.62024	1.0
162.05606	3.3
163.02768	2.6
164.03563	8.7
166.08774	2.8
173.03581	14.4
173.04927	1.8
174.04355	28.5
174.05678	3.3
174.09245	1.0
175.05109	10.7
175.06451	6.3
176.05786	0.9
177.06732	1.4
186.05656	2.7
187.06393	4.3
188.05763	1.0
188.07256	2.0
189.06685	17.0
190.07487	32.5
191.05933	1.2
191.08209	4.5
199.07651	1.3
200.07124	5.0
201.07906	4.5
202.07491	4.1
202.08894	3.2
203.06001	1.4
203.08276	2.6
213.06848	1.2
213.10312	1.8
214.11183	3.6
215.08246	6.8
215.11809	1.2
216.06622	1.2
217.07445	2.5
217.09874	3.8
228.06697	3.1
231.07765	19.2
232.08533	37.7
233.09204	8.4
241.09836	4.0
242.08237	4.6
242.10466	1.8
243.07463	4.8
244.08250	10.1
245.07005	2.0
245.09305	5.8
246.07660	1.9
259.10864	2.2
259.51535	0.9
261.08752	1.3
262.09628	3.1
267.07788	1.8
268.08591	2.1
285.08682	4.4
286.07477	0.9
286.09735	8.3
287.10400	2.2
289.09549	3.8
303.09833	5.5
304.10703	3.1
305.11221	1.0
315.13556	10.4
337.10818	2.0
338.11316	1.1
340.13101	6.7
355.87967	1.0
356.16577	1.1
369.14621	2.0
395.14935	1.1
398.17236	28.5
399.17554	2.7
409.17709	2.2
410.17300	7.3
411.15692	1.3
428.18338	2.8
434.17294	3.5
435.17178	1.3
449.15927	1.9
452.18262	15.6
453.16989	4.5
454.16705	1.4
467.17096	5.5
468.17123	1.2
470.19357	100.0
471.19623	13.9
493.55493	1.0
503.19348	1.0
505.22284	1.0
522.94476	1.1
547.25677	1.1
561.23669	3.3
590.23645	1.1
615.24878	4.4
633.25732	24.4
634.25409	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	633.2563
Annotation	3-Hydroxyethylbacteriochlorophyllide a
Peak:m/z	Relative Intensity
56.51528	1.7
57.03441	2.1
58.44134	1.8
59.01382	27.5
61.84671	1.9
61.98837	18.0
66.16719	1.5
68.99808	6.6
69.00784	5.7
69.01205	14.1
71.01380	17.9
73.02957	2.9
76.56746	1.6
82.02967	3.0
82.95420	2.5
85.02944	7.7
89.02463	8.0
95.01395	4.5
95.05090	2.6
96.96026	5.6
96.96964	4.4
99.04523	2.8
101.02464	11.6
110.02471	12.1
111.00898	3.3
113.02451	9.6
117.03481	1.7
119.03460	2.0
119.05028	2.0
122.06114	3.5
133.02977	3.9
135.04558	4.4
136.07681	7.2
137.06075	4.0
145.03027	3.2
148.04044	12.6
149.04826	5.8
149.06004	1.9
150.05624	17.8
154.05038	2.1
160.04070	2.0
161.02507	3.9
161.04662	8.4
161.05952	2.1
162.05672	2.8
163.04022	2.8
164.03458	1.9
166.08740	2.5
171.04478	1.7
173.03639	4.1
174.04381	6.3
177.01932	4.1
179.94669	1.8
183.04482	3.1
187.07690	4.2
187.13586	1.7
189.06728	4.7
190.07504	11.1
191.05688	2.0
196.06197	3.2
197.06125	3.0
198.06859	1.8
199.07625	2.4
200.04753	2.1
201.05554	2.8
203.03642	2.2
211.04027	4.8
211.07677	11.3
212.08391	3.2
213.05516	4.2
215.08380	4.6
215.11916	9.2
217.09799	3.0
224.04776	1.9
224.08414	3.7
225.05495	3.7
225.09190	22.5
226.06163	4.2
226.09883	6.9
227.03560	3.8
227.10837	10.8
228.08008	3.3
229.08687	3.5
229.12389	2.2
230.05783	2.2
231.07829	4.1
232.08675	9.9
233.09235	2.5
236.08859	2.1
237.09041	2.7
237.12714	2.1
239.07141	10.1
239.10817	6.1
240.07875	2.8
240.11467	2.0
241.04976	2.5
241.10008	23.9
241.12314	3.8
243.07495	2.0
243.18533	1.9
244.08522	2.4
244.52968	1.9
245.09322	3.8
251.10786	7.2
253.04971	2.0
253.08749	12.4
253.12260	2.7
254.09525	8.1
255.06808	3.7
255.10291	6.7
255.13914	40.7
256.14377	2.0
257.09146	8.3
257.11887	9.2
259.10919	4.5
265.12378	2.9
267.10321	4.6
269.08542	5.0
269.11887	8.9
279.10580	5.8
280.07294	2.9
280.11057	3.2
281.11722	1.9
281.15472	4.0
282.08994	10.7
283.10049	3.9
283.13412	29.7
285.08765	5.1
285.11499	5.9
286.09515	3.0
295.09799	3.8
296.10867	4.7
297.11377	5.4
297.14923	4.2
298.08289	2.0
298.15573	2.3
299.13037	10.9
303.09946	12.6
309.11288	6.1
309.15045	7.2
311.12903	31.9
315.13669	3.0
324.09906	2.6
325.14227	10.2
327.12396	17.7
327.16104	8.8
340.13217	2.2
341.10300	12.8
342.10767	2.3
353.13947	84.0
354.14258	11.0
370.14352	3.9
371.15030	18.1
395.14911	1.8
398.17313	6.3
410.17114	4.4
413.16333	3.8
424.19006	2.1
434.17593	2.7
449.15637	2.4
452.18323	11.5
453.17044	3.9
466.16330	4.4
467.16821	3.3
468.17355	2.2
470.19351	53.7
471.19580	7.0
473.18146	3.2
516.37909	1.8
533.20721	2.7
561.23242	3.1
581.89221	2.3
589.22919	54.8
590.23669	9.7
615.24402	5.7
624.38507	1.9
633.25555	100.0
634.25812	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	633.257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.5
69.31125	6.2
82.02986	4.5
82.49358	0.9
91.02868	0.9
98.08511	1.0
98.22489	1.6
108.04504	1.4
112.04117	1.2
120.04572	2.7
136.07683	4.9
147.03262	2.1
148.04054	24.5
149.04858	7.8
149.05934	1.5
150.05614	21.8
154.05113	2.5
159.05696	1.1
160.04086	3.2
161.04829	7.6
161.07037	1.2
162.05568	2.0
163.02707	0.9
164.03543	5.9
166.08731	2.9
173.03568	9.6
173.04819	1.7
174.04347	23.9
174.05609	2.3
175.05086	8.1
175.06441	4.8
177.06644	1.0
186.05505	1.5
187.06380	4.0
188.07210	1.9
189.06708	13.5
190.07486	26.7
191.08200	3.0
192.03036	1.1
200.07199	2.5
201.07962	4.0
202.07245	4.3
202.09024	1.4
203.08157	1.5
213.06789	1.3
213.10349	1.5
214.05058	1.3
214.11179	1.7
215.08202	5.3
217.07494	2.6
217.09821	3.7
228.06625	2.7
231.07710	18.6
232.08508	27.6
233.09218	5.4
241.09875	1.4
242.08229	3.7
242.10498	1.8
243.07568	4.9
243.11533	1.3
244.08199	10.6
245.06906	1.1
245.09258	5.9
261.08740	1.1
262.09586	3.3
268.08496	2.0
269.09256	0.9
285.08862	3.3
286.09744	5.3
287.10522	1.5
289.09586	3.9
303.09784	2.5
304.10773	4.3
305.11575	1.4
315.13528	10.2
316.13928	1.5
337.10599	2.1
340.13022	5.0
368.15942	1.0
398.17203	30.3
399.17288	3.3
409.17673	2.1
410.17273	5.2
428.18317	4.1
434.17038	4.3
449.16235	1.7
452.18292	14.9
453.16797	6.4
454.16830	1.3
466.69791	1.0
467.17203	5.1
468.17313	1.1
470.19357	100.0
471.19635	11.9
496.17175	1.3
561.23926	5.1
573.22449	1.0
615.24603	5.5
616.25177	1.3
633.25659	22.5
634.26050	4.5
637.72131	1.2
653.90204	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71605	0.9
59.01373	2.2
61.98830	1.1
78.65028	1.1
80.50825	1.0
82.02974	6.4
83.98641	1.2
96.04607	1.2
108.04533	1.3
112.03974	1.4
120.04549	3.2
120.98569	1.1
124.03992	1.2
129.05550	1.5
135.03217	1.3
136.07692	4.3
138.22780	1.1
147.03244	1.7
148.04060	19.6
149.04820	7.8
150.05640	25.4
151.20642	1.1
154.05090	1.9
160.04083	3.0
161.04852	9.4
162.05563	2.0
163.02704	1.9
164.03537	7.8
166.08713	2.6
173.03569	10.0
173.04834	1.8
173.07204	1.2
174.04358	22.8
174.05637	2.5
175.05112	7.6
175.06436	3.8
176.05815	1.6
179.16795	1.1
186.05589	2.0
187.06351	4.7
188.07167	2.2
189.06689	16.3
190.07468	24.9
191.05923	1.1
191.08150	2.9
192.03119	1.3
200.07130	4.3
201.07928	3.7
202.07460	4.8
202.09019	1.7
203.05974	1.7
213.10503	1.2
214.11090	3.2
215.08234	3.7
215.55447	1.0
217.07440	3.0
217.09769	2.7
224.07161	3.0
227.09573	1.7
228.06737	2.9
231.07719	20.4
232.08546	33.9
233.09155	6.2
241.09802	3.1
242.08250	5.5
242.10637	3.4
243.07520	5.7
244.08188	10.5
245.09282	4.7
261.08881	1.8
262.09546	2.5
267.07739	2.5
268.08450	1.9
271.08389	1.5
285.08817	4.8
286.09778	7.2
287.10318	1.2
289.09558	4.0
303.09894	4.6
304.10690	3.3
315.13528	12.2
316.13885	1.4
337.10754	2.2
340.13077	5.9
378.99261	1.2
382.63571	1.1
398.17230	30.1
399.17496	3.0
409.17624	3.3
410.17334	7.9
411.16052	1.3
428.18243	3.5
434.17267	4.7
449.15884	2.1
452.18234	15.6
453.16837	6.1
467.17133	5.9
468.17496	2.3
470.19360	100.0
471.19687	13.7
561.23511	3.2
615.24457	7.0
633.25690	26.6
634.25763	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	633.2559
Annotation	3-Hydroxyethylbacteriochlorophyllide a
Peak:m/z	Relative Intensity
59.01386	7.3
61.98841	1.8
63.45934	0.7
67.38951	0.8
68.99820	2.2
69.21164	6.9
71.01385	16.1
73.02952	1.6
81.03453	2.6
82.95429	1.0
83.01398	0.9
85.02953	2.9
89.02472	1.2
99.04544	1.4
101.02463	2.0
110.02508	2.2
113.02504	2.0
116.92877	3.1
130.30283	0.7
133.02989	1.3
161.02467	1.2
161.04501	1.1
170.03831	1.3
172.05341	0.9
183.04559	6.0
185.06148	2.6
186.06842	1.7
187.07634	1.5
195.08121	0.8
196.05391	1.4
197.06104	5.6
198.03172	2.6
198.06844	2.2
199.03995	1.0
199.07654	2.8
200.04803	2.6
200.08450	2.0
201.09317	1.7
207.61908	0.9
209.06187	1.2
210.06921	1.2
211.04047	5.4
211.07616	6.2
212.04837	1.3
212.08401	1.0
213.05647	2.9
213.09186	1.4
214.06461	1.0
215.03714	0.9
215.07161	2.6
223.04050	1.3
223.07620	1.3
224.04741	4.4
224.08377	1.0
225.05548	7.2
225.09203	3.5
226.06470	2.5
226.09952	8.0
227.07271	4.5
227.10764	5.2
228.11191	0.9
229.08713	2.5
237.05602	2.7
238.06273	1.0
239.03561	2.0
239.07184	2.8
239.10822	3.7
240.04306	1.2
240.08070	0.9
240.11609	0.9
241.05063	1.0
241.12302	1.3
249.08928	0.8
251.10841	1.5
252.07936	6.3
253.05077	2.7
253.08743	12.5
253.12575	1.1
254.06018	1.2
254.09160	1.9
255.06616	1.7
255.10088	1.7
255.13950	22.0
256.14383	1.8
257.08170	1.1
265.12192	1.0
266.09293	1.0
267.07080	1.0
267.10330	2.4
268.11096	6.3
269.11572	1.7
270.09167	0.9
270.12646	3.2
281.11844	1.5
281.15524	3.9
283.10269	1.7
283.13464	7.5
295.09805	1.3
296.10529	3.7
297.11469	1.3
297.14920	3.6
298.11758	1.3
299.12952	3.3
299.16577	10.0
300.16772	1.0
309.15067	1.7
311.12921	4.6
312.13550	1.4
325.14612	4.1
327.12656	1.4
327.16122	7.1
329.35080	0.8
335.12955	1.1
343.15594	3.0
353.13928	9.6
354.14471	2.1
366.77869	0.8
371.14963	3.0
383.18829	1.7
427.21469	1.6
533.16687	1.0
536.18970	2.3
561.23468	11.1
562.23950	1.5
566.32465	0.9
567.33057	1.2
589.22736	6.5
590.23480	1.5
605.26141	11.1
606.26392	2.0
615.24725	3.0
633.25555	100.0
634.25909	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	635.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99825	1.2
59.01384	11.1
64.52849	1.1
71.01384	8.3
71.30194	1.3
73.02949	2.2
85.02941	4.1
89.02460	5.7
93.03454	1.9
95.01379	1.4
96.96024	3.5
97.02966	1.7
99.00883	3.9
101.02439	4.1
105.03532	1.1
108.02172	1.4
109.02953	3.9
110.02480	1.6
111.00834	1.7
113.02473	6.6
119.05013	6.3
119.78862	1.1
121.02983	10.5
124.52502	1.2
129.01949	1.4
132.02188	1.1
132.05821	1.7
133.02977	30.0
133.06580	5.0
134.03673	2.1
135.04535	23.8
137.02483	2.4
145.02957	3.7
146.94032	1.1
147.04517	1.6
149.06079	3.9
159.04517	2.0
160.01617	1.7
161.02457	100.0
161.04599	2.6
161.06024	5.8
162.02742	3.7
163.03999	3.7
164.04758	2.2
175.03947	3.1
176.04692	1.8
177.05539	9.3
178.02577	1.7
179.03508	26.9
188.06918	1.1
191.05583	1.5
203.03499	17.1
203.08286	1.4
204.03978	1.8
205.04980	1.7
208.03868	2.1
211.07388	1.7
221.04523	6.7
223.07663	2.6
227.03572	1.5
231.10315	1.2
233.04443	2.5
234.72014	1.1
235.07678	2.8
241.09898	2.4
246.06995	1.2
247.07506	3.7
248.08421	1.3
248.24461	1.0
251.07333	15.2
252.07924	25.5
253.08221	2.3
255.06520	1.2
257.08243	1.4
263.07230	6.2
264.07932	13.8
265.08652	1.8
267.07260	1.6
267.10229	11.8
268.10712	1.3
269.11850	1.2
275.09210	1.4
279.06616	20.7
279.10132	4.2
280.07181	2.1
281.06735	4.0
285.04053	3.7
286.04340	2.5
292.07443	2.2
293.08167	3.3
295.06290	1.7
296.06799	3.5
299.08984	1.9
305.08292	2.5
307.06125	1.2
308.06921	8.4
309.07443	1.7
310.08484	3.0
311.09247	17.4
312.09586	1.6
323.09293	22.3
324.09518	1.9
325.07193	9.0
341.08694	25.2
342.09131	2.4
343.08350	2.7
367.08310	2.4
437.15018	1.9
439.12408	19.0
440.12747	2.8
445.11429	2.9
454.47824	1.4
472.20087	2.7
480.79074	1.6
503.14877	1.7
505.13547	23.8
506.13824	2.7
591.22638	1.9
603.17126	17.3
604.17371	3.3
617.18610	3.8
618.19647	2.3
635.19727	96.1
636.20239	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	635.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15258	2.1
50.70298	2.1
57.03448	2.4
58.00590	2.8
59.01383	100.0
61.98825	3.5
71.01383	59.7
71.31368	3.2
72.99304	4.3
73.02941	19.8
75.78253	2.1
82.95419	5.3
83.01383	7.5
83.56845	2.2
85.02966	19.2
87.00883	4.8
89.02455	34.0
93.03448	3.8
95.01387	6.6
95.21178	2.1
96.95998	6.2
101.02444	28.5
110.02492	7.1
113.02460	46.7
119.03531	13.4
119.05048	3.4
125.02461	3.7
131.03357	3.4
135.04483	3.2
136.04089	10.8
143.03482	5.7
145.02992	3.0
148.04031	3.4
161.02365	3.7
161.04512	14.1
176.05887	3.0
179.05614	8.9
195.07745	8.9
240.66452	2.7
258.10190	2.7
329.14038	2.6
368.83105	2.3
369.19382	4.1
371.14655	2.4
395.16214	17.7
412.18607	6.3
454.19800	25.1
455.20273	2.9
531.24451	56.0
531.36377	2.5
532.24957	8.0
549.25513	37.3
550.26068	4.1
557.37268	2.8
582.63184	2.4
591.25671	11.0
611.16803	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	635.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84420	1.1
58.02422	0.9
59.01384	1.2
63.69485	1.0
64.21679	1.1
69.20628	7.4
82.02982	5.9
86.49287	1.0
88.92917	1.1
96.04547	1.7
98.22552	1.9
112.04071	1.8
120.04569	5.0
121.06638	1.5
122.06114	1.6
129.05560	3.9
136.07724	3.3
138.05623	1.4
138.09247	2.3
147.03325	1.2
147.04527	1.2
148.02921	2.2
148.04065	31.6
149.04767	2.5
150.05609	18.2
160.04057	9.6
161.04834	64.5
162.05507	4.0
164.03549	2.4
173.03564	4.7
173.04828	1.4
173.06117	1.5
174.04321	6.9
174.05682	3.2
175.05135	50.6
175.06371	2.7
176.05872	5.3
177.06729	1.6
186.05585	2.0
187.06325	3.0
188.07077	1.5
189.06709	3.8
190.07462	9.8
191.08281	6.4
192.22237	1.2
201.07753	2.0
201.09279	3.2
202.08823	9.7
203.04665	12.6
203.08299	1.8
216.06741	5.5
217.07336	2.1
219.11378	1.7
226.08755	1.5
228.06517	1.9
229.07434	3.3
231.07870	1.6
232.08539	10.1
233.09319	21.3
242.08104	1.6
244.09819	100.0
245.09421	8.3
246.07677	1.3
261.12543	1.3
278.69360	1.1
286.09579	2.7
287.10352	6.8
287.13586	1.6
288.08737	12.0
289.09552	2.1
295.10992	2.2
305.11441	32.4
306.11792	2.3
337.10803	1.2
338.11520	14.2
339.12122	2.4
370.17731	2.4
400.18704	3.4
418.99182	1.2
442.19794	9.5
443.20499	1.2
449.15598	1.3
467.16940	2.3
468.17758	48.8
469.18222	4.8
472.20996	11.4
589.85986	1.4
605.26306	8.9
617.25757	1.3
635.27234	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	635.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84420	1.1
58.02422	0.9
59.01384	1.2
63.69485	1.0
64.21679	1.1
69.20628	7.4
82.02982	5.9
86.49287	1.0
88.92917	1.1
96.04547	1.7
98.22552	1.9
112.04071	1.8
120.04569	5.0
121.06638	1.5
122.06114	1.6
129.05560	3.9
136.07724	3.3
138.05623	1.4
138.09247	2.3
147.03325	1.2
147.04527	1.2
148.02921	2.2
148.04065	31.6
149.04767	2.5
150.05609	18.2
160.04057	9.6
161.04834	64.5
162.05507	4.0
164.03549	2.4
173.03564	4.7
173.04828	1.4
173.06117	1.5
174.04321	6.9
174.05682	3.2
175.05135	50.6
175.06371	2.7
176.05872	5.3
177.06729	1.6
186.05585	2.0
187.06325	3.0
188.07077	1.5
189.06709	3.8
190.07462	9.8
191.08281	6.4
192.22237	1.2
201.07753	2.0
201.09279	3.2
202.08823	9.7
203.04665	12.6
203.08299	1.8
216.06741	5.5
217.07336	2.1
219.11378	1.7
226.08755	1.5
228.06517	1.9
229.07434	3.3
231.07870	1.6
232.08539	10.1
233.09319	21.3
242.08104	1.6
244.09819	100.0
245.09421	8.3
246.07677	1.3
261.12543	1.3
278.69360	1.1
286.09579	2.7
287.10352	6.8
287.13586	1.6
288.08737	12.0
289.09552	2.1
295.10992	2.2
305.11441	32.4
306.11792	2.3
337.10803	1.2
338.11520	14.2
339.12122	2.4
370.17731	2.4
400.18704	3.4
418.99182	1.2
442.19794	9.5
443.20499	1.2
449.15598	1.3
467.16940	2.3
468.17758	48.8
469.18222	4.8
472.20996	11.4
589.85986	1.4
605.26306	8.9
617.25757	1.3
635.27234	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	635.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15356	0.6
55.83144	0.6
57.03441	0.8
59.01380	1.9
61.92291	0.7
68.63171	0.6
69.21271	5.6
69.26135	0.7
75.59231	0.6
81.26988	0.6
82.02995	4.9
96.04578	1.2
98.21805	1.2
107.06536	0.7
108.04623	0.9
112.04062	2.6
120.04562	4.4
121.06643	1.2
122.06094	1.6
123.65438	0.6
129.05563	3.3
132.04626	0.8
133.20973	0.6
135.80280	0.6
136.04044	0.8
136.07709	3.2
138.05617	0.8
138.09264	1.8
147.03308	0.9
147.04520	1.4
147.05620	0.9
148.04063	31.4
148.07898	0.7
149.04703	2.1
150.05624	18.5
150.34750	0.7
154.05118	2.3
160.02802	1.5
160.04041	10.3
161.04837	60.3
162.05574	4.4
164.03561	2.8
173.03561	4.9
173.04813	1.2
173.06131	1.1
174.04335	9.0
174.05664	2.3
175.05138	54.1
175.06319	2.7
176.05881	6.0
177.06705	1.8
179.08330	1.0
186.05653	2.1
187.06438	2.8
188.07193	1.6
189.05237	0.7
189.06613	4.2
190.05104	0.7
190.07445	9.1
191.08284	6.5
200.07243	1.2
200.10892	1.0
201.07922	2.8
201.09326	2.2
202.03851	1.4
202.08844	10.1
203.04652	11.6
203.08269	2.1
204.04959	0.9
204.06718	1.3
214.05086	0.7
214.11150	1.8
215.05991	0.8
215.08330	1.0
216.06721	5.0
216.10405	1.3
217.07425	2.2
217.09706	0.7
219.11421	1.2
219.33049	0.7
219.41705	0.7
226.08853	1.3
227.09625	0.7
228.06691	2.2
229.07445	1.8
231.07747	2.2
232.08545	10.6
233.09331	23.6
234.09805	0.8
241.09956	0.6
242.08278	1.3
243.07855	1.0
243.11377	1.5
244.09837	100.0
245.06920	1.4
245.09534	9.3
246.07823	1.3
259.07156	0.8
263.10449	1.9
286.09711	2.3
287.10422	6.2
287.13715	1.2
288.08804	15.7
289.09308	1.3
295.11084	2.3
305.11447	30.7
306.11703	0.8
312.13525	1.6
337.11014	0.9
338.11475	15.9
339.12320	1.8
370.17834	2.8
382.17780	1.0
396.15747	1.9
400.13989	0.7
400.19061	2.4
412.19055	0.9
419.16464	0.7
424.18930	1.8
426.16928	1.5
427.77591	0.7
442.19861	8.2
449.15396	0.9
454.20251	2.0
455.18381	0.8
467.16858	3.2
468.17789	55.7
469.18195	5.6
472.20932	14.7
472.27280	1.2
563.25134	1.6
587.25403	0.8
605.26031	8.2
606.26593	1.2
617.26117	0.9
635.27155	7.7
636.27631	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	636.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	12.4
59.01377	3.2
70.02981	5.9
71.01367	1.6
71.31600	1.2
72.00880	2.6
80.87576	1.2
87.23095	1.2
91.05532	2.9
93.03468	4.5
101.02464	1.2
113.02428	1.4
119.05036	1.2
119.21290	1.2
135.04530	3.4
147.04527	21.8
164.07179	55.2
165.07480	1.8
173.04578	1.3
206.08228	100.0
207.08626	3.8
226.06355	1.5
239.10712	2.3
241.08766	4.3
250.07277	1.4
252.48257	1.3
265.08685	1.6
283.09799	4.1
285.07593	2.0
292.80005	1.1
379.70474	1.3
397.17786	5.9
447.12790	1.4
500.20059	2.0
507.15283	2.3
557.14648	1.8
559.77533	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29153	0.9
58.00596	1.6
59.01385	41.0
62.17095	0.7
69.03478	1.1
71.01387	26.6
71.28242	1.1
72.01715	1.2
72.99303	2.7
83.01398	1.5
85.02970	6.9
87.00887	2.9
89.02454	28.6
94.64638	0.9
95.01395	1.9
97.02963	1.7
101.02441	15.2
107.33327	1.0
111.00889	1.1
113.02469	21.0
114.02799	2.4
115.02856	1.0
115.03144	1.3
115.04018	20.3
119.03506	13.2
119.04993	1.5
131.03561	1.1
145.02863	1.3
149.04608	1.2
155.03525	1.0
161.04604	2.0
163.03995	1.9
167.03500	1.1
171.42700	0.9
179.05605	8.1
181.06129	1.4
187.04152	0.8
187.47144	0.8
205.05083	1.9
249.65152	0.9
260.24170	0.9
265.07239	1.2
293.08859	1.2
294.09122	1.2
295.10361	100.0
296.10748	5.8
341.10944	1.1
343.11456	0.9
355.69498	1.1
439.12244	3.3
568.08118	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	1.4
58.90949	1.2
59.01385	13.5
61.98826	6.2
65.03950	2.6
66.46513	1.2
69.03471	2.0
71.01402	10.4
73.02940	3.2
75.61899	1.1
76.03979	1.1
83.05029	1.3
85.02959	4.2
87.00881	4.1
89.02464	5.4
90.80827	1.3
91.05565	1.8
93.03442	2.0
95.01389	1.7
97.06598	2.1
99.00893	1.5
101.02448	5.9
105.07099	1.6
109.06616	1.5
113.02472	3.7
115.05540	1.5
117.07162	1.5
123.08186	1.9
125.09768	10.1
129.06375	1.3
131.08772	1.3
145.05185	1.3
161.04572	2.7
163.11464	2.2
185.11864	3.9
187.14995	4.4
202.35414	1.6
203.14330	1.6
205.12416	1.9
209.11848	11.5
213.12929	6.2
231.13940	13.0
233.11778	3.7
235.08241	2.2
235.13388	1.4
249.14914	2.6
295.10898	1.4
329.25281	1.7
339.23322	2.3
344.42654	1.3
365.21176	2.3
373.23889	3.9
383.22330	15.1
391.24838	1.8
401.23297	13.9
402.23529	2.3
419.24258	3.8
470.55814	1.4
597.44348	1.4
619.31281	100.0
620.31592	17.3
637.32642	15.2
638.32324	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	638.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	18.6
69.65516	8.1
71.01384	13.5
72.99318	2.4
79.91202	1.7
85.02977	2.4
85.06609	7.5
89.02450	13.6
101.02448	9.3
108.04579	12.3
113.02462	5.8
113.06127	2.1
119.03666	7.4
119.05036	54.7
120.05372	3.2
127.07599	1.6
131.07150	33.6
131.71422	1.8
150.05617	12.8
163.04021	63.7
164.04425	3.3
179.81955	1.7
216.31029	1.6
251.06828	1.5
269.08133	2.4
270.08649	3.0
293.12442	100.0
294.12747	7.2
325.09448	7.8
325.12982	1.6
344.13574	20.0
345.14117	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	639.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56453	1.4
51.32706	1.6
59.01385	9.2
71.01384	8.9
71.29096	1.9
73.02937	3.2
83.55822	1.6
85.02940	2.9
89.02434	4.4
90.12392	1.5
93.03474	2.8
99.00917	3.7
101.02436	4.2
111.00878	4.7
113.02481	7.5
115.00397	1.6
119.05022	4.9
121.02977	9.7
122.03765	1.6
136.01646	1.9
145.02943	10.9
161.04581	2.1
163.03996	5.2
165.01889	3.7
165.05588	4.4
179.05548	2.0
180.04346	2.2
187.03935	2.3
191.05638	2.9
194.16917	1.4
197.06104	4.5
209.04391	2.1
209.06161	2.2
211.07616	1.6
212.03307	6.2
213.03493	1.4
213.05560	7.0
223.03961	3.2
225.05548	9.5
233.08240	2.3
237.05566	3.6
238.06151	1.8
240.04260	5.4
241.05070	31.4
242.05544	4.0
253.05103	16.5
254.05533	2.7
255.06647	3.7
256.07413	17.0
257.08060	2.6
268.03650	2.9
268.07425	3.6
269.04495	6.5
271.06415	1.8
271.09799	5.4
281.04596	4.9
282.05258	3.0
283.06210	2.1
283.09576	3.7
284.06818	4.6
284.10126	2.0
285.03955	2.1
295.06390	2.3
296.06967	8.7
297.04102	30.9
297.07388	3.1
298.04486	3.6
299.05643	3.6
300.06500	12.7
301.07104	2.7
311.05591	6.8
312.06454	37.1
313.06891	5.7
314.07855	6.8
315.08789	47.1
315.12360	3.4
316.08939	2.8
325.09470	2.7
327.08771	100.0
328.09134	9.1
397.17728	4.1
423.12711	2.1
425.14590	3.4
507.15167	2.7
609.18213	6.0
621.17969	9.4
639.19238	76.1
640.19623	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	639.2468
Annotation	Swietephragmin G
Peak:m/z	Relative Intensity
61.98829	3.0
63.67072	1.2
69.06203	7.5
69.06629	5.1
108.04507	2.0
109.02915	1.4
120.93803	1.5
126.43059	1.5
134.02406	1.5
136.04050	8.5
155.60992	1.5
213.10336	3.3
241.99255	1.7
268.74933	1.5
299.14011	2.0
342.12625	2.6
373.92844	1.5
419.11996	1.7
433.13150	2.1
434.14493	2.5
435.14185	2.8
463.14075	4.1
472.28601	1.3
476.71475	1.4
477.15665	11.4
478.16382	3.0
491.17935	2.0
493.18750	15.0
505.15070	18.3
506.15619	2.6
520.17743	4.4
537.17444	2.0
552.20160	35.0
552.28595	2.0
553.20599	7.1
560.74609	1.6
607.22070	6.0
639.24622	100.0
640.24933	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	639.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55878	0.6
55.01867	0.7
57.03458	0.8
58.96548	0.6
59.01388	14.9
61.98840	13.1
69.03472	3.7
69.16998	3.7
69.17401	1.8
71.05028	2.3
72.99310	0.7
73.02960	2.0
81.03469	0.7
81.49078	0.6
83.01382	0.9
85.02969	3.1
87.00915	1.9
89.02457	8.7
95.24467	0.6
97.02969	1.7
99.00908	1.2
101.02454	7.3
102.13033	0.6
111.45359	0.7
111.49660	0.5
113.02502	3.5
119.03535	1.8
123.08207	0.8
125.02464	2.3
125.09766	1.4
143.03479	0.7
150.05638	3.9
151.11324	1.9
153.12845	1.2
161.04579	1.3
161.09744	2.2
169.05170	0.6
170.45912	0.6
179.10811	5.2
191.05620	0.7
197.11852	70.7
198.12148	3.9
209.39656	0.6
212.09636	1.7
221.06783	0.9
223.09840	1.6
227.11942	11.6
235.08179	0.7
241.10843	9.2
252.28751	0.6
253.13499	0.7
255.03043	0.6
271.10968	2.3
283.02487	1.3
397.13626	1.2
499.97830	0.6
513.92914	0.6
577.15979	1.2
621.24988	0.9
639.25201	100.0
640.25397	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.8
55.36956	0.6
57.03447	0.8
59.01384	18.5
61.98838	0.6
64.65826	0.5
67.35446	0.7
69.03469	3.1
69.95737	1.1
69.96127	1.5
71.00989	0.6
71.01388	12.4
72.99296	0.8
73.02937	2.3
81.03476	1.0
81.49087	0.8
83.01401	1.3
85.02964	3.5
87.00886	2.5
89.02460	9.8
94.18903	0.6
94.81692	0.5
95.01431	0.9
97.02962	1.7
97.06612	0.8
97.33968	0.5
99.00892	1.1
101.02450	10.5
105.67921	0.6
111.00922	1.4
111.04539	0.9
112.82954	0.7
113.02482	4.5
115.00401	0.9
119.03506	3.3
119.05035	1.2
121.03001	1.1
123.08178	1.0
125.02458	2.0
125.09743	1.3
140.13780	0.6
143.03473	0.9
145.02890	0.9
151.11340	1.6
153.12895	1.9
161.04614	1.4
161.09732	2.5
163.03995	1.2
179.05612	0.6
179.10799	6.4
197.11845	59.8
198.12173	2.4
211.07625	0.8
221.06712	1.2
223.09842	1.6
235.08156	1.3
241.10802	6.5
279.10886	0.9
377.11136	1.4
397.13519	1.8
397.17947	1.4
400.55078	0.7
401.63654	0.8
408.34900	0.7
415.14395	0.8
425.14490	0.6
537.12207	0.7
607.25641	0.6
612.00037	0.7
621.24365	1.0
639.25122	100.0
640.15625	1.1
640.25537	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	641.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.6
57.61240	2.2
59.01387	41.4
61.98839	7.5
69.03461	5.1
70.54441	6.6
71.01398	24.1
72.99326	4.1
73.02957	6.0
79.28007	2.3
80.02702	4.4
81.03481	10.3
83.01406	5.3
83.05031	9.1
85.02962	7.1
87.00881	2.8
88.98822	7.3
89.02448	12.1
93.03459	6.1
95.05042	13.6
96.24692	2.6
97.02958	11.1
97.06615	12.0
99.00889	7.1
99.04536	2.9
99.47970	2.8
101.02450	20.0
107.05062	5.0
109.06605	39.0
110.03738	8.2
111.04534	6.9
113.02489	6.9
117.07092	6.0
121.06628	4.4
123.04576	10.2
123.08208	5.3
123.95219	2.7
125.09749	12.8
131.04970	2.8
133.06616	11.1
135.04509	3.6
135.08179	29.0
142.02742	4.6
145.05087	4.2
147.08174	4.1
149.06067	3.5
151.04007	2.7
151.07675	9.4
151.11336	5.2
153.09229	10.5
161.04688	4.7
161.05981	3.2
161.09732	5.2
163.07674	6.5
163.11296	27.9
169.12379	3.9
171.10362	3.9
177.05600	2.4
177.09274	5.1
179.07159	47.4
179.10880	3.5
181.08704	11.6
181.12311	7.1
185.11865	3.1
187.09660	2.5
189.09204	7.5
191.10715	3.9
195.06660	15.3
195.10384	3.6
197.08180	39.6
197.11867	7.1
205.08617	3.2
207.10281	89.9
208.10571	5.1
209.11855	37.7
219.06647	3.6
223.09784	18.0
225.11354	100.0
226.11697	8.4
227.12976	6.5
235.08092	4.3
235.13382	7.2
253.09354	27.5
257.50043	2.6
263.12885	4.2
277.18353	3.0
285.15210	4.6
289.18182	4.3
299.16434	4.0
315.19791	4.6
317.17612	2.8
323.16663	2.8
325.14435	3.0
325.18069	4.8
343.15570	4.4
343.19284	10.4
359.18658	4.4
361.20355	3.5
369.17117	11.2
387.18121	13.6
405.19016	5.9
433.17398	3.2
443.19391	5.2
461.20349	35.5
462.20502	5.2
479.22754	3.4
516.72729	2.8
569.26349	2.7
579.24646	5.3
595.27869	8.4
597.25635	23.4
598.26050	3.1
605.26324	11.2
623.27118	76.0
624.27216	13.4
641.28241	90.4
642.28723	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	641.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10828	1.2
51.41123	1.2
55.01877	1.9
57.03461	2.5
59.01381	39.4
67.05540	1.7
69.03459	3.9
71.01386	22.3
72.99310	1.3
73.02944	3.9
80.02674	1.4
81.03455	8.7
83.01390	4.4
83.05029	9.4
85.02949	6.9
87.00873	6.0
89.02450	11.6
93.03431	3.5
93.07120	2.0
95.01378	3.8
95.05017	11.5
97.02938	10.1
97.06595	20.6
99.00851	3.8
99.04512	1.9
101.02454	13.3
107.05048	6.7
108.02168	2.5
109.02950	2.4
109.06602	37.5
109.07367	1.9
110.03734	3.1
111.00910	1.6
111.04522	1.9
113.02432	7.6
117.07154	6.0
119.03487	4.4
119.05024	2.7
119.08669	2.2
121.02990	1.5
121.06606	5.0
123.04551	7.5
123.08164	5.7
125.06051	1.9
125.09735	24.0
133.06616	10.1
135.04530	2.0
135.08170	28.2
136.05310	3.0
137.06180	1.9
137.09775	2.1
142.02699	3.4
145.05029	3.4
145.06595	2.5
147.08163	9.8
151.07733	1.4
153.05562	1.6
153.09245	7.0
159.06638	4.2
161.04558	4.2
161.06062	4.9
161.09718	5.0
163.07730	6.7
163.11293	19.8
165.09258	1.9
171.10344	2.6
173.06036	1.7
173.09647	2.2
175.07623	5.1
175.11267	2.5
176.08336	1.3
179.05675	1.7
179.07140	32.2
179.10710	1.7
180.07529	1.7
181.08717	5.0
181.12378	3.4
185.11780	3.1
187.07750	2.1
187.09758	10.2
189.05679	1.4
189.09215	3.5
191.07137	4.2
191.10818	6.8
197.08195	14.0
197.11914	1.6
199.07649	1.4
201.12949	2.3
203.10722	2.3
207.10278	78.7
208.10623	4.6
209.08324	1.7
209.11844	25.8
212.08495	1.8
217.08688	3.6
217.12355	2.3
219.10231	3.4
219.13864	2.3
223.09760	4.0
223.13478	3.2
225.11333	37.4
226.11748	2.0
229.08569	1.6
235.08180	4.4
235.13342	2.9
237.11334	4.6
245.11867	3.4
253.09293	18.7
255.17538	2.7
263.12894	6.3
264.12946	1.8
271.13776	1.4
271.17062	3.6
273.18469	1.7
281.15613	2.7
281.19284	1.3
289.14636	2.3
289.18094	3.0
297.15262	2.3
297.18628	1.9
299.16635	13.9
299.19989	2.6
307.13504	1.7
313.18045	1.6
315.15933	5.6
315.19580	2.8
317.17560	9.2
323.16544	3.3
325.14462	3.2
325.18057	7.1
333.17151	2.7
341.17734	7.9
343.15482	7.9
343.19189	19.0
344.19766	2.1
351.15991	1.9
357.17062	1.5
359.18600	6.5
361.16449	5.4
369.17163	11.2
377.19611	2.5
387.18158	26.9
388.18555	3.0
405.19040	12.5
423.18781	3.1
433.17191	1.9
435.20093	1.8
443.19568	3.1
461.20370	19.5
462.21124	1.9
552.65765	1.2
553.26202	1.7
569.25873	6.6
579.24213	22.4
580.24817	4.7
595.27405	5.2
597.25537	66.2
598.26050	6.9
605.26129	13.9
606.26178	2.3
623.27100	100.0
624.27423	16.1
641.28088	47.8
642.28015	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	641.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01904	1.2
52.24503	1.0
59.01384	15.7
61.98837	6.2
69.03447	2.8
71.01382	8.3
72.99287	1.2
73.02966	1.3
75.28351	1.1
80.02710	1.2
81.03455	2.7
83.01398	1.9
83.05045	3.1
85.02965	2.6
86.75377	1.1
87.00891	3.2
89.02462	5.0
95.05079	1.6
97.02962	7.3
98.22626	2.7
101.02436	5.7
102.35268	1.2
107.05059	1.7
109.06601	30.5
113.02483	3.5
119.03519	1.2
121.03041	1.1
121.06596	3.0
125.09741	2.4
135.08183	5.6
136.05342	2.4
142.02737	3.3
160.84161	1.7
161.04601	4.0
161.09822	2.1
163.11296	20.2
165.11305	1.3
169.12338	9.1
171.10297	1.8
179.05615	1.5
181.12383	5.8
185.11885	3.5
189.09122	1.2
191.05588	2.2
197.11845	100.0
198.12138	6.2
207.10268	85.1
208.10635	4.5
209.11871	2.7
220.42203	1.2
223.13408	1.4
225.11325	37.6
226.11710	2.4
228.70502	2.2
235.08252	4.1
253.09340	10.4
299.15207	2.1
325.21649	2.1
343.23077	2.4
359.22449	4.0
361.23746	1.9
369.20807	6.3
370.21005	1.8
377.23340	5.1
384.51566	1.3
387.21802	13.6
388.22308	1.6
405.22849	8.0
433.20795	2.5
443.19177	3.7
461.20288	15.7
462.21136	2.4
497.85486	1.2
595.31305	3.5
605.29303	3.3
623.30792	24.5
624.30682	4.0
641.31805	35.3
642.32208	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	642.242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	6.7
59.01388	63.4
61.98842	54.4
69.03477	7.1
71.01389	63.9
72.99323	10.1
73.02950	8.7
75.00896	11.4
80.96552	11.3
81.03469	8.9
83.01384	6.2
83.05024	19.7
84.99712	5.4
85.00401	5.6
85.02943	30.1
87.00895	11.1
88.98820	31.2
89.02462	21.7
95.01398	7.6
95.05041	8.5
96.96000	6.4
97.02962	19.8
97.06582	7.5
99.00925	6.4
99.04545	5.5
101.02455	27.5
105.03465	7.3
109.06606	21.5
113.02468	95.3
117.03526	6.5
119.05050	8.3
123.04584	7.9
123.08142	5.5
125.06044	6.0
125.09766	11.0
133.02986	49.2
133.06625	7.9
134.03769	16.5
134.04814	9.0
135.04520	18.6
135.08186	16.4
137.02425	11.5
145.03026	12.1
150.06908	5.7
151.07640	6.7
153.09190	10.0
156.84459	5.8
160.01593	5.6
161.02481	15.4
161.04587	32.8
161.05995	8.3
163.04021	18.5
163.11317	19.7
171.10359	6.5
177.01961	44.2
178.02684	38.0
179.03540	7.1
179.05682	9.9
179.07188	40.7
181.08769	32.8
187.04198	6.5
191.03625	13.0
191.05530	7.5
197.08189	31.0
197.11909	8.3
199.09766	9.6
207.10240	39.8
208.10609	7.8
209.11879	100.0
220.03812	53.8
225.11375	79.7
226.06358	10.3
226.11690	8.5
227.12930	24.9
231.10266	8.5
235.08232	9.1
250.04834	25.0
253.09236	22.3
257.08414	6.7
275.09204	44.8
280.05914	13.4
285.55551	5.7
287.95071	5.5
307.11777	14.0
317.10318	41.2
323.12912	8.4
347.11395	36.0
348.11819	6.9
349.12988	12.6
377.12408	32.4
437.14508	12.7
461.20358	15.2
462.20590	9.9
481.31442	7.3
598.26080	14.8
607.27576	8.6
624.26898	33.0
625.28644	24.2
642.27905	31.6
643.29681	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	643.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03706	0.9
57.46950	0.9
59.01387	17.6
61.98830	4.6
63.32278	1.0
69.03464	1.3
71.01385	9.2
71.05036	1.0
73.02935	2.3
75.00871	1.5
80.02669	2.1
80.96540	1.7
81.03463	4.3
83.01411	0.9
83.05030	12.3
85.02966	4.9
87.00901	1.9
89.02454	3.3
91.41599	1.0
93.03456	1.3
95.01385	1.4
95.05032	4.5
97.02952	2.5
97.06601	3.9
98.22581	1.4
99.00903	2.1
101.02438	7.2
107.05070	1.5
109.06601	9.1
110.03699	1.4
111.04556	1.6
113.02471	4.2
117.07106	4.0
119.03519	0.9
121.06582	1.0
123.04529	4.6
125.06077	1.2
125.09744	2.5
127.49543	0.9
131.05060	1.0
133.06604	2.7
135.08168	17.0
142.02733	1.3
143.03523	1.0
151.07669	2.8
153.09227	4.6
161.04565	2.8
161.06078	2.9
163.07602	1.2
163.11304	9.4
165.12921	2.2
171.10265	5.7
173.09787	1.3
179.05905	1.2
179.07150	28.4
180.07542	1.9
181.08748	16.3
181.12329	2.0
185.11795	1.9
189.09273	1.4
197.08244	8.8
197.11794	3.4
199.09750	2.6
207.10283	19.6
208.10623	1.8
209.11856	100.0
210.12151	5.6
217.08714	1.1
225.00699	1.1
225.11336	16.4
226.11586	2.5
227.12973	15.9
228.13353	1.2
235.08263	2.9
247.13419	1.3
253.09286	16.5
327.19855	1.3
345.20770	1.5
371.18781	2.5
379.21460	1.2
389.19690	2.8
407.20804	1.2
433.17432	2.2
443.19348	1.7
461.20157	5.3
462.20483	1.3
597.29034	1.6
599.27179	1.6
607.27795	6.8
625.28394	11.8
626.28320	2.3
643.29663	22.8
643.40063	2.3
644.29724	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	643.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03706	0.9
57.46950	0.9
59.01387	17.6
61.98830	4.6
63.32278	1.0
69.03464	1.3
71.01385	9.2
71.05036	1.0
73.02935	2.3
75.00871	1.5
80.02669	2.1
80.96540	1.7
81.03463	4.3
83.01411	0.9
83.05030	12.3
85.02966	4.9
87.00901	1.9
89.02454	3.3
91.41599	1.0
93.03456	1.3
95.01385	1.4
95.05032	4.5
97.02952	2.5
97.06601	3.9
98.22581	1.4
99.00903	2.1
101.02438	7.2
107.05070	1.5
109.06601	9.1
110.03699	1.4
111.04556	1.6
113.02471	4.2
117.07106	4.0
119.03519	0.9
121.06582	1.0
123.04529	4.6
125.06077	1.2
125.09744	2.5
127.49543	0.9
131.05060	1.0
133.06604	2.7
135.08168	17.0
142.02733	1.3
143.03523	1.0
151.07669	2.8
153.09227	4.6
161.04565	2.8
161.06078	2.9
163.07602	1.2
163.11304	9.4
165.12921	2.2
171.10265	5.7
173.09787	1.3
179.05905	1.2
179.07150	28.4
180.07542	1.9
181.08748	16.3
181.12329	2.0
185.11795	1.9
189.09273	1.4
197.08244	8.8
197.11794	3.4
199.09750	2.6
207.10283	19.6
208.10623	1.8
209.11856	100.0
210.12151	5.6
217.08714	1.1
225.00699	1.1
225.11336	16.4
226.11586	2.5
227.12973	15.9
228.13353	1.2
235.08263	2.9
247.13419	1.3
253.09286	16.5
327.19855	1.3
345.20770	1.5
371.18781	2.5
379.21460	1.2
389.19690	2.8
407.20804	1.2
433.17432	2.2
443.19348	1.7
461.20157	5.3
462.20483	1.3
597.29034	1.6
599.27179	1.6
607.27795	6.8
625.28394	11.8
626.28320	2.3
643.29663	22.8
643.40063	2.3
644.29724	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	643.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20414	0.6
50.74805	0.7
52.92485	0.6
58.00569	0.8
59.01379	5.6
61.98824	3.5
70.04926	2.5
71.01384	4.6
72.22112	0.7
75.85611	0.8
83.05035	5.4
85.02930	1.0
87.00856	1.1
89.02451	3.0
95.05052	1.2
96.95998	1.7
97.06603	1.0
101.02435	3.1
103.54009	0.9
109.06641	1.0
111.00896	0.8
113.02428	2.8
116.92879	1.2
121.58221	0.9
135.08197	1.5
153.12802	1.0
161.04628	1.3
163.11288	3.2
165.12892	1.4
169.12372	4.9
171.10258	2.4
179.07051	1.0
179.30659	0.8
181.08752	1.3
187.09633	0.9
189.94975	0.7
191.05690	1.1
197.11845	79.5
198.12189	4.2
199.13463	4.5
207.10263	3.3
209.11842	100.0
210.12169	7.4
223.13403	0.7
225.11365	1.7
226.11711	0.8
227.12930	20.1
228.13216	0.9
235.08282	2.7
235.13332	1.3
253.09279	11.5
323.57831	0.9
389.23303	1.1
433.20749	2.2
445.20627	1.2
463.21674	1.8
607.30743	1.3
613.08734	1.0
616.00470	0.9
625.31366	1.0
643.31183	1.4
650.16254	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28014	2.2
59.01395	2.5
69.90083	8.8
71.01379	2.7
73.02950	45.0
74.22663	2.2
78.99954	2.1
89.63583	2.1
98.21914	3.8
128.15443	2.3
159.10283	100.0
160.10612	4.8
178.93619	2.3
189.18430	2.2
202.93024	2.4
277.21835	3.8
374.24329	2.7
643.34747	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	643.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77385	0.8
56.65128	0.7
57.03447	1.3
59.01386	14.5
61.98837	5.9
69.03452	2.6
70.31306	2.5
71.01386	7.2
71.92443	0.8
73.02953	2.1
75.00859	1.7
80.02689	1.2
81.03455	3.1
83.05042	3.8
84.02157	1.4
85.02962	5.2
87.00867	2.2
88.98772	0.9
89.02459	2.8
93.03468	2.8
95.01384	2.2
95.05039	6.2
96.04579	0.9
96.96035	2.9
97.02949	4.2
97.06594	1.9
99.00894	1.2
99.04523	1.2
101.02462	3.5
109.02949	2.2
109.06593	19.5
110.03742	2.8
110.06895	1.0
111.00860	1.0
111.04558	1.5
113.02458	11.5
117.03519	0.9
119.03494	0.8
119.05048	2.4
121.06606	2.2
123.04516	1.6
125.09731	1.2
133.02948	4.5
133.06609	1.8
134.03738	2.0
135.04527	1.9
135.08188	3.7
136.01666	1.6
137.02446	2.0
145.02985	3.1
145.10172	0.8
147.08180	1.1
151.11256	1.1
153.12842	0.8
161.02475	1.2
161.04594	2.1
161.05995	1.8
161.09708	1.7
163.04076	1.5
163.11293	16.0
171.10274	1.4
177.01994	2.0
178.02682	1.7
179.07161	2.0
179.10837	1.3
181.08736	2.4
181.12384	4.6
187.04079	1.2
187.07579	0.9
189.09258	5.5
191.01385	0.7
191.05672	1.2
197.08321	1.3
197.11774	1.9
201.09322	1.6
205.04994	1.3
207.10278	40.5
208.10602	3.2
209.11850	8.0
220.03709	2.5
225.05647	2.2
225.11330	100.0
226.06439	3.5
226.11674	6.5
227.06929	1.4
227.12886	1.9
229.08769	1.6
250.04961	1.2
253.09158	1.4
273.07672	1.7
317.10239	1.1
323.12912	1.5
339.08704	1.1
410.22418	0.9
417.25095	2.2
436.09756	0.9
461.20187	1.0
536.43060	0.8
625.27716	2.3
643.28625	2.5
644.19855	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	645.219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88987	2.5
55.01857	3.4
55.51785	2.4
57.03449	2.8
59.01381	34.4
61.98828	34.4
68.99818	10.7
69.07475	8.7
69.07898	16.6
71.01382	26.9
72.99314	5.1
81.03466	4.9
83.01387	7.2
83.05018	5.4
85.02957	34.5
87.00856	14.2
89.02456	9.9
94.98086	3.8
95.01397	4.2
97.02946	3.3
99.00909	4.2
99.04518	4.3
101.02459	20.4
109.02931	3.2
109.06578	6.7
111.00884	15.3
113.02441	17.6
119.05160	2.8
121.02900	5.4
125.09776	3.0
127.04057	5.3
129.01950	73.1
133.02979	15.6
134.03745	6.1
135.04520	9.6
135.08171	3.3
153.19179	2.6
158.07408	4.2
159.03102	2.9
159.04489	5.2
161.02472	34.1
161.04527	4.1
162.03113	3.7
163.11255	4.4
171.04570	5.0
172.05330	7.7
173.06091	9.2
177.01880	5.4
179.03485	4.9
179.07098	3.3
179.44826	3.2
181.08717	6.2
183.04538	10.3
183.10240	2.4
185.06172	4.9
186.06886	14.5
187.03947	4.2
187.07639	15.8
189.05571	2.9
197.06120	9.6
197.11858	5.2
198.03249	6.8
199.03961	7.2
199.07675	6.4
199.09763	6.0
200.04836	12.7
200.08472	3.2
201.05539	6.8
201.09253	13.6
201.11295	7.0
207.10287	11.8
209.05991	3.6
209.11940	13.1
210.12210	4.0
211.04037	10.7
211.07671	8.6
212.04749	6.5
212.08316	3.9
213.05499	5.1
213.09120	3.7
214.06398	15.2
215.07135	100.0
216.07634	5.4
224.04819	10.6
225.05568	19.7
225.09254	4.2
225.11356	7.1
226.02745	4.1
226.06276	5.0
226.10005	5.9
227.03510	11.4
227.07153	8.8
227.10703	7.9
227.12912	8.5
229.08698	26.9
230.09215	3.6
231.06544	7.2
232.03601	3.0
237.05652	6.0
239.03452	6.7
239.07004	3.9
252.07941	9.4
253.05116	6.6
253.08714	39.3
254.09253	5.2
255.06717	18.5
255.13947	18.9
256.07410	12.0
257.08142	7.5
267.10254	7.4
268.11002	15.8
269.15527	3.1
270.12592	5.4
273.08051	4.1
281.08212	4.7
281.11908	3.0
281.15427	3.2
283.13452	15.2
291.07211	6.3
295.09793	6.9
296.10324	7.6
297.15005	4.6
299.13013	4.9
299.16434	10.4
305.17383	3.1
309.15002	5.9
311.12833	12.0
316.09421	3.6
324.09900	3.7
325.14441	9.8
327.12628	4.8
327.16061	6.5
343.15421	10.6
353.13943	46.4
354.14346	3.6
371.14954	17.3
385.11902	3.0
395.14813	4.2
413.16193	5.5
446.14877	23.0
456.04367	2.8
461.20456	3.2
473.18295	4.8
504.16464	6.5
505.14706	3.7
515.19281	13.7
524.10474	3.8
533.19971	13.3
548.15533	9.7
549.15228	17.0
573.23047	4.2
601.22858	16.9
602.22418	4.0
627.29114	6.6
645.21710	86.4
645.30615	7.8
646.22015	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	645.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23691	1.3
59.01130	2.0
59.01388	22.5
60.99285	1.4
61.98830	13.3
70.10352	2.1
70.10738	3.1
71.01385	12.1
73.02943	3.7
81.03442	1.9
83.01401	3.4
83.05026	9.4
85.02969	9.1
87.00892	2.9
88.98803	9.7
89.02449	4.7
89.03976	2.5
95.01395	2.9
95.05038	4.6
96.04567	5.8
97.02952	3.2
97.06589	2.2
98.21719	1.2
99.00884	2.5
101.02459	5.9
105.03459	8.3
109.02965	2.1
111.00893	1.6
111.28598	1.3
113.02470	15.1
117.03467	4.4
119.03463	1.4
121.02949	1.9
123.04556	2.7
129.01901	2.9
132.02162	3.2
133.02975	53.7
134.03770	23.2
135.03638	2.1
135.04561	27.0
135.08209	3.2
137.02464	7.0
139.04010	2.5
143.07175	1.9
145.03035	1.5
146.58156	1.3
147.04544	1.3
148.04057	1.3
149.06129	1.7
159.04436	1.7
160.01637	3.8
161.02461	100.0
161.04617	4.0
162.02925	4.4
163.04059	2.0
163.11307	2.8
165.12885	2.1
171.04550	1.6
171.10301	3.7
172.05354	1.6
175.03870	2.0
176.04813	1.8
177.01987	11.3
178.02771	6.7
179.03528	12.8
181.08707	30.6
181.10240	2.2
182.09114	2.5
185.12030	1.3
187.07642	2.1
189.05391	1.5
191.03482	3.5
194.02171	1.4
199.09804	8.9
199.13452	1.8
201.05864	1.4
203.03552	3.4
209.11853	77.1
210.12230	4.2
215.07123	5.6
220.03731	7.9
221.04518	1.4
227.12912	20.0
229.08597	2.6
229.14122	1.3
231.10277	20.7
235.08154	2.7
237.08937	1.3
250.04851	2.8
253.09290	8.0
255.06345	1.5
255.14046	1.9
257.08273	5.2
275.09314	22.2
280.05875	2.0
317.10327	5.0
347.11377	3.7
353.13861	4.3
371.14780	1.3
377.12552	3.5
387.14117	5.9
388.12396	1.8
422.57993	1.3
437.14624	1.7
438.11743	2.2
446.14618	60.4
447.15030	5.6
490.13507	2.7
504.17523	23.9
505.17053	4.2
526.69232	1.5
536.16650	1.5
547.15527	7.3
548.16522	26.2
549.15729	9.6
601.22723	4.5
602.23425	2.0
614.64380	1.4
627.30194	2.7
645.22784	35.3
645.38873	1.7
646.22070	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20573	2.4
55.01867	3.0
59.01384	35.2
60.99304	5.8
61.98835	55.4
68.99812	2.3
69.62959	5.2
69.63363	11.4
71.01100	2.3
71.01392	23.6
71.92584	2.3
72.99288	3.0
73.02951	8.2
74.73385	2.2
75.00847	3.5
79.67151	2.2
80.05045	2.3
81.03463	4.6
83.01375	4.0
83.05030	8.3
84.01217	2.2
84.02160	2.8
85.02966	19.2
87.00893	3.1
88.98810	24.1
89.02447	6.4
95.01359	5.4
96.04564	6.3
97.02959	5.4
97.06573	2.8
98.21848	4.7
99.04509	2.9
101.02446	14.0
105.03481	8.6
111.00889	4.4
113.02457	34.4
117.03451	6.7
119.03464	2.9
119.05042	2.9
123.04517	2.4
125.02485	4.0
125.09693	3.1
129.01950	7.8
133.02969	67.6
134.03767	26.3
135.04559	24.6
137.02480	6.1
139.03960	3.3
143.03499	3.4
144.32056	2.1
145.02983	4.2
150.03351	2.2
151.04041	3.1
160.01677	5.2
161.02457	100.0
161.04579	8.9
162.02988	4.6
163.03941	2.9
165.12854	4.3
171.10266	9.0
174.03264	2.6
175.03951	3.8
177.01971	20.5
178.02678	14.5
179.03499	19.3
181.08702	13.6
183.10252	13.3
187.07620	2.7
191.03499	7.2
191.05565	3.2
195.02763	2.9
197.06096	3.4
199.07932	4.1
199.09749	34.3
199.13419	7.9
203.03571	3.2
209.11856	78.8
210.12297	4.5
213.05652	3.0
213.64108	2.6
215.07043	3.7
220.03767	16.1
225.09196	5.8
225.11243	3.8
227.12888	36.0
229.08838	2.8
231.10204	15.0
239.07115	2.7
250.04854	7.1
253.09206	11.2
254.09650	3.7
255.10547	2.5
255.13991	5.6
257.08130	4.7
275.09271	24.7
280.05920	4.0
282.08963	3.0
283.13501	5.1
293.10452	4.5
299.12701	3.2
309.11191	2.9
309.14954	4.2
311.12915	3.6
317.10434	12.5
318.71024	2.9
327.12299	8.0
340.07809	2.8
347.11401	9.4
353.13922	22.8
354.14368	3.1
367.11542	3.3
371.14877	7.4
373.20215	2.6
377.12698	6.7
380.51987	3.3
387.14026	5.7
435.18613	2.7
446.14578	61.2
447.14920	6.0
489.17474	2.5
490.13617	3.4
504.17618	23.0
505.17169	4.0
546.84241	3.0
547.15924	5.1
548.16406	26.3
549.15472	8.5
557.20245	5.3
590.53723	2.6
601.19635	6.8
609.29126	4.4
645.22479	45.5
646.22089	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.0
58.00592	0.9
59.01384	16.3
60.99320	1.4
61.98553	0.9
61.98836	12.0
68.99828	0.8
69.03485	1.0
69.22144	6.0
71.01382	8.7
72.99294	1.3
73.02929	2.4
75.00861	1.7
80.02677	1.3
81.03448	2.0
83.01396	2.1
83.05027	13.8
84.02163	1.4
85.02956	6.3
87.00873	2.4
88.98811	10.6
89.02463	4.2
89.03977	0.8
93.03470	1.4
95.01382	1.2
95.05026	2.5
96.04567	2.0
97.02980	1.7
97.06552	1.3
99.00900	1.2
101.02438	5.2
105.03474	2.6
109.02945	0.7
109.06633	3.4
111.00900	2.0
113.02460	8.7
117.03507	1.3
119.03481	1.0
123.04488	0.7
125.06088	1.1
125.09754	0.8
127.04045	0.9
129.01953	2.6
132.02167	1.5
133.02965	19.1
134.03790	7.0
135.04568	7.5
135.08183	3.1
137.02473	1.9
137.09688	1.4
139.04047	1.0
143.07159	1.5
145.02991	0.8
155.10803	0.7
159.04472	1.2
160.01654	1.2
161.02463	26.2
161.04428	3.5
162.03033	0.9
163.04037	0.8
163.07674	1.3
163.11276	2.7
165.12883	2.0
167.14452	2.4
171.10277	4.7
173.03593	1.0
173.06067	1.2
175.03966	1.1
177.01938	5.5
177.06725	1.9
177.09221	0.8
178.02721	2.8
179.03505	4.6
181.08717	40.7
182.09021	1.7
186.03400	0.7
187.04007	0.8
187.07660	1.3
189.05574	1.0
191.03508	1.5
191.10759	1.1
199.04076	0.7
199.09752	11.1
199.13383	2.7
200.04872	0.8
201.11247	1.2
203.03552	1.7
207.10307	1.0
209.11841	100.0
210.12177	6.7
211.13419	2.6
214.06299	1.0
215.07185	2.3
219.10185	0.8
220.03815	5.0
221.04428	1.0
225.09290	1.0
225.11409	1.3
227.12903	19.4
228.13219	1.1
228.32213	0.8
229.08688	1.3
229.14459	2.3
231.10277	4.2
235.08237	2.8
247.13463	1.3
250.04813	1.9
253.09288	10.4
255.06610	0.7
255.14055	1.0
257.08218	1.9
275.09207	6.7
311.12949	1.3
317.10272	3.8
327.12592	1.2
347.11523	1.9
353.14020	4.0
371.15384	0.8
373.20364	1.2
377.12567	0.9
387.13907	2.0
391.21490	1.5
420.15729	1.2
445.20782	0.8
446.14587	18.7
447.14948	1.8
463.21884	1.7
484.29422	4.8
490.13321	1.1
504.17398	7.3
505.17386	0.9
547.15417	1.7
548.16486	5.2
549.15210	4.3
601.22919	3.1
609.29333	2.1
627.29968	2.5
645.22363	9.5
645.31006	1.3
645.38947	1.0
646.22009	7.3
646.34045	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	647.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53844	1.7
69.16386	18.1
71.94495	1.8
75.28810	2.0
83.05053	2.4
89.83819	2.4
96.04515	1.9
96.08316	2.0
108.04594	4.4
120.04547	4.2
122.06171	3.5
124.07664	2.0
134.06104	3.4
136.07701	29.6
138.05614	7.5
148.04057	15.1
150.05612	6.8
152.07179	3.5
159.05684	2.6
160.03996	3.0
161.04855	4.5
161.07228	3.7
162.05629	7.4
164.03523	2.5
171.04593	2.9
172.05267	1.9
173.03569	12.5
173.06104	6.7
174.04327	15.5
174.05646	3.2
175.05124	12.0
176.05850	4.4
177.06721	8.0
179.08266	12.8
184.05286	2.2
188.07269	2.3
189.06693	2.7
193.79001	1.9
198.06920	16.3
199.07703	18.7
200.07254	6.0
203.04660	5.3
212.07040	2.5
214.08794	3.1
215.08258	7.6
216.08795	9.8
217.09845	18.5
227.05949	7.0
240.06671	3.6
241.07425	8.5
242.08249	54.9
243.07832	5.3
257.09256	6.3
258.10025	14.6
259.10925	17.2
285.08878	4.2
322.79602	1.9
335.24832	2.1
338.11557	4.1
366.18146	5.7
377.15012	5.5
395.16177	11.4
422.17169	13.5
423.15659	46.0
424.15836	7.3
440.18295	28.4
441.18564	4.3
466.16260	2.9
519.19226	2.5
520.19849	9.6
521.20056	2.1
585.23773	4.0
603.24652	100.0
604.24799	20.2
647.23450	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	647.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34072	1.8
59.01384	6.1
61.98836	100.0
62.46632	1.7
69.21964	14.5
71.01378	4.7
82.02982	4.8
83.95658	1.8
85.02950	6.7
89.02454	2.9
96.96041	3.0
100.04158	2.1
101.02443	3.1
108.04603	5.6
109.81792	2.2
113.02473	9.5
119.05080	1.9
120.04561	9.7
122.06157	6.3
125.36421	1.7
132.39381	2.1
133.03011	3.4
134.06133	4.8
135.04607	2.4
136.04044	2.0
136.07687	45.2
137.88855	1.8
138.05603	4.2
140.50250	2.1
146.06155	2.3
148.04045	27.0
149.04822	6.2
150.05653	16.4
160.04103	3.5
161.02417	4.4
161.04796	6.5
161.07246	2.4
162.05652	6.7
163.03987	2.6
164.03549	2.7
164.07181	2.8
171.04547	4.8
171.08186	2.9
172.05295	3.3
173.03587	15.5
173.06093	8.1
174.04343	24.3
174.05675	6.4
175.05145	8.5
176.05884	3.7
176.07260	2.3
177.06689	7.4
179.08290	20.4
184.05319	3.0
188.07216	2.5
189.06799	9.1
198.05373	2.6
198.06927	15.1
199.06352	2.0
199.07704	17.5
200.07193	4.0
212.07233	7.3
214.08763	7.0
215.08234	9.1
216.07227	2.7
216.08882	11.9
217.09827	15.9
240.06688	4.0
241.07330	5.8
241.09705	3.3
242.08270	22.5
243.08333	2.0
254.08282	4.6
257.09271	6.5
258.10165	10.9
259.10837	14.9
283.13574	2.4
285.09033	4.1
285.12439	7.0
310.12082	5.4
351.98178	2.3
352.16666	4.8
353.13870	4.6
356.12622	5.8
365.14993	2.3
366.18027	2.1
377.15097	28.5
378.15335	5.5
379.16660	2.3
394.17612	24.9
395.16388	5.1
398.17239	3.9
420.15942	3.5
423.15686	49.1
424.15771	6.4
425.17090	2.5
440.18314	67.4
441.18628	7.1
466.16339	7.8
467.15683	2.2
485.16721	2.3
519.19257	3.2
520.19617	15.8
521.19470	3.2
557.24017	18.3
558.24280	3.1
561.23877	3.9
603.24677	98.0
604.24768	20.1
647.22382	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	647.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11860	1.8
61.98814	3.0
69.09345	17.1
82.03004	2.2
83.05042	3.1
98.59676	1.6
108.04607	3.3
110.06106	2.6
120.04572	6.7
121.05305	1.6
122.06139	5.0
134.06142	3.9
136.04089	2.1
136.07700	45.2
137.08014	3.2
138.05583	7.9
148.04073	16.7
149.04828	1.6
150.05609	8.3
152.07137	2.3
159.05745	2.3
160.04099	5.6
161.04849	11.9
162.05669	7.9
164.07237	2.4
168.06653	1.8
171.04610	2.3
171.08183	2.1
172.05283	1.8
172.07709	4.5
173.03566	11.7
173.06067	2.3
174.04335	17.8
174.05669	7.0
175.05136	14.2
176.05910	6.7
176.07265	3.5
177.06715	12.5
179.08279	19.7
188.07187	6.1
189.06709	9.5
198.05351	3.1
198.07086	10.3
198.08704	1.6
198.09109	1.6
199.06139	2.9
199.07845	10.3
200.07213	9.7
202.03842	3.4
203.04683	6.9
212.07130	2.1
214.05064	2.4
214.08731	9.1
215.08356	5.4
216.08907	8.6
217.09799	22.6
224.07310	4.0
226.17036	2.0
227.05923	11.9
239.08192	1.8
240.06712	6.0
241.07607	11.8
242.08276	67.9
243.08334	5.1
257.09363	7.3
258.10080	16.3
259.10931	28.8
285.08875	8.1
336.10153	3.4
338.11652	3.8
339.12585	1.9
353.10245	2.2
356.12311	2.1
377.15167	7.1
378.15067	2.1
395.16129	20.2
405.14426	3.2
421.16602	4.0
422.17191	16.3
423.15649	85.1
424.15939	10.9
440.18250	32.6
441.18875	3.3
466.16354	3.7
520.19751	15.5
603.24664	100.0
604.24982	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	647.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	5.8
59.01382	15.4
61.98843	13.9
71.01382	17.0
71.29185	1.4
75.64535	1.5
83.01378	4.2
85.02956	38.1
85.03477	2.2
86.03276	1.8
87.00877	5.6
89.02438	4.4
95.01389	2.7
95.05003	2.0
96.04507	1.5
96.96012	3.5
97.06596	1.5
98.21700	3.6
99.00901	3.3
101.02458	5.2
105.03465	2.3
110.90269	1.5
111.00871	3.3
112.01688	3.5
112.98550	3.9
113.02460	100.0
114.02772	2.4
123.04525	3.9
123.07742	1.4
124.81633	1.3
125.02452	2.2
132.02193	2.3
133.02972	26.8
134.03305	3.1
135.04520	9.1
135.08157	1.8
137.02429	5.0
139.03941	2.2
143.07137	1.8
146.03755	2.9
147.04520	4.7
151.03951	1.8
154.43846	1.5
158.03752	2.0
159.04443	2.6
160.01677	2.1
161.02443	39.0
162.02780	11.2
167.03531	1.6
171.04504	1.7
171.10243	3.7
172.05304	3.8
173.06003	2.9
174.03159	1.6
174.06799	2.7
175.03961	4.8
175.07623	2.5
177.01949	4.5
177.05589	1.7
177.09210	1.6
178.02756	3.9
179.03552	8.1
179.05609	1.7
183.04485	3.9
185.06075	1.7
186.06908	9.2
187.03915	2.6
187.07680	7.8
188.07901	1.6
189.05536	3.4
191.07175	1.8
193.08807	1.7
197.06023	1.7
199.04008	3.3
199.07722	1.8
200.04793	3.1
201.05650	3.7
201.09138	6.6
201.10884	1.9
202.06247	2.2
203.03522	3.4
203.07130	3.4
205.08600	2.0
207.10260	2.5
209.11835	1.5
211.07642	1.9
212.08463	1.9
214.06262	5.5
215.07138	17.5
220.03677	2.6
224.04732	2.2
225.05522	2.9
226.10031	1.9
227.03447	6.2
227.07155	4.4
228.07870	2.4
229.08688	14.1
230.09396	5.6
232.07431	8.7
233.08124	5.3
239.03479	2.1
247.09726	3.6
249.11403	4.0
252.07909	2.2
252.11745	1.7
253.08708	6.5
255.06622	6.6
255.13896	7.4
256.07312	8.6
257.08109	3.5
267.10367	1.8
268.11102	2.3
270.12494	1.8
273.07672	4.5
274.08475	4.9
283.13336	4.3
297.14978	1.7
299.16574	4.7
309.14883	1.6
311.12909	4.4
315.08978	1.7
322.06876	2.1
325.14572	5.3
327.15985	7.0
329.14005	3.6
340.08124	2.6
353.14001	9.0
369.13272	2.2
371.14651	8.7
395.15012	3.1
413.15997	4.7
436.09250	2.6
436.14307	4.5
446.14520	9.3
447.14850	19.5
448.15112	2.7
467.20886	2.3
473.18201	4.3
491.13885	3.7
506.16510	2.6
532.15643	5.3
533.20221	33.3
534.20715	4.9
549.14874	5.0
550.15369	19.9
551.16016	3.8
629.22626	2.6
647.22424	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.3
57.03442	6.7
59.01382	18.4
61.98834	81.3
71.01391	16.9
71.29929	3.0
78.91887	4.4
80.64825	2.1
83.01374	3.1
85.02958	37.4
87.00912	4.9
87.85355	2.7
88.61052	2.3
89.02446	5.2
92.95802	2.1
93.03451	3.1
94.03001	5.4
95.05005	2.7
96.96017	27.4
99.00866	5.1
101.02455	8.0
105.03458	4.3
110.02443	3.3
111.00884	4.3
112.01729	2.7
113.02457	100.0
114.02784	4.0
117.03476	3.1
119.03503	3.7
124.04081	2.8
125.02444	2.9
133.02971	35.4
134.03737	2.7
135.04570	11.7
135.05400	2.1
136.04778	2.4
136.07687	22.5
137.02428	8.5
139.03940	2.1
145.02969	2.6
147.04448	2.8
159.04517	3.9
160.01657	6.1
161.02452	37.7
161.04578	5.2
161.06053	2.7
161.07248	14.9
162.02806	12.1
162.05641	3.9
163.03966	2.8
166.08759	4.8
172.05284	4.0
173.07227	11.0
174.03189	4.3
175.04010	6.9
176.04846	2.5
177.01877	9.1
178.02745	6.3
179.03456	8.6
183.04434	3.2
186.06839	6.3
187.04048	4.5
187.07634	10.4
189.10315	8.8
201.05525	5.6
201.09312	3.4
201.11343	4.7
203.07010	5.4
205.08765	2.5
209.11879	3.3
210.07806	3.4
213.06746	10.4
213.10303	20.0
214.06407	2.8
214.11032	10.9
215.08401	69.0
216.08582	4.1
220.03876	4.1
227.03537	4.0
229.08745	10.3
231.02872	2.9
231.10254	3.6
232.07405	8.4
233.09560	5.1
239.08392	11.7
240.09026	10.3
241.09863	39.5
242.10425	7.2
243.11273	3.6
247.09700	4.5
249.11462	5.2
252.07845	3.4
253.08847	6.6
255.06575	3.9
255.13814	4.4
256.07388	4.8
267.07794	34.7
268.08481	36.9
268.11081	3.8
269.09235	11.9
273.12509	7.8
275.09338	3.6
280.05756	2.3
283.13324	3.9
285.08896	12.3
286.09579	11.9
299.10376	55.2
299.15976	2.7
311.12781	5.6
317.11386	13.1
325.14499	2.7
327.16000	6.6
329.14023	9.2
341.08530	2.9
343.15439	6.7
353.13947	9.5
362.18866	3.4
371.14996	14.4
388.16809	11.4
406.17691	5.2
413.16272	3.6
434.17230	85.6
435.17441	10.4
436.13916	5.0
446.14392	8.5
447.14969	16.0
448.15140	2.9
452.18256	21.5
466.19836	36.5
467.20313	5.0
473.18707	3.0
484.13849	3.4
484.20938	66.3
485.21136	9.1
533.20313	16.7
534.20782	4.6
536.14319	3.7
545.54303	2.5
549.14624	4.8
550.15625	20.0
551.15802	6.0
615.24341	2.9
629.22308	10.5
647.28040	64.8
648.28131	13.8
661.66541	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	647.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00588	2.3
59.01125	3.2
59.01385	36.0
61.98828	14.2
69.24434	7.0
69.24856	12.2
71.01385	23.8
72.99291	2.8
78.91221	2.1
85.02955	5.5
89.02446	26.5
92.65105	2.2
98.21741	3.1
101.02442	15.7
113.02458	9.6
119.03542	11.6
119.05032	2.4
143.03564	2.5
145.02956	4.9
166.01012	2.1
197.00902	2.1
323.13486	100.0
323.17392	4.7
324.13803	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	647.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32867	0.7
51.56206	0.7
55.01866	2.7
57.03447	1.2
58.00594	2.5
59.01384	48.9
60.79313	0.8
61.98828	2.6
69.03446	2.3
71.01388	45.2
72.01714	1.1
72.99311	4.5
73.02950	7.0
79.69984	0.6
81.03467	2.3
83.01390	6.3
83.05018	1.3
85.02955	11.5
87.00880	10.8
89.02451	36.9
91.04019	1.0
95.01402	3.2
97.02964	6.2
99.00905	2.4
101.02451	34.3
102.47000	0.8
109.02940	1.4
111.00880	1.0
111.04517	1.2
113.02453	16.6
115.03961	0.8
119.03511	11.4
121.02922	0.8
125.02450	13.9
127.04106	1.0
131.03516	2.6
143.03520	6.7
149.04565	0.9
161.04581	10.0
167.03557	1.9
179.05608	7.7
205.19707	1.5
207.59253	0.8
221.06631	2.7
229.95280	0.8
231.17567	1.3
235.08220	16.0
249.18610	100.0
250.18985	6.7
253.09294	5.1
263.07672	1.9
277.09247	0.9
287.07700	2.7
305.08792	2.9
319.77060	0.7
323.09885	1.3
379.12442	1.7
397.13538	81.4
398.13913	7.1
415.14603	35.0
416.14835	2.8
455.70142	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	9.3
59.40564	2.8
61.98828	17.1
68.73470	2.9
69.07185	21.8
69.07587	7.3
71.01377	4.7
71.37710	2.6
72.35281	2.7
82.02976	11.4
84.05434	3.0
96.96049	5.5
108.04528	4.0
112.04034	3.6
113.02465	5.8
120.04527	6.1
122.06126	5.9
126.32287	3.4
136.07706	12.0
138.05650	4.0
147.03227	4.4
148.04056	32.0
149.04842	14.1
150.05615	38.1
151.05910	5.5
154.05145	4.8
160.04050	6.0
161.04811	17.0
161.65579	2.9
162.05530	5.0
163.02684	4.4
164.03564	11.0
164.07175	3.5
166.08701	3.6
172.07651	3.1
173.03593	11.8
173.06046	4.1
174.04372	28.6
174.05666	4.0
175.05063	16.9
184.77434	3.1
186.05553	3.2
189.06764	14.0
190.07484	48.1
191.05769	6.8
191.08296	6.5
199.07680	5.3
200.07231	8.6
201.07933	5.5
202.07436	9.8
202.08984	5.0
203.08252	18.6
214.08694	3.6
214.11093	4.8
215.08240	9.4
216.06818	6.3
216.08813	5.0
217.06342	5.4
217.09795	8.4
218.10313	3.3
228.06749	3.5
229.06146	35.9
230.06569	3.2
231.07793	26.9
232.08542	44.0
233.09398	14.0
238.10794	5.3
241.09834	5.7
242.08275	18.5
243.08414	12.6
243.11147	4.1
244.08485	14.9
244.09784	16.4
245.09360	9.2
247.07213	24.3
257.09448	3.5
259.10840	12.4
260.11420	3.2
262.09598	8.6
267.07700	3.4
274.09650	14.4
275.10364	4.7
285.08810	9.0
285.12332	5.7
286.09552	10.0
288.08737	3.4
303.10068	5.9
304.10797	7.1
305.11444	4.0
315.13651	10.5
327.09955	6.7
328.10858	7.2
345.11224	4.0
346.11600	13.3
347.12518	6.6
379.16672	9.1
398.17197	17.3
409.17804	11.5
410.12997	17.6
411.13779	3.8
414.16824	10.4
422.17163	5.2
423.15744	6.7
424.16254	6.3
425.17102	20.6
426.17383	5.2
434.17355	5.8
440.18134	31.4
441.18491	7.1
442.19284	3.4
452.18506	17.9
453.17227	8.8
454.16919	4.4
468.17722	8.0
470.19315	57.7
471.19385	5.9
486.18793	31.4
487.18985	7.0
494.19299	24.8
511.15732	3.0
512.20398	100.0
513.20807	17.4
605.25555	20.8
606.26373	5.6
631.23938	7.4
649.25616	29.5
650.25775	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	649.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36488	2.1
57.03463	2.1
59.01368	2.7
59.77947	2.1
61.98822	5.5
62.31076	1.9
69.25036	17.6
72.49404	2.0
82.02979	6.5
83.05050	3.2
108.04581	3.4
110.06111	2.8
112.04034	2.8
120.04570	6.5
122.06111	6.3
124.07733	2.7
129.05568	3.5
136.07686	11.6
138.05608	8.4
148.04059	44.1
148.07553	2.4
149.04761	6.8
150.05624	31.7
151.06009	2.2
152.07207	3.2
154.05089	3.7
160.04022	14.5
161.04845	46.3
162.05537	6.3
164.03526	4.1
168.06627	2.3
172.05266	2.1
173.03645	12.3
173.06090	9.8
173.09724	2.4
174.04324	14.2
174.05626	6.1
175.05128	39.1
176.05794	4.2
177.06657	3.2
186.05621	4.4
187.06317	3.2
188.07231	3.7
189.06720	12.8
190.05122	3.6
190.07526	13.1
191.08238	5.2
199.07654	4.7
200.07127	5.2
200.10765	3.9
201.07834	6.1
201.09409	4.9
202.08801	19.3
203.04561	4.8
204.06677	9.0
216.06609	4.1
217.09769	6.0
226.08659	5.0
228.06615	6.1
229.07414	5.3
231.07726	14.4
232.08533	17.5
233.09341	19.7
241.09865	4.0
242.08470	14.0
243.07954	4.3
243.08981	6.9
243.11334	3.6
244.09879	80.4
245.09596	8.8
259.07098	2.4
267.67493	2.2
268.08487	3.2
270.07849	3.5
285.08954	3.4
286.09604	5.0
287.10364	7.8
288.08801	6.4
290.16931	2.3
305.11362	13.2
315.13342	3.0
331.12958	3.9
338.11450	5.0
351.17258	3.1
357.14532	2.9
364.12897	2.4
379.16553	7.3
386.17303	2.6
413.61951	2.5
414.16562	6.8
425.17209	100.0
426.17343	19.4
450.16910	3.4
468.17874	32.5
469.17084	7.9
470.19000	4.3
486.18854	60.8
487.19131	9.2
512.20483	5.0
519.18921	4.2
571.21979	10.5
577.22980	2.6
605.25214	5.3
631.24274	10.4
649.25183	53.3
650.25598	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	649.252
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81920	2.0
58.37799	2.0
59.01370	7.7
61.98847	13.7
69.78812	2.0
69.97392	11.3
71.01370	3.2
82.02979	9.7
83.05040	3.5
85.02959	2.9
96.96029	3.9
98.21845	3.1
108.04522	4.4
110.06146	5.6
112.04079	4.1
113.02462	3.4
120.04536	5.9
122.06140	8.2
124.07677	2.7
129.05612	2.9
134.06126	4.6
136.07680	11.3
138.05617	12.3
147.03223	2.9
148.04056	37.0
149.04828	6.6
150.05612	37.2
152.07204	5.1
154.05145	4.0
158.06041	2.3
160.04024	11.4
161.04845	45.0
162.05637	9.3
164.03554	2.9
173.03598	13.8
173.04764	2.4
173.06096	8.8
174.04346	14.9
174.05650	7.8
175.03806	4.1
175.05154	35.3
175.06567	4.2
176.05887	3.1
179.19847	3.3
186.05640	5.9
187.06351	3.4
188.07234	3.4
189.06667	13.6
190.07445	12.9
191.08185	7.9
199.07622	4.8
200.07169	5.3
201.07831	5.9
201.09401	5.9
202.08794	17.3
203.04613	5.5
214.08907	3.2
214.10979	2.4
215.05754	2.6
215.08287	7.4
217.09688	2.6
226.08803	4.1
228.06728	4.6
228.10333	2.8
229.07538	3.6
231.07755	12.7
232.08533	19.9
233.09291	19.1
241.09868	5.3
242.08374	12.4
242.10370	2.4
243.09340	12.3
243.11250	3.2
244.09877	88.8
245.09557	9.2
258.11411	2.6
268.08615	2.9
285.08704	4.0
287.10413	7.4
288.08795	3.3
294.09302	2.9
295.06110	2.7
298.26462	2.5
305.11517	12.6
307.06464	3.1
322.08444	6.0
324.15771	2.6
325.10892	4.8
331.13293	2.5
337.10703	11.5
338.11417	5.2
351.17020	3.2
356.12628	4.2
379.16681	5.7
397.17599	3.9
398.17468	3.8
414.16647	8.1
425.17224	100.0
426.17294	19.0
440.18671	2.7
450.16763	5.7
452.18491	3.5
453.16980	3.3
468.17831	28.8
469.16638	6.3
470.19257	8.7
486.18842	62.8
487.19031	10.5
519.19312	2.8
577.22681	3.5
631.24438	11.7
649.25220	67.7
650.25934	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	649.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19683	2.5
54.20191	2.8
59.01394	4.2
59.16635	2.6
60.22699	2.8
61.98844	13.8
65.07681	2.5
68.47823	2.3
69.43195	12.4
69.43609	6.6
71.01391	4.2
71.37993	2.8
73.02952	4.6
74.69716	2.2
96.95982	3.2
97.51568	2.4
98.21790	5.2
108.04614	2.9
113.02464	3.4
119.20163	2.7
120.04559	12.4
122.06094	3.6
125.09743	8.4
134.06145	7.1
135.04509	2.7
136.07666	33.1
137.02492	3.1
138.05637	3.2
147.03276	7.6
148.04056	71.9
149.04771	11.3
150.05630	41.9
158.06067	2.9
160.04050	13.0
161.04779	12.2
162.05630	24.3
163.02788	3.6
164.03526	7.6
164.07208	3.3
166.08778	8.1
172.07704	3.8
173.03539	11.6
174.04376	33.5
174.05638	5.0
175.05101	14.6
175.08815	5.3
176.05890	12.9
177.06676	10.9
179.08258	5.6
186.05638	4.5
187.09805	8.1
188.07239	5.0
189.06723	9.1
190.05104	17.0
191.05917	29.1
191.08299	3.2
200.07222	6.4
201.06641	6.3
203.04564	7.4
203.08293	37.8
204.06680	70.4
204.08499	3.4
205.06950	5.8
215.08250	12.0
216.08910	13.0
217.09764	12.2
218.08331	4.6
219.07626	3.4
221.09438	3.4
227.08362	3.1
229.06180	44.1
231.07742	6.1
232.08372	3.9
238.10725	5.7
241.06212	9.3
241.09908	3.0
242.07085	12.7
243.05269	5.0
243.07599	24.8
244.08437	3.8
245.09425	3.9
247.07269	37.4
255.07828	3.4
256.08459	3.5
257.09326	5.5
258.10187	7.5
259.07346	5.7
259.10928	4.0
283.07166	4.8
284.08063	6.0
285.08984	3.9
285.12399	3.3
302.09000	4.0
303.09854	5.2
315.13568	23.0
320.09839	3.6
340.13071	13.2
357.14520	19.7
364.12985	18.9
368.16196	3.8
369.14496	7.8
379.16629	7.1
383.16000	3.6
386.17032	13.6
410.13589	32.5
411.13956	4.2
412.14648	4.1
414.16290	7.0
415.15216	9.0
421.16309	4.0
424.18839	12.9
425.17200	16.0
426.16788	14.1
468.17929	35.5
469.16534	6.6
486.18832	29.3
487.18915	3.8
531.22583	44.3
532.22449	3.7
549.23535	10.7
571.21997	100.0
572.22333	23.3
587.24908	8.5
589.22504	9.6
631.23920	11.8
649.25336	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71043	1.7
59.01368	10.5
61.98840	8.8
68.99809	1.8
71.01368	8.5
71.31396	3.8
77.80663	1.8
83.01402	2.5
85.02949	7.0
87.00866	3.3
89.02447	3.8
93.63509	1.9
95.49010	2.2
96.95989	4.7
97.55953	1.9
99.00871	2.5
101.02435	3.5
105.03451	4.5
111.00859	2.8
112.24384	2.1
113.02447	13.4
115.73924	1.7
124.07646	1.7
132.02187	3.2
133.02960	26.4
134.03754	3.9
134.06105	2.4
135.04494	2.2
136.06767	2.1
136.07703	24.1
137.02466	3.4
138.09267	6.2
146.03680	2.2
159.04622	2.6
160.01657	5.1
161.02423	8.1
162.05560	3.7
164.10814	18.1
174.03313	2.8
177.01970	12.0
178.02626	4.3
179.03461	6.2
182.68925	1.9
186.06819	2.8
187.07562	5.3
189.05650	2.7
189.10402	2.3
199.08795	5.7
199.12392	17.3
201.05435	2.7
201.09058	3.1
203.07083	3.3
205.08717	2.8
208.09863	17.7
211.13480	2.7
213.06773	11.2
213.13924	2.7
214.07733	9.6
214.11035	5.0
215.06987	7.1
215.08449	6.4
215.11885	6.8
221.04477	2.1
225.10320	16.7
226.10600	1.9
227.03571	2.8
227.08344	10.8
229.10040	17.1
230.09628	3.0
233.08118	3.1
238.11018	2.6
239.08238	3.3
239.11916	17.1
240.08980	7.8
240.12094	2.0
241.09843	40.3
242.10498	7.2
247.09935	6.6
254.10562	3.6
255.11473	10.7
268.08600	5.3
269.09259	11.6
269.12808	6.5
273.12341	2.2
275.13965	9.3
283.10681	2.9
283.13556	2.2
285.08774	3.8
287.13925	4.0
299.10373	12.9
301.11954	100.0
302.12219	6.1
308.17612	2.2
315.09708	3.7
319.13034	67.9
319.17014	3.6
320.13324	4.5
327.16135	4.3
329.13971	4.6
333.14743	2.6
334.10626	2.8
340.08002	3.1
341.08734	2.0
345.16971	6.9
362.18790	25.4
363.18970	3.5
371.15091	5.8
380.19714	3.4
389.16135	5.7
392.20099	2.2
394.21066	5.3
396.68051	2.1
406.17795	10.1
412.22046	2.2
431.16632	2.5
436.18781	4.0
438.11230	3.9
438.20325	36.5
439.20490	5.5
447.30560	2.2
456.21457	61.3
457.21658	7.5
468.21487	4.1
482.19388	14.6
486.22659	12.9
487.22263	2.3
529.52380	2.1
552.21667	2.3
619.27795	87.0
620.28174	17.3
649.28619	25.7
650.29004	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	651.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	17.6
67.74374	2.0
69.24274	19.2
69.24615	4.4
71.01389	17.4
73.02946	4.8
73.76150	2.2
83.01422	3.2
85.02950	5.2
87.00890	5.1
89.02448	14.5
93.03478	23.7
95.01366	2.4
100.18819	2.3
101.02451	11.1
111.00877	2.7
113.02424	12.6
114.46194	2.3
117.03454	13.4
119.03641	3.6
119.05046	79.9
120.05396	4.2
121.03037	4.2
131.05025	5.1
133.06615	13.8
135.04552	4.2
137.02440	10.6
139.00380	2.2
143.03384	2.7
143.05029	8.6
145.02971	56.8
145.06598	3.0
158.03868	2.6
159.04544	8.3
161.02184	2.3
161.04771	3.7
161.06079	20.2
163.04027	63.0
171.04520	2.4
173.06076	2.7
177.05643	3.4
179.05592	9.8
179.36092	2.4
187.04047	22.9
191.07161	3.2
202.98802	2.4
205.05064	24.3
210.06807	6.1
211.07661	75.9
212.07904	7.5
223.07674	27.9
224.08121	3.9
225.04068	5.0
235.06038	15.8
237.09267	11.1
239.10675	5.2
265.07047	14.1
265.08899	11.1
266.07449	2.9
283.09793	12.2
309.07727	8.0
324.04309	2.5
325.09680	9.2
327.08746	100.0
328.08945	6.3
369.09729	29.0
381.09744	3.0
399.10916	24.6
400.11005	3.7
411.10974	2.6
425.14584	10.3
429.11768	18.7
489.14182	11.6
651.18658	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89870	2.5
53.32356	2.3
59.01379	13.0
71.01369	13.1
83.01401	3.3
85.02960	6.2
89.02457	9.9
93.03461	18.9
98.21741	6.2
101.02438	12.1
111.00880	2.9
113.02457	10.2
117.03458	15.3
119.03648	3.6
119.05048	74.8
126.73025	2.6
132.05843	5.4
133.06592	15.8
133.54553	2.4
135.04515	3.0
143.05061	9.2
145.02968	68.7
145.06602	2.8
146.03285	6.0
157.01541	2.8
158.03802	4.3
159.04536	14.2
161.06096	22.2
162.06450	3.5
163.04041	48.7
164.07988	2.3
173.05991	3.8
175.66490	2.8
177.05693	4.3
179.05611	3.9
187.02486	3.9
187.04033	46.3
191.07111	4.2
205.05005	23.5
210.06827	4.2
211.07674	58.5
212.07953	2.7
217.05028	3.4
223.07643	35.5
235.05992	16.9
237.09283	12.2
239.10852	4.3
241.09702	3.4
256.51590	2.5
265.07169	21.8
265.09097	9.7
283.09668	14.8
307.08652	2.6
309.07843	12.9
325.09192	21.8
327.08771	100.0
327.12616	5.5
328.09045	11.0
369.09839	22.5
399.10950	17.9
400.11310	5.6
429.11987	21.5
470.19247	4.6
489.13992	9.8
621.25159	7.9
627.02838	2.8
651.26813	3.4
656.09692	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	651.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	20.2
61.98821	15.2
69.03456	3.8
71.01382	19.6
72.49535	3.2
73.02954	3.7
79.99550	3.0
82.02991	9.6
83.01351	3.0
85.02946	6.6
89.02438	9.1
93.03459	12.8
96.04582	4.6
96.96012	14.6
96.99268	3.4
99.00893	5.7
101.02476	13.0
105.45203	3.2
108.05378	3.1
110.02455	11.6
111.00872	6.0
113.02496	17.3
117.03512	6.9
119.05039	35.6
120.04553	6.7
122.06113	11.2
129.05611	3.5
133.02908	8.2
133.06592	6.8
135.04526	5.9
136.01675	33.3
136.07664	8.1
137.02487	4.1
138.05652	4.7
143.04987	5.0
145.02977	29.2
148.04048	49.2
149.04681	5.5
150.05669	25.1
151.04018	33.0
159.04453	5.0
160.04010	12.6
161.02571	4.1
161.04828	73.7
161.06073	8.5
162.03337	4.4
162.05399	6.3
163.03987	30.9
171.04480	3.3
173.03520	21.7
173.05989	6.5
174.04300	13.8
174.05615	5.0
175.02701	3.5
175.05142	49.3
175.06471	3.7
176.05919	6.0
177.05559	8.7
179.05699	4.2
187.04016	20.2
189.06706	11.3
190.07431	9.1
191.08366	7.7
200.07077	5.9
202.08780	9.5
203.04601	13.4
203.08498	4.5
205.05034	11.8
211.07674	41.6
215.08331	3.7
216.06590	6.7
217.07516	3.3
217.09816	3.6
223.07652	12.8
229.31737	4.0
231.07802	15.5
232.08470	14.2
233.09398	35.9
235.06129	5.1
235.10674	3.3
237.09209	9.8
239.10661	3.7
239.42151	3.6
241.09741	6.1
242.08133	4.6
243.07887	5.4
243.11334	3.8
244.09837	100.0
245.09790	15.0
265.08972	7.6
283.09631	5.6
287.10629	6.9
288.08768	21.7
303.09769	7.8
305.11508	32.5
309.07767	9.9
327.08740	60.5
327.12299	7.3
328.09000	5.8
338.11169	16.8
339.12277	7.1
357.13351	26.3
369.09894	8.2
381.63113	3.6
399.10834	10.2
416.18546	4.8
426.17426	6.4
427.17941	6.8
429.11829	8.7
458.19440	6.0
468.17740	98.2
469.18002	12.3
470.18845	7.8
471.18134	4.4
487.18875	5.4
488.20221	39.5
489.13507	7.1
553.61865	4.0
621.25110	10.4
646.41907	4.0
651.26624	36.3
652.26056	6.8
669.51550	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	651.268
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45879	1.1
55.75562	1.3
59.01380	4.9
60.19400	1.2
66.03476	1.5
69.21468	8.6
69.21875	2.2
71.01370	5.8
73.02937	2.0
82.02979	7.1
83.01372	1.4
85.02978	2.1
89.02435	2.7
93.03474	3.2
96.04542	1.9
99.00883	5.5
101.02438	4.4
107.05051	1.5
110.02488	2.2
112.04049	3.1
113.02461	3.8
119.05059	4.2
120.04566	5.4
121.02941	1.7
122.02475	1.5
122.06148	4.0
124.07688	2.0
129.05618	1.7
136.01677	29.5
136.07655	3.5
138.05617	1.4
145.02956	3.5
147.04559	2.3
148.02925	2.5
148.04065	38.4
150.05614	23.2
151.04028	35.5
152.04395	1.8
159.04547	1.5
160.04048	13.8
161.04839	63.1
162.05522	6.6
163.04039	4.2
164.03519	2.3
173.03572	6.8
173.06038	1.5
174.04317	7.8
174.05661	3.4
175.05144	62.2
175.06380	2.7
176.05931	7.0
179.03563	1.2
186.05551	3.3
187.03990	2.3
187.06384	4.6
189.06721	6.9
190.07458	9.6
191.05603	1.7
191.08401	7.3
201.07805	3.0
202.08904	7.6
203.04651	15.1
203.08238	2.6
204.06717	1.5
211.07642	5.1
214.05263	1.5
214.11081	2.1
215.11873	1.6
216.06613	5.3
216.10422	1.9
228.06644	2.2
229.07466	2.8
231.07747	4.1
232.08601	10.4
233.09315	28.7
235.05972	1.6
241.09747	1.9
242.08093	2.3
242.10406	1.9
243.07707	2.5
244.09825	100.0
245.09662	9.2
263.10529	1.7
268.08640	1.8
286.09521	2.9
287.10403	7.3
288.08746	15.8
289.09311	2.2
295.10953	2.3
303.13461	1.6
305.08197	2.2
305.11511	27.5
306.11801	2.5
327.08774	8.1
327.12332	2.6
338.11523	13.9
339.12238	4.8
357.13455	24.9
358.13760	2.8
386.17392	2.6
396.15619	1.4
404.15131	1.4
416.18094	2.6
445.90482	1.6
458.19394	7.1
467.16711	1.6
468.17819	84.8
469.18127	10.8
470.19174	3.4
471.17639	2.1
488.20361	15.1
489.20264	2.7
579.24268	1.7
596.80994	1.4
621.25787	9.8
622.26392	1.8
633.22687	1.6
651.24066	20.9
652.24823	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77764	1.4
57.03434	2.5
59.01388	10.4
61.98825	2.2
62.04297	1.6
65.99850	1.9
69.18980	11.2
69.19384	3.1
71.01382	6.3
73.02961	1.9
82.02985	7.5
83.84369	1.7
85.02935	2.4
89.02441	4.3
93.03467	4.9
96.04532	2.8
96.96046	2.3
99.00879	2.3
101.02429	6.1
101.53971	1.6
108.04578	2.2
110.02480	3.2
112.04044	2.7
113.02454	3.6
119.05035	6.0
120.04559	6.9
122.06110	10.7
124.07676	1.9
129.05611	3.2
136.01672	15.3
136.07658	5.0
138.05600	4.1
142.09872	1.8
145.02943	7.7
145.06622	1.9
147.05685	2.1
148.04053	51.9
148.05238	2.6
150.05626	22.1
151.04034	20.6
159.04486	3.3
160.04077	12.1
161.04823	69.4
161.05949	2.5
162.05453	6.6
163.04013	8.2
171.04570	2.2
173.03543	14.9
173.06026	4.3
174.04271	6.6
174.05655	5.9
175.05133	59.5
175.06570	4.1
176.05775	6.0
187.04015	3.5
187.06386	4.2
189.06657	14.9
190.07481	10.1
191.05679	1.9
191.08243	5.8
200.07146	4.1
201.07892	3.6
201.09470	2.0
202.08763	11.7
203.04614	18.2
205.05199	2.8
211.07645	13.2
211.09450	2.5
214.10822	2.5
215.06076	2.9
215.08224	3.5
216.06644	6.0
217.09836	4.6
223.07779	2.4
223.81340	2.0
228.06551	2.9
231.07791	12.6
232.08534	13.3
233.09300	25.8
235.06137	2.9
237.09282	2.0
241.09848	4.7
242.08257	3.1
243.07646	6.7
244.09808	100.0
245.09734	8.9
265.08887	4.1
285.04050	3.0
286.09543	3.9
287.10287	5.2
288.08664	13.3
303.09921	5.6
305.11429	29.4
306.11682	4.0
309.07846	2.2
325.09372	2.3
327.08719	14.8
327.12308	2.4
328.12979	2.5
338.11450	12.0
339.12079	5.2
342.11209	1.9
357.13431	15.3
358.13571	1.9
369.10114	2.1
399.10617	2.8
416.18246	6.9
428.18256	2.5
438.34216	2.2
458.19281	9.0
468.17743	77.3
469.18274	10.9
470.19330	6.6
471.18829	2.5
488.20267	33.9
489.20547	4.8
579.24908	2.8
593.14832	2.9
621.25946	9.4
633.25092	3.0
651.26141	19.9
652.26172	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	651.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11600	2.3
55.37386	2.2
56.04485	2.1
59.01381	13.7
61.98826	6.1
66.59343	2.4
66.66392	2.4
71.01382	9.1
85.02942	3.6
86.00179	2.2
87.00883	3.3
89.02450	4.7
98.22532	6.3
101.02451	6.3
109.06604	3.6
113.02426	3.9
125.09749	4.2
131.03676	2.3
163.11292	3.1
171.10269	15.0
207.10258	10.2
225.11311	6.6
241.06322	2.4
245.12074	2.5
261.11157	2.6
369.20767	5.4
371.18286	3.5
371.22372	4.5
379.18906	2.7
387.21744	4.7
389.19672	3.9
397.20126	7.8
415.21393	15.7
433.22525	5.9
461.20148	3.9
492.58743	2.4
535.16144	2.7
597.29333	4.2
615.30005	7.4
623.30713	3.7
633.29419	7.9
651.30188	100.0
652.30566	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	651.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28926	0.4
52.29601	0.4
54.03371	0.4
55.01874	1.6
57.03448	0.9
57.77906	0.4
57.88954	0.4
58.00597	1.3
59.01384	35.8
61.98824	1.4
69.03457	1.6
69.08826	2.4
69.09246	1.3
71.01387	35.4
72.99319	2.8
73.02958	4.9
75.00873	1.2
79.66884	0.4
81.03465	1.6
83.01393	3.8
83.05010	0.6
85.02959	6.9
87.00886	8.1
88.50375	0.4
89.02453	29.6
91.04039	0.7
95.01406	1.9
97.02953	5.5
99.00883	2.4
101.02450	26.6
109.02952	0.7
111.04543	0.8
113.02458	12.5
115.04032	0.7
119.03510	8.6
121.02984	0.7
125.01537	0.6
125.02463	12.1
127.04066	0.5
131.03409	0.8
133.05080	0.5
137.56030	0.4
139.03928	0.5
141.01926	0.6
143.03513	5.5
149.04588	1.4
161.04581	6.3
167.03513	0.5
171.02859	0.6
179.05647	6.4
199.05984	0.5
217.07219	0.7
219.04999	0.4
221.06676	2.6
235.08246	13.2
236.08638	0.9
236.90921	0.4
245.06749	0.7
253.09358	3.3
253.21747	100.0
254.22092	7.5
263.07602	1.0
267.23215	0.6
277.09314	0.6
287.07755	3.3
302.50494	0.4
305.08789	4.1
323.09888	1.6
379.12576	1.1
397.13519	67.1
398.13861	5.5
412.96860	0.4
415.14600	29.0
416.14984	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	653.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94999	1.8
51.33560	1.7
51.61665	1.7
59.01383	19.7
61.98827	4.3
69.03456	5.9
69.66932	9.2
71.01385	11.7
71.02333	1.6
71.98284	1.9
81.03465	3.3
83.05048	5.4
85.02953	3.2
87.00882	2.5
89.02445	5.8
95.05062	1.9
97.02975	11.5
101.02428	8.5
109.06601	44.9
111.04546	2.7
113.02469	6.1
119.03503	1.7
121.06620	2.2
125.09695	4.6
135.08153	5.2
136.05280	2.8
142.02724	3.2
153.09100	1.8
161.04582	3.1
161.09720	2.7
163.11311	26.0
165.12875	5.1
181.12369	7.6
185.11823	7.6
189.09183	2.1
191.10764	5.8
206.83069	1.8
207.10274	100.0
208.10599	5.0
209.11838	63.3
225.11342	52.1
226.11716	2.6
235.08148	3.9
249.11575	2.4
253.09256	12.3
337.21704	2.5
355.18930	2.2
371.22269	2.6
381.20792	10.6
389.23300	2.9
399.21875	17.0
400.22034	3.3
417.22714	9.9
443.19153	3.8
445.21194	2.0
461.20294	20.3
491.26355	1.9
617.29901	4.5
635.30750	28.3
636.30884	5.9
653.31830	36.2
654.32556	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	653.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.7
57.03455	1.0
58.00606	1.8
58.56351	0.3
59.01386	51.6
60.01728	0.5
60.56055	0.3
63.50472	0.4
69.03458	2.2
69.33215	0.4
71.01389	39.1
72.01746	0.4
72.99303	2.2
73.02956	7.4
75.00880	1.1
75.38186	0.3
77.22381	0.4
81.02798	0.3
81.03448	1.7
83.01398	5.0
85.02960	8.3
86.00156	0.5
87.00889	10.4
87.04562	0.3
87.32111	0.3
89.02456	34.7
90.02800	0.7
91.04033	0.7
93.03476	0.4
95.01398	2.9
97.02965	5.9
98.21716	0.6
99.00911	2.6
99.04569	0.4
101.02455	30.8
102.02789	0.7
109.02984	0.7
111.00857	0.5
111.04530	1.4
113.02462	15.1
115.04032	0.9
119.03512	10.0
121.03005	0.6
124.01740	0.5
125.01535	0.7
125.02459	12.6
127.04060	0.6
131.03519	1.5
133.05095	0.9
135.37480	0.3
136.95218	0.3
139.04018	1.1
141.01952	0.6
143.03510	5.9
149.04581	1.6
157.05093	0.4
161.04564	7.3
162.04851	0.4
167.03520	1.0
169.05121	0.5
179.05629	6.5
180.06006	0.4
185.04544	0.9
199.06128	0.4
203.05638	0.4
217.07237	1.2
221.06657	2.5
235.08257	13.8
236.08693	0.6
245.06693	0.9
253.09352	2.8
255.23325	100.0
256.23679	8.8
263.07904	1.5
269.24796	0.8
272.60495	0.4
277.09238	0.9
287.07806	3.5
299.69867	0.4
305.08810	3.9
323.09842	1.8
361.11273	0.8
366.19867	0.3
379.12711	0.9
397.13538	75.9
398.13864	7.7
415.14600	30.8
416.14972	2.4
513.26929	0.3
653.37378	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97059	0.3
55.01883	1.3
57.03456	0.9
58.00597	1.8
59.01387	41.6
60.01713	0.6
61.98843	3.1
67.01927	0.3
68.99834	0.6
69.03467	1.8
71.01390	35.3
72.01721	0.7
72.99313	2.9
73.02958	6.3
75.00875	0.8
81.03480	1.7
83.01400	4.3
84.20896	0.3
85.02963	7.0
86.00111	0.3
87.00886	9.7
87.04573	0.3
89.02455	34.0
90.02801	0.6
91.04024	1.0
95.01389	2.5
95.05046	0.3
97.02963	6.3
98.22559	0.5
99.00906	2.4
99.04536	0.4
101.02455	31.1
102.02798	0.8
103.00397	0.3
109.02970	0.7
111.00872	0.5
111.04560	0.8
113.02463	15.8
114.02789	0.4
115.04034	0.8
119.03519	11.0
120.03857	0.3
121.02993	0.6
123.00936	0.4
123.04542	0.4
124.01701	0.6
125.02468	13.1
126.02834	0.4
131.03522	1.6
133.05069	1.0
137.02483	0.4
139.04065	1.1
141.01978	0.5
143.03525	6.3
149.02498	0.3
149.04588	1.2
151.04095	0.3
157.05125	0.4
161.04578	7.6
167.03534	0.8
169.05084	0.6
171.03049	0.6
179.05635	7.5
182.00284	0.2
185.04585	0.5
199.06157	0.5
203.05637	0.6
217.07143	1.4
219.05132	0.4
221.06635	2.6
235.08264	15.1
236.08614	0.6
245.06766	0.8
253.09346	4.2
255.23326	100.0
256.23682	7.7
263.07620	1.7
269.24887	0.7
277.09335	0.8
287.07819	3.9
288.08157	0.4
297.24164	0.3
305.08835	3.8
306.09351	0.3
323.09869	1.7
361.11478	0.6
379.12466	1.1
397.13538	84.5
398.13940	6.4
415.14600	32.0
416.14951	2.6
421.80289	0.3
629.72528	0.3
653.37836	0.6
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
55.01864	1.3
57.03434	1.1
58.00592	1.7
59.01382	30.4
61.98838	4.0
66.05198	0.8
69.03439	1.8
71.01388	33.6
71.30472	0.9
72.99299	2.5
73.02953	6.5
75.00863	0.9
78.95905	1.4
81.03456	1.5
83.01402	5.6
85.02962	10.2
87.00888	21.2
89.02451	27.4
93.19935	0.7
95.01398	2.2
97.02956	6.4
99.00890	1.7
100.86114	0.7
101.02455	32.7
106.32931	0.8
109.02955	0.9
113.02457	18.9
114.02779	0.8
115.04031	0.9
119.03510	8.5
124.01612	0.8
125.02459	14.7
131.03494	1.3
139.04071	1.5
143.03499	8.6
161.04544	7.5
167.03445	1.5
171.03033	1.5
179.05658	5.8
203.05612	1.6
221.06723	1.5
235.08246	17.0
253.09300	11.0
255.23314	100.0
256.23706	7.4
263.07825	1.6
269.24899	3.3
283.69757	0.8
287.07758	5.4
305.08762	5.2
323.09964	3.6
397.13535	47.4
398.13855	5.4
415.14594	43.0
416.14783	3.7
442.79919	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	3.4
59.01396	25.9
59.24023	3.1
59.46474	3.2
61.98829	12.9
62.97977	5.3
69.03445	5.6
71.01393	23.8
71.29158	4.9
71.29587	3.4
73.02930	5.3
83.05059	4.8
85.02956	8.7
87.00875	7.1
89.02454	13.8
93.03463	4.7
95.05049	5.1
96.96018	4.5
97.02979	7.1
99.00916	3.2
101.02451	22.3
109.06593	34.8
113.02457	12.4
119.77515	3.3
125.09725	9.6
134.53728	4.4
135.08159	5.5
163.11333	14.3
164.37524	3.6
174.24944	3.7
181.12402	3.9
183.13887	8.2
185.11790	16.6
187.69156	3.9
197.11841	10.0
205.67090	3.6
207.10304	64.4
208.10640	4.5
209.11923	5.3
211.13409	100.0
212.13765	10.8
225.11336	34.1
235.08246	11.7
251.12866	5.2
253.09256	12.6
339.23306	12.5
351.40805	4.5
357.24225	6.1
373.23856	14.2
383.22400	26.3
391.24884	8.8
401.23376	40.4
402.23291	5.4
419.24384	17.8
443.19113	6.0
461.20129	11.5
619.31030	6.2
637.32269	100.0
638.33044	18.1
655.32965	39.4
656.33105	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	655.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	27.2
61.98821	12.7
65.55289	2.9
69.03445	4.3
71.01392	19.3
73.02953	3.1
80.02682	2.8
83.01390	4.2
83.05036	4.0
85.02953	11.6
87.00882	6.2
89.02441	10.9
95.01408	3.2
95.05035	4.5
97.02960	9.5
101.02469	14.6
109.06595	30.6
113.02463	13.0
123.04556	4.0
123.08171	3.5
125.02461	4.5
125.09696	4.0
135.08150	9.9
161.04501	4.3
163.11328	16.7
168.97597	3.2
171.10257	7.0
179.07149	7.4
181.12392	4.3
183.13892	7.7
185.11818	16.8
185.53163	3.6
197.11804	11.0
203.14502	3.7
205.12354	4.4
207.10303	73.9
209.11842	7.1
211.13423	100.0
212.13742	4.6
221.11853	9.8
225.11328	36.4
226.11562	3.9
227.12926	3.2
229.08496	3.2
235.08148	8.9
239.12918	4.8
249.15112	3.3
251.12924	6.4
253.09384	14.2
313.39316	3.3
336.02405	3.2
339.23346	8.0
355.23010	3.7
357.24292	6.9
365.21201	4.8
373.23724	11.5
383.22330	27.5
391.24994	8.9
401.23383	50.7
402.23819	6.6
419.24387	19.2
461.20071	7.9
554.68341	3.3
559.19904	4.4
609.32959	9.8
619.31091	12.7
620.32184	3.3
637.32312	98.6
638.32922	17.3
655.32690	30.8
656.33502	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	656.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	5.1
59.60888	1.2
59.97236	1.1
61.98835	61.1
65.24191	1.2
71.01376	4.6
71.30495	2.2
85.02985	2.7
85.17207	1.4
88.98810	3.2
93.03438	3.3
101.02455	2.6
107.01395	2.1
113.02450	4.7
117.03466	2.6
119.05029	3.1
120.80839	1.2
133.02992	1.8
136.01645	1.4
137.02388	1.8
145.02994	10.5
151.00406	3.5
161.02458	1.6
163.03963	2.5
183.04555	1.4
187.04051	2.8
191.05641	1.4
198.50995	1.4
211.03951	1.9
213.05626	1.5
225.11308	1.6
227.03537	23.0
229.05078	5.4
255.00427	3.0
255.02994	42.4
256.03571	7.5
257.04523	3.8
267.02985	1.5
284.03302	59.5
285.04034	71.6
286.04376	3.9
329.95322	1.5
447.09421	3.0
573.43433	1.4
593.13025	100.0
594.13373	17.7
600.65094	1.9
657.28015	2.0
664.60339	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	656.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01705	1.2
61.98555	1.7
61.98837	20.1
66.93846	1.3
79.43884	1.0
82.82671	1.0
84.76447	1.4
93.03489	1.4
105.54647	1.1
107.01425	1.8
112.66573	1.2
135.00887	1.8
163.00398	1.8
167.59622	1.4
211.03967	2.0
227.03542	22.1
228.03876	2.4
229.05016	8.1
255.03012	42.0
256.03561	4.9
257.04535	5.0
265.48282	1.3
284.03271	47.5
284.06390	2.7
285.04050	62.2
286.04425	5.9
301.29596	1.5
333.76996	1.4
388.47925	1.3
502.58521	1.6
593.15155	100.0
594.15424	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18616	0.6
59.01377	1.1
69.22444	2.6
69.22856	2.0
87.75370	0.6
91.77866	0.6
93.03439	0.6
98.21812	1.3
101.02435	0.7
111.00858	0.8
111.24506	0.5
113.02447	1.4
119.05035	1.1
121.03014	1.5
131.62451	0.5
133.02975	1.1
134.03754	39.6
135.04135	1.0
137.02451	7.8
137.71513	0.6
139.04045	1.6
139.94611	0.6
149.06085	14.9
150.03207	1.0
150.06410	0.9
161.02477	0.9
168.52560	0.6
178.02730	27.0
179.03207	0.6
193.05072	100.0
194.05418	6.1
261.99542	0.7
287.06985	0.9
321.77551	0.7
355.10376	10.5
356.10977	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11475	0.9
61.98836	100.0
69.14767	0.8
89.22618	0.9
94.91603	1.0
95.05038	2.8
97.06620	5.7
98.06947	1.6
102.28838	0.9
104.65756	0.8
111.41868	1.0
115.99928	0.9
140.39287	0.9
155.08095	0.9
159.06662	1.7
165.78789	1.0
175.18910	0.9
228.70117	0.9
277.21854	1.6
278.22165	1.2
621.38354	1.1
656.37305	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	657.204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11180	0.6
57.03437	0.8
59.01370	2.6
61.93739	0.5
64.30775	0.6
64.59602	0.6
67.01879	1.7
67.66772	0.6
71.01381	2.6
82.97003	0.5
83.01397	0.9
85.02959	1.1
89.02446	1.8
91.01892	0.8
91.63620	0.6
93.43524	0.6
95.01385	2.0
99.00900	2.0
101.02467	2.1
107.01425	0.9
108.02187	44.8
111.00885	1.3
113.02408	1.0
119.05042	1.0
122.03747	0.9
123.00906	2.0
123.04539	19.3
131.07147	1.7
135.04559	1.1
149.02444	1.6
150.03239	8.4
151.03922	1.5
152.01169	90.8
153.01482	4.2
154.80499	0.6
161.57045	0.7
163.04028	1.0
165.05577	14.8
166.02716	2.1
166.05882	0.8
167.03516	100.0
168.03831	4.1
195.06636	2.6
202.05319	0.7
225.18062	0.6
229.04976	0.8
244.07480	1.3
251.21146	0.7
259.09790	2.4
287.60580	0.7
293.09381	0.8
293.12448	3.7
315.09027	1.1
328.32739	0.6
341.08960	0.8
363.10590	1.3
489.16125	10.0
553.19635	0.9
657.20410	54.1
658.20636	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	657.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00604	1.3
58.80450	1.0
59.01085	1.6
59.01381	25.4
71.01388	20.6
71.30974	1.4
72.99323	1.5
75.79730	1.0
80.05096	1.2
83.01393	1.9
85.02956	5.5
85.06607	2.7
87.00874	1.1
89.02448	23.3
95.01389	1.9
96.04559	2.6
99.00888	1.8
101.02451	15.0
101.51093	0.9
108.02176	20.1
109.75008	0.8
113.02473	9.9
119.03519	10.2
119.05013	2.8
121.03049	1.5
121.25003	0.9
123.00863	1.6
123.04526	8.8
131.03520	2.0
131.07144	10.6
134.03757	1.0
135.04547	1.7
136.01692	1.0
143.03459	2.0
150.03224	2.9
150.05591	1.6
152.01157	38.8
153.01523	1.5
161.04553	0.9
163.04012	3.1
165.05595	6.5
166.02756	1.3
166.06116	0.8
166.08704	1.6
167.03503	45.2
168.03857	3.1
179.03529	2.6
179.05603	1.7
182.08214	2.3
189.01636	1.3
195.06694	1.5
199.48752	1.0
201.01703	3.5
293.12433	24.5
296.14230	1.1
341.08960	1.1
344.13504	100.0
345.13840	8.3
359.42349	1.0
399.11990	1.0
489.16217	3.6
503.09769	1.0
657.20215	26.3
658.20880	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	657.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08345	0.6
55.01868	0.7
56.96955	0.5
57.03444	2.2
57.05194	0.6
59.01381	10.8
61.98829	2.5
69.03455	3.4
69.30496	4.5
70.30556	0.5
71.01391	7.7
71.05032	2.4
72.47068	0.6
81.03461	3.2
83.01383	1.1
83.05041	1.4
85.02959	3.0
86.40454	0.6
87.26485	0.6
88.98820	2.6
89.02433	3.3
93.03484	1.3
95.05045	4.0
95.23106	0.7
97.02950	2.8
97.06597	5.1
98.21831	1.2
99.00887	1.0
101.02444	4.3
107.05042	1.1
109.02965	1.0
109.06593	8.1
111.04561	0.7
113.02435	3.2
117.07121	1.7
119.03533	0.7
119.37086	0.6
120.02912	0.6
121.06630	0.8
123.04523	2.3
123.08168	8.1
125.09732	3.5
131.05035	0.7
133.06580	4.8
135.08170	10.4
136.05305	1.8
136.08542	1.2
149.06030	0.8
150.06789	1.1
151.07635	5.1
151.11310	1.6
153.09248	2.5
153.12935	1.1
161.04594	2.0
161.06010	0.7
161.09727	3.3
163.11278	3.0
165.09258	1.5
169.08731	10.5
171.10313	1.3
179.07108	4.9
179.10751	5.5
181.08710	0.6
181.12349	1.7
185.11859	1.1
191.05563	1.3
197.08267	3.3
197.11842	48.6
198.12177	3.2
198.65855	0.6
207.10263	12.3
209.11821	1.5
213.07950	0.6
220.96048	0.6
223.09734	1.3
225.11324	7.0
235.13374	0.7
241.10912	4.9
253.09233	3.6
449.16690	1.1
449.32919	0.9
459.18829	1.1
461.20840	1.1
477.19894	5.9
484.19489	0.7
495.33289	1.8
595.28345	0.9
613.28912	1.4
639.27496	1.8
657.27795	100.0
657.38446	10.9
658.28058	19.9
658.38629	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	657.277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
57.03453	2.1
59.01118	1.0
59.01378	9.9
59.04643	0.7
67.01885	0.7
69.03449	3.0
69.30781	1.6
69.31187	4.2
71.01400	5.9
71.05025	2.6
75.59096	0.8
81.03468	2.6
83.01400	0.8
83.05036	2.3
84.02192	0.8
85.02965	1.7
87.00891	0.8
88.98822	1.4
89.02454	4.0
95.01450	0.9
95.05039	4.9
95.06416	0.7
97.02962	2.6
97.06598	6.4
98.22525	0.9
99.00912	1.4
99.04512	1.5
101.02465	3.4
107.05066	1.3
109.02948	0.8
109.06609	10.3
113.02464	1.4
117.07101	1.4
121.06614	2.0
123.04547	2.0
123.08170	9.2
125.09730	3.6
128.61433	0.7
133.06589	4.6
135.08167	11.2
149.06042	0.7
151.07646	6.2
151.11252	1.0
153.09242	2.4
153.12871	1.2
161.04570	2.0
161.06015	1.3
161.09734	3.0
163.11288	4.9
169.08713	15.5
179.07088	4.1
179.10840	5.5
181.12401	1.7
195.06683	1.2
197.08173	2.3
197.11839	53.4
198.12210	2.5
207.10277	16.1
209.20634	0.7
223.09787	1.3
225.11346	7.1
228.63812	0.9
241.10890	4.9
253.09377	3.6
398.93100	0.7
449.16461	1.7
477.19736	5.9
495.22748	1.0
539.65027	0.8
613.28564	2.2
639.26697	1.2
657.27643	100.0
658.27966	18.4
658.39099	0.9
667.23279	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96746	1.2
55.31808	1.2
57.03447	1.7
59.01385	7.8
61.98824	3.6
68.99574	1.6
69.03449	3.9
70.42769	1.1
71.01378	5.3
71.05033	2.0
71.30843	1.6
83.01428	1.3
83.05046	2.1
85.02955	2.8
89.02448	3.6
97.02946	1.9
97.06591	1.7
97.22147	1.4
99.00906	1.3
101.02465	3.8
109.06605	3.5
113.02450	3.9
118.25962	1.1
121.43285	1.0
121.58279	1.2
125.09769	2.3
151.11281	5.1
151.41048	1.2
153.12822	2.0
156.96504	1.3
161.04585	1.4
161.09737	4.0
163.11217	2.6
169.12357	13.0
171.10301	8.1
179.10759	7.6
185.11879	1.5
197.11836	98.5
198.12132	6.1
207.10263	9.8
209.11893	2.1
211.13344	1.6
213.11279	2.6
225.11349	6.0
241.10883	3.1
243.44110	1.3
253.09290	4.7
349.87665	1.7
372.97794	1.2
449.20554	1.7
477.20193	1.8
615.30389	2.1
639.31305	1.7
657.31305	100.0
658.31738	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	657.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.0
59.01380	11.0
61.17130	1.1
61.98829	4.6
68.99568	6.6
70.32813	3.1
70.33162	1.4
71.01391	8.7
81.03475	1.7
83.05047	2.3
85.02962	2.7
87.00875	1.8
89.02474	4.3
92.29884	1.4
95.05027	2.8
97.02962	3.7
97.06590	4.6
101.02438	6.5
109.06582	17.9
109.07157	1.4
112.98586	4.4
113.02477	4.9
119.03564	1.8
123.08189	1.5
131.88831	1.2
135.08243	2.8
151.11301	17.3
151.77727	1.2
163.11330	8.6
169.12357	83.0
170.12746	4.2
171.10387	1.5
181.12344	2.5
195.10309	3.7
207.10280	26.2
208.10716	1.7
209.11877	4.9
211.13437	2.6
213.11354	14.0
214.11823	1.4
225.11354	14.4
235.08278	1.6
249.15036	2.3
253.09364	5.1
344.03424	1.3
359.22354	3.4
377.23560	1.8
404.90506	1.5
431.19312	2.9
449.20233	9.0
461.20407	5.1
495.26654	1.8
549.71429	1.4
613.32013	1.6
639.30804	9.3
657.31372	100.0
658.31604	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.0157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33677	0.6
59.01384	66.0
59.20005	0.5
60.01711	0.7
61.98845	1.2
65.77235	0.5
68.98457	5.3
90.97169	1.6
91.75117	0.5
93.17603	0.5
98.22526	1.1
112.36063	0.5
132.98236	1.6
145.57433	0.5
150.94865	0.9
157.03566	1.1
159.01500	1.1
174.99255	25.3
184.74368	0.5
192.95879	8.4
201.02560	16.7
202.02779	1.8
202.98798	0.5
216.80829	0.6
217.00308	100.0
218.00658	2.9
270.11633	0.6
272.55356	0.5
318.07343	0.5
343.03696	1.5
359.01492	32.4
360.01715	4.2
374.99237	52.8
375.99719	2.8
517.00452	7.7
518.00616	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	659.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50050	3.6
52.87159	4.1
57.03452	8.9
59.01384	95.8
60.99328	4.0
61.98829	23.6
65.11124	4.9
69.03456	12.4
71.01394	58.7
71.31573	6.9
72.99305	12.9
73.02959	11.4
75.00877	6.9
81.03448	10.3
83.01396	7.3
83.05029	13.3
85.02959	38.5
87.00860	11.7
88.98832	25.3
88.99339	3.9
89.02469	24.8
89.99096	4.2
95.01405	12.1
95.05025	9.7
96.96027	5.2
97.02952	18.8
97.06595	16.4
99.00908	9.7
100.29383	4.5
101.02448	28.2
103.01480	7.6
105.03431	4.7
107.05053	5.8
109.02991	8.7
109.06586	10.2
109.75860	4.6
110.02462	6.1
111.04532	4.7
113.02461	87.5
119.03510	7.0
119.05032	5.4
121.02955	7.2
123.04542	6.6
123.08145	12.6
125.06055	7.2
125.09734	9.5
132.93547	4.7
133.02959	66.1
133.06613	9.0
134.03784	38.6
135.04570	22.1
135.08179	23.3
137.02464	10.6
143.07155	13.3
145.02921	5.6
149.06119	5.6
151.07658	11.1
153.09250	7.7
160.01682	4.8
161.02466	12.6
161.04573	23.2
161.06006	7.6
163.04082	10.4
163.11249	7.2
169.08736	7.6
169.12338	10.2
171.10269	80.8
176.37056	5.0
177.01956	38.3
178.02731	15.9
179.03534	5.7
179.07147	33.3
179.10683	4.3
181.08713	15.6
191.03551	18.6
191.05540	9.0
192.04243	6.2
195.06635	6.9
195.10225	10.3
197.08203	13.1
197.11833	47.1
199.09750	9.1
199.13428	11.5
205.08736	5.0
207.10269	18.1
209.11902	31.6
217.02368	5.2
219.02928	8.5
220.03757	56.2
223.09821	10.4
225.11331	44.8
227.12895	28.7
243.12384	9.5
250.04855	35.0
253.09264	33.2
275.09241	23.4
307.11890	26.2
317.10336	46.7
318.11014	6.0
331.50385	4.6
347.11426	47.3
348.11819	6.4
349.12900	11.4
377.12552	8.8
380.92947	4.8
438.12097	6.0
457.85617	4.9
461.20416	12.6
587.27081	7.6
641.28448	16.7
646.40582	5.1
659.29156	100.0
660.28979	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	659.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43937	2.1
52.49820	2.3
52.93984	2.2
57.03455	3.3
59.01142	3.0
59.01384	41.4
61.98839	13.6
69.00858	27.0
69.03454	4.2
71.01385	26.0
71.05013	3.4
72.99290	2.9
73.02944	3.4
81.03456	2.8
81.71367	2.3
83.01376	4.5
83.05025	9.2
85.02950	11.3
87.00883	6.3
88.98818	24.6
89.02448	12.6
91.24971	2.3
93.03449	4.1
95.01367	4.8
95.05051	5.9
96.95991	3.1
97.02981	6.7
97.06601	6.5
98.21729	5.2
99.00877	4.9
101.02449	13.9
103.01534	6.7
109.02940	2.7
109.06593	9.3
113.02451	25.7
119.03491	3.8
119.05016	4.3
121.06723	2.6
123.04539	3.4
123.08167	5.2
125.06078	2.9
125.09698	5.0
133.02980	17.6
134.03735	8.0
135.04495	3.1
135.08182	9.2
137.02467	3.7
143.07140	4.7
147.24200	2.9
149.06108	2.4
151.07549	2.7
153.09219	3.4
161.02477	5.1
161.04599	6.7
161.09734	5.9
163.03983	4.0
163.07628	3.0
163.11287	6.8
169.08743	4.4
171.10251	26.7
171.55043	2.9
177.01949	9.3
178.02698	10.8
179.03516	3.1
179.07179	8.9
179.10788	8.6
181.08759	18.4
185.11829	4.7
191.03583	2.0
191.05617	14.1
192.04283	2.4
195.10248	4.8
197.08200	4.7
197.11839	70.6
198.12151	4.6
199.09709	3.4
199.13538	2.5
207.10246	15.2
209.11823	15.0
213.11305	4.8
220.03728	9.2
223.09752	6.0
225.11345	17.5
226.11708	3.7
227.12898	7.9
241.10829	7.4
243.12430	3.2
250.04807	4.7
253.09251	10.0
275.09265	11.0
280.05838	3.2
317.10437	8.6
347.11340	6.0
353.13818	3.9
377.12402	3.1
461.20313	5.6
477.19412	5.2
497.31653	3.9
587.27087	3.9
623.27301	2.9
641.28058	9.5
659.29059	100.0
660.29718	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	659.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78311	0.9
55.01869	1.7
55.04233	1.0
57.03457	4.8
59.01385	18.4
60.99297	2.1
61.98830	4.9
67.01867	1.4
69.03453	2.2
69.74982	2.3
69.75373	3.4
71.01385	10.4
71.05029	3.1
72.99297	1.2
73.02944	2.2
75.00871	1.9
80.02673	1.2
81.03470	3.5
83.01370	1.6
83.05026	7.5
83.15854	0.9
84.02146	1.4
85.02932	5.5
87.00880	2.3
88.98813	9.1
89.02451	6.5
93.03469	1.9
95.01351	1.2
95.05032	8.7
96.96039	1.2
97.02949	2.0
97.06586	8.3
99.00876	3.3
101.02441	8.8
103.01514	1.0
109.02935	1.1
109.06590	3.5
111.04543	1.4
113.02456	7.5
119.03482	2.7
121.02924	1.2
121.06645	1.4
123.04547	1.2
123.08171	18.1
125.06126	1.4
125.09737	3.7
133.02959	3.9
133.06615	4.1
135.04549	1.0
135.08180	3.1
143.07156	3.1
145.02971	1.2
148.05142	1.1
151.07666	11.1
161.02385	1.1
161.04596	3.8
161.09723	1.1
163.11250	5.1
165.12881	2.7
169.08708	30.5
170.09055	1.2
171.10295	7.2
177.01892	2.8
178.02634	1.8
179.05623	2.8
179.07080	2.0
179.10727	1.3
181.08708	2.6
181.12347	2.9
185.11896	1.8
191.05618	2.8
191.10732	1.5
195.06645	2.2
196.27180	0.9
197.08183	1.8
197.11885	5.8
199.09689	2.3
206.76077	1.0
207.10207	6.8
209.11847	66.7
210.12175	3.0
213.07635	2.2
220.03693	1.8
225.11281	6.1
227.12914	10.3
250.04803	1.2
253.09418	8.4
275.09219	1.6
275.12354	1.1
317.10501	1.5
323.99680	1.0
335.22119	2.5
347.11569	1.4
377.12527	1.6
435.23508	1.1
438.80673	1.0
449.16550	1.6
461.20090	1.3
497.28043	1.0
497.31039	1.0
595.68628	1.3
619.61676	1.0
623.27875	1.0
641.28485	3.1
659.29175	100.0
660.29297	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	659.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	39.6
60.01704	0.4
60.06810	0.2
64.85749	0.3
72.99309	4.0
78.66296	0.2
79.87766	0.2
80.79449	0.2
91.05566	0.3
93.03552	0.2
101.03965	0.2
103.05578	0.9
107.83972	0.2
113.02498	0.4
114.29320	0.2
117.03503	0.2
119.05043	5.7
120.05450	0.3
147.04543	100.0
148.04875	4.5
165.05591	87.8
166.05945	4.2
177.42697	0.3
180.33702	0.2
207.06647	52.4
208.07002	2.8
210.26877	0.3
211.07704	0.3
397.13690	0.3
451.32892	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	18.2
60.02114	1.7
61.98823	3.6
68.99812	7.8
69.03008	14.6
69.03432	4.9
71.01388	42.7
72.03630	1.5
73.02930	2.9
80.85663	1.6
83.01403	3.0
85.02944	11.4
87.00874	2.3
87.08886	1.4
89.02443	7.9
94.23914	1.5
95.01390	4.4
96.96015	1.5
97.02945	4.8
101.02451	10.9
111.00890	6.9
113.02458	13.4
129.01967	8.5
133.02998	2.0
133.37579	1.8
158.07393	2.7
173.01149	1.7
183.04506	9.2
185.06149	3.0
186.06866	4.6
187.07692	2.9
196.05359	3.3
197.06059	6.7
198.03255	3.9
198.06880	1.9
199.04001	2.7
200.08521	1.8
201.09242	4.1
209.06018	4.0
211.04047	12.4
211.07649	6.4
212.04686	5.2
213.05499	3.1
214.06407	2.8
215.07135	6.1
223.04117	2.7
224.04753	7.1
225.05576	17.2
225.09224	5.4
226.02715	2.6
226.06320	7.3
226.09991	6.1
227.03482	5.8
227.07086	5.5
227.10786	5.3
228.07744	2.5
229.08762	9.4
232.07500	2.1
237.05611	9.2
237.09262	2.9
238.06209	2.8
239.03545	7.1
239.07077	5.6
239.10852	3.3
240.11484	2.8
241.12323	2.8
242.09613	2.0
249.06010	2.2
251.07188	2.5
251.10817	3.9
252.07895	20.5
252.10728	2.0
252.11420	2.0
253.05016	6.9
253.08717	23.9
253.11604	2.2
253.12122	1.9
254.05954	3.6
254.09274	3.8
255.06682	2.9
255.10298	4.6
255.13933	32.2
256.07281	4.0
256.14288	2.8
265.12354	3.1
267.06732	1.9
267.10236	6.2
268.10989	16.7
269.11749	3.3
270.09537	1.7
270.12720	5.7
281.04532	4.8
281.08090	2.9
281.11832	7.1
281.15442	9.9
282.15936	2.0
283.13388	22.7
284.13873	2.7
295.09897	3.5
296.10654	9.8
297.11621	1.9
297.14853	8.2
299.12903	7.3
299.16544	9.4
309.11551	2.9
309.14725	8.0
311.12930	17.3
312.13269	2.7
323.09265	2.2
323.12949	4.0
324.10068	4.8
325.14517	18.4
327.12402	8.7
327.16055	23.1
328.16202	2.0
341.13959	4.2
343.15527	6.2
353.13943	100.0
354.14264	6.7
369.13602	3.1
371.15076	25.8
395.15121	8.7
413.16064	28.4
414.16336	3.2
443.17233	6.1
461.18161	9.1
473.18188	8.1
489.17456	3.4
505.20700	3.2
533.20306	57.8
534.20575	8.5
559.22046	8.2
587.21051	8.3
605.09003	1.9
609.27905	2.0
619.24127	1.9
631.23871	96.8
632.24054	18.3
663.26563	24.8
664.26556	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	663.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87930	2.1
59.01394	21.4
60.63663	1.8
68.99803	6.7
69.24500	1.9
69.46684	14.2
71.01388	27.1
72.99306	2.5
73.02949	2.7
83.01389	2.8
85.02946	7.6
89.02450	5.7
95.01398	4.8
97.02974	2.7
98.21806	2.5
101.02454	7.5
111.00887	5.7
111.01719	1.9
113.02470	9.6
125.35445	2.8
133.02959	4.2
161.02472	6.3
173.06073	2.8
180.47154	2.2
183.04459	5.7
186.06876	4.6
187.07585	2.6
196.05254	4.8
197.06038	6.1
197.35379	2.0
198.03110	3.3
199.07727	3.1
200.08391	2.2
201.09157	2.2
209.05888	3.2
211.04065	13.4
211.07692	6.2
212.08313	2.4
213.05598	6.1
214.06436	3.0
215.06987	2.8
223.04019	3.1
224.04784	8.2
225.05540	19.9
225.09198	5.4
226.02817	4.0
226.06213	5.7
226.10052	5.4
227.03490	7.0
227.07124	6.2
227.10732	4.2
229.08665	3.2
235.76096	2.3
237.05600	7.8
239.03468	5.7
239.07143	4.7
239.10806	3.3
240.04158	3.3
240.11406	3.0
241.05087	2.8
241.12534	2.6
251.06992	3.0
251.10802	3.1
252.07959	20.1
252.11435	2.1
253.05078	8.0
253.08638	25.7
253.12450	3.4
254.05597	3.6
254.09340	3.1
255.06488	2.7
255.10287	5.2
255.13933	28.2
256.14331	4.1
265.12332	2.3
267.10345	8.7
268.11008	14.3
269.11819	5.3
270.08920	2.5
270.12692	2.7
279.10568	2.4
281.04749	4.2
281.08392	4.3
281.11978	6.1
281.15491	11.7
283.10300	3.0
283.13367	21.5
295.06586	2.8
295.09781	9.6
296.10425	8.4
297.11496	2.2
297.14841	6.2
299.12872	7.6
299.16562	11.1
309.14801	10.8
311.12860	18.5
312.13223	2.9
323.09164	2.5
323.12878	3.2
324.10098	8.6
325.14606	20.4
326.14890	3.3
327.12430	6.5
327.16055	27.3
339.12299	2.5
343.15567	5.8
353.13974	100.0
354.14551	10.8
369.13278	4.4
371.15045	25.3
395.14984	8.3
413.15970	29.9
414.16370	4.5
461.18231	8.9
464.46698	2.7
473.18274	11.4
489.17551	5.7
509.23929	3.0
517.83929	2.9
533.20374	57.4
534.20557	9.6
559.21796	4.8
587.21069	8.9
631.24023	97.7
632.24341	18.1
645.21985	2.7
646.21661	5.7
663.26788	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	665.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88129	0.6
59.01384	3.1
69.10558	5.9
71.01398	3.4
71.18516	0.6
73.02952	0.8
85.02949	1.0
89.02444	1.7
99.00883	4.7
101.02441	2.3
107.18664	0.6
113.02456	2.2
114.03799	0.7
119.05019	1.2
121.02964	2.7
138.35320	0.6
143.03491	0.6
145.02969	1.4
147.04541	5.0
148.05309	1.9
158.02368	0.8
161.04567	0.7
162.03284	0.6
163.04004	0.7
175.56277	0.7
176.04794	1.7
180.04239	1.0
191.03595	4.2
191.05536	1.2
191.07106	6.5
192.04239	0.7
194.05937	1.4
195.06032	0.6
206.05714	1.2
207.08183	0.7
209.06039	0.9
221.06113	1.7
222.06700	0.9
223.07660	1.5
233.06082	1.0
235.07678	1.7
237.05573	1.2
238.04800	2.1
239.07143	3.9
249.05554	2.3
250.06288	1.2
251.07127	7.9
252.07745	1.2
253.08821	0.7
262.06210	0.6
263.07184	4.2
264.07837	2.5
265.05029	1.4
265.08762	1.4
266.05786	3.5
267.06607	18.9
268.07169	2.5
275.07272	0.6
277.05197	0.6
278.05902	0.8
279.06635	12.5
280.06973	1.7
281.08282	3.0
282.08948	8.8
283.09460	3.0
293.08362	1.9
294.05347	4.0
294.08997	6.7
295.06168	9.6
295.09363	1.4
297.08011	1.2
297.11227	5.6
299.13013	2.0
307.06113	3.4
308.06818	1.4
309.07718	5.5
309.11197	1.4
310.08340	2.1
311.05701	1.7
321.07779	0.8
322.08438	5.0
323.05621	16.8
323.08997	1.3
324.05951	2.5
325.07291	2.2
326.07968	6.1
327.12332	1.4
337.07205	1.7
338.07971	34.7
339.08441	7.2
340.09433	2.6
341.10330	22.9
342.10593	3.3
353.10324	100.0
354.10718	11.3
371.11261	1.2
399.15250	0.7
470.19397	2.2
621.21857	15.1
622.22534	3.1
635.19763	5.4
636.19800	1.1
647.19849	10.2
648.19489	1.0
665.20862	17.7
666.21240	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06829	0.8
59.01369	3.0
59.84264	0.8
63.55328	0.9
71.01379	3.4
73.02950	1.4
85.02960	0.9
89.02443	1.3
99.00889	3.5
101.02456	1.4
121.02967	4.9
145.02962	2.4
147.04552	3.0
148.04277	0.7
148.05330	3.7
161.04602	0.9
162.03287	0.9
172.74681	0.9
173.02454	1.3
176.04878	1.6
191.03487	4.3
191.07161	6.4
192.04271	1.1
194.05901	1.4
195.66328	0.8
196.88596	0.8
202.62280	0.8
205.05040	1.0
208.85341	0.9
211.07617	1.3
220.03891	1.1
221.06215	1.1
222.06834	1.3
223.07658	2.4
223.70488	0.9
237.05579	1.1
239.07175	4.0
249.05597	2.3
250.06277	1.5
251.07162	7.2
252.07738	1.0
253.08774	1.1
263.07114	3.7
264.07764	2.0
265.05054	2.0
265.08759	0.9
266.05814	6.2
267.06668	22.9
268.07202	3.1
276.07895	0.9
277.05307	1.5
277.08661	1.5
278.05774	1.3
279.06638	14.2
280.07254	1.3
281.08224	3.8
282.08987	12.1
283.09665	2.4
293.08301	2.9
294.05402	9.8
294.09006	8.2
295.06015	5.0
295.09436	1.8
296.10614	1.2
297.11328	11.6
298.11639	1.4
307.06174	1.3
309.07718	14.1
309.11432	5.3
310.08261	3.6
321.07751	2.0
322.08426	2.6
323.05679	7.2
323.09085	1.7
324.06094	1.1
325.07220	3.7
326.08005	5.2
327.08704	1.0
327.12238	0.9
338.07986	21.6
339.08481	2.7
340.09525	3.1
341.10315	14.1
342.10681	1.1
353.10327	20.3
354.10675	2.2
371.11447	3.6
395.11462	1.0
533.16577	2.3
621.22083	2.1
632.97473	1.1
635.19543	1.4
647.20038	3.3
665.20898	100.0
666.21344	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	665.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.9
58.00596	1.7
59.01085	1.7
59.01381	29.2
61.98821	2.7
69.14696	7.5
71.01385	20.7
72.99303	1.5
76.76805	0.8
83.01373	0.8
83.70632	0.8
85.02964	3.3
85.99641	0.8
87.00880	0.9
87.61784	0.8
89.02447	25.6
93.25948	0.8
95.01431	0.8
101.02448	15.1
113.02470	7.9
116.78635	1.1
119.03510	9.9
120.41220	0.8
121.77856	0.8
131.03471	1.4
135.04527	2.0
177.71300	0.9
179.03490	2.3
323.13480	100.0
324.13879	7.3
387.14108	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	665.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.9
58.00594	0.9
59.01385	32.8
65.81858	0.7
68.99824	0.8
71.01388	20.5
71.27347	0.9
72.99307	1.3
73.34516	0.6
80.09119	0.6
83.01387	0.8
85.02963	4.3
87.00874	1.8
89.02454	21.2
95.01403	1.3
101.02452	13.8
111.00933	0.9
113.02464	8.0
119.03512	8.2
143.03508	2.7
149.04507	0.9
153.65369	0.8
161.04593	0.9
179.05649	1.3
254.40347	0.6
255.57886	0.7
272.61349	0.6
291.07303	1.3
294.22336	0.7
323.13480	100.0
324.13882	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	667.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81258	0.5
57.03449	3.3
57.96314	0.5
59.01377	2.2
65.03973	1.0
69.27225	4.3
71.01392	1.0
83.05042	3.3
85.02954	0.7
87.00892	6.6
90.48902	0.6
93.03469	0.9
95.01367	0.9
95.05028	1.5
98.22495	1.3
106.04189	0.9
109.02946	0.9
111.04529	1.9
111.08173	1.1
113.02466	0.8
113.06055	0.8
119.05037	1.4
121.02914	1.4
121.06600	2.4
123.08179	10.1
133.02998	0.7
134.03757	43.8
135.04543	1.7
137.02469	7.3
137.09726	1.1
139.04019	3.1
139.07637	2.1
145.10234	1.4
149.06094	16.0
150.03209	0.9
150.06479	0.8
151.07640	1.4
153.09213	1.2
161.02405	2.0
164.07205	0.9
165.01988	0.9
169.10130	0.7
171.11813	11.9
172.12196	0.6
175.03990	0.6
176.01097	0.7
177.05595	1.4
178.02734	30.5
179.03290	2.4
189.12877	4.8
191.03584	1.1
193.05074	100.0
194.05365	5.6
201.12912	4.6
203.03600	0.6
207.13945	2.1
219.13887	1.0
221.04637	0.8
227.07127	8.4
228.07529	0.9
237.14986	12.6
238.15282	0.9
239.07190	0.6
255.10344	1.7
281.03415	1.1
281.06689	37.8
281.13943	60.1
282.07010	2.6
282.14334	5.7
343.08243	1.1
546.08380	0.7
608.73828	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.2
59.01380	5.9
61.98843	7.5
69.03454	1.4
69.17255	11.0
71.01375	3.7
82.02982	7.3
85.02962	1.8
90.51269	1.2
93.03435	1.4
94.02990	2.2
96.04534	1.7
96.96020	3.2
98.21806	2.9
101.02444	2.0
104.44691	1.3
109.06624	1.4
110.02476	2.3
110.06107	1.9
111.96574	1.5
112.04057	2.2
113.02455	3.9
116.58411	1.4
120.04559	4.9
121.06590	1.1
122.06135	4.6
129.05585	3.8
132.04539	2.1
134.03745	1.6
135.04515	3.9
136.07712	2.9
136.26404	1.4
138.05608	1.4
138.09209	3.3
145.02986	1.4
147.03279	1.9
147.04474	2.8
148.04054	44.4
149.04710	1.4
150.05618	31.5
150.94003	1.2
154.05096	2.8
160.04037	12.9
161.02599	3.2
161.04845	71.6
162.05461	3.7
164.03569	8.4
164.07219	1.3
168.06609	3.8
173.03613	6.4
173.04836	1.7
173.06071	5.0
174.04335	11.3
174.05644	3.0
175.05145	47.5
176.03569	6.4
176.05774	4.5
179.03615	1.6
186.05612	4.1
187.06377	2.6
189.06725	3.5
190.07455	10.7
191.08305	7.2
192.03070	1.8
194.04593	21.7
195.04945	1.3
199.07664	1.5
200.07185	3.0
201.07820	10.1
201.09511	2.3
202.03851	4.6
202.07281	1.6
202.08792	19.4
203.03575	2.4
204.06612	2.0
207.10338	2.2
208.10777	1.7
211.07237	6.4
214.05284	1.5
215.05948	2.6
216.06665	5.0
225.11314	2.1
226.08765	2.1
227.07164	6.6
228.06757	5.8
229.07396	1.7
231.07817	3.0
232.08551	9.3
233.09312	29.3
234.09697	2.0
242.08250	3.0
243.07405	1.2
243.09084	2.6
244.09856	100.0
245.06792	3.3
245.09647	13.6
246.07762	4.5
263.10236	1.5
285.03940	1.9
286.06891	1.8
286.09647	3.9
287.08054	1.6
287.10483	19.0
288.08728	26.1
288.11578	2.0
305.11481	41.7
306.11630	2.0
309.08755	2.6
312.13550	2.5
314.84702	1.5
318.68646	1.3
318.72556	1.2
331.09286	2.8
352.09268	6.8
370.10355	4.5
370.17731	4.1
371.11444	2.1
381.18237	1.5
382.17972	1.5
383.15884	2.3
396.15491	1.4
400.18597	4.0
424.18732	3.9
425.17325	3.8
426.16486	2.0
428.14655	2.3
442.19922	10.5
454.19907	8.5
455.18320	19.5
456.18323	3.6
459.88379	1.4
472.20950	20.3
473.21008	3.8
498.18848	5.6
499.16168	5.4
500.16791	98.8
501.17072	17.4
637.24994	10.4
638.24982	1.7
649.25018	2.0
667.26263	22.1
668.26160	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	667.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79064	1.4
52.20501	1.4
54.69878	1.4
55.68811	1.6
59.01373	7.6
61.98808	3.6
69.11997	14.8
71.01370	4.0
73.02947	2.1
82.02975	5.7
85.02984	1.8
89.02454	2.3
95.20535	1.4
99.00865	2.3
101.02404	1.9
110.02440	2.1
113.02399	3.6
119.05021	1.9
120.04539	4.3
120.05386	1.3
121.02953	2.7
121.06599	1.6
122.02532	1.8
122.06106	2.5
134.02885	1.7
134.03758	24.5
135.04425	2.2
136.07660	1.7
137.02411	2.4
138.09180	3.5
145.02827	2.9
147.04515	5.3
148.02954	1.9
148.04050	28.3
148.05145	1.5
149.04362	1.6
149.06065	13.8
150.05585	20.7
154.05121	3.4
155.34099	1.3
156.50253	1.6
160.04015	10.5
161.02457	3.7
161.04842	50.7
162.05368	3.2
164.03476	5.1
165.05452	1.8
168.06657	2.2
172.05307	2.2
173.03551	6.1
173.06027	4.2
174.04350	9.2
174.05614	3.0
175.05145	42.2
176.03441	5.6
176.05772	5.2
178.02763	7.7
179.03394	3.4
186.05460	2.7
189.06656	3.0
190.07440	8.9
191.06915	2.2
191.08282	4.3
192.04378	10.1
193.05058	11.7
194.04556	18.2
200.07095	3.4
201.07880	6.6
201.09431	2.6
202.03864	3.4
202.08826	8.7
207.06653	8.1
211.07220	5.4
215.05855	1.9
216.06677	3.5
216.10152	1.8
221.04358	1.5
226.08675	1.7
227.07034	5.4
228.06493	3.4
229.07326	2.3
231.07721	3.1
232.08519	8.3
233.09317	22.2
239.07066	2.9
241.09808	1.8
242.08183	2.3
243.07614	2.6
243.08743	1.8
243.11212	2.6
244.09834	76.3
245.06931	2.8
245.09560	8.9
246.07613	3.0
251.07011	2.2
252.07310	2.7
264.07373	1.6
266.05585	2.0
267.06546	8.7
268.06827	5.7
269.07053	3.1
270.07715	2.6
279.06506	3.6
280.07025	2.5
281.08319	1.7
282.08795	4.4
283.09167	2.7
284.09473	3.2
286.09579	3.2
287.10477	15.1
288.08701	16.6
294.05322	3.1
294.08524	2.2
295.05771	3.3
295.09213	2.7
296.06122	2.5
296.09457	3.4
297.11090	3.4
298.11511	2.4
299.12054	2.9
305.08218	2.2
305.11435	32.0
306.11658	3.8
309.07846	4.7
310.08066	4.4
312.13440	1.5
324.05753	2.5
326.07816	2.0
338.07828	4.6
339.08170	5.7
340.08490	5.7
341.09555	2.4
342.10306	3.2
343.11057	2.0
352.09235	3.3
353.10120	4.4
354.10522	4.6
355.10962	7.1
370.10300	3.2
370.17337	2.4
371.11072	4.3
373.12601	3.1
400.18350	2.0
412.18976	1.9
424.18600	4.4
425.17300	2.6
426.16779	2.3
442.19672	7.3
443.19760	1.8
446.13681	2.1
454.19687	5.4
455.18155	15.6
470.19144	2.6
472.20831	13.6
473.21387	2.1
498.18817	3.2
499.15924	4.4
500.16772	64.9
500.24091	3.3
501.17111	10.9
535.16992	2.4
603.98016	1.5
623.22064	2.5
637.24524	5.9
638.25177	1.9
649.19849	1.9
667.21539	100.0
668.21832	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	667.2782
Annotation	Swietephragmin D
Peak:m/z	Relative Intensity
51.38359	4.7
51.55391	5.0
56.43975	4.9
61.98854	5.9
69.06439	26.6
69.06858	27.0
74.91793	4.1
87.20700	6.4
127.13055	4.8
165.90186	5.4
171.10309	17.3
192.27171	5.2
203.84729	5.1
205.41232	5.7
228.14249	5.4
237.06721	5.8
277.21750	20.5
288.14926	4.8
299.04340	5.3
489.19403	15.3
533.18414	7.3
549.21375	8.2
555.28363	8.9
633.38660	5.4
635.25183	100.0
636.25702	41.3
652.25391	17.2
667.27832	45.6
668.27710	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	667.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	7.5
68.55647	2.8
69.23631	21.3
70.56853	2.4
106.06646	24.7
134.06154	3.3
211.08754	6.1
223.08730	5.3
250.07289	3.4
328.14612	9.8
330.16132	6.8
340.10831	3.6
356.14099	8.2
382.43103	2.8
459.14667	4.2
461.20184	4.8
473.16071	16.1
474.16626	3.5
475.18237	4.3
489.19348	26.2
490.19720	7.5
491.20840	6.6
532.17377	3.4
533.18481	7.3
547.19989	3.6
548.20215	4.9
549.21198	8.7
575.23151	7.3
635.25146	100.0
636.25873	36.5
637.26807	11.1
667.27710	89.6
668.28223	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39684	2.6
59.01373	3.2
69.41984	3.0
70.17722	7.1
71.01376	4.0
84.03070	2.8
89.06162	2.8
91.04169	2.7
98.21815	2.9
104.50742	2.5
106.06641	5.5
112.61532	2.9
124.88485	3.0
125.89147	2.9
171.10274	14.3
212.45284	3.0
269.24911	6.0
277.21848	7.9
323.84836	2.7
397.13303	6.3
434.21475	4.6
458.21075	3.7
461.20047	5.2
475.17780	22.0
476.22290	9.8
477.23132	5.3
489.19241	8.5
490.20172	4.7
501.23074	5.2
505.22507	5.3
517.22388	6.5
518.23260	3.1
534.19171	7.9
549.21497	31.7
550.21246	3.2
559.23462	19.3
591.25867	5.0
635.25146	100.0
636.25342	28.5
667.27649	69.1
668.28094	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	667.334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22155	0.6
55.01887	0.7
57.03455	4.3
57.73275	0.8
59.01390	2.7
65.03967	1.5
68.17461	0.5
69.34188	0.5
71.01368	0.6
83.05047	4.8
87.00887	7.9
90.20902	0.6
93.03495	1.2
95.05034	1.5
97.02972	0.6
99.04545	0.6
109.02962	1.2
111.00866	0.7
111.04528	2.4
111.08156	1.2
119.05000	0.7
119.08662	0.9
121.02999	1.6
121.06618	3.5
123.08179	12.5
123.09022	1.1
124.05318	0.6
124.08516	0.7
129.07108	0.7
133.03009	2.1
134.03757	32.3
135.04617	2.7
137.02444	4.9
137.06090	1.1
137.09764	1.1
138.06847	0.6
139.03963	2.7
139.07648	2.2
145.02945	0.7
145.10248	1.8
149.06091	14.2
150.03177	1.1
151.07709	1.8
153.09171	1.8
161.02477	1.7
163.11295	0.7
169.08809	0.8
169.10246	1.9
171.11832	16.0
172.12175	1.0
177.05597	1.4
178.02740	25.4
179.03375	2.5
185.09598	0.8
189.12921	5.4
193.05080	79.5
193.99760	0.5
194.05405	5.5
201.12875	6.7
202.40141	0.5
203.03398	0.7
207.13930	3.9
215.44388	0.6
219.13890	1.9
221.04546	1.1
227.07187	6.2
237.14967	19.6
238.15248	1.4
255.10304	1.5
281.06732	33.1
281.13950	100.0
282.07037	2.7
282.14325	7.1
341.10001	0.7
343.08176	1.6
445.11221	0.8
470.18979	0.9
494.04919	0.7
502.41867	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47352	1.8
59.01385	7.9
63.07708	1.6
63.80207	1.7
69.43728	10.7
70.55664	1.4
71.01385	9.1
72.99303	1.5
73.02949	6.3
73.06881	1.4
81.03458	2.6
83.01400	7.9
83.05030	1.6
85.02975	4.0
87.00882	100.0
89.02460	5.3
93.03461	25.7
96.96011	1.8
98.21775	1.7
99.00920	4.5
99.04514	2.4
101.02444	14.8
103.49494	1.7
107.05045	3.3
108.02220	1.6
111.00929	2.1
111.04546	7.8
113.02462	6.4
117.03496	9.8
119.03577	1.7
119.05038	45.8
121.02969	6.8
127.00374	2.3
131.05017	3.3
131.07156	3.4
132.05833	2.2
133.03006	3.3
133.06612	3.5
134.03728	2.6
135.04530	6.1
135.08173	2.5
136.01662	2.4
137.02435	10.0
138.16953	1.9
143.05034	7.6
145.02948	21.6
145.06596	12.8
146.03658	2.9
147.04512	4.3
149.06076	2.4
150.03271	4.4
151.04024	5.3
159.04530	4.0
161.04706	1.4
161.06120	7.6
163.04033	41.8
163.07678	10.1
164.04472	2.3
165.05521	7.9
171.04546	38.8
175.03993	4.7
179.07133	13.8
181.05132	9.3
187.04057	6.9
189.05586	72.8
189.07329	3.5
190.05965	5.3
191.05734	2.5
203.03436	2.0
203.18707	1.8
207.06641	25.6
215.03557	6.4
217.05063	8.5
225.04106	12.9
233.04501	10.9
235.06212	1.9
243.05101	5.3
293.12509	10.7
301.07321	2.3
305.12424	2.5
327.12384	5.0
343.10657	3.3
344.13431	6.6
357.13507	1.8
425.14487	26.5
426.14661	2.4
489.16229	5.4
495.15192	24.2
495.21994	2.9
496.15640	4.5
513.16113	21.6
651.22412	5.0
669.20380	94.3
670.20459	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	669.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64658	1.3
59.01386	10.5
69.22157	10.0
71.01391	7.8
72.99262	1.3
73.02959	1.7
74.18757	1.2
83.01402	3.5
83.05032	1.4
85.02936	4.2
87.00887	100.0
88.01273	1.2
89.02435	6.5
90.03947	1.2
93.03481	9.5
95.01430	1.5
95.23701	1.2
96.96013	1.8
99.00887	3.8
101.02462	9.7
107.05009	2.0
109.02950	2.8
111.04533	2.4
113.02453	4.2
117.03469	3.5
119.03693	1.5
119.05045	37.1
120.05386	2.0
121.02958	9.4
123.04523	1.4
131.07190	1.1
134.03786	1.6
134.43710	1.2
135.04536	2.1
136.01677	1.9
137.02440	4.2
143.05038	4.7
145.02969	8.8
145.06607	4.6
146.03725	1.6
147.04556	2.0
149.02466	2.5
150.03200	4.4
159.04539	2.7
161.04677	2.2
161.06097	4.9
163.02731	2.2
163.04024	31.8
163.07663	3.8
164.04543	2.1
165.05562	6.6
171.04558	21.1
175.03961	3.0
179.07129	5.1
181.05034	1.8
187.03972	4.6
189.05594	31.9
190.05917	1.9
191.05661	1.4
191.07318	1.5
195.06577	2.5
195.08206	2.7
200.99640	4.7
201.01521	1.9
207.06659	11.8
217.05083	16.7
225.04082	1.3
233.04546	4.6
238.56822	1.4
243.05135	1.6
257.08273	1.3
279.10977	1.6
283.81555	1.2
293.12488	3.4
297.11285	2.4
299.09589	1.3
301.07211	5.8
305.12485	4.5
325.09393	1.3
327.12500	6.0
339.12381	1.6
344.13571	17.0
357.13202	2.2
425.14603	7.8
489.16150	5.8
495.15256	16.3
496.15298	1.4
513.16229	12.7
581.18665	5.5
651.23297	6.1
669.20398	35.5
670.20581	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	669.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64658	1.3
59.01386	10.5
69.22157	10.0
71.01391	7.8
72.99262	1.3
73.02959	1.7
74.18757	1.2
83.01402	3.5
83.05032	1.4
85.02936	4.2
87.00887	100.0
88.01273	1.2
89.02435	6.5
90.03947	1.2
93.03481	9.5
95.01430	1.5
95.23701	1.2
96.96013	1.8
99.00887	3.8
101.02462	9.7
107.05009	2.0
109.02950	2.8
111.04533	2.4
113.02453	4.2
117.03469	3.5
119.03693	1.5
119.05045	37.1
120.05386	2.0
121.02958	9.4
123.04523	1.4
131.07190	1.1
134.03786	1.6
134.43710	1.2
135.04536	2.1
136.01677	1.9
137.02440	4.2
143.05038	4.7
145.02969	8.8
145.06607	4.6
146.03725	1.6
147.04556	2.0
149.02466	2.5
150.03200	4.4
159.04539	2.7
161.04677	2.2
161.06097	4.9
163.02731	2.2
163.04024	31.8
163.07663	3.8
164.04543	2.1
165.05562	6.6
171.04558	21.1
175.03961	3.0
179.07129	5.1
181.05034	1.8
187.03972	4.6
189.05594	31.9
190.05917	1.9
191.05661	1.4
191.07318	1.5
195.06577	2.5
195.08206	2.7
200.99640	4.7
201.01521	1.9
207.06659	11.8
217.05083	16.7
225.04082	1.3
233.04546	4.6
238.56822	1.4
243.05135	1.6
257.08273	1.3
279.10977	1.6
283.81555	1.2
293.12488	3.4
297.11285	2.4
299.09589	1.3
301.07211	5.8
305.12485	4.5
325.09393	1.3
327.12500	6.0
339.12381	1.6
344.13571	17.0
357.13202	2.2
425.14603	7.8
489.16150	5.8
495.15256	16.3
496.15298	1.4
513.16229	12.7
581.18665	5.5
651.23297	6.1
669.20398	35.5
670.20581	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	669.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38837	14.2
59.01380	45.4
60.41542	15.3
61.98835	100.0
67.32700	14.9
71.01410	40.7
71.29390	30.0
82.95407	24.2
84.54940	15.5
85.02962	36.0
89.02459	25.1
93.03501	19.2
93.08172	18.3
96.96047	58.1
101.02450	24.9
110.02518	18.2
110.20843	14.2
113.02474	56.4
116.92865	18.4
119.05026	25.2
121.30497	13.5
121.83225	13.5
133.02927	24.2
135.04498	34.0
145.02972	26.8
161.02487	45.4
190.07507	20.8
190.52858	16.2
191.05609	38.8
232.08560	23.0
300.81598	15.4
470.19217	59.2
471.44736	16.2
633.25739	71.6
634.25342	23.4
648.99646	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	669.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89984	1.1
55.01866	1.3
59.01390	6.5
61.24521	1.0
62.56245	1.0
69.44912	5.4
69.45317	1.8
71.01388	17.0
73.02946	5.1
83.01387	2.1
85.02965	4.5
89.02447	5.8
91.82689	1.3
99.00884	19.7
101.02446	10.4
101.85137	1.0
108.02217	2.3
109.02967	16.0
111.00911	1.5
113.02480	6.6
113.03152	1.1
121.02950	1.4
122.03766	1.6
123.00882	1.8
123.04563	2.3
124.01777	1.1
131.03546	1.9
134.03735	1.2
136.01668	20.7
136.56956	1.1
137.02437	3.4
137.40919	1.3
143.03531	1.5
145.02925	3.2
146.03770	7.5
147.04549	2.8
149.02493	2.7
150.03207	8.4
151.04021	24.2
152.04405	1.4
158.03741	3.6
159.04504	1.8
160.05281	2.4
161.04514	4.1
161.05998	2.4
163.03983	2.0
164.04802	2.8
165.05573	12.8
165.77365	1.1
171.04504	1.2
172.05289	2.2
173.06137	2.1
175.04007	10.8
176.04791	20.3
177.05493	2.1
179.07129	3.8
187.04002	1.5
188.04800	2.7
189.05548	4.0
190.06337	5.3
191.05623	2.7
191.07152	28.0
192.07545	1.4
193.05060	1.7
195.06612	2.3
202.06474	1.4
203.07191	3.8
239.07176	1.6
250.06323	1.4
251.07184	4.6
261.05527	2.0
262.06250	1.2
263.06934	1.6
266.05759	1.9
266.09485	1.7
267.06659	8.1
269.08109	1.1
279.06628	10.7
280.06976	1.8
281.08185	10.3
282.08978	8.2
283.09616	2.3
293.08487	3.5
294.09137	6.9
296.10483	6.9
297.07788	3.1
297.11218	20.1
309.11346	2.8
312.10095	17.3
313.10660	3.2
324.10016	6.7
325.10660	1.3
327.12402	76.1
328.12665	8.2
330.09564	1.1
339.12360	31.9
340.12671	2.7
357.13452	31.6
358.13770	3.1
359.14981	2.2
375.14346	2.1
489.16422	13.0
490.16925	1.6
501.17514	1.4
519.18451	2.7
520.19122	1.6
545.19482	1.4
621.21851	13.9
622.22089	2.0
633.21948	21.3
634.21765	2.7
651.22992	100.0
652.23285	18.0
653.42804	1.3
669.23267	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	669.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.7
71.01382	15.1
71.29327	1.2
73.02957	5.5
83.01400	2.0
85.02974	4.6
87.00889	1.8
89.02460	3.4
93.03500	1.9
97.02994	1.3
99.00890	20.0
101.02460	12.0
107.99321	1.2
109.02989	3.0
113.02473	6.7
117.03473	1.6
119.03483	1.2
119.05041	1.8
121.02974	5.4
122.03770	6.2
123.04517	1.8
127.88295	1.1
131.03522	1.4
132.02174	2.7
132.04584	3.2
133.02945	1.3
134.06102	1.9
135.04535	3.0
136.01701	6.1
137.02457	2.0
143.03506	2.2
145.02982	2.1
146.03757	30.3
147.04462	4.6
149.02457	14.7
150.03242	56.4
151.04027	11.5
152.04510	1.2
153.05498	1.2
159.04579	1.2
161.02451	1.9
161.04602	5.6
161.06119	9.1
162.03259	2.3
163.04056	2.4
164.04813	28.9
165.05580	87.3
166.05945	3.7
175.04042	2.5
176.04860	2.9
177.05617	4.7
179.03528	2.3
179.07143	26.7
180.04283	2.9
180.07379	1.1
181.05132	1.3
191.05679	5.4
191.07097	6.3
194.79936	1.1
195.06673	16.4
200.25008	1.1
218.31454	1.0
227.07089	1.3
257.13071	2.0
267.06711	2.3
267.45258	1.2
279.06683	2.3
281.08200	1.8
283.10800	4.1
293.08673	2.6
294.08920	1.7
297.07977	1.2
297.11295	2.7
301.12061	1.7
312.10028	7.1
324.10184	1.1
327.12512	26.7
328.12787	2.2
339.12424	4.6
345.10904	5.8
357.13510	6.0
375.14542	6.8
459.14825	1.4
489.16177	100.0
490.16559	10.2
621.21960	1.7
633.22015	3.8
651.23315	13.0
652.23230	3.1
669.21722	15.8
670.21979	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	14.4
59.14730	2.0
69.44023	13.4
71.01397	26.8
73.02959	11.4
83.01392	3.3
85.02961	12.5
87.00880	5.0
89.02443	9.7
89.57714	2.0
93.03467	5.6
95.01381	3.2
96.96046	2.6
99.00900	28.4
101.02468	16.8
108.02194	7.1
109.02967	26.0
113.02473	9.0
115.36384	2.2
116.45726	2.3
117.03472	2.2
119.05012	7.0
121.02975	9.1
123.00880	3.6
123.04601	4.4
133.26495	1.8
135.04526	6.4
136.01678	41.3
137.02435	4.6
143.03499	2.5
145.03018	6.0
146.03772	8.9
147.04503	4.5
150.03299	12.1
151.04019	49.2
158.03748	4.7
159.04477	5.4
160.05232	5.0
161.02408	2.3
161.04643	4.0
161.06076	8.1
163.04079	3.7
164.03558	3.4
164.04819	2.9
165.05580	14.7
171.04384	3.9
173.06071	4.8
175.03975	17.9
176.04825	28.3
177.05536	4.9
187.04019	6.2
188.04762	3.3
189.05598	10.9
190.06308	7.9
191.05598	8.2
191.07167	41.1
195.06664	3.2
197.35730	2.5
203.07143	4.6
205.05014	2.9
215.03583	2.7
217.04918	2.4
221.08170	7.4
239.07147	3.1
249.05475	2.1
250.06383	2.8
251.07280	5.2
261.05530	2.5
266.05762	3.6
266.09525	3.8
267.06631	24.2
267.09467	2.8
278.05881	4.2
279.06592	16.2
281.08337	14.4
282.08997	16.8
283.09717	4.1
293.08398	6.0
294.09033	9.0
296.10620	11.1
297.07809	7.1
297.11310	43.8
298.11713	5.0
309.11273	2.7
312.10068	21.3
313.10855	4.4
315.12494	2.7
324.09985	8.1
327.12418	100.0
328.12680	11.4
339.12366	35.9
340.12817	3.2
357.13477	31.5
358.13409	2.7
375.14471	4.3
417.15735	4.2
445.13678	6.4
489.16495	7.8
519.19019	4.9
545.18750	7.8
621.21405	11.9
622.21698	3.1
633.21637	20.2
634.22174	2.9
651.22968	97.0
652.23358	18.3
669.24011	36.0
670.23914	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	669.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93686	1.3
55.01880	1.7
57.03448	3.8
59.01384	24.4
63.35629	1.3
67.05531	1.5
69.03455	1.3
71.01385	16.6
73.02949	2.3
78.13985	1.4
80.02643	2.6
81.03448	6.6
83.01388	4.0
83.05028	5.3
85.02963	6.3
87.00883	3.9
89.02458	7.9
90.64862	1.3
93.03471	2.2
95.05045	5.1
97.02959	10.9
97.06590	7.4
99.00893	2.0
101.02474	11.4
107.05045	3.8
108.02189	3.4
109.02970	2.5
109.06599	47.3
110.03771	2.8
110.06966	2.2
110.16242	1.3
113.02467	7.7
121.06622	3.9
123.08186	4.7
125.09745	26.2
134.03893	1.6
135.08188	6.6
136.05327	1.7
137.09755	1.5
142.02708	3.9
145.05116	2.2
161.04596	3.0
161.09669	7.2
163.11301	26.9
164.11604	1.6
171.10274	2.4
175.11273	4.2
179.10863	2.1
181.12328	6.2
185.11887	3.3
187.09760	13.6
189.09256	2.5
191.10739	7.1
207.10277	90.2
208.10599	5.9
209.11842	31.4
210.12251	2.1
217.12401	1.9
219.10323	4.1
219.13966	3.0
223.09830	4.6
223.13368	3.2
225.09184	3.3
225.11310	41.9
226.11641	2.8
229.12338	3.1
235.08276	5.5
235.13394	3.2
237.11340	5.6
245.11833	3.4
253.09407	7.2
261.11389	2.7
263.12875	9.9
281.13974	2.3
301.21753	1.5
327.19751	3.0
341.21213	1.7
343.19073	2.4
351.19669	2.5
353.17303	2.2
353.21295	2.8
361.20361	3.2
369.20691	5.4
371.18527	7.6
371.22534	2.5
379.19830	2.2
387.21771	4.8
389.19604	9.6
389.23901	2.1
397.20432	10.3
405.17691	3.0
405.22876	1.7
415.21283	28.9
416.21533	3.8
432.24741	1.5
433.22192	7.5
434.35852	1.6
443.19577	2.7
461.20142	11.8
463.23666	1.8
507.26376	1.8
597.29175	5.1
607.27643	21.9
608.27704	2.4
623.30945	4.9
625.28668	48.8
626.28717	10.3
633.29413	13.6
634.29462	1.9
651.30237	100.0
652.30603	19.5
657.99432	1.8
669.31256	41.8
670.31256	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	669.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27896	1.9
59.01386	26.0
69.06522	5.1
69.06940	13.0
71.01381	15.1
72.99308	2.1
73.02957	4.4
81.03465	5.9
83.01398	3.3
83.05032	7.5
85.02950	5.2
87.00902	4.6
89.02457	9.3
93.03450	1.8
95.01381	3.1
95.05039	7.0
97.02962	12.7
97.06612	4.9
99.00888	3.1
100.14360	1.9
101.02451	11.8
107.04990	3.2
109.06606	34.3
110.03727	5.4
111.04546	5.2
113.02476	5.5
121.06572	3.5
123.08172	3.8
125.09740	14.1
132.43478	2.1
135.08203	7.7
149.09589	2.0
151.11314	2.9
161.04561	4.5
161.09764	4.6
163.11322	21.5
164.11702	3.5
169.12411	2.0
171.10332	4.4
175.98625	2.0
177.09200	3.2
179.10771	5.8
181.12401	5.4
187.09741	5.8
189.09238	5.3
196.99493	2.0
205.08771	2.8
207.10275	76.3
208.10658	4.9
209.11803	28.1
221.11961	2.2
223.09753	19.6
223.13461	2.8
225.11337	100.0
226.11681	7.1
227.12875	2.7
235.08260	5.8
235.13377	4.1
253.09383	13.1
263.12949	4.0
331.19296	3.5
353.17395	2.5
353.21249	2.6
369.20694	1.8
371.18655	3.0
387.21896	3.2
389.19229	2.5
389.23709	3.0
397.20364	4.9
405.23138	2.0
415.21338	13.3
416.21844	2.2
433.22333	3.7
443.19119	5.0
461.20361	20.1
462.20865	3.1
512.42438	2.4
536.18951	2.7
559.92615	1.8
597.29626	3.5
607.28021	6.9
623.31201	4.3
625.28754	15.2
626.29321	3.6
633.29242	9.8
641.31439	2.3
651.19159	2.2
651.30255	63.2
652.30237	13.5
669.31195	75.1
670.31769	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	669.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.1
57.04395	1.3
59.01385	24.0
61.98837	3.4
67.78802	1.1
69.03420	1.4
71.01391	17.8
73.02943	3.8
81.03451	7.2
83.01384	3.3
83.05048	7.1
85.00468	1.5
85.02944	7.0
87.00895	4.0
87.34305	1.4
89.02453	9.0
93.03484	2.4
95.01371	2.5
95.05029	5.8
97.02969	10.8
97.06578	8.5
99.00903	2.5
101.02451	14.6
107.05011	1.6
108.02178	3.0
109.02943	2.9
109.06598	39.2
110.03713	2.1
110.06941	1.6
113.02464	8.0
119.03558	2.0
121.06574	3.6
123.04535	2.5
123.08192	4.9
125.02472	3.0
125.06091	1.8
125.09738	27.9
135.04558	2.5
135.08191	5.5
136.05267	1.8
142.02719	3.3
145.05115	1.7
147.08136	1.6
161.04553	1.9
161.09727	4.9
163.11317	22.7
165.05659	1.5
165.09222	2.6
171.10316	2.5
173.09729	1.8
175.11317	4.4
179.10800	3.4
181.12366	5.2
185.11800	2.3
187.09808	10.9
189.09338	2.6
191.10768	1.9
191.14453	1.6
193.12447	1.8
201.09274	1.7
203.10809	2.1
207.10280	82.6
208.10631	6.3
209.11853	31.4
215.07343	2.0
219.10321	5.1
219.13893	2.9
223.09848	5.1
223.13441	2.2
225.11333	43.0
226.11786	3.8
229.08871	1.5
235.08290	3.0
235.13426	3.5
237.11359	6.2
237.15128	1.5
245.11758	3.1
253.09276	7.6
256.07358	1.8
261.11334	3.8
263.12872	6.7
271.13599	1.7
273.11407	1.7
299.15094	1.9
317.21375	1.9
325.21713	1.8
327.19714	4.0
340.89697	1.6
345.20599	4.4
353.17450	3.2
353.21451	3.3
361.20038	1.9
365.45047	1.5
369.20630	4.2
371.18573	7.2
371.22443	3.4
379.21472	3.4
387.21814	4.9
389.19528	8.4
397.20169	7.1
405.17978	2.5
405.22775	3.1
407.20401	1.7
415.21332	23.2
416.21634	4.3
423.18787	1.8
433.22504	8.5
443.19104	2.5
461.20569	10.2
597.29047	4.9
597.66461	1.7
607.27594	23.0
608.27960	6.0
623.30646	3.9
625.28656	43.6
626.28912	8.1
633.29272	11.6
634.29553	3.4
651.30255	100.0
652.30585	22.0
669.31250	43.2
670.31824	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	669.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	32.5
59.01378	8.5
61.98841	3.5
68.99564	2.6
69.03461	4.4
70.35495	2.1
70.35844	1.1
71.01376	4.8
73.02958	1.4
81.03444	1.4
82.95408	1.7
83.01391	0.9
83.05045	1.0
85.02964	5.2
87.00878	1.4
87.04521	7.3
88.98778	0.8
89.02451	3.3
95.05048	0.8
96.96037	1.0
97.06592	1.2
99.04532	1.0
101.02438	2.6
109.06593	2.4
112.98555	2.3
113.02444	2.3
113.06084	2.9
116.92876	2.3
119.05020	0.9
121.06641	1.2
123.08163	0.8
125.09704	2.2
127.07684	0.9
135.04555	1.7
136.05315	34.1
137.02477	1.6
145.02954	0.8
149.06100	6.2
150.06828	1.2
155.07130	3.2
162.06879	6.3
163.11273	1.0
173.08200	100.0
174.01709	0.9
174.08551	2.9
185.08168	2.1
189.09122	0.8
203.09196	4.9
207.10269	5.9
209.11871	2.8
225.09337	0.9
225.11269	3.6
253.09052	1.2
291.18814	0.9
305.21246	1.9
318.18491	2.2
332.19901	2.0
333.20743	26.2
334.21191	2.2
415.21655	1.1
489.28711	1.5
507.29422	1.3
623.31781	0.8
625.28931	3.0
633.26422	1.5
651.29968	5.9
652.30481	1.0
669.34985	79.2
670.35425	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22749	1.5
59.01383	26.1
61.98834	1.6
69.21104	1.9
69.21503	13.6
71.01389	17.1
78.89713	1.5
85.02952	5.2
87.00874	4.1
89.02448	19.1
96.04529	2.2
98.14865	1.6
98.22579	3.4
101.02431	9.4
113.02496	7.7
119.03533	8.7
119.05022	12.5
120.05331	2.6
121.02951	7.6
122.71526	1.7
136.01692	2.2
145.02991	2.8
150.03249	2.2
151.04022	1.6
161.04536	1.6
161.06007	2.0
163.04021	12.0
164.04451	1.5
165.05594	4.2
170.08347	1.7
191.07106	2.4
195.06573	2.1
242.02792	1.6
304.98999	1.6
325.09174	3.8
327.12366	2.1
328.12701	3.2
344.13516	100.0
345.13791	8.1
362.82224	2.1
490.16702	1.9
512.68262	1.9
598.96979	1.8
652.23328	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	671.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45224	1.0
55.81034	1.1
59.01390	15.5
70.80367	2.7
71.01382	10.9
85.02932	2.5
85.06603	5.6
87.00877	5.6
89.02460	7.5
92.96726	1.1
93.03471	1.6
95.01437	0.9
96.96004	1.7
101.02456	5.5
107.05079	2.5
113.02443	3.5
115.07611	1.1
119.03497	3.2
119.05038	3.0
121.02953	1.4
131.07159	28.4
134.03712	1.2
135.04543	100.0
136.04852	3.8
142.16772	1.4
145.02940	1.9
151.03998	3.4
162.14369	1.0
163.04015	4.7
166.02802	1.2
166.05035	1.6
179.03519	26.1
180.03761	1.8
181.05101	1.5
189.05739	1.7
293.12469	61.9
294.12790	4.9
313.09259	1.5
325.09235	1.7
335.00089	1.2
341.08823	35.1
342.09137	3.5
344.13632	1.2
377.06464	24.6
378.06784	2.4
385.75015	1.1
396.10358	1.3
496.15939	1.4
497.15314	1.4
671.21161	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	671.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93393	4.7
59.01392	12.2
61.98822	5.7
71.32670	9.2
83.44594	5.7
84.95137	5.6
85.02966	7.6
87.00864	10.7
96.96033	7.7
113.02421	6.5
118.86034	6.4
120.04539	5.3
133.02966	5.8
134.03761	7.2
135.04550	5.8
136.07744	5.8
148.04079	37.5
150.05588	19.1
150.06775	10.0
160.04083	12.8
161.02597	8.8
161.04832	69.0
162.05492	6.8
164.03502	5.5
173.63020	4.8
174.04346	10.2
175.05147	64.8
190.07610	10.1
191.08261	11.4
202.08752	10.5
203.04660	19.5
209.12085	5.4
228.06688	5.4
232.08522	15.3
233.09329	29.0
244.09837	77.8
245.09679	7.0
261.08551	6.3
288.08789	11.0
300.03293	6.4
305.11484	20.5
326.57330	6.1
338.11627	9.8
442.19852	6.8
468.17798	100.0
469.18262	7.4
472.21228	15.6
541.91516	5.3
605.26068	18.9
635.26880	40.0
671.36230	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	671.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88273	3.1
57.03441	6.0
59.01367	12.9
61.98835	4.9
70.00304	2.8
71.01394	9.6
71.10490	2.9
71.29469	4.2
73.02958	3.7
85.02962	6.3
87.00880	3.4
96.96003	8.1
101.02444	4.5
109.48964	3.2
113.02464	8.4
119.05039	8.9
121.06582	3.3
125.76357	3.2
135.04549	3.8
136.05339	19.1
137.02428	4.5
143.24280	3.6
148.04048	18.0
149.04877	2.7
149.06100	15.2
150.05641	8.4
152.01311	3.1
158.30228	3.7
160.04079	5.8
161.02438	5.1
161.04820	20.3
162.06883	4.1
163.04022	11.3
173.03545	11.3
174.04257	3.8
175.05168	26.9
190.07463	3.7
191.05704	9.0
191.10805	15.6
202.08844	3.9
203.04822	3.6
216.06471	5.6
232.08517	4.1
233.09366	6.7
244.09898	28.4
250.45888	3.9
273.18710	4.4
282.04886	4.1
288.08835	4.9
305.11511	4.8
342.06439	4.8
343.06549	3.8
372.31647	3.7
468.17770	30.6
470.19418	4.9
491.11459	10.8
491.29843	9.7
508.14368	20.4
509.31091	18.2
510.30936	4.5
534.12268	17.5
535.12024	5.6
605.26007	7.0
635.27057	15.0
653.19897	4.7
671.18945	16.6
671.36627	100.0
672.36707	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	671.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.0
59.01380	11.8
69.02839	5.8
69.03454	0.8
71.01390	6.5
73.02951	1.0
75.52905	0.8
76.47856	0.7
80.02681	1.5
81.03475	2.8
83.01420	0.6
83.05023	8.1
84.02187	2.1
85.02957	2.3
87.00888	1.8
89.02451	3.8
93.03487	1.8
95.01396	0.9
95.05056	0.9
96.96083	0.6
97.02968	6.4
97.06621	1.2
98.21698	1.1
99.00879	0.9
101.02445	6.4
109.06602	24.9
110.03763	1.7
113.02451	2.1
115.90221	0.7
119.03517	1.0
121.06615	1.6
123.08150	0.6
125.09714	2.9
134.30435	0.6
135.08171	4.7
136.05334	1.3
142.02748	1.4
142.92815	0.7
145.05103	1.1
161.04558	1.6
161.09740	2.1
162.10039	0.7
162.47670	0.7
163.11313	18.8
164.11633	1.1
165.09297	0.7
165.12836	3.2
168.00018	0.7
171.10284	2.9
181.12364	4.9
181.37894	0.7
185.11911	2.3
187.09723	0.9
189.09169	2.0
191.10788	0.9
207.10286	64.7
208.10661	6.5
209.11855	100.0
210.12160	7.8
213.09215	0.8
213.64973	0.6
217.12308	1.0
221.11833	0.7
223.09920	0.7
223.13588	1.1
225.11339	33.7
226.11670	1.9
227.12914	13.4
228.13210	0.9
231.10400	1.6
235.08292	3.6
235.13353	0.9
236.54578	0.7
247.13422	1.3
249.11440	1.6
253.09299	11.4
263.12939	1.4
265.14539	1.6
288.28061	0.7
299.14963	1.2
373.23834	0.8
389.22955	0.7
399.21884	5.4
417.22968	6.8
418.23325	0.8
435.23868	1.1
443.19220	2.9
461.20291	12.4
462.20514	1.9
534.84277	0.7
602.00159	0.7
627.29828	1.1
635.30676	11.0
636.30914	2.3
653.31696	16.6
654.32159	4.1
671.32764	25.9
672.33441	6.0
683.96332	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79684	1.1
55.46846	1.1
57.03442	4.0
59.01381	4.9
61.98825	2.7
69.21526	5.1
69.21951	3.8
71.01383	4.0
84.28018	1.0
85.02953	2.5
87.00891	3.0
88.98849	1.3
89.02451	1.6
93.03493	2.0
96.96014	1.6
98.22585	1.4
101.02477	2.5
109.02998	2.1
113.02486	4.9
118.40704	1.1
119.05015	6.1
121.06617	1.6
123.04530	1.3
125.06031	1.4
133.02966	1.6
134.03697	1.3
135.04552	3.7
136.05316	20.5
137.02443	1.6
143.10715	1.2
145.02934	2.0
148.04060	6.2
148.05128	1.1
149.06088	13.4
150.05650	2.9
150.06779	1.8
160.04028	1.5
161.02553	1.7
161.04826	8.2
162.05676	1.4
162.06915	4.0
163.04018	5.5
163.07643	1.8
168.04324	1.1
173.03575	2.1
175.05124	8.3
176.08395	1.5
187.07759	1.1
190.07454	2.9
190.10030	1.4
191.05650	2.7
191.10806	15.3
208.69691	1.1
233.09331	3.5
244.09938	7.5
273.18591	3.9
288.08578	1.4
289.55090	1.1
305.11340	1.8
315.53293	1.2
317.19818	4.0
445.29858	2.1
463.30859	1.8
468.17764	14.1
469.17801	1.8
472.20602	1.5
491.11893	2.6
491.30182	10.6
508.15366	2.5
508.30038	1.8
509.31247	15.0
510.31689	2.1
534.12128	2.7
538.86316	1.2
605.26099	2.4
635.26868	2.6
665.14246	1.2
671.19507	3.5
671.36566	100.0
672.36926	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	671.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50832	1.0
57.03458	1.3
59.01383	8.3
61.98827	5.0
69.42670	7.4
71.01388	5.5
82.95414	1.7
83.05050	1.3
84.95136	2.1
85.00443	1.6
85.02917	1.5
87.00893	3.2
88.98841	2.6
89.02473	2.0
95.05045	1.3
96.96013	2.6
97.06624	2.5
101.02452	2.6
109.06596	2.5
113.02477	3.4
115.67535	1.3
116.92848	1.5
119.03600	1.2
119.05061	1.6
121.03020	1.3
128.47977	1.0
133.02962	1.3
134.03789	2.7
135.08293	1.5
136.05336	7.6
137.02434	1.4
138.06877	1.7
149.06128	4.4
150.06880	22.9
151.07495	1.3
162.50896	1.0
163.04033	1.8
163.07700	4.8
164.08435	4.0
165.09256	4.6
173.08159	1.2
175.02565	1.8
178.02734	1.7
178.10027	1.5
179.10814	10.7
187.09679	1.1
193.05092	3.5
207.10271	2.4
209.11868	4.0
215.09357	1.2
225.11308	2.9
271.19269	1.9
329.19833	5.8
353.14017	1.7
463.30652	1.6
491.30325	3.2
508.30731	3.3
509.31268	25.2
510.31732	3.9
653.31146	1.5
671.36578	100.0
672.26733	2.0
672.37054	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	671.4018
Annotation	Guineamide D
Peak:m/z	Relative Intensity
57.03448	2.7
57.06118	0.8
59.01382	10.0
61.98835	1.7
65.59957	0.8
66.03800	0.9
69.03455	1.8
69.23804	2.4
69.24215	5.0
71.01382	7.1
73.02934	1.2
81.03477	1.9
83.05027	4.6
83.40524	0.9
85.02955	3.9
87.00865	2.1
87.47670	0.9
87.52275	0.8
88.98809	0.9
89.02467	3.8
95.01406	1.3
95.05052	3.9
97.02964	2.4
98.21751	1.2
99.04514	1.0
101.02468	5.0
109.06590	4.9
111.04566	2.0
113.02499	3.3
113.06145	1.7
119.03496	1.1
120.42029	0.8
121.06696	0.9
123.08156	0.9
125.09754	2.5
135.04507	1.2
135.08192	2.3
149.06084	5.0
150.06876	43.7
151.07323	1.7
151.11307	0.9
154.13419	0.9
161.04630	1.1
161.09711	1.4
163.07637	9.1
163.11282	8.2
164.08450	6.8
165.12875	2.1
169.12460	1.0
171.10295	2.1
176.08403	1.5
178.10016	3.6
179.03564	0.9
179.10783	11.5
181.12340	2.0
189.09290	3.2
197.11931	2.6
197.15477	1.2
199.13335	1.5
207.10269	18.5
208.10683	2.1
209.11842	51.0
210.12144	4.6
225.11333	57.6
226.11673	4.3
227.12891	10.5
235.08177	4.6
235.13483	0.9
253.09229	6.2
329.23224	4.2
342.57901	0.9
399.21799	1.5
417.23080	2.3
430.31088	0.9
443.19611	2.1
448.31931	10.7
449.32245	1.9
461.20221	9.6
463.34253	10.7
464.35226	1.7
490.33359	1.8
491.33798	4.3
498.67798	0.9
508.33664	4.8
509.34869	31.9
510.35040	4.3
618.17145	0.9
635.30750	2.2
653.31708	8.3
654.31970	1.8
671.40466	100.0
672.30237	1.0
672.40759	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	673.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.8
57.03445	3.1
59.01134	0.6
59.01389	7.2
64.25238	0.5
67.01904	0.6
69.03466	3.8
71.01392	6.6
71.05031	3.6
73.02941	1.0
81.03458	1.0
82.50381	0.5
83.01389	1.4
83.05050	1.0
85.02966	1.6
87.00887	1.3
89.02460	2.8
93.03488	0.9
95.05032	3.7
97.02938	0.8
97.06603	6.5
101.02447	4.2
109.06607	1.0
113.02444	2.9
116.92876	1.2
119.03487	0.7
123.08178	8.1
124.08479	0.7
125.09769	2.9
133.02966	0.7
133.06590	2.3
151.00392	1.1
151.07672	6.8
151.11310	1.7
153.12837	1.2
161.02542	1.0
161.04561	1.1
161.09726	1.1
169.08723	19.2
169.10121	1.2
170.09058	0.8
171.10201	0.6
178.99928	0.8
179.10806	3.3
197.11850	69.9
198.12164	4.1
207.10336	0.6
209.11920	4.3
213.07765	1.2
223.09747	1.2
225.11401	1.1
227.12904	0.7
241.10860	4.2
253.09262	2.8
263.79868	0.6
449.16852	1.1
459.18875	0.9
477.19858	3.3
507.31839	0.6
511.21741	2.0
629.28119	3.8
630.28632	0.7
655.26532	1.0
673.27179	100.0
674.27521	18.9
695.24823	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.1
59.01388	12.2
61.98811	1.5
69.03445	1.3
71.01395	4.2
71.29564	0.9
71.43579	0.6
72.99300	0.7
73.02926	0.8
76.28995	0.6
80.02654	1.9
81.03468	3.9
83.01355	0.6
83.05026	4.6
84.02145	2.4
85.02930	2.3
87.00854	1.3
88.98808	1.0
89.02431	1.9
91.38133	0.6
93.03455	1.8
95.05054	1.3
95.08719	0.7
97.02952	6.2
99.04488	0.8
101.02435	2.5
107.05019	1.5
108.59418	0.6
109.06605	58.2
110.03737	1.9
110.06928	1.6
113.02430	2.4
116.92852	1.4
117.02016	0.6
121.06652	3.3
123.04523	1.0
131.99744	0.6
132.72008	0.7
135.04477	0.7
135.08148	4.9
136.05292	1.7
142.02701	2.4
145.10199	1.0
161.02428	1.0
161.04558	1.4
161.09703	3.0
163.11305	26.7
164.11606	1.8
179.10791	1.0
181.12341	8.8
189.09244	1.6
191.05531	0.9
197.11867	1.0
207.10286	95.6
208.10611	6.9
209.11867	6.3
221.86937	0.6
225.11356	100.0
226.11684	5.7
227.12891	1.2
253.09161	1.1
289.82098	0.6
315.18118	2.9
447.22525	2.0
673.29523	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.345
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00617	0.3
59.01386	3.5
61.07301	0.2
61.98818	0.6
66.04266	0.2
69.03462	0.4
71.01384	2.4
72.99328	0.3
73.02937	0.3
78.75912	0.2
79.61980	0.2
80.02681	1.4
81.02995	0.3
81.03435	1.3
83.01382	0.4
83.05035	4.9
84.02182	1.0
85.02960	0.8
87.00887	0.6
89.02457	1.2
93.03480	0.3
95.01393	0.5
95.05039	0.7
96.58624	0.2
97.02946	0.4
97.06572	0.5
99.00853	0.3
101.02458	1.9
109.06635	0.4
112.01651	0.2
113.02487	1.3
119.03497	0.4
122.38943	0.2
123.08161	0.3
125.06118	0.4
125.09723	0.6
127.59791	0.2
133.02953	0.3
135.08194	0.5
143.03557	0.3
161.04526	0.7
163.11328	3.2
164.11703	0.3
165.12895	2.4
171.10291	3.1
179.05603	0.6
185.11810	0.3
191.10826	0.8
197.11960	0.4
199.13318	1.2
207.10298	0.8
209.11858	100.0
210.12195	7.0
211.13467	0.7
221.15437	0.3
225.11333	1.1
227.12936	16.2
228.13249	1.3
235.08252	1.9
247.13506	1.6
253.09354	6.7
254.09554	0.5
265.14502	0.6
305.99915	0.3
310.58783	0.3
375.21835	0.4
401.23218	0.4
415.41602	0.3
419.24103	0.5
442.78372	0.3
445.20792	0.9
463.21808	0.7
511.35556	0.3
523.27045	0.2
539.60541	0.3
593.30347	0.3
611.31012	0.4
637.32422	1.3
655.33173	0.8
673.31799	0.8
673.42615	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	674.9933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05794	0.5
54.16158	0.5
59.01383	60.5
60.01736	0.5
61.98819	1.2
71.29428	0.8
75.61729	0.5
90.97137	0.8
120.81606	0.5
127.20053	0.6
132.98210	1.9
174.99260	29.7
175.99632	0.6
192.95850	2.2
201.02563	3.6
202.02686	1.0
202.98810	0.6
208.93228	0.5
217.00305	100.0
218.00615	3.3
219.04530	0.5
242.51524	0.5
343.45901	0.5
359.01474	10.8
360.01672	0.9
374.99228	69.7
375.99564	3.4
427.08780	0.6
517.00409	1.7
519.64453	0.5
532.98108	13.0
533.98413	1.2
571.12231	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74295	0.3
57.03432	0.4
58.67404	0.3
59.01380	1.9
60.89007	0.3
60.99307	0.6
61.98818	0.4
65.03937	0.3
67.01880	1.1
69.03441	0.3
71.01395	1.7
71.15617	0.2
71.31339	0.3
73.02946	0.4
81.03448	0.7
83.05023	0.6
85.02956	11.2
85.03481	0.7
86.03294	0.6
87.00880	4.7
93.03463	11.0
94.03791	0.3
99.04515	0.5
109.02953	1.0
111.04524	2.1
115.00362	0.3
119.05067	1.6
127.04031	2.7
129.01920	0.4
137.02454	0.5
140.25812	0.3
143.05051	0.8
145.02936	0.6
155.03505	0.8
163.04068	1.6
171.03003	1.0
173.04550	4.4
191.05618	100.0
192.05980	3.8
210.06914	0.3
211.07652	3.0
237.09221	0.5
239.00635	0.3
265.08701	1.2
283.09515	0.3
309.07669	0.3
327.08746	2.9
328.09003	0.3
337.09549	0.4
451.76166	0.3
463.11163	0.4
483.12827	1.1
501.14017	0.8
547.07037	0.3
675.19299	36.7
676.19550	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	675.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33086	1.2
58.02971	7.5
58.87599	1.2
59.01381	2.1
70.02982	6.3
70.19045	1.1
71.01369	1.8
71.29867	1.5
71.30284	2.0
72.00900	3.1
74.02481	32.7
87.00878	1.4
93.03453	1.4
98.02513	7.5
113.02444	1.7
116.03582	8.2
116.05054	13.1
138.02005	2.1
142.06642	3.9
144.28261	1.3
145.02979	1.4
159.09354	3.2
191.05586	2.5
196.31856	1.6
201.10332	2.4
203.08278	35.0
204.08594	3.0
211.07657	1.9
245.09323	100.0
246.09718	8.0
266.57791	1.2
290.10736	1.2
327.08862	1.5
507.76529	1.2
671.26886	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	675.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
63.79286	22.6
74.36880	20.3
82.51381	21.9
133.02928	22.6
146.72247	20.7
164.86191	21.4
180.23380	24.5
182.42012	20.9
195.10301	58.1
197.11934	31.3
204.70642	23.4
207.10252	53.9
222.46567	22.3
225.11438	34.4
441.54828	22.4
621.29193	54.2
639.30249	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45798	0.2
59.01387	1.8
65.35452	0.2
69.37096	2.0
71.01378	1.0
73.02966	0.3
85.02955	1.6
87.00906	0.6
89.02468	0.6
93.03468	1.8
96.95995	0.3
101.02486	0.6
103.08862	0.3
109.02970	0.3
113.02470	0.8
117.03418	0.4
119.05035	100.0
120.05366	4.6
120.06136	0.5
121.02975	0.4
122.49800	0.3
130.27281	0.3
130.94145	0.3
135.04535	0.3
136.93690	0.3
145.02979	0.5
163.04019	99.3
164.04350	5.0
172.98244	0.4
173.04543	0.5
185.02205	1.4
186.02559	0.4
191.05612	9.5
192.05989	0.5
201.07674	0.8
257.84601	0.3
307.13953	0.5
325.09293	11.3
326.09503	0.9
327.08704	0.5
337.15073	2.0
349.14911	0.6
501.14233	0.6
649.46442	0.3
675.19525	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	675.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.8
57.03447	1.7
58.00599	2.5
59.01384	50.6
60.01723	0.8
67.01894	0.4
68.99829	0.5
69.03455	2.8
70.73352	0.2
70.75369	0.2
71.01387	46.3
72.01729	0.8
72.99317	3.5
73.02950	7.5
75.00896	1.1
79.01869	0.2
81.03460	2.3
83.01395	5.3
83.05005	0.5
83.49203	0.2
84.01717	0.3
85.02957	10.1
86.00117	0.6
86.44365	0.2
87.00884	11.8
87.04531	0.3
89.02452	37.8
90.02798	0.9
91.04014	1.0
93.03483	0.8
95.01402	3.6
95.05020	0.3
97.02956	8.4
98.03315	0.3
99.00893	2.6
99.04538	0.8
101.02450	37.6
102.02780	0.7
102.43726	0.2
103.00407	0.3
103.04070	0.3
109.02945	0.7
111.00889	0.5
111.04525	1.4
113.02463	17.2
114.02773	0.5
115.03989	1.0
119.03513	12.1
120.86377	0.2
121.02972	0.9
122.77718	0.2
123.00908	0.3
123.04559	0.4
124.01688	0.7
125.02460	15.6
126.02826	0.4
127.03996	0.6
127.07667	0.5
129.02003	0.3
131.03491	1.5
133.05075	1.3
135.04556	0.3
137.02441	0.5
139.04024	1.0
141.01920	0.9
141.05602	0.2
143.03516	7.1
144.03824	0.2
149.04585	1.4
161.04575	7.5
167.03477	1.0
169.05045	0.4
171.03050	0.3
179.05623	7.0
180.05995	0.4
185.04579	0.8
199.06140	0.6
203.05621	0.3
205.19687	0.2
210.40871	0.2
217.07176	1.5
219.05101	0.6
221.06673	2.8
233.22740	0.3
235.08235	16.2
236.08583	0.9
245.06668	1.0
253.09315	4.6
259.20572	0.5
263.07703	1.6
275.20029	0.4
277.09662	1.2
277.21735	100.0
278.22073	11.1
278.25183	0.5
287.07791	3.7
288.08145	0.4
291.23215	0.3
305.08801	3.9
306.08984	0.3
323.09891	2.2
361.11575	1.0
379.12427	1.0
397.13513	80.0
398.13855	7.7
415.14578	36.4
416.14935	2.6
591.91650	0.2
675.35767	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.36
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70692	0.2
55.01886	1.2
56.99826	0.3
57.03447	1.2
58.00595	2.2
59.01382	44.9
60.01715	0.5
60.42173	0.2
61.98845	0.7
67.01910	0.4
68.99846	0.4
69.03458	2.4
71.01385	43.7
71.30796	0.4
72.01723	0.5
72.99314	4.5
73.02951	7.1
75.00872	1.0
78.95896	0.4
81.03466	1.9
83.01390	4.8
83.05033	0.6
85.02956	9.8
87.00883	10.7
89.02449	34.4
90.02768	0.5
91.04022	0.9
93.03491	0.5
95.01394	2.9
95.05010	0.3
97.02959	7.5
99.00881	2.7
99.04506	0.3
101.02448	35.6
102.02804	0.6
102.93388	0.3
103.04008	0.4
109.02950	0.8
111.00909	1.0
111.04524	1.2
112.01669	0.5
113.02456	17.0
114.02782	0.4
114.92513	0.3
115.04030	1.1
119.03508	11.2
123.04568	0.5
124.01641	0.3
125.02457	14.2
126.02802	0.4
127.03998	0.4
127.07685	0.3
129.02058	0.4
131.03528	2.0
133.05081	1.0
137.02448	0.4
137.43820	0.3
139.04019	0.9
141.01990	0.7
143.03508	7.3
149.02556	0.3
149.04565	1.6
152.99631	0.3
157.05109	0.5
159.28824	0.3
161.04572	8.8
162.04915	0.4
167.03510	0.9
169.05089	0.5
171.02985	0.4
179.05618	7.2
185.04602	0.4
199.06187	0.5
201.38432	0.2
203.05670	0.3
217.07124	1.6
219.05009	0.5
221.06610	2.5
233.22688	0.3
235.08232	16.1
236.08591	0.7
245.06693	1.3
253.09306	4.4
259.08371	0.4
259.20517	0.4
263.07672	1.8
275.20081	0.4
277.09436	1.6
277.21729	100.0
278.22076	10.0
278.25174	0.4
287.07739	3.5
291.23230	0.5
305.08804	4.8
306.09082	0.3
323.09860	1.7
361.11438	0.5
379.12436	1.2
397.13510	80.5
398.13831	7.4
415.14566	35.2
416.14917	3.1
419.90488	0.3
590.40564	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49156	0.4
59.01372	0.7
61.98836	100.0
62.44434	0.4
68.66360	0.4
71.01400	0.5
71.29329	0.7
88.44725	0.4
113.02470	0.8
121.57357	0.4
137.75047	0.4
156.07610	0.4
207.10455	0.7
215.07153	1.2
295.31821	0.5
536.18878	0.6
618.08728	0.4
659.31268	0.5
685.27753	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	45.3
69.18292	10.6
71.01373	2.0
72.99318	4.6
79.76617	1.1
85.02940	3.3
89.56898	1.1
108.51208	1.2
110.02507	2.2
113.02462	1.5
113.52338	1.1
119.05058	9.5
127.61147	1.1
134.91623	1.4
137.13657	1.4
145.02925	1.4
147.04544	100.0
148.04872	6.8
163.04016	3.9
165.05589	85.8
166.05894	3.0
171.24742	1.5
207.06657	54.1
208.07024	2.6
211.07637	1.5
346.44815	1.3
425.14636	2.0
430.16309	1.4
436.49567	1.3
677.18781	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	677.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	11.3
61.98814	3.8
62.95376	1.2
69.03439	1.5
71.01382	12.6
71.30589	2.0
72.99298	2.9
73.02908	2.1
77.03949	2.4
80.05074	3.5
82.02978	1.6
83.05058	1.7
84.04566	10.0
85.02962	8.8
87.00877	2.6
88.98824	1.5
89.02448	5.3
89.03943	2.2
93.03440	1.6
95.01395	2.0
95.05017	2.6
96.04580	12.2
96.95975	1.6
97.06604	5.6
99.00919	2.0
101.02455	5.1
105.03477	10.2
106.04240	1.8
109.02937	1.8
110.02490	100.0
111.00880	2.2
111.02824	3.0
112.04050	2.1
113.02460	10.9
117.03456	2.6
121.02962	3.3
123.04563	2.4
124.04066	2.7
125.02457	1.9
125.41499	1.4
125.45395	1.7
128.03546	9.2
129.01942	1.6
132.02191	4.0
133.02977	56.5
134.03757	97.9
135.04582	28.1
135.08078	1.4
137.02478	8.3
139.04007	3.2
143.03430	1.6
145.02957	2.1
150.03256	2.6
160.01698	4.2
161.02466	39.5
161.04507	2.3
162.03015	2.2
175.04008	3.0
176.04764	1.4
177.01964	14.0
177.05431	1.7
178.02719	17.8
178.04147	1.7
178.04935	1.7
179.03497	15.2
179.05052	1.6
179.05644	1.5
181.09903	2.5
187.07635	3.0
189.05542	1.6
191.03439	3.2
191.05568	1.5
194.02170	1.8
195.07784	22.1
196.06143	1.6
197.11859	2.6
203.03526	7.6
209.11816	10.5
220.03833	6.7
221.04448	2.0
227.12947	4.3
231.10278	28.5
232.10675	1.8
239.06779	13.9
240.05161	9.5
240.07196	1.7
248.24883	1.5
248.94655	1.4
257.08167	5.4
275.09259	32.1
276.09564	4.3
307.11908	10.7
311.12839	2.1
317.10327	2.3
341.08734	1.6
353.13803	2.7
367.11819	1.8
387.13965	7.6
429.14740	1.6
446.14722	23.6
447.14896	3.3
478.13559	4.0
503.16068	1.6
504.17523	29.2
505.17795	2.9
530.15057	1.7
547.15973	9.4
548.16522	25.4
549.16791	5.1
580.15698	3.4
581.14703	1.6
627.21588	3.1
645.22992	99.2
646.23303	20.4
659.28906	3.8
677.22498	4.6
678.20984	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	677.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84266	7.8
59.01386	37.0
61.98838	100.0
63.71698	7.9
71.01381	18.1
72.14850	8.5
75.04104	7.3
83.05071	8.6
85.02977	25.8
87.00883	11.7
93.03465	7.6
97.02972	13.7
98.22552	19.3
101.02436	17.0
103.28358	8.7
108.45763	7.7
109.06617	32.4
111.00858	9.1
113.02473	25.7
121.06575	12.1
123.04546	9.8
129.01949	18.3
133.06653	10.1
135.08209	26.0
150.49779	9.2
161.04649	10.6
163.11302	18.2
171.10214	9.3
179.07161	48.3
186.06845	9.9
187.07614	15.0
191.05730	11.0
197.08182	13.8
200.04680	11.6
201.05402	9.3
207.10278	88.8
209.11862	13.4
214.06262	11.5
215.07147	32.0
225.11327	62.3
229.08757	12.2
230.05489	8.8
253.09377	35.2
255.06741	9.7
257.08133	9.4
293.54489	8.3
369.16922	12.0
387.17685	10.4
405.18982	9.0
461.20377	53.7
485.15015	10.1
548.14874	10.8
579.24731	15.7
597.25494	36.7
605.26160	15.8
623.26984	70.7
624.27838	15.9
641.27911	38.6
677.26312	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	46.5
61.98831	100.0
68.99802	9.9
69.05988	28.8
69.06411	72.0
71.01373	33.2
72.99256	7.7
76.44949	7.7
80.31216	8.6
81.03465	12.0
83.05021	15.0
85.02946	36.0
86.14639	8.0
87.00880	17.0
88.98801	24.6
89.02439	17.9
95.05017	11.0
99.00883	12.1
101.02468	21.0
109.06597	30.3
110.02451	8.3
113.02467	23.2
123.04522	9.7
135.08214	22.5
143.69794	10.7
159.04478	12.5
161.02385	15.1
163.11340	13.8
173.04539	9.2
173.05972	11.7
179.07144	31.8
187.07693	12.6
191.05560	45.8
197.08195	19.7
200.66570	10.3
201.05632	9.0
207.10269	89.6
209.11711	14.2
214.06477	22.7
215.07138	41.4
225.11267	47.6
229.08716	20.7
253.09166	24.9
308.44376	8.7
356.55988	9.9
385.90588	9.3
461.20126	33.5
468.83667	10.1
537.19598	21.8
579.24213	16.3
597.15491	9.4
597.25562	37.3
598.26624	11.4
605.26331	11.0
623.27130	56.6
624.27563	13.7
641.28058	55.6
645.21246	18.2
660.71222	9.8
677.26123	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59391	12.8
59.01377	24.2
59.01947	16.4
61.98836	50.6
63.62933	12.4
71.00343	21.9
82.39549	15.1
84.55739	13.7
109.06593	29.6
133.02930	16.4
197.11841	93.2
207.10298	100.0
223.13370	16.2
225.11368	40.7
253.09404	17.1
428.41409	14.3
445.22070	15.7
461.20135	18.1
471.96512	16.8
531.15302	67.7
532.15564	15.6
617.18921	40.7
623.30536	99.4
624.31519	17.5
641.31952	68.3
650.22650	17.7
677.29834	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	677.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.6
55.80210	0.9
59.01379	7.7
61.98834	4.4
69.66781	2.1
69.67189	3.5
71.01385	7.6
71.05016	2.2
72.99309	0.9
73.02959	2.0
73.25766	1.0
80.05080	1.0
83.01400	1.1
84.04544	1.1
85.02964	4.1
87.00881	1.6
88.98812	1.6
89.02468	3.4
95.05044	2.2
96.04565	1.2
97.02959	2.9
97.06599	6.8
99.00890	48.9
99.23843	1.0
100.01213	1.1
101.02455	4.6
105.03471	1.2
110.02484	25.2
113.02464	4.9
117.07159	1.1
119.03529	0.9
119.05098	1.2
121.02964	1.2
123.04535	1.6
123.08215	1.3
125.09736	5.0
125.66446	0.9
128.03546	3.6
129.01949	1.6
133.02986	11.7
134.03769	10.8
134.76945	1.1
135.04567	6.7
135.08179	3.2
137.02446	2.6
153.09245	8.9
161.02452	20.8
162.03128	2.3
163.11308	4.1
171.10300	2.6
177.01956	3.3
178.02724	6.1
179.03499	4.0
179.07153	1.4
181.12357	10.6
191.05644	2.0
195.07774	3.2
197.08194	7.5
197.09795	1.0
197.11877	2.8
199.13464	4.9
201.86125	1.0
203.03552	1.2
207.10274	19.6
208.10527	1.5
209.11874	1.4
215.07202	1.7
215.09229	10.8
225.11330	38.0
226.11589	2.3
227.12921	2.5
235.08174	1.4
239.06783	2.3
240.05104	3.3
243.12383	30.5
244.12679	1.5
247.90302	1.0
253.09312	1.1
255.13779	1.2
257.08145	1.3
275.09283	2.4
275.87277	1.1
317.15942	1.4
353.13962	2.3
399.98334	1.1
446.14615	14.8
447.14886	2.2
451.18256	3.2
479.21359	9.3
504.17566	6.8
515.25330	2.4
548.16547	14.5
549.16919	2.6
580.15723	2.3
599.63904	1.0
628.44708	1.1
645.22919	21.0
646.23053	4.0
659.29224	5.4
677.30310	100.0
678.30603	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	677.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.4
55.56371	0.8
58.00592	2.7
59.01383	37.9
61.98834	1.1
69.03450	1.7
71.01385	37.5
72.99305	2.4
73.02951	7.5
75.00854	1.5
80.66953	0.7
81.03443	1.4
83.01387	5.3
85.02950	8.8
87.00882	9.9
87.11408	0.7
89.02448	29.7
91.04025	0.7
95.01383	2.2
97.02949	5.8
98.21761	2.4
99.00902	2.2
99.04569	0.8
101.02446	29.3
102.02799	1.0
109.02934	0.9
111.04540	1.1
113.01718	1.3
113.02454	15.9
115.58158	0.7
119.03496	8.2
121.02921	0.7
125.02448	12.6
127.81702	0.6
131.03499	1.1
133.05055	1.0
143.03499	5.1
149.04527	1.2
161.04567	6.5
167.03485	1.1
179.05602	5.8
185.04529	0.8
195.10207	0.9
199.06177	0.9
203.05617	0.8
217.07213	1.1
221.06630	1.8
231.86588	0.7
235.08247	13.5
245.06511	1.1
253.09245	3.2
263.07495	0.9
279.23306	100.0
280.23627	9.1
281.84366	0.7
287.07877	3.3
305.08765	3.6
323.09698	1.6
337.76553	0.7
339.37460	0.8
379.12662	1.0
397.13528	72.6
398.13913	5.5
415.14587	35.4
415.20203	1.5
416.14932	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	677.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11853	0.1
50.35241	0.2
51.73287	0.2
58.02966	0.2
59.01388	0.3
66.21198	0.1
71.01391	0.3
79.59011	0.2
80.05067	0.2
81.03465	7.0
82.03822	0.2
83.05034	19.0
84.05386	0.4
85.02972	0.2
88.98857	0.2
100.07700	0.4
101.02458	0.2
107.06171	0.4
108.04576	0.5
110.02485	0.7
113.64406	0.2
125.07216	1.1
126.05611	0.3
133.02953	0.2
143.08286	0.6
149.86308	0.2
157.13560	0.2
195.07857	0.2
201.39890	0.2
207.15013	1.7
224.17709	3.0
225.16098	11.9
226.16483	0.7
242.18726	1.0
275.09317	0.2
291.20908	0.3
309.21841	0.8
310.22311	0.2
324.26550	0.7
325.55750	0.2
333.22900	1.0
339.27646	0.3
341.29324	1.0
367.11917	0.2
367.27200	1.2
370.87711	0.2
385.28342	0.2
407.34262	0.2
433.31808	1.4
450.34558	1.8
451.32932	6.0
452.33261	0.8
468.35486	0.2
468.84155	0.2
473.20178	0.2
476.32587	0.2
533.41351	0.2
550.43396	0.7
559.39722	0.4
565.44061	0.3
593.44049	0.6
593.60492	0.2
659.48645	1.3
660.48956	0.3
677.49713	100.0
678.50031	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	678.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.9
61.98835	100.0
66.96905	0.4
72.97896	0.3
75.94055	0.3
85.02933	0.5
98.48122	0.4
109.06727	0.4
113.02515	0.7
147.68596	0.4
154.01103	0.4
204.05017	0.4
207.10283	0.6
407.60785	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01437	1.1
59.01376	3.7
61.98833	100.0
63.99215	1.4
69.03528	1.3
70.83465	1.1
71.01356	1.5
85.02949	3.4
95.05027	1.3
98.21819	3.6
113.02464	7.1
133.02948	3.5
160.01724	1.6
177.02017	2.1
197.11859	7.4
201.09128	1.5
209.10455	1.0
209.11905	11.5
227.12790	2.3
229.08551	1.4
229.14494	1.3
279.10812	1.2
329.97485	1.3
378.03650	1.1
385.46286	1.2
470.91653	1.4
679.31378	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	680.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	31.9
61.98815	67.3
69.76805	100.0
79.88414	22.4
96.85995	19.7
136.32065	19.5
181.20206	19.8
269.81473	20.2
295.02228	23.7
535.46570	23.0
632.57141	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	680.205
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52272	0.6
52.52989	0.5
54.58477	0.5
55.01882	0.6
57.03429	0.6
58.37077	0.5
59.01387	8.9
66.29493	0.6
69.60265	1.5
69.60683	2.1
71.01387	9.1
73.02956	2.2
73.28684	0.6
77.37566	0.5
83.01407	1.8
85.02953	4.8
86.00065	0.8
87.00887	2.0
89.02464	5.4
95.01402	1.4
98.22521	0.7
99.00911	1.2
101.02454	7.0
104.05091	1.3
106.06636	97.0
107.06969	3.7
108.08192	2.0
113.02463	8.1
118.06652	1.7
119.03510	2.2
122.06210	0.5
130.06644	1.0
131.03516	2.9
132.04575	1.0
135.04552	1.5
136.01642	1.8
146.06172	0.7
146.87425	0.6
148.01720	1.0
148.07678	0.8
150.05620	75.0
151.03990	2.4
151.05986	2.9
161.04630	4.3
162.05724	0.7
164.07176	10.7
165.05562	0.6
174.05554	0.9
176.01161	8.6
179.03502	0.7
179.05650	1.7
190.62172	0.5
191.03532	8.8
191.05185	1.1
192.06670	8.2
194.02867	1.1
194.04599	14.1
220.99503	0.6
221.06708	3.8
236.05632	3.6
241.41249	0.6
252.08748	1.2
296.07809	2.6
338.08865	2.5
354.11856	5.0
355.08084	0.8
356.09918	9.8
357.09668	1.2
357.13977	2.9
398.10977	10.2
399.11099	1.1
440.11856	1.9
475.12509	0.8
500.14206	7.0
501.14462	0.8
518.15179	100.0
519.08521	0.9
519.15552	12.8
540.10388	0.7
560.16089	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	680.4746
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77555	2.0
70.37946	2.2
71.28699	3.3
82.39233	2.1
83.01408	6.4
96.09995	2.5
97.02942	3.0
109.06590	2.6
123.08183	6.8
142.73253	2.3
203.14442	3.7
207.10313	8.7
247.13492	9.2
255.23318	100.0
256.23752	5.9
260.73608	2.6
265.14499	5.0
321.17114	4.2
339.18317	2.7
340.28107	2.4
351.44226	2.5
522.52972	2.7
577.41083	7.9
603.39594	4.6
621.39069	6.7
621.46881	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	681.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01349	1.8
61.98821	6.2
67.28983	1.7
71.57917	1.9
120.50430	1.8
122.06160	8.6
141.20695	1.7
197.11815	4.4
205.43881	1.8
312.11392	2.7
328.14670	2.0
461.16641	2.5
462.17032	3.4
489.15845	4.7
490.16620	5.1
503.17319	3.8
505.18924	2.5
549.17773	2.2
562.18726	3.2
589.46179	2.7
591.22565	21.8
592.22888	5.7
623.24799	2.4
649.23236	7.1
650.23816	55.1
651.24390	18.6
681.25702	100.0
682.25885	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	681.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54990	1.1
51.06836	1.4
59.44775	1.2
61.98833	2.8
69.28096	2.3
69.28503	6.9
83.53601	1.1
98.22409	2.7
134.06181	2.0
138.40157	1.2
152.89215	1.1
185.11823	2.1
209.07243	3.4
209.10849	2.4
210.07954	1.9
211.08844	11.3
223.08904	2.3
235.08862	1.9
237.06700	9.8
237.10233	6.0
238.07452	1.5
239.08313	1.5
239.11897	1.7
251.08293	2.0
265.09805	2.1
269.09460	3.1
291.19803	1.6
459.14709	2.7
461.16315	4.0
475.17871	9.7
489.15591	3.4
503.17258	19.4
504.17715	4.1
519.16998	2.7
520.17310	2.3
535.19769	2.0
547.16193	11.2
548.16669	4.8
561.18097	1.5
563.19318	5.3
621.23450	3.3
622.24036	1.8
649.23083	93.3
650.23639	37.2
651.24457	3.4
681.25745	100.0
682.26111	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	681.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92126	2.1
59.64990	2.1
61.98835	4.0
66.79671	2.1
70.58384	7.1
84.03286	2.2
86.42159	2.3
87.04398	2.2
106.06628	3.8
120.04578	3.9
133.09937	2.3
134.06209	2.4
157.68045	2.1
171.10309	4.4
179.84755	2.6
204.27986	2.2
211.08798	8.1
237.06725	6.8
237.10301	3.9
260.20349	2.4
291.19678	2.9
459.14835	3.3
461.16339	2.9
475.17651	7.6
489.16016	4.7
503.17462	10.0
505.19077	2.4
547.16040	5.2
548.16675	3.6
563.19379	3.2
621.22961	2.5
649.23083	76.3
650.23633	42.8
651.24207	9.8
681.25708	100.0
682.25854	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	681.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72031	1.0
54.76459	1.0
55.16805	1.1
55.81945	1.0
58.73364	1.0
61.98830	1.3
62.45098	0.9
74.01367	1.1
78.95905	1.4
120.04576	3.1
120.97569	1.0
152.99651	1.3
166.24020	1.1
290.05685	1.2
429.17337	1.4
433.16595	1.9
448.19031	2.5
459.14395	1.2
461.16437	3.9
472.19022	3.0
474.16595	2.4
475.17569	4.1
486.20819	1.4
489.15341	8.3
490.20081	3.6
491.20761	1.8
499.17615	3.5
500.18466	1.7
503.17282	3.9
504.17929	3.8
515.21124	10.0
516.21631	1.9
517.18982	2.5
519.20227	2.1
531.20459	9.3
532.20746	2.4
545.22321	1.9
548.17224	3.5
561.21436	2.0
563.19446	6.1
573.21533	12.8
574.21967	3.0
575.22473	2.4
576.23322	1.5
590.21796	2.2
591.22479	2.9
605.23785	4.0
649.23071	100.0
650.23492	21.4
681.25659	53.4
681.37494	2.4
682.26184	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	681.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	43.8
61.98851	33.7
68.99561	26.4
69.03436	8.6
71.01384	41.6
71.30671	10.1
83.01434	8.7
83.69324	6.9
85.02946	38.0
87.00904	14.5
89.02456	13.0
96.95988	9.9
99.00943	8.1
101.02455	21.3
105.03501	11.2
109.02982	6.4
111.00856	9.8
112.98593	23.4
113.02472	30.3
129.01926	45.7
132.02231	17.9
133.02971	80.4
134.03754	11.5
135.04523	22.9
136.01711	11.0
137.02457	26.1
145.02940	9.2
146.03725	8.3
160.01637	19.8
161.02446	28.8
173.02477	9.9
174.03188	15.7
175.04082	10.5
176.04707	11.1
177.01968	26.6
179.03510	18.6
187.04018	13.1
189.05608	9.3
198.03160	13.1
200.04593	7.9
201.09320	9.6
203.07161	13.6
207.10345	9.2
209.11852	18.3
211.03961	10.7
214.06335	13.4
215.07024	14.0
220.03807	9.6
224.04744	26.1
225.05536	29.5
226.09949	10.5
227.03535	10.4
232.07448	15.0
233.08224	11.9
237.05707	7.9
241.09816	19.8
252.07928	11.4
253.08688	100.0
254.09003	14.3
255.14037	12.4
267.10266	10.7
268.11029	43.0
281.12253	7.6
283.13489	12.1
283.62982	7.0
292.90015	7.1
295.09787	15.4
296.10550	13.7
299.13165	7.3
299.16458	29.4
301.11826	14.2
325.14401	20.0
327.15912	18.2
329.13977	26.2
340.07761	9.8
343.15610	49.7
345.17178	13.3
353.13950	18.1
362.19006	13.6
371.14984	86.7
372.15689	12.5
387.45712	7.2
389.16318	11.0
413.16135	19.5
431.16776	10.3
438.11481	19.1
438.20407	13.0
473.18265	11.5
491.19440	15.5
505.21106	14.5
533.20483	68.4
534.20563	15.9
551.21295	43.3
552.20392	12.4
603.24438	26.4
631.24011	72.3
632.23914	14.6
649.24689	56.4
651.26666	12.4
663.26178	23.4
681.27649	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	681.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.4
59.01382	26.1
61.98839	32.0
69.03448	3.8
70.84711	3.2
71.01384	21.7
71.32292	4.0
71.32643	4.0
81.03469	3.8
83.01382	3.6
83.05042	9.8
85.02953	17.7
87.00888	5.6
88.98841	3.6
89.02438	11.7
93.03443	3.5
96.96033	11.0
97.02950	4.9
97.06601	3.6
97.89096	3.0
101.02460	11.3
109.06614	3.6
110.02553	3.9
111.00866	4.0
113.02468	16.3
113.28115	3.8
129.01953	18.1
130.07027	3.5
133.02979	8.3
134.03732	4.6
135.04485	6.0
136.01624	4.3
137.02470	4.9
145.03014	7.9
159.92407	3.4
161.02492	5.7
163.03990	5.9
175.04059	3.4
177.01952	4.4
179.03438	4.1
181.08720	43.9
186.06844	3.6
187.04036	4.8
191.05602	6.8
199.09756	8.4
203.07076	3.6
205.05064	3.3
205.12288	3.6
209.11833	100.0
210.12157	7.2
215.06985	4.0
225.05624	6.3
227.03520	5.7
227.12975	23.0
253.08981	20.2
268.10870	3.6
283.13419	11.5
299.16687	3.7
325.14587	3.6
327.25858	3.2
329.13977	7.7
345.16998	5.7
353.13895	6.0
371.15076	11.7
387.14252	3.7
389.16153	5.5
445.20740	5.2
455.42822	3.7
491.19040	4.8
526.61005	3.2
533.20483	7.7
551.21552	9.8
631.23450	7.1
637.31677	5.9
649.24603	8.3
663.24878	6.1
681.26978	20.5
681.38715	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68361	1.0
59.01369	3.8
60.99031	1.3
60.99313	20.8
62.29023	1.1
66.09478	1.0
69.16920	1.0
69.25043	1.8
69.25385	9.0
71.01378	2.9
88.98814	100.0
89.02486	1.2
93.03484	1.5
94.11520	1.0
96.96037	2.3
98.21796	2.1
100.91383	1.1
101.02430	1.5
109.06589	3.4
113.02430	3.3
114.29493	1.1
119.03518	1.6
145.02956	1.4
163.00391	1.2
163.11316	1.4
187.03944	1.3
207.10281	6.0
225.11319	3.0
227.03473	10.3
229.05066	3.8
255.02989	19.6
256.03601	3.1
257.04599	2.4
284.03271	32.3
285.04062	37.6
286.04364	3.8
312.59482	1.1
397.13467	3.2
406.15390	1.9
415.14752	2.4
436.19321	1.1
474.73593	1.1
593.15179	62.6
594.15466	10.2
610.03766	1.4
617.22522	1.2
623.25476	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	683.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
69.41516	1.6
69.41940	1.2
71.01378	1.3
73.02954	0.4
89.02468	0.8
93.03454	0.7
99.00882	1.7
101.02441	1.0
106.04243	0.5
109.02956	0.5
113.02432	0.8
119.04994	0.5
121.02953	2.3
122.03798	0.5
133.02950	1.5
134.03752	59.0
135.04056	2.4
136.01685	0.9
137.02454	10.8
138.02739	0.4
139.04016	3.4
147.04532	1.1
149.02451	1.5
149.06093	19.0
150.03238	6.6
150.06424	1.1
151.03975	1.0
153.05618	0.5
161.04504	0.6
163.04056	0.4
165.02135	0.3
165.05577	6.5
174.85344	0.3
178.02721	40.0
179.03069	1.9
193.05064	100.0
194.05400	5.7
195.06616	2.0
250.06029	0.4
255.06500	0.4
270.09030	1.0
285.11301	1.8
293.08673	0.3
329.13950	0.6
341.10287	0.7
343.39157	0.3
425.10977	0.4
434.52588	0.4
489.16135	11.1
490.16571	2.0
501.11627	0.4
579.21045	1.1
683.21912	22.2
684.22223	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	683.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22901	1.1
59.01365	1.7
59.90727	0.9
71.01385	2.7
73.02935	2.1
77.11311	0.8
89.02476	1.6
93.03450	1.3
99.00876	2.8
101.02482	1.8
105.03486	1.2
106.04278	1.0
108.52956	0.9
113.02464	1.5
119.05039	1.4
120.65753	0.9
121.02963	4.3
122.03762	2.3
123.04533	2.6
132.02196	1.4
133.02975	5.4
134.03754	92.9
135.04054	4.8
136.01653	4.3
137.02464	15.3
139.04088	5.2
147.04556	1.8
149.02455	6.4
149.06091	24.5
150.03246	17.7
151.04021	13.9
153.05617	1.4
160.01674	2.1
165.05598	18.5
175.04076	1.8
178.02733	56.8
179.03120	3.2
181.05101	3.8
192.04288	3.7
193.05070	71.5
194.05424	4.0
195.06593	4.8
207.06619	1.3
212.17474	1.0
235.06221	1.1
238.53835	1.0
267.06540	0.9
282.08990	1.7
297.11279	1.3
341.10364	4.2
367.10580	1.0
389.12537	8.0
390.12909	1.9
391.57425	1.1
400.58463	1.0
489.15991	4.6
683.21930	100.0
684.22357	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	683.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.4
59.99466	1.4
70.81364	1.3
71.01371	2.9
73.46004	1.5
80.05257	1.3
89.02440	1.7
93.03513	1.8
99.00879	4.7
102.17939	1.4
113.02460	2.7
119.05024	3.3
121.02953	4.6
122.03749	1.6
123.04542	4.9
133.02948	4.8
134.03755	93.5
135.04173	3.2
136.01665	4.4
137.02451	12.4
139.04018	3.0
147.04546	2.9
149.02455	6.0
149.06087	23.7
150.03241	19.4
151.04010	16.3
162.03220	1.6
164.07121	2.7
165.05582	20.1
178.02725	43.9
179.03064	3.2
179.78322	1.4
181.05016	3.2
192.04216	3.1
193.05067	59.2
194.05441	2.8
195.06598	5.4
204.99107	1.7
206.08148	2.5
285.11282	3.2
341.10477	1.9
389.12454	4.8
489.16150	3.9
657.61542	1.4
683.21924	100.0
684.22186	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	683.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82992	3.5
59.93996	3.8
61.98840	6.3
64.27236	3.6
69.00129	21.4
69.00558	23.3
77.16189	3.4
83.41736	3.6
90.66324	4.0
100.76530	3.9
106.06632	14.1
171.10324	19.3
249.87038	4.1
293.21045	9.7
344.14188	4.7
349.08646	4.3
504.17578	5.5
505.18665	12.7
506.19421	4.2
531.30768	4.3
547.94971	4.7
577.20978	6.3
591.22430	8.3
592.23163	8.0
593.23999	9.2
624.22607	5.2
651.24457	99.4
652.25238	41.8
653.26178	10.1
683.27136	100.0
684.27954	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	683.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71202	4.8
57.86166	5.1
59.01404	4.9
59.38188	4.6
61.98828	10.7
70.12763	19.5
78.95936	7.1
106.06637	16.2
165.56892	5.5
196.64066	4.5
242.64264	5.1
249.54395	4.4
324.32043	4.8
344.14172	8.1
400.82507	4.6
505.18890	17.0
573.20709	6.4
591.22510	6.9
593.23926	13.2
627.45441	5.7
630.67462	5.5
651.24561	94.1
652.24976	38.2
653.26263	11.4
683.27094	100.0
684.27094	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	683.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	58.6
60.99306	6.4
61.98832	20.3
62.16626	4.6
68.96384	4.2
70.48434	12.1
71.01381	33.3
73.02966	7.8
74.70200	4.1
81.03438	6.3
83.01416	5.8
83.05033	7.2
85.02965	17.5
87.00898	10.2
88.98809	23.8
89.02454	26.7
93.03449	5.8
96.96029	59.3
97.02965	13.0
101.02468	22.5
109.06603	43.5
110.02444	5.5
110.71432	5.6
113.02449	28.0
116.92825	5.5
117.03572	4.6
118.79282	4.4
119.03516	11.3
119.04964	8.5
125.02482	7.1
135.08211	7.5
136.07713	5.4
137.02426	9.1
145.02974	8.1
148.03981	4.8
163.04036	9.3
163.11330	21.3
181.12279	9.4
191.05629	10.3
207.10278	100.0
211.07547	4.8
225.11362	63.6
257.81430	4.5
314.73837	4.7
397.13602	53.0
415.14362	40.8
593.15332	6.5
605.24860	7.3
623.25677	88.6
623.35052	9.8
624.25909	13.1
665.23138	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	683.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	30.1
60.61883	13.7
61.98840	30.5
71.01392	30.8
71.28781	19.1
80.60982	14.6
89.02419	19.2
90.02271	17.3
101.02428	18.4
109.57018	16.3
113.02478	21.6
126.12502	16.7
127.06664	13.9
206.00157	16.8
249.18573	53.5
327.66293	15.1
397.13568	100.0
415.14655	36.4
435.92606	15.0
648.12109	36.9
683.30585	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54848	2.8
57.03437	6.3
59.01374	8.4
60.74061	3.1
61.98836	8.0
64.35942	2.7
66.92387	2.8
69.73723	15.1
71.01396	8.1
89.02464	5.4
97.06604	12.9
101.02435	6.7
101.69313	2.9
123.08131	7.2
125.09730	100.0
126.10076	3.9
151.88586	2.9
187.08109	4.5
187.09776	74.5
188.10170	4.7
277.21707	17.2
314.94501	3.4
376.62549	3.1
405.17957	5.3
423.18552	21.1
492.14322	3.1
651.79858	3.0
683.40118	95.2
684.40765	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.7
59.01385	2.6
60.95501	2.1
61.98838	22.5
62.88702	2.0
69.03466	3.2
71.01366	3.2
71.29252	2.6
97.06592	12.9
101.02431	4.5
107.44336	2.3
113.02465	2.8
123.08140	7.0
125.09733	83.9
126.10087	4.1
146.82626	2.1
161.04712	2.7
187.09760	34.6
197.07117	2.9
235.08386	3.4
248.63104	2.3
253.09343	3.1
277.21747	37.8
332.11130	2.2
405.17679	8.4
423.18585	7.8
526.38074	2.5
651.24774	30.1
652.24756	10.5
683.27271	19.0
683.39868	100.0
684.28381	4.2
684.40338	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	684.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34118	1.8
59.01390	3.2
59.27536	2.1
61.98840	4.5
74.54743	1.9
88.37839	1.7
89.46699	1.7
90.40447	1.6
116.32145	1.8
124.15920	1.8
228.68147	1.9
307.29312	2.3
307.66333	2.1
409.86523	1.9
438.13266	4.4
481.15298	38.6
482.15512	11.0
495.16943	7.8
539.16534	2.4
540.16901	10.2
541.16376	3.3
555.18964	77.6
556.19196	20.5
572.15619	13.8
573.16125	3.5
586.17090	5.0
587.17566	2.0
641.22455	35.3
642.23083	8.4
684.23145	100.0
685.23254	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	14.6
61.98818	10.7
71.01389	7.2
78.95918	2.5
83.05028	6.1
85.02957	10.0
86.12874	2.4
89.02461	7.2
90.80007	2.2
97.02957	8.0
97.06606	3.3
98.22604	5.4
98.73317	2.1
101.02455	8.3
109.06599	35.2
110.03783	3.0
113.02444	4.0
123.08147	2.7
125.09702	3.1
135.08167	5.0
142.02733	4.0
153.12866	4.2
161.04608	3.5
163.11296	22.2
164.11662	2.8
169.12360	7.8
171.10252	5.3
179.10797	2.7
181.12332	6.1
195.06294	2.5
197.11842	100.0
198.12088	6.4
207.10255	81.5
208.10579	14.6
209.11832	2.8
215.07062	3.8
221.11845	10.0
222.12236	4.8
225.11339	39.5
226.11650	6.5
235.08281	5.0
239.12914	8.4
240.13365	5.5
253.09280	17.5
254.09784	3.5
279.23300	2.9
359.22403	4.1
369.20883	7.1
387.21671	13.7
405.22507	4.1
419.04684	2.7
433.20914	2.8
443.19312	6.6
461.19931	13.1
462.20120	2.8
489.15359	2.5
546.87805	2.4
605.29785	3.6
623.30792	37.7
624.31256	4.9
641.31860	37.0
642.31989	7.1
666.31927	3.2
684.33069	10.6
685.31665	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	685.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11214	1.3
59.01381	17.0
69.39445	3.6
69.39855	5.8
69.91537	1.2
71.01391	22.1
73.02948	3.2
77.58781	1.2
83.01376	3.3
85.02961	9.8
87.00887	3.8
89.02468	10.1
93.03484	1.7
95.01357	1.9
96.04597	3.3
96.96034	3.8
99.00885	2.1
101.02460	14.0
113.02476	16.4
117.03464	3.1
118.59151	1.4
119.03512	5.4
119.05070	4.3
121.02984	2.9
122.06146	3.6
131.03510	4.0
132.04562	12.2
133.05367	6.4
134.03755	3.5
134.06152	1.9
135.04562	1.8
137.02548	1.8
145.02997	12.8
161.02490	3.1
161.04588	5.4
161.05945	1.8
163.04030	3.3
165.04378	7.5
165.05589	2.2
171.06892	3.0
176.03539	2.1
177.04300	3.0
178.05173	2.0
179.03044	2.5
179.05719	1.7
180.05827	1.5
181.06567	1.7
186.09256	66.2
187.08871	6.5
191.05618	1.5
193.05115	5.4
197.06107	4.7
199.07613	3.7
202.08643	1.6
209.03352	7.3
212.07462	1.7
212.10851	8.0
213.06757	2.5
213.10345	2.2
214.07571	1.7
221.06738	4.5
227.08324	5.7
229.09834	86.8
230.10229	7.6
239.08275	1.7
255.07878	4.3
255.11453	23.1
256.11661	2.0
257.09329	2.5
273.08835	100.0
274.09219	9.9
281.09338	2.0
287.10431	6.0
299.10419	25.8
299.13821	1.8
300.10504	1.6
301.08377	4.3
315.09842	12.7
325.08667	1.7
334.93396	1.6
361.10471	6.7
409.15225	6.3
417.12921	2.3
427.16061	1.9
435.14157	5.0
447.84903	1.7
477.15222	29.5
478.15549	4.6
503.16870	7.5
505.16882	4.9
579.18237	3.1
597.19421	83.6
598.19891	12.2
623.20990	22.8
624.21320	4.9
625.18823	13.2
626.18945	1.8
667.20441	2.1
685.21167	74.7
686.21167	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	685.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37497	0.5
57.03437	1.2
57.58716	0.4
59.01381	9.6
61.74918	0.4
69.03459	4.1
71.01373	5.6
71.05028	2.1
73.02942	0.9
80.02687	0.9
81.03465	1.6
83.05027	2.2
83.51690	0.6
85.02956	1.8
87.00871	1.1
89.02442	2.1
97.02926	3.2
97.06615	1.2
99.00910	1.2
101.02433	4.1
107.05041	0.7
109.03023	0.5
109.06607	16.9
110.03726	0.8
113.02451	2.1
120.72675	0.5
121.06587	1.3
123.08166	1.4
125.09723	3.9
133.06587	0.7
135.08156	2.6
136.05313	0.5
142.02745	1.1
151.11276	2.8
153.12904	1.3
161.04576	1.0
161.09755	5.3
163.11301	7.5
171.10275	0.7
179.05569	0.8
179.10797	7.7
180.11133	0.6
181.12329	2.9
185.11836	1.3
197.11841	60.0
198.12233	3.4
207.10263	25.1
208.10628	1.9
209.11876	1.2
219.10388	0.7
223.09668	1.3
225.11339	12.7
228.77562	0.5
232.80876	0.6
235.08188	0.7
235.13440	0.7
237.11325	0.6
241.10803	4.8
247.54785	0.6
253.09337	3.1
369.20749	0.5
405.22913	0.9
459.18719	0.7
461.20407	1.1
477.19843	3.8
523.25391	0.7
623.31158	0.9
641.31750	1.7
667.29865	2.0
668.30121	0.7
685.30768	100.0
686.31158	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	685.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.1
56.31202	0.7
57.03440	1.3
59.01380	12.6
61.98843	1.7
69.03465	5.9
70.42654	2.1
71.01387	9.2
71.05029	1.6
73.02927	1.4
81.03465	2.5
83.05011	2.8
85.02956	2.9
87.00845	1.1
89.02449	3.8
95.01405	1.0
95.05002	0.9
97.02962	5.6
97.06625	1.9
98.22491	1.0
99.00864	1.7
99.04564	0.9
99.76936	0.9
101.01875	0.9
101.02435	4.6
102.65099	0.9
107.05041	1.5
109.06596	22.0
110.03784	1.2
111.00919	0.9
113.02483	4.2
121.06617	1.7
123.04506	1.2
123.08194	1.6
125.06131	1.1
125.09710	5.0
135.08183	6.1
142.02682	1.5
151.07602	1.0
151.11308	2.9
153.12799	1.2
161.02406	1.0
161.04527	1.5
161.09764	4.9
163.11305	10.6
171.10286	1.2
179.07159	4.0
179.10748	9.7
180.07393	2.2
181.12372	4.3
182.12828	0.9
185.11900	1.3
187.07574	1.0
196.43207	0.9
197.11845	66.0
198.12199	4.0
207.10277	32.5
208.10661	6.2
209.11839	2.2
211.13295	1.0
215.07088	1.6
223.09703	2.5
225.11330	17.3
226.11635	2.8
229.08696	2.3
241.10806	4.8
253.09306	5.0
256.07355	1.2
461.20157	3.0
462.20926	2.2
477.19955	4.5
580.24591	1.2
598.26105	2.9
606.27026	1.3
623.30817	1.0
624.27502	3.6
634.34229	0.9
641.31708	1.3
642.28741	2.6
667.30182	1.8
685.30719	100.0
686.31165	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	685.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17663	1.4
54.83851	1.4
57.03454	31.2
59.01383	7.2
60.34797	1.2
61.98810	1.7
62.25162	1.2
62.62818	1.1
69.03455	3.6
70.49792	1.3
71.01366	4.1
71.31979	2.2
73.02943	2.8
84.02710	1.3
85.02969	7.0
87.00866	3.6
87.04524	9.5
88.37678	1.2
89.02448	4.1
93.03471	1.8
96.96033	1.6
97.99225	1.3
99.04508	2.1
101.02473	3.9
106.06676	1.8
110.02493	1.6
111.04577	1.5
113.02442	3.7
113.06089	3.0
116.92855	6.2
119.05048	3.6
121.03046	1.3
121.06687	1.7
123.04583	2.2
125.02477	1.2
125.06165	1.4
125.21590	1.3
127.07634	2.1
134.06136	11.1
136.05316	10.0
136.07727	2.9
139.07715	1.7
145.02972	3.4
149.06076	10.0
150.06897	1.2
155.07149	1.7
162.06831	2.6
163.04021	1.5
163.07690	1.7
173.08191	70.5
174.08580	3.5
178.05078	8.7
180.06688	1.7
185.08183	3.8
190.10123	1.4
191.05602	2.2
191.10780	22.1
203.09129	6.7
205.08795	2.9
225.05675	1.5
226.06572	1.7
285.04050	2.1
331.19388	2.4
348.19421	3.0
349.20273	4.1
350.20752	1.4
382.11389	3.1
501.48959	1.3
505.27954	2.9
523.29083	3.3
685.34479	100.0
686.34839	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	685.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75851	0.6
57.03444	3.1
59.01375	2.1
61.98830	2.4
69.20570	5.5
71.01383	1.7
83.05074	0.6
85.02956	1.9
87.00887	0.7
89.02460	0.8
96.50381	0.6
97.06582	1.5
98.21735	1.2
99.04513	0.8
101.02480	0.8
109.06571	0.7
113.02478	1.5
113.06091	0.9
116.92847	1.4
118.65279	0.6
119.00189	0.6
124.42450	0.5
125.94254	0.6
135.08179	0.9
144.58435	0.6
145.03021	0.8
149.06085	2.4
150.06871	37.2
151.07333	1.4
157.08713	1.2
162.06891	0.9
163.07652	7.3
164.08417	5.6
171.10213	0.9
173.08165	1.0
176.08427	0.9
177.09256	3.2
178.09984	2.5
179.10779	14.6
179.12207	1.1
179.63571	0.6
183.21561	0.7
183.23318	0.7
197.11900	1.0
207.10292	0.8
225.11430	0.8
299.18616	1.0
303.74643	0.6
341.23267	1.7
343.21228	3.1
348.23163	1.9
350.20889	0.6
362.24582	1.0
363.25632	1.1
365.23285	5.2
374.24576	0.7
392.25635	2.9
393.26617	0.7
400.16290	0.7
401.36887	0.6
407.28104	4.7
419.28125	2.7
459.31268	1.5
462.30042	1.1
476.32141	0.9
477.32391	2.3
478.32532	0.7
505.31693	3.8
506.31714	0.8
519.65472	0.7
522.32227	2.4
523.32788	22.0
524.33447	3.3
667.29535	0.8
685.38135	100.0
686.38470	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	7.4
59.01391	2.8
61.98822	0.5
64.55291	0.5
65.64317	0.6
68.97847	1.0
68.98248	5.6
69.03458	1.7
71.01394	1.2
73.02965	0.6
73.25583	0.5
85.02959	2.1
87.00877	1.8
89.02503	0.5
96.96044	1.2
97.06631	1.2
98.22464	1.1
99.04528	0.9
101.02454	0.9
111.08189	0.6
113.02475	0.9
113.06122	1.4
123.08183	1.6
135.04587	0.6
135.08177	0.7
141.09250	0.7
149.06128	1.9
150.06886	28.3
151.04097	0.5
151.07271	1.3
155.07193	0.8
157.08672	0.7
161.02586	1.2
162.06886	0.9
163.07678	10.6
163.11337	0.7
164.08453	3.8
173.08199	21.8
174.08533	0.8
176.08513	0.9
177.09151	0.8
178.10027	1.4
179.03384	0.7
179.10791	12.4
180.11194	0.7
183.45557	0.6
187.09692	0.8
229.10849	2.4
230.11449	0.6
320.19934	1.2
334.21622	2.8
335.22189	0.6
341.23364	2.3
343.21231	2.9
348.23108	0.8
349.23801	6.9
364.22699	1.8
459.31461	0.7
462.29965	1.1
476.31454	1.9
477.32297	3.4
504.31244	2.8
505.31403	4.0
522.32043	5.7
523.32758	17.3
524.33362	2.6
667.37183	1.6
685.38135	100.0
686.38550	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.9
59.01382	1.9
60.36532	0.4
61.98840	2.3
70.75346	0.7
70.75677	0.5
71.01382	2.0
73.02934	0.6
81.09853	0.3
81.26297	0.3
85.02971	1.6
87.00871	1.3
95.05029	0.5
96.96054	0.5
97.06617	1.5
99.04575	0.4
101.02464	1.1
107.52263	0.4
111.04567	0.8
111.08171	0.7
113.02455	1.1
113.06104	0.6
113.09769	0.4
116.92867	1.5
117.92923	0.4
123.04582	0.4
123.08183	2.1
133.02888	0.4
134.03680	0.4
135.04608	0.4
135.08199	0.8
137.06126	0.5
137.09747	0.6
137.65225	0.3
141.09267	0.5
148.05360	0.4
149.04810	0.5
149.06091	3.0
150.06880	39.9
151.07167	1.9
157.08702	0.7
161.02496	0.5
161.09756	0.7
162.06830	0.8
163.07663	9.6
163.08978	0.7
163.11310	0.5
164.08449	6.8
165.09047	0.5
171.10252	0.7
176.08409	0.6
177.09221	0.8
178.10017	2.0
179.10788	22.3
180.11111	0.8
187.09789	0.6
193.08675	0.5
197.11890	1.6
207.10287	0.6
225.11322	0.6
226.47354	0.4
229.10876	1.0
274.37277	0.3
292.20419	0.6
299.18784	0.5
319.22806	0.4
320.19958	2.6
321.20117	0.6
335.22424	1.2
341.23404	2.0
343.21295	5.1
344.21753	0.4
364.22568	2.4
393.26709	0.4
441.30139	1.2
444.28970	0.6
459.31244	2.0
460.32224	0.4
462.29819	2.1
463.30286	0.4
476.31708	1.0
477.32181	6.3
478.32504	1.1
504.30859	2.1
505.31674	2.5
507.33926	0.4
522.32007	3.2
523.32788	26.0
524.33160	4.6
685.38159	100.0
686.38470	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	686.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.4
60.10373	0.2
61.98832	100.0
62.98539	0.2
63.94476	0.2
69.39153	0.3
69.39563	0.9
71.01392	0.3
74.99102	0.2
85.02965	0.4
87.00907	0.3
89.02449	0.2
93.03485	0.2
96.96023	0.2
98.22639	0.2
101.02463	0.4
102.93980	0.2
109.06634	0.2
113.02445	0.9
116.92903	0.2
117.03493	0.2
119.05055	0.3
133.02946	0.2
135.04594	0.2
136.01680	0.3
145.02992	0.5
148.04086	0.2
148.14200	0.1
151.04047	0.2
157.20815	0.1
159.04507	0.2
161.02557	0.2
161.04886	0.3
163.04054	0.5
184.72408	0.1
187.04147	0.2
191.05533	0.2
201.06158	0.2
207.10370	0.3
211.07724	0.2
288.20807	0.2
357.13568	0.3
397.13889	0.2
417.15216	0.2
446.61301	0.2
626.26630	0.5
651.23364	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16870	0.9
57.03446	1.9
59.01377	7.3
61.98837	39.0
68.99817	3.4
69.03463	1.1
70.88157	1.7
71.01384	13.3
72.99300	1.9
73.02946	2.1
78.95886	0.9
79.08291	0.8
80.02711	1.3
81.03465	1.9
83.01389	1.7
83.05036	6.9
84.02145	1.5
85.02964	2.6
87.00884	2.4
89.02444	4.0
95.05027	0.9
97.02994	1.7
99.00887	1.6
101.02448	5.4
107.05027	1.1
109.02952	1.3
109.06612	2.5
110.03733	1.6
111.00919	1.1
111.04510	8.2
111.08173	1.4
113.02462	4.0
122.02740	0.8
123.04570	1.4
123.08177	1.7
125.09731	4.2
126.48598	0.9
127.11327	1.1
135.08174	2.6
137.09763	1.3
139.11360	1.2
144.82184	0.8
149.09677	1.3
151.11269	2.5
153.09213	1.9
161.04568	1.5
161.09735	4.5
163.11302	4.9
165.12871	1.5
169.12308	1.4
171.10283	46.3
172.10645	2.5
177.09250	2.3
179.10744	7.7
183.10242	1.3
185.11877	3.1
187.09808	2.3
195.10252	1.3
197.11830	6.9
198.12199	1.6
199.09825	2.0
201.11469	1.3
205.08681	12.2
207.10239	4.4
209.11836	100.0
210.12180	8.7
213.11360	5.0
215.95403	0.9
221.11839	1.1
223.09776	28.7
223.13220	1.7
224.10074	1.5
225.11369	6.6
227.12923	17.2
228.13345	1.1
235.08179	3.7
241.10776	2.6
253.09338	10.3
295.55841	1.0
407.19580	1.0
415.21262	2.1
433.21835	1.0
445.20657	1.8
459.18512	5.8
477.20062	1.2
643.29858	1.2
651.30090	5.9
652.30835	1.2
669.31415	9.3
670.31854	1.3
687.20697	1.2
687.32373	19.1
688.33521	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	687.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.1
57.09961	0.9
59.01383	7.9
61.98839	1.1
69.03481	6.5
69.05056	2.0
69.05462	7.3
71.01379	6.6
71.05012	2.5
73.02943	2.1
74.60904	0.7
80.02677	1.1
80.45572	0.8
83.01385	1.1
83.05032	5.0
84.02177	1.1
85.02969	0.9
85.59859	0.9
87.00862	1.2
89.02452	4.1
92.60214	0.8
95.01441	0.8
95.05022	1.0
97.02974	1.2
97.06617	2.1
99.00864	1.9
100.80953	1.0
101.02457	6.0
104.47270	0.8
107.44924	0.9
109.02864	0.7
109.06581	2.5
113.02480	3.3
115.63058	0.8
123.08164	1.6
125.09740	3.5
131.24879	0.9
135.08131	1.4
150.90572	0.9
150.91866	1.0
151.11281	3.5
153.12857	2.7
161.04616	1.7
161.09729	4.1
163.11299	6.7
163.26471	0.9
165.12836	2.6
171.10243	4.7
179.10811	10.7
185.11803	1.4
191.10809	1.3
197.11847	76.1
198.12193	5.6
207.10190	4.4
209.11845	54.9
210.12195	3.4
215.07184	0.9
220.45248	0.8
223.09933	1.5
225.11319	2.8
227.12967	5.1
235.08275	1.4
241.10791	3.8
253.09282	5.0
255.51817	0.8
260.20245	0.9
459.18692	1.1
477.19965	3.3
570.60571	1.1
669.31708	1.9
687.32318	100.0
688.32568	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.3
61.98814	1.5
71.01395	3.4
78.73067	0.9
86.17844	1.0
87.00893	1.3
101.02448	1.4
109.06585	1.3
111.04606	0.9
113.02480	1.4
123.08190	1.1
149.06090	3.3
150.06876	34.0
151.07333	1.9
163.07651	7.4
164.08473	5.7
171.10303	3.2
178.10014	1.6
178.77824	1.0
179.10771	16.6
180.11179	1.2
191.05702	1.2
207.10318	1.5
209.11873	4.9
225.11401	2.7
227.12904	2.1
301.20145	1.1
345.22910	3.9
390.50513	1.0
464.31522	6.3
479.33835	8.5
480.34723	1.5
507.33444	2.8
524.33508	2.6
525.34265	23.7
525.41913	1.7
526.34595	4.7
669.30804	2.0
687.39655	100.0
688.39984	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3967
Annotation	CHEBI:69613
Peak:m/z	Relative Intensity
57.03451	2.4
57.97698	0.5
59.01365	1.5
61.98850	0.8
69.08529	2.4
69.08958	2.3
71.01366	1.0
72.99261	0.4
82.39653	0.4
85.02953	1.9
87.00887	1.2
88.30763	0.5
91.50166	0.4
101.02431	0.7
111.04584	0.5
113.02495	0.9
125.09716	0.5
135.08134	1.0
149.06090	3.6
150.06879	33.3
151.07262	1.3
154.66432	0.5
162.06825	0.7
163.07669	9.9
164.08450	5.6
171.10295	1.3
177.09116	0.7
178.10022	1.4
179.10786	13.6
180.11198	0.7
180.86269	0.5
193.67036	0.5
209.11862	1.3
225.11426	0.7
241.10672	0.6
242.54462	0.6
301.20093	0.6
334.21805	0.6
343.25043	2.7
345.22739	3.8
446.30313	0.8
461.32709	0.7
462.33759	0.7
464.31372	4.1
465.31946	0.7
478.33063	2.2
479.33783	7.6
480.33740	0.7
506.32495	3.9
507.33203	3.7
524.33630	4.8
525.34332	23.7
526.34644	3.2
532.76196	0.6
687.39642	100.0
688.28217	1.1
688.40039	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.4
61.98834	100.0
67.36868	0.2
68.25633	0.2
69.69363	1.1
71.01390	0.7
71.58533	0.2
72.99345	0.3
76.20542	0.2
79.97749	0.2
82.36977	0.2
85.02987	0.4
94.24871	0.2
96.96046	0.3
101.02432	0.3
109.06590	0.3
113.02461	0.4
171.10353	0.7
197.11914	0.5
198.91121	0.2
207.10350	0.3
209.11887	1.3
210.12234	0.3
215.07205	0.3
223.09970	0.2
225.11493	0.3
227.13010	0.3
276.88464	0.2
283.00473	0.2
291.19733	0.3
315.11011	0.2
459.19974	0.2
617.34796	0.3
657.31787	0.3
688.32831	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70355	6.8
59.01384	55.1
60.43272	6.7
61.29622	5.9
65.76786	5.8
69.08720	55.6
69.09128	10.0
71.01394	9.8
72.99319	8.6
75.05779	5.5
83.01394	7.6
85.02982	24.2
97.02983	6.7
101.02419	8.6
111.00887	12.4
113.02460	29.0
117.03500	18.0
119.05054	80.2
127.04033	10.6
129.01955	59.0
133.04205	6.2
145.02980	67.7
146.03334	9.5
147.04533	96.7
161.04605	6.7
161.06114	16.2
163.04021	100.0
164.04469	9.2
165.05589	72.2
166.54080	7.1
175.71678	6.4
177.05635	9.8
187.04012	26.3
205.05070	20.2
207.06674	35.1
250.79297	6.6
265.07156	10.3
325.09402	12.8
437.10843	85.1
438.11380	9.7
564.93048	7.6
631.41376	7.5
656.68225	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	689.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	62.6
66.86714	1.6
69.27251	3.8
69.27670	6.2
71.01372	5.4
73.02967	2.8
81.40841	1.2
85.02956	2.1
85.06592	11.1
86.10007	1.6
98.89050	1.5
101.02444	3.9
108.50162	1.4
113.02474	6.0
113.06130	9.8
121.02992	2.9
131.07150	100.0
132.07559	3.7
133.02943	2.1
138.06851	1.9
145.02989	3.0
152.08456	3.6
153.09230	8.9
161.02455	4.7
163.04109	2.1
173.08189	45.1
179.03490	1.7
205.12366	5.8
223.13463	3.0
247.06587	2.0
341.08994	1.8
367.17545	14.2
427.19730	6.3
453.45911	1.5
500.83478	1.9
569.67419	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	689.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	46.2
61.98833	5.2
69.09499	9.9
71.01387	5.4
73.02936	2.9
74.02483	1.7
82.12850	0.9
85.02965	2.2
85.06602	10.8
85.73577	1.1
89.02441	2.2
91.02475	1.1
93.85598	1.0
93.90039	1.1
101.02482	5.3
113.02451	4.3
113.06100	17.3
117.03478	3.7
119.05047	9.4
121.03021	1.1
131.07162	100.0
132.07503	2.6
145.02986	10.2
161.04587	2.4
163.04030	9.9
173.08206	55.7
174.08504	2.6
203.08260	1.7
209.03944	1.1
245.09206	5.8
251.11371	10.0
263.09360	5.0
399.13031	3.1
425.14554	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	26.6
61.98823	37.7
69.14073	52.1
69.14497	50.5
69.34314	12.5
71.01376	17.9
78.95900	17.3
98.21734	12.6
101.02460	16.3
109.06621	16.7
120.26276	12.4
125.09744	16.8
146.24165	12.8
168.24323	14.9
187.09702	31.4
207.10294	80.2
209.11824	100.0
211.00204	14.1
215.06636	12.4
225.11377	34.7
226.59703	12.6
235.08310	15.1
249.18456	17.7
253.09259	28.1
363.35263	12.2
397.13620	17.5
443.18719	14.7
461.20697	18.2
635.30548	77.3
653.31976	76.4
654.32361	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	689.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	16.1
61.98832	61.4
62.87841	10.0
71.01378	11.7
71.80649	8.9
87.00881	12.8
89.02476	11.2
94.26617	8.4
101.02434	14.4
101.41695	8.8
113.02435	16.2
125.02390	11.7
182.55348	8.5
255.23276	72.2
397.13434	100.0
415.14456	62.3
416.14307	9.4
445.67499	9.8
653.37592	12.6
689.34674	76.0
690.35284	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	689.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.5
66.57106	1.1
67.56139	1.3
78.95912	18.9
90.67556	1.8
96.96972	2.0
97.02955	3.5
98.21812	4.0
109.06596	13.3
109.26243	1.3
117.58923	1.2
148.96950	1.2
152.99594	34.8
163.11299	7.0
163.12537	1.5
171.00706	1.8
181.12311	1.8
207.10297	25.1
225.11339	18.7
253.21721	23.2
254.22017	2.1
255.05391	1.5
285.12808	1.5
361.10776	7.3
408.96115	1.3
435.14252	8.0
453.15350	100.0
454.15610	13.7
649.07507	1.5
655.81049	2.2
689.36658	41.5
690.36908	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	690.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90220	4.5
50.90521	3.2
52.60587	3.7
53.18000	3.7
54.62648	4.3
59.01385	30.5
61.98828	11.1
71.01392	34.0
72.99294	4.7
73.02939	8.3
85.02945	8.0
87.00876	10.8
89.02453	23.8
97.02945	5.1
101.02451	21.1
113.02464	16.1
113.21098	3.7
119.03518	9.0
125.02413	11.9
138.67297	4.0
143.03502	4.3
148.38666	3.2
179.05626	4.1
196.57454	3.7
235.08231	11.9
249.18636	80.7
250.18860	5.2
305.08884	5.8
397.13541	100.0
397.18878	5.6
398.13995	8.4
415.14636	31.8
416.14233	5.1
556.10406	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	691.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17830	0.2
63.27748	0.2
69.72456	1.0
77.00541	0.2
79.15879	0.2
79.95741	3.2
81.27116	0.2
81.63306	0.2
96.96021	100.0
97.95943	0.5
134.93764	0.2
191.05687	0.4
227.03545	0.4
255.02997	0.8
281.13882	0.3
284.03302	1.2
285.04153	1.3
383.01300	0.3
415.11710	0.2
421.77243	0.2
436.71555	0.2
505.96741	0.2
593.15131	2.2
594.15387	0.4
631.09308	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06535	1.0
55.69375	1.1
59.01383	36.0
61.81535	1.1
71.01397	1.7
71.31573	1.8
73.84980	0.8
80.29368	1.0
85.06596	10.3
87.00908	1.4
90.41081	0.9
93.80181	0.9
113.02462	1.3
113.06113	9.8
117.03484	1.3
119.05046	2.2
121.02965	1.8
131.07149	100.0
132.07530	2.2
145.02966	3.2
163.04034	2.3
173.08203	39.0
174.08528	2.8
187.04028	2.4
191.05698	2.2
211.07607	2.4
300.33655	1.0
425.14124	1.3
510.63074	1.0
569.97437	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	37.4
61.98831	100.0
71.01396	36.2
85.02960	14.7
87.00893	20.9
88.50368	6.5
89.02457	14.8
97.02946	7.6
101.02454	21.7
113.02460	16.7
119.03481	11.0
163.11226	8.5
171.10220	7.2
184.31580	6.8
191.05672	20.2
207.10280	24.7
211.13391	67.2
214.06389	11.9
225.11345	16.2
227.07072	8.6
229.08636	17.0
235.17191	8.3
275.20248	19.4
293.21243	38.0
383.21960	8.8
397.13544	31.4
401.23553	23.2
415.14740	25.4
419.24475	11.1
619.31641	11.6
637.32202	72.5
638.32849	10.8
655.33215	33.1
691.32050	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79383	4.3
57.68915	4.6
59.01374	23.3
61.98837	80.3
71.01388	15.4
75.51951	5.1
76.71002	4.7
81.39320	5.5
83.14713	5.0
85.02940	9.5
89.02454	9.6
101.02473	16.4
109.06618	12.0
113.02457	12.4
163.11267	10.1
169.12431	7.6
185.11961	5.4
191.05614	10.0
207.10187	34.4
209.11873	9.1
210.78760	5.5
211.13419	62.6
225.11302	16.2
235.08270	6.7
247.09576	7.9
253.09370	11.6
299.04578	6.0
373.23569	7.0
375.62177	5.5
383.22083	12.1
391.25171	5.9
401.23587	25.5
402.23248	6.5
419.24500	6.7
447.22424	7.6
461.20477	11.8
479.23196	6.3
609.32996	10.0
619.31018	21.4
623.26373	5.6
637.32355	100.0
638.32605	15.7
655.33209	41.9
656.33698	6.2
659.32904	15.2
691.31030	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95728	1.1
55.01868	1.2
55.92127	1.1
55.99166	1.0
57.03433	1.6
59.01380	15.8
59.03514	1.0
61.98833	16.4
69.03462	2.7
69.16365	8.0
71.01391	9.1
71.05025	2.0
72.38550	1.1
72.68100	1.1
73.02947	1.3
75.65877	1.0
81.03490	1.3
83.01397	2.2
83.05028	9.1
85.02961	4.5
87.00870	2.5
88.98817	1.2
89.02437	3.7
94.02969	2.8
96.96072	1.8
97.02972	1.3
97.06612	1.7
101.02451	7.1
109.01707	2.8
109.06600	1.9
110.02493	5.0
111.00890	2.9
112.99983	1.0
113.02444	4.5
117.14638	1.1
119.03483	1.2
121.72151	1.0
123.08151	3.7
124.04089	6.6
125.09737	3.1
128.03522	5.4
131.57693	1.3
133.02960	3.9
134.03737	1.7
135.04543	1.4
135.08173	4.4
136.04044	3.2
137.02452	2.2
145.02907	1.4
151.11238	2.9
153.12830	1.6
161.02480	2.8
161.04611	1.8
161.09744	3.1
163.11322	2.4
169.08670	4.4
177.06709	1.8
178.02737	1.9
179.03429	1.8
179.10733	5.7
181.08725	16.5
191.05562	2.3
197.11844	82.6
198.12180	5.2
199.09801	1.4
199.13353	1.5
201.11322	3.2
202.02641	1.6
209.11852	19.9
210.07608	1.6
210.12137	1.3
220.03773	1.8
221.05832	1.3
223.09695	1.8
227.12869	4.9
231.49763	1.3
241.10713	3.3
253.09241	6.3
254.06691	7.7
275.08878	1.4
340.07925	2.0
341.08649	1.2
369.25595	1.2
377.12234	1.3
477.19916	4.7
572.41809	1.3
659.29211	100.0
660.29834	17.8
691.31982	13.9
692.32489	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	691.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04549	0.6
57.03452	1.0
58.00601	0.7
59.01387	17.9
61.98839	10.5
64.25884	0.6
69.03454	1.2
70.85146	0.9
70.85471	0.9
71.01392	15.1
72.99292	1.4
73.02953	2.3
83.01400	0.9
85.02972	3.4
87.00889	2.4
89.02459	13.0
95.01382	1.3
97.02985	2.3
99.00889	1.5
101.02452	10.4
113.02460	5.4
119.03527	3.6
125.02460	2.9
129.01964	1.2
131.03540	0.9
143.03494	1.8
145.01300	0.7
161.04547	2.9
171.10318	1.5
179.05615	2.5
179.14333	1.0
191.05620	0.8
195.13933	6.3
205.12294	0.8
207.10330	0.9
211.07611	0.8
215.07220	0.6
221.06755	1.1
223.13368	5.3
228.13715	0.8
231.21182	1.0
235.08273	2.9
253.09261	1.7
256.13190	0.7
275.20145	5.1
287.07687	1.2
293.21265	100.0
294.21609	12.7
305.08719	1.1
397.13553	22.4
398.13870	3.2
415.14609	25.3
416.14813	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	693.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	12.0
70.44112	0.9
71.01392	5.5
73.02982	1.5
80.02701	1.3
81.03468	2.6
83.05030	2.9
85.02956	1.8
87.61148	1.0
89.02461	3.1
97.02969	5.4
101.02467	5.1
105.49900	0.9
106.88110	1.0
109.06602	34.0
110.06969	2.1
113.02477	3.4
115.32721	0.8
121.06625	1.6
135.08182	3.9
136.05305	1.9
142.02753	2.3
143.03552	1.4
161.04640	1.3
161.09721	1.5
163.11307	20.2
170.28622	0.9
179.07191	1.6
181.10966	0.9
181.12311	5.4
189.09229	2.1
207.10280	100.0
208.10585	7.0
209.11925	1.7
213.07652	1.0
225.11345	37.8
226.11627	1.8
228.74384	0.9
235.08322	2.2
249.18608	64.2
250.18970	5.0
253.09308	13.0
277.21667	2.0
299.15085	2.0
352.88098	1.1
413.30756	1.5
443.19427	4.7
444.19772	1.1
461.20145	13.5
462.20523	2.6
693.38483	27.9
694.38495	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	694.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	36.5
61.98833	74.5
63.53078	1.7
69.03474	1.5
71.01385	29.7
72.99309	3.8
73.02953	4.5
78.95914	4.3
81.03454	1.7
83.01398	4.3
85.02956	5.5
87.00865	8.8
89.02451	25.7
91.77551	1.6
95.01414	2.3
97.02974	4.3
97.34238	1.4
98.22532	3.4
101.02452	22.3
111.00941	1.8
113.02472	12.3
119.03520	7.9
125.02469	10.3
143.03517	4.2
152.99625	2.7
161.04562	4.4
179.05621	5.0
203.05530	1.7
221.06793	2.7
225.11324	2.5
235.08244	13.1
253.09395	2.1
253.21712	92.0
254.22070	11.2
279.23343	3.8
287.07913	2.6
288.32828	1.7
305.08865	2.9
323.09741	2.0
397.13535	100.0
398.13934	11.5
415.14563	33.4
416.14868	3.2
651.36499	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	694.4403
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03447	3.4
73.04069	2.9
81.07082	1.4
82.06638	3.1
83.02498	1.3
84.00937	3.0
85.06598	33.2
87.05648	22.3
88.04041	4.0
97.04078	10.4
98.02496	1.8
99.02046	1.4
112.07693	2.3
113.03580	2.3
113.06084	2.4
125.05950	3.4
129.10368	23.0
130.08752	44.2
131.07159	59.2
131.09152	2.2
132.07484	2.1
135.05716	2.2
137.68460	1.2
139.08789	7.6
140.07181	4.7
140.10805	4.3
141.10313	2.1
143.11925	13.1
144.12260	1.6
153.10333	2.0
155.08253	8.0
155.11874	2.2
165.10358	8.4
166.08736	3.8
167.12000	2.3
169.09802	7.8
178.11101	3.8
181.07309	1.9
182.12990	12.1
182.15524	3.6
183.11440	11.4
183.13855	1.9
184.09787	13.1
187.10858	4.6
197.16600	3.3
200.14058	5.6
201.12454	17.0
202.10997	2.0
202.12817	1.8
207.15033	24.6
208.13417	4.0
210.12546	3.7
224.17696	11.4
225.16046	3.5
226.14442	4.3
238.19115	1.7
242.18752	21.6
243.17162	4.4
256.20337	7.3
258.14621	7.5
268.16739	3.6
268.20511	1.5
278.18738	2.9
295.21335	11.0
295.24170	1.6
296.19650	11.4
297.18073	1.8
300.19226	2.8
313.22546	8.6
314.20850	25.5
315.19016	7.6
323.20969	2.9
338.24490	4.2
339.20023	2.5
355.85184	1.4
356.25577	100.0
357.26019	10.3
369.28510	2.6
409.28177	1.7
413.27408	1.5
427.29260	42.2
428.29355	6.0
455.28308	1.7
467.28806	17.4
468.28876	3.3
476.68671	1.4
509.33365	2.3
527.34601	36.6
528.34680	6.2
536.38318	1.4
541.36145	9.4
542.36096	2.0
580.36932	6.3
608.36664	1.6
648.43524	1.4
694.44165	10.6
695.43927	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	695.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47039	1.2
58.88755	1.3
59.01388	4.2
74.02463	2.0
85.53477	1.4
89.92567	1.3
92.12480	1.2
93.03448	1.3
98.21809	3.8
101.02502	1.4
107.01413	1.5
110.02486	7.9
113.02503	1.4
123.30049	1.3
128.03539	1.4
134.03752	2.6
135.04504	1.1
145.03038	1.5
147.04472	2.1
151.00444	3.6
163.00395	1.6
165.05515	3.1
178.99821	1.4
181.79636	1.4
185.06039	1.4
187.04004	1.5
195.07857	1.5
207.06743	1.8
211.04085	1.5
227.03529	45.7
228.03798	2.8
229.05075	3.5
245.09372	6.0
255.03018	79.3
256.03513	12.1
257.04361	3.2
283.02621	1.7
284.03290	100.0
285.03979	32.0
286.04584	2.4
429.08380	4.2
506.18216	1.4
551.17859	2.1
609.14703	3.1
651.15735	85.8
652.16235	18.3
695.21924	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	695.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39265	3.5
57.03450	4.4
59.01389	35.6
61.98833	88.1
71.01395	23.4
73.02956	6.9
81.03439	4.1
83.05035	5.2
85.02962	15.6
87.00908	5.1
89.02448	9.9
93.03477	8.0
95.01367	4.7
95.05017	6.0
97.02959	13.1
97.06618	7.0
99.00886	6.5
101.02459	11.7
109.06609	19.7
111.00914	6.9
113.02445	21.6
121.06564	4.8
123.04527	5.0
123.08147	4.3
129.01978	8.5
133.02951	19.3
135.04523	9.3
135.08159	25.9
141.58784	3.6
151.07668	5.6
153.09189	6.1
159.06671	4.3
161.02443	38.1
161.04570	9.0
163.11342	15.4
171.10283	4.0
173.08270	8.6
177.01981	5.3
177.05530	8.4
179.03490	10.6
179.07133	51.1
181.08731	10.1
181.12352	4.1
185.06224	4.6
187.04063	4.2
189.09195	5.6
191.05690	7.2
195.06613	12.5
197.08217	38.6
197.11957	6.6
207.10274	66.5
208.10640	5.8
209.11839	22.9
214.06328	9.0
215.07115	7.0
223.09828	13.1
225.11320	100.0
226.11740	5.4
229.08760	6.3
235.08226	6.8
253.09183	29.7
341.08878	13.8
369.17020	6.6
387.18140	9.3
433.17386	5.0
439.12567	6.1
443.19498	4.9
459.18784	6.4
461.20325	43.8
462.20679	10.1
533.20349	9.3
595.27484	5.7
597.25494	10.6
605.26306	12.6
623.27069	63.4
624.27496	14.8
631.23462	5.6
633.25598	4.3
641.28088	59.4
642.28680	13.2
663.26556	10.1
672.17700	4.5
695.27332	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	695.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95215	0.5
53.41282	0.5
56.18157	0.4
59.01089	0.9
59.01383	13.9
69.45873	3.0
71.01389	9.6
72.99308	1.0
83.01357	0.8
85.02953	2.2
85.06606	7.5
86.65066	0.5
87.00866	1.1
89.02460	10.3
95.01379	0.9
96.96051	0.7
101.02448	7.5
113.02442	4.4
113.06095	1.8
115.07683	1.0
119.03532	4.1
119.04989	0.6
127.07729	1.1
131.07158	34.2
132.07533	1.1
135.04539	2.6
163.04013	0.8
173.08200	1.3
176.32562	0.5
191.05562	1.1
283.72369	0.5
293.12448	100.0
294.12784	6.9
353.08072	1.0
401.04562	1.1
462.03915	0.5
486.10175	0.5
594.28748	0.5
693.66187	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.402
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11139	0.3
56.96118	0.3
58.94758	0.3
59.01388	3.3
61.98817	1.0
69.99803	0.3
71.01379	2.9
76.28850	0.3
80.02689	1.3
81.03463	0.8
83.01379	0.3
83.05038	4.6
84.02166	0.6
85.02943	0.8
87.00883	0.4
89.02455	1.9
95.05045	0.5
101.02460	2.0
109.06586	0.5
113.02463	1.4
119.03522	0.5
125.06160	0.3
135.08174	1.2
147.11829	0.3
158.99915	0.3
161.04564	1.1
163.11330	3.7
165.12843	2.1
179.05670	0.3
191.10828	1.0
192.32648	0.3
199.09798	0.4
209.11852	100.0
210.12196	6.4
227.12918	9.8
228.13065	0.7
228.69020	0.3
235.08145	1.3
249.18629	44.8
250.18912	4.7
251.20277	0.5
253.09311	6.7
255.23224	0.5
277.21735	0.7
277.38928	0.3
397.13510	0.7
445.20822	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.25
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71158	0.3
52.58645	0.3
58.32824	0.3
59.01389	1.2
61.98835	100.0
71.01393	0.8
72.79141	0.3
75.77319	0.3
85.02955	0.7
89.02477	0.5
96.96000	0.3
101.02475	0.8
109.06606	0.6
113.02483	1.2
122.24862	0.3
125.09791	0.3
133.02991	0.7
135.08138	0.4
153.01872	0.3
163.11359	0.4
172.05334	0.4
177.98196	0.3
179.07233	0.7
186.06905	0.4
187.07744	0.4
197.08292	0.3
197.11716	0.4
201.05515	0.4
201.09343	0.5
205.71576	0.3
207.10233	1.5
208.10619	0.4
211.07674	0.3
214.06689	0.3
215.07130	1.8
223.67241	0.3
225.11418	1.2
226.11809	0.6
227.03647	0.5
229.08723	0.8
253.09377	0.6
256.07480	0.4
258.08060	0.4
461.20593	0.5
535.19312	0.4
536.18903	2.4
598.25720	0.5
623.27374	0.7
624.27850	0.7
642.28491	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	17.6
61.98825	16.5
67.40241	3.1
69.03446	4.8
71.01375	14.0
78.95907	6.1
85.02909	4.7
87.60827	3.9
89.02454	4.2
89.80251	3.3
97.02966	8.0
99.00851	4.6
101.02461	5.7
109.06601	36.6
113.02433	5.6
135.08191	6.4
142.02744	3.6
161.04549	4.0
163.11305	19.0
165.12885	5.3
181.12361	14.0
185.11810	7.9
191.10809	9.1
207.10269	100.0
208.10603	4.8
209.11858	70.5
225.11371	56.6
235.08211	7.5
237.15054	4.0
253.09204	14.3
304.68204	3.8
363.19693	5.3
371.22678	4.8
381.20706	12.8
389.23254	5.5
399.21793	22.3
417.22720	14.5
443.19312	7.3
461.20316	22.7
520.82916	4.5
607.31610	5.0
617.29987	4.9
635.30658	49.4
636.31232	9.7
653.31616	49.9
654.32452	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	696.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.0
58.00591	1.9
59.01085	1.8
59.01383	33.3
59.16794	0.8
60.52977	0.7
69.03464	0.8
71.01383	24.8
72.99315	2.2
73.02949	4.4
79.49458	0.8
81.03452	1.1
82.48952	0.7
83.01394	3.4
85.02955	5.5
87.00882	5.8
89.02451	24.5
95.01401	1.9
97.02952	4.4
98.21790	2.9
99.00900	1.6
101.02443	18.7
111.04537	1.0
113.02457	9.1
118.18506	0.8
119.03522	6.2
124.37990	0.9
125.02461	8.0
128.48872	0.8
129.09647	0.8
131.03473	0.8
132.18088	0.9
133.05090	1.0
139.04111	1.0
143.03523	2.8
149.04538	0.9
155.21750	1.0
161.04590	4.2
179.05602	4.7
221.06638	1.9
235.08241	11.1
253.09326	2.0
255.23303	71.6
256.23657	8.2
263.07730	1.6
287.07736	3.6
305.08765	4.3
312.96756	1.0
323.09705	1.9
386.92203	0.8
397.13507	100.0
398.13824	10.8
415.14563	31.8
416.14926	4.3
615.06573	1.0
653.37311	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	696.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.3
57.03457	1.1
58.00593	1.5
59.01385	33.4
61.98835	3.8
62.01741	0.6
67.87553	0.6
68.88776	0.7
69.03446	2.1
69.82890	0.7
71.01385	28.0
72.99303	2.3
73.02949	5.2
78.63153	0.9
78.95919	1.5
81.03447	1.3
83.01408	3.4
85.02963	5.6
87.00892	5.0
89.02451	24.6
93.03501	0.9
95.01380	1.5
97.02955	4.3
99.00886	2.1
101.02447	20.6
111.00849	0.8
111.04507	1.2
113.02465	9.4
119.03511	7.6
119.14648	0.8
121.02954	3.6
125.02478	8.7
134.85516	0.7
139.04092	0.9
143.03500	4.0
145.29663	0.8
152.99567	1.1
155.03638	0.8
161.04602	5.0
167.03583	1.2
179.05624	4.9
185.04530	1.0
209.11853	4.7
210.12173	2.1
217.07210	0.9
221.06664	2.2
228.93770	0.9
233.46646	0.8
235.08244	13.8
249.18547	2.0
250.18939	2.1
253.09241	2.2
255.23314	76.7
256.23642	9.7
277.09521	1.1
287.07745	3.3
305.08707	3.2
323.09784	1.9
352.06497	0.9
397.13525	100.0
398.13858	10.5
415.14587	31.7
416.15128	2.6
474.16742	1.0
487.17996	0.9
547.20129	1.3
633.23810	4.8
634.24500	2.8
635.25201	1.8
653.37451	3.2
654.37604	1.3
665.26239	7.1
697.28149	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	696.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00588	1.9
59.01380	27.9
61.98837	18.0
69.03464	3.0
69.45389	1.8
69.61595	1.6
71.01387	32.7
72.14461	2.3
73.02946	9.3
74.74389	1.6
78.41186	2.0
78.95904	4.2
80.87636	1.8
81.03437	2.4
83.01397	4.8
85.02942	11.1
87.00880	20.4
89.02454	29.4
91.81258	2.1
95.01397	2.4
97.02959	4.8
99.00910	2.4
101.02458	33.2
103.91327	1.7
113.02466	20.9
119.03512	7.2
125.02469	10.3
141.01927	1.7
143.03506	5.9
152.99617	2.1
161.04550	7.4
167.30862	1.8
179.05644	5.4
213.60132	2.5
221.06528	3.0
235.08247	17.2
253.09341	8.2
255.23306	100.0
256.23627	11.4
269.24924	4.1
287.07733	5.1
305.08777	7.2
323.09695	3.0
397.13510	94.0
398.13620	9.0
415.14548	53.0
416.14862	5.4
439.42599	2.2
653.37122	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	697.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	4.6
57.03446	7.1
59.01382	23.6
61.98824	5.3
71.01390	26.7
71.29915	4.4
72.99330	3.3
81.03458	5.4
83.01394	7.7
85.02464	4.9
85.02955	63.2
87.00883	4.3
89.02470	18.1
91.20778	2.2
92.02927	2.3
93.03465	49.4
95.01408	2.6
96.96009	8.6
97.02961	5.7
99.00900	4.0
99.04520	5.6
101.02460	24.5
109.02930	3.9
111.00890	34.8
113.02456	74.3
117.03463	7.5
119.03540	3.3
119.05053	27.7
121.02972	14.1
123.04549	4.1
127.04046	7.0
129.01952	81.0
132.05812	2.5
134.03645	3.2
135.04535	6.2
139.04007	5.7
143.05038	11.4
145.02928	16.4
149.02429	3.4
151.04015	3.4
152.06363	5.1
153.07117	3.8
156.05864	6.1
161.02429	3.1
161.04729	3.6
161.06107	8.3
163.04024	29.5
167.03387	3.3
169.06610	17.0
170.98511	2.8
171.03059	3.3
171.04607	3.2
171.08127	10.0
173.06090	11.3
175.02573	3.5
180.05809	37.2
181.06593	32.5
182.07011	2.4
184.05266	9.2
185.06067	4.6
187.04021	6.4
187.35971	3.0
193.05080	5.2
195.04552	9.1
195.08151	2.8
196.05251	7.6
197.06097	27.8
198.06715	5.1
199.07661	100.0
200.07994	8.9
205.05063	6.9
211.07585	3.3
213.05609	3.5
215.07086	4.7
223.07581	3.3
225.05551	32.3
227.07294	2.5
235.06226	3.6
239.07159	5.4
241.08794	2.7
243.06627	44.9
257.08298	3.2
265.07098	3.3
267.06671	17.9
267.10165	4.2
273.06152	9.5
285.07697	25.2
301.06857	2.7
311.09164	5.8
315.08777	3.7
343.03650	2.8
345.09793	15.2
350.94446	2.6
405.11664	3.2
423.13034	2.6
437.10864	7.8
439.12360	14.7
455.13605	5.8
473.14536	7.3
499.11960	4.0
517.13464	29.5
518.13342	3.1
535.14874	7.5
697.19556	41.2
697.30280	3.9
698.20221	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	697.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.4
61.98833	6.6
65.99839	0.9
71.01381	1.7
78.95904	2.7
88.27125	0.8
89.02441	1.0
98.22572	1.4
106.06638	4.3
110.60115	0.8
113.02481	1.1
120.04559	3.6
122.06145	1.0
125.09682	1.3
134.06123	1.4
152.99596	1.7
171.10281	1.5
191.78227	0.8
197.07193	1.0
225.06721	1.0
235.08626	1.6
239.08284	2.1
251.08389	1.2
252.09085	1.0
253.09828	2.0
253.21773	1.7
263.08102	1.3
265.06387	1.3
265.09940	1.1
267.07770	1.2
314.13135	1.3
328.11011	1.4
330.12573	1.6
338.13007	0.9
342.12595	1.9
358.12033	1.3
387.11761	0.8
397.13474	3.1
416.16266	1.0
424.12900	0.9
444.16052	1.3
446.17206	1.3
452.11398	0.9
459.14053	1.1
463.17776	1.1
473.16016	1.0
475.18289	1.2
477.15814	1.2
490.16635	1.0
491.17157	4.1
518.16754	1.2
519.16553	7.0
520.17462	2.0
559.16437	1.1
561.19128	0.9
563.19122	0.9
577.20868	1.6
579.19232	1.8
587.19330	1.2
591.18939	1.3
592.19250	1.1
605.20557	3.6
606.21143	2.7
607.22076	8.3
608.22247	2.1
633.20074	2.0
637.23004	0.9
665.22534	50.1
666.23120	28.5
667.24084	8.6
697.25116	100.0
698.25500	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	697.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.7
61.98547	1.4
61.98832	9.0
78.38203	1.2
78.95901	7.3
89.02422	1.3
98.21716	2.4
101.02500	1.4
106.06622	2.9
152.99579	3.1
171.10254	2.5
197.07205	4.9
197.11740	1.6
210.08015	1.6
211.08752	4.8
211.12489	1.2
213.11310	1.5
213.38515	1.6
213.59390	1.3
223.08905	2.1
225.06712	3.2
226.07491	4.2
227.08232	4.0
237.06699	2.3
237.10362	3.4
239.08136	3.1
239.11882	4.4
251.08211	2.3
253.06235	2.4
253.09436	1.5
253.21677	2.3
265.06302	2.1
265.09750	2.4
265.17960	1.5
267.07733	1.6
285.09015	1.6
311.10507	1.5
361.10474	1.8
397.13458	2.4
414.26749	1.3
476.14978	2.3
477.15759	1.5
490.16510	1.9
491.17233	3.6
492.17685	1.8
505.15573	2.0
518.15942	4.2
519.16742	9.5
520.17419	4.1
605.20313	4.8
606.21082	2.7
607.22308	2.4
608.22308	1.4
665.22516	79.9
666.23053	32.6
667.23743	5.5
682.73077	1.3
697.25092	100.0
698.25464	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.252
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	1.4
64.84647	0.8
70.61765	2.6
77.50237	0.8
106.06651	3.7
120.04588	4.6
122.06127	1.3
132.04619	1.7
134.06131	1.7
144.04495	0.9
144.22282	1.1
152.99620	1.2
211.08820	1.7
221.32285	0.9
223.08801	2.2
225.10402	1.1
226.07487	1.1
235.08649	1.0
239.08229	2.3
242.58224	0.8
251.08171	1.2
253.06134	1.2
253.09740	1.3
263.08353	0.9
265.09848	1.0
281.09442	1.5
312.11407	1.0
316.10904	1.3
321.43439	1.0
328.10938	1.2
330.12488	1.6
342.12616	2.0
358.12091	1.7
359.12402	1.2
360.13376	1.0
371.09171	1.0
386.11487	1.3
431.15051	0.9
446.17230	3.4
447.18237	1.1
461.16544	0.9
475.18344	1.7
491.17236	4.0
492.17746	1.1
503.18057	1.2
503.81528	0.9
519.16937	8.2
520.17615	2.0
529.15869	1.1
533.17633	1.1
577.20886	2.3
579.19714	2.6
591.18701	2.2
605.20355	4.5
606.21362	3.5
607.22028	9.9
608.22345	2.9
633.20117	1.2
651.20709	1.5
665.22534	39.2
666.23187	29.8
667.24139	7.5
697.25195	100.0
698.25592	30.4
698.34747	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10906	3.6
59.01378	3.4
61.98819	24.2
71.07300	6.0
71.89598	4.3
78.58572	4.0
78.90771	4.2
78.95911	40.2
93.06194	3.7
117.91637	3.9
150.05614	4.4
152.99623	18.7
301.15170	4.2
361.10553	7.4
365.02692	4.1
444.16354	4.4
445.16602	5.1
459.18323	9.9
487.17709	13.0
488.18573	15.6
489.19302	18.5
546.19073	5.8
547.19916	18.1
633.23657	47.8
634.24347	54.5
635.24756	31.2
650.24695	6.2
653.28522	4.4
665.26300	100.0
666.26550	25.2
697.29059	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	698.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81546	4.1
53.52002	5.0
59.01383	21.5
61.98835	21.5
71.01373	20.8
71.03517	9.1
82.02956	7.4
85.02958	16.3
87.00901	7.1
93.03477	7.1
96.96015	9.6
101.02454	8.4
110.02471	10.9
111.02866	5.6
113.02448	43.7
118.96288	4.7
119.05035	16.1
126.52277	4.6
129.05519	4.3
129.80058	4.2
133.02962	14.1
134.03784	5.8
135.04564	7.4
137.02478	5.7
145.02979	10.9
147.04601	7.4
148.04079	31.1
150.05602	16.8
160.04034	9.9
161.02475	7.9
161.04808	66.9
162.05640	5.8
163.04013	13.1
173.03557	7.5
175.03877	4.8
175.05168	52.0
190.07417	5.6
191.05589	8.6
191.08403	6.1
201.05722	4.7
202.08763	7.1
203.04758	11.0
216.06732	4.3
222.22632	5.0
226.06232	7.6
232.08493	9.1
233.09351	26.1
244.09825	77.2
287.10577	8.9
287.13647	5.2
288.08740	13.5
305.11493	21.6
323.12833	6.6
338.11539	10.8
375.27444	6.5
442.20004	6.5
468.17792	100.0
469.18188	12.3
472.20871	12.2
536.19684	7.2
605.26025	21.1
606.25604	5.6
610.34583	7.1
635.27240	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24792	2.8
59.01387	29.6
69.06573	2.4
69.13466	6.1
69.13869	18.6
71.01389	30.9
72.99294	3.3
74.89393	3.4
85.02957	17.5
87.00874	6.9
89.02458	23.8
93.03460	54.4
95.01395	6.0
96.96018	3.1
98.21679	5.4
99.00875	3.2
101.02446	13.1
107.05022	3.4
108.02176	3.4
111.00877	4.7
113.02458	43.0
117.03452	5.3
119.03541	5.4
119.05029	48.0
120.05382	3.3
121.02995	15.8
123.04550	4.5
127.11129	2.6
130.04204	5.3
130.32568	2.8
133.02924	3.6
134.03749	2.7
135.04530	8.6
137.02438	6.2
137.65079	2.5
143.05032	10.3
145.03015	10.3
145.06625	4.0
147.04556	7.9
156.05827	3.7
158.03716	3.9
159.04539	4.0
161.02504	6.0
161.04582	8.8
161.06030	4.7
163.04007	39.8
167.03575	5.0
167.05048	3.0
169.06583	19.3
171.08090	3.9
172.98251	6.0
173.06081	27.4
179.03482	5.3
179.05634	3.3
180.05817	18.3
181.06638	26.4
182.06996	3.0
184.05342	11.6
185.02272	6.6
185.06042	7.7
187.04039	4.9
193.06564	2.7
195.04478	6.0
195.08148	3.5
196.05223	4.0
197.06081	38.0
198.06744	3.9
199.07664	93.4
200.07970	8.9
209.05992	2.9
210.06737	2.5
211.07657	10.0
213.05585	9.2
213.09245	4.1
221.06145	5.2
223.07654	8.4
225.05580	11.9
227.07121	6.6
239.07138	9.5
241.08783	8.5
243.06624	75.1
244.06950	6.1
257.08170	8.3
267.06628	43.5
268.07013	4.4
269.08139	3.0
285.07693	100.0
286.08136	9.1
297.07681	4.6
315.08752	18.2
316.09192	3.6
325.09470	3.0
345.09766	65.5
346.09979	5.9
349.15012	3.7
351.16428	4.0
356.33359	3.2
373.15045	4.1
404.15805	3.1
405.11682	14.8
406.11923	3.1
423.12988	18.5
424.13449	4.1
439.12390	7.0
465.13641	13.1
467.06335	3.1
495.14883	3.1
523.14789	3.1
525.15930	16.0
593.15430	3.5
699.21826	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	700.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68331	3.6
51.44796	3.8
53.10121	3.6
61.98823	15.3
63.68917	3.5
64.04716	3.7
71.01389	4.8
78.95900	4.4
121.04924	3.0
260.95886	3.8
397.13437	7.3
496.14099	3.9
497.14471	4.4
571.18579	4.1
651.42322	3.8
657.21802	13.9
658.21527	5.0
700.11066	7.4
700.22681	100.0
701.23047	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.6
61.14721	0.3
61.98837	100.0
64.46636	0.3
71.01409	0.4
71.29341	0.4
109.06634	0.6
150.58420	0.3
171.10281	0.7
207.10278	0.4
215.07315	0.5
260.08743	0.3
372.69681	0.3
444.55539	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68587	1.0
59.01386	100.0
61.98834	3.3
62.70863	1.1
70.04071	4.7
92.85464	1.0
94.88167	1.5
116.23248	1.3
438.13312	2.5
452.15292	1.2
481.15244	34.2
482.15433	8.5
495.17047	11.1
496.17322	3.2
497.18420	6.9
514.15326	3.0
539.15881	2.3
540.16656	8.3
541.16956	3.1
554.18005	1.7
555.18903	55.7
556.19293	16.0
572.15485	19.2
573.15948	5.1
586.17468	7.0
587.17566	2.2
609.20013	1.9
641.22516	26.0
642.22906	8.2
701.24683	48.3
702.25092	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	701.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
57.03444	1.8
59.01387	6.1
61.98819	0.7
69.03459	5.7
69.75195	0.5
70.78353	0.5
70.78683	1.1
71.01387	5.2
71.05032	3.9
71.93223	0.5
73.02940	1.2
81.03484	0.7
83.01391	0.7
83.05030	1.0
84.18988	1.0
85.02944	1.6
87.00912	0.7
89.02451	3.4
95.04990	0.7
97.02937	0.8
97.06585	1.2
99.00913	0.5
101.02454	3.9
109.06628	0.8
113.02450	2.7
113.27715	0.5
113.52335	0.6
119.03526	1.0
123.08219	2.5
125.09750	3.7
133.02942	0.5
151.11250	2.8
153.12866	3.0
161.04594	0.8
161.09718	3.4
179.10786	7.7
180.11305	0.5
197.11845	100.0
198.12163	6.8
209.11810	0.9
215.07167	0.6
223.09848	1.4
235.08191	0.7
241.10832	6.0
253.09372	1.7
371.31512	0.6
454.94373	0.7
477.19800	3.5
539.25177	2.1
657.31317	3.3
658.31128	1.2
701.30298	88.4
702.30634	21.8
702.42908	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43493	0.6
57.00635	0.5
57.03452	24.5
59.01383	4.8
61.98817	1.7
69.03472	4.1
69.20360	4.4
69.20779	1.3
71.01385	1.9
77.26035	0.5
81.03463	1.2
85.02958	3.7
87.00888	1.6
87.04520	10.4
88.98811	0.7
89.02431	3.1
93.03468	1.2
95.05022	0.8
96.96012	4.7
97.02899	0.6
98.21859	0.9
99.04535	1.6
101.02436	1.2
113.02473	1.5
113.06097	3.0
116.92871	1.0
119.05038	1.8
127.07713	1.7
133.02971	1.6
135.04535	1.2
139.07706	0.9
145.02986	1.0
145.05060	0.6
149.06056	1.4
150.06877	18.5
151.07338	1.1
154.11279	0.5
155.07121	3.2
157.08670	0.8
161.02449	1.3
163.03992	1.1
163.07640	8.0
163.08820	0.8
164.08401	2.6
173.08197	67.6
174.08562	2.5
177.01910	1.0
178.10039	1.7
179.10797	7.7
185.08257	2.9
191.05571	0.9
193.21861	0.6
203.09256	8.3
226.06389	0.7
306.20987	0.7
323.12918	0.9
334.21625	1.6
335.22040	1.0
350.21066	2.6
364.22598	16.1
365.23270	13.2
366.23630	1.1
514.49194	0.7
520.30756	0.8
521.31146	2.4
538.31647	1.4
539.32397	1.8
683.36053	0.9
701.37585	100.0
702.37878	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	701.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31429	0.6
51.83458	0.5
54.22059	0.5
57.03452	31.6
58.92105	0.5
59.01387	4.7
60.59737	0.5
69.03444	2.4
69.89828	0.6
70.55804	1.8
71.01375	1.7
77.26028	0.6
81.03450	0.9
83.01443	0.8
83.14122	0.6
85.02958	5.0
87.00888	1.2
87.04523	10.2
88.08883	0.7
89.02448	2.8
95.05005	1.0
96.95993	0.8
99.04520	1.7
113.02464	1.7
113.06133	3.1
119.05053	1.3
127.07652	1.1
135.04489	1.1
137.06012	0.6
139.07729	0.8
149.06187	1.0
150.06883	31.3
151.07295	1.8
155.07199	2.1
161.09735	0.9
163.07619	4.7
164.08458	4.4
173.08200	65.6
174.08592	3.1
178.09943	1.5
179.10783	14.4
180.11096	1.5
185.08244	2.7
203.09259	7.7
209.11725	0.8
335.22324	0.8
350.20993	5.3
364.22543	3.4
365.23300	19.0
366.23679	2.5
401.67514	0.6
424.25739	0.6
521.31354	3.0
538.31580	1.0
539.32336	2.5
701.37610	100.0
702.37854	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	703.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09694	22.4
59.01385	28.6
61.98832	100.0
68.81948	20.8
74.26675	18.4
108.03791	21.5
109.06633	26.0
173.30519	20.4
197.67542	20.7
207.10254	93.1
223.13336	57.0
225.11320	73.6
228.70763	19.2
253.09296	25.8
413.23285	48.4
469.41913	22.4
649.32129	91.4
667.33270	85.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36260	0.4
59.01384	43.1
69.08188	3.8
72.99318	4.2
75.76333	0.4
80.49235	0.4
83.50562	0.4
88.19510	0.4
103.05551	1.6
113.02475	0.5
113.34033	0.4
119.05038	6.0
147.04539	100.0
148.04890	5.1
148.09645	0.5
163.03986	0.4
165.05583	86.0
166.05887	4.3
166.10220	0.5
191.78264	0.4
207.06644	53.4
208.06978	3.5
345.17276	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.8
60.01707	0.3
60.26716	0.2
61.98836	100.0
70.21295	0.2
71.01404	0.6
82.51411	0.2
84.25953	0.2
98.22639	0.5
182.83519	0.2
204.52032	0.2
217.35629	0.2
234.74876	0.2
302.76291	0.2
349.02948	0.2
366.79807	0.2
483.15182	0.4
484.15771	1.0
498.17047	0.3
543.17438	0.4
557.19299	0.7
558.19299	1.4
575.16284	0.7
589.18121	0.3
644.22534	1.1
704.24805	2.9
705.24353	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34984	0.1
50.96101	0.1
51.08655	0.1
54.34620	0.1
61.98837	100.0
62.98531	0.2
64.75896	0.1
68.87598	0.1
71.01055	0.3
79.71809	0.1
83.10055	0.1
157.81877	0.1
175.92407	0.1
195.67278	0.1
558.58563	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.5
61.98833	100.0
62.98541	0.2
70.34848	0.4
71.01398	0.2
85.03006	0.2
101.02492	0.1
107.63982	0.1
111.14149	0.1
113.02478	0.3
197.12001	0.2
207.10242	0.3
208.10652	0.1
209.11887	0.3
219.57220	0.1
225.11403	0.4
227.12868	0.1
307.19327	0.3
397.12964	0.2
464.66785	0.1
507.29874	0.2
625.28632	0.1
651.31097	0.2
686.30811	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
70.48458	0.5
78.95928	0.4
85.21973	0.3
109.06595	0.5
139.72125	0.3
207.10382	0.7
291.04251	0.3
321.63776	0.3
331.64722	0.3
429.59818	0.3
436.31174	0.3
441.83142	0.3
645.51990	0.3
680.76910	0.3
704.35895	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72946	1.1
53.09527	1.1
57.03450	2.0
59.01386	6.2
59.08876	1.0
63.02400	9.6
65.00331	15.7
69.94956	4.3
71.01378	4.7
73.02952	3.2
83.01396	10.0
85.02959	2.8
87.00863	2.2
89.02455	2.1
96.96001	1.9
98.21873	1.3
100.38072	1.2
101.02453	3.2
101.82552	1.1
107.01406	22.8
111.00914	1.5
113.02473	3.8
115.03984	1.6
121.02976	1.4
124.01692	8.5
125.02509	6.9
129.45206	1.0
131.03511	2.1
135.90491	0.9
143.03497	1.9
151.00386	100.0
152.01190	22.5
153.01950	1.6
161.02487	1.3
163.06145	1.4
169.01440	13.3
171.08144	1.3
174.03259	1.6
178.99878	39.7
180.00192	1.5
185.06076	1.5
187.07668	2.3
189.09181	2.8
190.02742	2.7
191.05746	1.3
199.07668	1.4
201.09277	1.2
215.07179	2.7
216.07916	4.8
217.08607	5.7
222.06680	1.1
225.05557	2.8
227.03522	1.4
227.07056	8.1
229.08765	2.2
237.09279	2.2
239.07124	2.0
240.07982	1.4
241.08784	2.6
243.06577	1.6
246.06836	2.5
253.05032	8.4
263.07211	1.6
265.08942	1.4
267.06720	1.7
269.08337	2.4
274.06305	1.9
279.10361	1.1
289.08853	5.0
290.05902	3.9
291.06512	3.5
293.04572	1.7
305.04941	2.1
305.08151	10.3
308.03293	4.8
309.04141	1.5
311.01758	1.1
321.04160	2.5
322.04733	1.9
333.07703	35.0
334.08066	5.3
350.04272	2.2
351.08670	2.9
353.06638	1.6
361.07190	80.3
362.07428	11.1
378.07474	18.6
379.08218	71.1
380.08548	9.6
396.08490	2.0
397.09372	2.3
468.88956	1.3
488.62686	1.4
553.19592	6.8
554.20148	1.1
579.17249	2.7
687.18811	4.0
705.20428	28.7
706.20587	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	705.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.2
59.01392	1.1
63.02400	12.2
65.00333	11.4
69.31699	7.2
74.99906	0.9
79.15424	0.9
83.01397	10.7
85.02970	0.9
87.56860	0.8
95.01390	1.9
98.22540	1.1
107.01403	27.2
109.02959	1.2
111.00900	1.4
113.02456	1.0
116.81921	0.9
118.87807	0.9
124.01669	8.0
125.02457	19.0
133.02998	1.2
149.02490	1.0
151.00381	89.2
152.01175	18.9
153.01949	6.7
159.04529	1.5
163.00375	1.6
169.01414	7.4
173.06070	3.0
177.01924	1.8
178.99867	93.5
180.00218	3.3
180.37524	1.0
181.01369	1.3
187.04066	2.1
187.07626	2.1
189.05614	4.1
190.02589	1.8
191.05600	0.9
197.06116	1.6
199.03940	1.4
199.07625	2.8
200.04761	5.2
201.05566	2.2
202.06366	1.3
212.04759	1.6
215.07133	33.3
216.07550	3.7
217.08667	4.4
225.05656	2.2
226.06314	1.1
227.07133	4.1
232.03838	1.4
238.37698	1.0
239.03571	1.5
239.07213	1.5
241.05026	3.2
242.05820	2.7
243.03047	1.9
243.06587	4.2
253.05107	6.5
254.05716	2.7
255.03023	2.1
265.08795	1.5
267.06741	1.6
269.08200	1.7
271.02545	4.3
271.06128	9.7
280.07278	1.1
292.07492	1.3
293.04736	1.4
293.08319	3.0
296.03342	2.2
299.01819	1.3
300.02692	10.0
301.03247	1.0
307.09579	1.6
311.09247	1.7
322.04874	1.3
333.04248	1.0
333.07605	5.1
334.08307	1.4
335.09317	1.5
336.06393	1.4
361.07303	1.8
369.10071	1.0
378.07523	1.9
379.08261	14.7
380.08627	1.7
397.09290	52.0
398.09671	7.1
496.92770	1.0
579.16956	2.8
705.20374	100.0
706.20752	26.4
732.53259	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.3
59.01371	3.6
61.98824	0.8
63.02409	9.6
63.23083	0.8
65.00333	9.7
67.01893	1.3
69.03416	1.0
69.31943	6.2
69.56733	1.0
71.01376	3.7
73.02915	1.0
78.95916	1.1
83.01385	11.9
85.02947	2.6
87.00861	1.1
93.03476	1.1
95.01374	1.3
96.96024	2.5
101.02458	1.3
107.01393	25.4
108.01643	1.0
109.02964	1.6
111.00854	1.0
113.02477	3.7
119.05064	2.2
122.74148	0.9
124.01682	8.7
125.02468	16.0
133.02957	1.7
135.04546	1.6
137.02448	1.2
145.02969	1.6
151.00385	85.2
152.01187	16.9
153.01950	6.2
159.04506	0.8
161.02472	1.5
163.00380	1.7
163.04091	0.8
165.01794	1.0
169.01421	9.5
173.06068	2.2
177.01938	2.0
178.99878	85.9
180.00212	5.9
181.01367	1.1
187.04044	2.0
187.07657	2.8
189.05528	4.8
191.05647	1.8
197.06105	1.3
199.04065	1.5
199.07697	2.6
200.04823	3.8
201.01895	1.1
201.05618	1.3
202.06285	1.5
210.32111	1.0
211.04028	1.1
214.02621	1.0
215.03889	1.0
215.07137	26.7
215.09198	1.3
216.07603	1.4
217.08670	4.5
219.06572	1.0
221.67439	1.2
225.05554	2.8
226.06296	1.8
227.03346	1.3
227.07066	5.9
228.12172	1.1
232.03787	3.0
238.86504	1.0
239.03656	1.1
241.05042	3.1
242.02222	1.4
242.05829	1.8
243.02908	2.1
243.06702	2.9
251.06931	1.1
253.05040	4.8
254.05809	1.8
255.02985	2.5
255.06615	1.1
265.08722	1.6
267.06604	2.6
268.07510	1.4
269.07883	1.0
270.01804	1.8
271.02771	5.8
271.06036	7.0
277.05066	1.2
278.05612	1.3
280.07364	1.1
291.06512	1.1
293.04904	1.9
293.08264	2.7
296.03134	1.2
299.02014	8.4
300.02777	9.5
301.03314	1.2
305.08337	1.1
306.05490	1.0
309.07733	1.6
319.05948	1.1
322.04929	1.3
324.09842	1.0
325.07208	1.4
333.07770	5.2
334.08298	2.0
336.06357	2.2
351.08765	1.7
361.07297	6.6
362.07581	1.2
378.07422	2.1
379.08264	14.4
396.08719	1.2
397.09296	41.9
398.09750	4.8
533.97888	1.2
579.17413	3.3
608.13257	4.6
705.20398	100.0
706.20740	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.3
61.98835	24.6
63.02385	0.7
65.00333	1.1
70.26263	0.7
71.01385	2.6
73.02949	1.1
85.02969	1.0
89.02462	1.4
91.82462	0.7
93.03469	0.8
96.96009	1.7
98.22655	0.6
99.00884	1.0
101.02478	1.6
107.01418	2.0
113.02462	2.0
116.92897	1.0
121.02937	1.0
125.09740	0.7
143.05008	1.1
143.41385	0.9
145.02980	1.7
151.00368	7.5
155.04997	1.3
159.04462	0.8
161.02466	1.0
163.11359	1.3
171.10239	1.0
178.99844	3.5
183.04546	2.0
185.02550	1.0
185.97118	0.8
187.04068	1.5
191.05621	1.2
197.11882	2.6
199.03998	6.1
199.13368	1.2
201.02017	1.2
201.11415	1.3
203.03572	1.1
207.10345	2.8
209.11778	4.4
211.04103	0.9
214.02783	1.4
215.03439	2.9
215.12941	2.4
225.11375	2.9
226.02679	0.9
227.03519	5.8
227.12895	2.3
241.01439	6.1
242.02205	3.3
243.03024	14.2
245.00975	4.6
253.09166	1.3
255.03036	11.3
256.03528	0.8
270.01755	5.8
270.04315	1.1
271.02502	34.0
272.02893	3.0
284.03259	1.1
285.04010	1.6
298.01324	3.5
299.02008	100.0
300.02673	30.3
301.03497	13.3
313.03513	1.6
314.04489	1.1
391.18842	0.8
397.09290	3.7
410.87494	0.9
462.07935	1.1
463.08859	10.9
464.09134	0.9
607.12915	2.8
608.13885	53.4
609.14093	9.6
633.08380	0.8
646.70471	0.8
687.32288	4.7
705.20386	3.9
705.32422	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	9.0
61.98840	100.0
62.16550	5.5
69.05453	10.6
69.05853	52.4
71.01376	5.8
83.05079	5.5
89.66244	5.4
109.06623	32.6
138.91393	6.0
144.70110	5.3
163.11243	10.0
185.59392	5.8
207.10266	73.6
209.11742	8.9
225.11368	44.0
253.09062	6.5
415.21164	10.7
461.20221	13.9
516.22272	6.0
607.27570	22.7
608.27625	6.6
625.28467	33.2
633.28503	7.4
651.30182	77.6
652.30420	21.6
669.31097	49.7
670.31104	11.6
705.28754	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	705.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.7
61.98835	100.0
62.86457	0.5
69.03454	0.5
70.19122	0.4
70.57139	0.6
70.57473	0.9
71.01388	2.6
71.05030	1.5
73.02959	0.9
83.01420	0.5
85.02982	1.2
87.00881	1.1
89.02456	1.2
97.02967	2.0
97.06609	1.7
99.00883	15.2
100.01218	0.9
101.02451	2.2
103.20091	0.5
107.81242	0.4
109.06603	0.6
113.02484	1.6
116.92913	0.4
120.29134	0.4
123.08183	1.1
125.09725	4.5
142.02704	0.6
163.11285	4.0
179.10886	0.8
181.12332	8.4
197.11821	2.4
199.13374	4.0
207.10271	18.3
208.10683	1.6
209.11955	1.6
215.07118	0.5
225.11343	30.7
226.11658	2.6
227.12988	1.1
243.12392	21.9
244.12785	1.7
253.09268	0.8
294.71530	0.4
317.15991	0.5
424.99170	0.6
461.20343	1.2
472.17694	0.5
479.21469	5.2
543.28625	0.9
687.32019	3.1
688.32495	0.7
705.33423	54.3
706.33734	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	705.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55709	1.1
53.94716	0.8
55.01889	1.1
57.03436	2.2
58.00581	1.9
59.01089	1.9
59.01382	33.4
61.97023	0.9
61.98830	2.6
67.36320	1.0
69.03452	0.9
69.14380	9.7
70.03279	1.3
71.01386	31.9
72.99311	2.8
73.02947	5.5
82.40373	0.9
83.01395	3.4
85.02956	14.2
87.00881	3.2
87.67651	0.9
89.02447	25.7
91.39065	1.0
93.03448	2.1
95.01399	2.8
96.01796	1.2
96.96017	2.9
98.21807	2.0
99.00896	2.8
101.02442	23.8
107.23269	1.1
109.93704	1.0
109.94400	1.1
113.02460	17.2
116.92786	1.0
119.03520	9.7
119.04982	1.7
121.02960	1.7
131.03470	1.3
135.04549	1.8
143.03508	2.4
145.02922	2.4
149.04491	1.6
161.02382	1.4
161.04504	5.7
163.04138	1.5
165.05595	2.5
179.05605	3.0
179.07063	1.1
184.86539	0.9
191.03944	1.8
191.05623	17.8
196.80011	1.0
251.06822	0.9
275.15002	3.9
319.13986	100.0
320.14371	9.9
411.10226	1.1
489.16287	2.6
669.23663	1.2
705.20319	8.0
706.19275	2.2
724.66266	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54841	0.1
59.01383	0.7
61.98835	100.0
62.98538	0.2
63.99264	0.2
65.72393	0.2
67.26918	0.2
68.59274	0.1
71.01391	0.7
85.02983	0.3
89.02481	0.3
97.03020	0.2
99.00886	1.0
101.02479	0.4
101.97598	0.1
113.02479	0.4
124.03355	0.1
125.09782	0.4
163.11378	0.2
181.12383	0.3
182.12775	0.2
191.05617	0.2
197.11906	0.4
199.13510	0.2
207.10298	0.9
208.10684	0.3
209.11871	0.4
214.06567	0.2
225.11346	1.2
226.11710	0.8
243.12370	0.8
244.12857	0.5
305.07495	0.2
309.20810	0.5
486.49826	0.2
548.49677	0.2
688.33301	0.4
706.33899	3.2
707.34454	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88915	0.1
59.01374	0.4
61.98833	100.0
62.98553	0.2
69.60889	0.3
69.61298	0.4
70.14143	0.1
71.01389	0.4
75.27346	0.1
80.46993	0.1
85.02977	0.2
87.00954	0.1
98.21818	0.2
101.02499	0.2
109.06599	0.1
113.02487	0.5
147.19701	0.1
186.07033	0.1
201.36009	0.1
205.08546	0.1
207.10275	0.2
225.11378	0.2
354.50223	0.1
392.99667	0.1
688.33502	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85068	1.7
58.71431	1.5
59.01084	2.6
59.01382	48.2
60.45613	1.4
65.37168	1.4
69.33076	3.3
69.33484	9.0
71.01410	1.8
72.99299	5.1
76.81204	1.4
93.03472	2.0
93.69427	1.6
96.57003	1.5
96.96023	3.2
98.22538	3.5
113.02472	2.6
119.05030	6.7
144.92616	1.5
145.02844	1.5
147.04532	100.0
148.04855	5.4
165.05582	87.6
166.05904	4.2
191.05667	2.3
207.06639	51.3
208.07071	3.1
219.66441	1.6
350.30429	1.8
364.93365	1.8
623.97150	1.7
717.77704	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	707.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48484	5.7
55.37844	6.0
59.01386	18.3
61.98837	63.6
71.01390	8.5
81.03440	8.4
82.37610	5.5
83.05056	8.2
97.02996	10.3
98.21758	18.7
101.02453	8.3
109.06593	20.5
113.02473	12.1
129.01953	8.2
153.36067	6.6
163.11331	12.7
197.20923	6.8
207.10263	76.6
209.11871	100.0
210.12331	9.6
215.07153	20.5
225.11269	39.9
227.12921	29.0
233.12227	6.8
235.08261	10.8
244.54747	7.0
253.09389	14.4
287.50204	6.7
417.22952	10.2
461.20499	20.6
604.86322	8.1
635.30566	25.3
653.31903	23.5
671.32867	44.3
672.33600	9.8
707.30310	32.2
708.30524	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	707.35
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45358	2.4
59.01385	44.1
61.98839	11.4
69.03463	3.0
71.01384	30.1
73.02947	6.5
80.98725	2.5
81.03487	2.6
85.02968	8.4
87.00883	8.8
89.02451	31.5
95.01362	2.8
96.47662	3.2
97.02987	7.5
98.21788	5.7
99.00839	4.1
101.02450	25.8
113.02455	13.5
119.03516	9.1
125.02451	10.3
143.03516	6.7
149.39194	3.1
161.04634	7.2
179.05605	3.9
207.10315	3.2
235.08278	16.4
249.18628	78.7
250.18927	6.9
253.09293	4.7
287.08078	3.0
305.08710	5.4
397.13528	100.0
398.13693	6.9
415.14600	38.3
473.21042	3.0
709.90448	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	709.322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01917	1.3
57.97409	1.3
59.01392	6.9
61.76404	1.2
61.98839	45.6
62.34896	1.3
70.86145	2.2
71.01396	7.0
75.00868	1.9
83.05009	1.6
85.02950	4.5
87.00882	2.5
89.02459	3.3
97.02926	1.7
97.06633	1.4
101.02442	3.1
113.02464	7.8
133.02928	3.1
135.40448	1.3
161.02515	2.7
161.93919	1.3
163.04103	1.3
178.02612	1.8
186.06828	2.7
187.07596	1.7
191.05687	2.3
207.10240	1.7
209.11858	100.0
210.12157	6.3
214.06400	3.2
214.51898	1.4
215.07130	3.1
225.11369	1.6
227.12901	25.6
228.13120	1.8
229.08652	3.3
235.08337	2.9
253.09352	6.1
254.09549	1.5
264.20020	1.3
386.39035	1.4
397.13937	1.4
432.70682	1.5
445.20816	3.5
446.21457	2.2
451.58932	1.5
468.19348	1.3
709.31915	16.8
710.32098	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	709.381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	6.8
61.98830	9.1
63.13328	3.0
80.66403	3.2
85.71670	3.2
92.87110	3.6
95.05025	4.2
97.06601	6.7
123.08163	25.6
133.06638	4.5
151.07626	15.9
169.08751	24.8
179.05254	3.5
277.21732	62.7
278.22162	6.8
296.50085	3.4
622.39557	3.6
709.21515	10.1
709.38068	100.0
710.21240	6.5
710.38208	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.1
59.01379	8.1
61.98840	6.2
69.03472	4.2
70.28888	1.0
70.29218	2.0
71.01385	7.6
71.05011	3.1
73.02922	1.0
83.05036	1.0
85.02955	2.3
87.00864	0.9
89.02450	3.4
97.02958	1.3
101.02479	4.3
113.02486	3.0
114.21445	1.0
114.28121	0.9
119.03368	1.0
123.08203	1.4
125.09735	2.8
151.11331	2.3
153.12852	2.0
161.09746	2.7
179.10805	7.4
190.44702	0.9
197.11842	100.0
198.12172	5.8
223.09798	2.4
241.10800	4.8
249.08467	0.8
249.18623	23.0
250.18985	1.9
253.09254	2.9
261.04114	1.0
302.85950	0.9
459.18533	2.1
477.19910	5.0
547.32916	1.2
634.02631	1.0
648.65210	1.5
709.38074	81.7
710.38434	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	709.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96322	0.8
55.75039	0.7
57.03458	1.5
58.36598	1.0
59.01387	18.2
61.98830	2.8
63.43337	0.7
65.78893	0.9
67.02913	0.9
69.03464	0.9
71.01382	7.4
71.49077	0.9
73.02946	1.5
75.10832	0.8
80.02699	1.8
81.03465	3.1
83.01373	1.3
83.05049	4.8
85.02963	2.2
89.02449	4.3
89.33260	0.8
97.02962	6.3
97.06596	1.3
99.00896	1.4
101.02449	7.0
103.15096	0.8
107.05016	1.5
109.06600	39.7
110.03738	1.3
110.06934	1.5
113.02467	2.9
119.03539	1.4
119.66788	0.8
121.06631	1.6
121.59518	0.9
123.04547	3.2
125.09677	1.3
127.90212	0.9
128.90250	0.8
135.08214	5.0
136.05374	1.0
142.02753	2.7
149.09756	1.2
153.09303	0.9
161.04637	2.2
161.09727	1.7
163.11304	19.5
164.11638	1.3
167.10777	12.5
168.11299	0.9
181.12386	5.1
189.09268	2.8
195.10300	3.6
207.10283	100.0
208.10664	7.5
209.11829	4.0
225.11339	40.5
226.11687	3.6
227.32143	0.9
228.77501	1.3
235.08183	5.0
247.17046	4.6
253.09309	16.3
265.18094	71.7
266.18390	7.8
281.14063	1.1
291.19980	1.5
293.21353	2.1
299.14963	2.0
429.30255	1.6
443.19214	5.2
449.14221	0.9
461.20319	15.0
462.20621	1.8
691.36688	1.3
695.49634	1.0
709.38110	34.8
710.38501	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	710.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02728	4.0
59.01382	23.1
61.98843	23.5
67.41782	4.4
69.03920	23.8
69.04343	18.6
71.01374	11.9
83.05033	4.6
85.02975	4.8
89.02450	11.6
89.13419	5.0
91.00740	4.2
94.78553	3.8
95.05027	4.1
97.02959	6.8
98.22514	10.2
101.02460	6.0
109.06591	35.6
113.02427	6.4
116.01273	4.4
134.41930	4.2
135.08206	4.6
161.04565	5.2
163.11308	20.5
205.12337	6.2
207.10269	100.0
208.10593	8.2
209.11876	12.2
210.21977	4.4
223.13396	63.2
224.13757	4.7
225.11356	46.5
226.11650	7.1
235.08144	5.5
253.09320	14.8
265.18176	6.9
395.22211	7.0
413.23492	19.1
431.24124	5.7
461.20435	25.0
463.22031	5.3
573.18372	4.7
649.32379	38.8
650.34851	4.9
667.33496	38.0
668.33746	10.1
720.83276	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	710.4353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92292	7.5
56.43747	8.0
57.72126	7.4
69.82514	8.1
71.28200	8.2
71.28564	7.9
71.49277	7.5
73.04092	15.7
85.06604	51.1
126.09321	10.6
129.10362	13.2
130.08751	94.6
131.07159	100.0
139.08783	9.9
143.11931	34.4
151.08788	10.3
155.08301	20.9
170.08228	18.3
187.10912	36.0
207.15042	25.4
219.94809	10.3
224.17685	15.6
242.18781	26.2
268.16620	10.3
282.18173	11.4
283.16602	11.7
300.19531	15.0
301.17465	11.7
356.25497	64.2
413.27594	15.4
425.27835	10.9
435.86481	10.1
460.36658	8.5
482.30463	12.6
522.49677	9.5
527.34515	77.5
528.34833	17.3
578.35797	99.1
579.36536	13.6
596.36700	14.9
618.96246	11.2
680.42059	19.6
710.43658	44.5
711.42017	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	711.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54151	2.6
55.48674	2.6
59.01373	16.0
70.86655	6.7
71.01390	14.3
73.02937	2.8
85.02950	8.1
89.02441	9.5
93.03458	4.9
96.04579	2.4
101.02438	4.4
113.02444	13.1
117.03482	21.0
119.03574	3.4
119.05033	61.1
121.02961	6.1
131.05048	4.9
133.06627	13.2
135.04494	5.2
145.02962	100.0
145.06573	3.6
146.03284	6.9
147.04570	3.0
158.03722	6.9
159.04543	18.8
161.04771	4.4
161.06097	25.5
163.04005	55.1
177.05499	3.1
187.04012	92.0
188.04298	5.8
191.07169	3.3
205.05066	21.5
211.07645	6.3
217.05014	5.3
223.07744	14.2
235.06061	8.1
265.07025	42.8
283.09793	5.2
307.08490	7.1
308.08521	3.9
309.07715	6.1
325.09253	50.8
326.09573	5.0
327.08740	17.9
344.13577	20.4
366.11563	3.7
369.09628	12.4
399.10837	5.6
429.11945	14.5
463.76004	2.6
489.14001	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	711.268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	8.2
60.51464	3.8
61.98833	36.0
69.06506	3.5
69.96586	3.8
70.59659	9.3
70.60001	3.8
71.01385	6.4
87.00956	3.7
87.07902	3.8
101.02494	5.9
109.06610	6.0
120.04539	4.1
163.11353	5.6
171.10277	11.2
207.10286	23.1
225.11305	10.8
249.18597	12.7
253.09299	8.1
267.19672	21.5
389.39011	4.4
397.13550	8.2
488.15988	4.4
499.15326	4.1
501.15820	6.1
563.19287	6.4
587.20081	7.5
605.20660	4.6
649.22485	7.2
679.24030	39.6
680.24701	32.6
681.24762	5.0
711.26947	100.0
711.38995	10.6
712.27094	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	711.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33017	1.7
61.98832	9.6
78.95869	2.7
79.80055	1.6
106.06630	4.7
120.04546	5.7
134.06093	1.6
207.10300	4.3
225.11406	4.3
237.06671	4.0
249.18672	3.8
253.09341	2.6
293.21231	2.1
323.82654	1.7
337.45645	1.9
475.17975	1.9
501.15854	4.4
530.16089	2.2
561.18085	4.1
563.19147	4.8
564.20258	3.7
587.19543	5.0
605.20441	6.4
606.20819	4.5
615.18744	2.1
616.19971	2.1
617.20508	3.7
647.21582	2.7
648.22095	2.9
649.22961	10.4
650.23602	3.1
679.24176	42.7
680.24579	26.9
681.25415	6.3
711.26740	100.0
711.37915	3.8
712.27228	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	711.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56216	1.4
53.44651	1.6
59.01370	5.8
61.98828	3.5
63.97284	1.3
65.42712	1.6
69.03452	5.6
71.01379	5.5
71.05020	1.8
89.02468	3.1
98.21706	3.2
101.02459	3.9
114.27283	1.3
125.09751	1.8
137.25667	1.9
154.91615	1.3
156.24797	1.4
161.04623	1.5
171.10292	2.2
179.10728	7.5
197.11839	84.4
198.12180	5.6
223.09782	2.2
241.10960	3.3
251.20169	34.2
251.22673	2.8
252.20535	4.2
253.09250	4.3
262.44116	1.3
277.21796	3.4
477.19675	3.4
711.39587	100.0
712.39862	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	712.319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34049	1.2
58.45849	1.3
59.01384	18.8
62.09224	1.3
70.15998	5.1
71.01394	9.7
73.02943	3.2
81.03440	3.7
83.05037	4.1
83.50406	1.1
83.51251	1.3
85.02946	2.2
87.00897	2.8
89.02456	4.0
90.88960	1.2
94.13446	1.4
97.02951	8.1
99.00897	2.1
101.02454	6.6
108.21724	1.4
109.06604	45.3
110.03739	1.5
110.06918	1.5
113.02496	3.3
121.06598	3.5
121.23696	1.7
123.08092	1.8
125.09718	9.5
135.08153	4.3
136.05284	1.5
142.02687	1.7
145.10258	1.5
161.09706	3.6
163.10019	2.2
163.11299	26.5
164.11586	2.4
165.09164	1.3
171.09941	1.7
175.11205	1.8
179.05518	1.6
179.10904	1.4
181.12335	5.3
185.11838	1.8
187.09798	2.4
189.09203	2.8
203.10793	1.3
207.10277	100.0
208.10652	8.6
209.11839	11.6
223.09708	2.8
225.11349	50.0
226.11591	2.9
235.08162	4.3
235.13641	1.8
245.11826	2.1
253.09271	12.6
263.12885	4.2
293.21539	1.4
299.15106	1.9
327.19788	1.9
353.20999	2.5
371.18567	4.3
371.22510	3.5
379.19806	2.2
387.21683	2.2
389.19601	3.8
397.20300	6.9
415.21262	17.7
416.21799	2.1
421.14883	1.5
433.22501	6.3
443.19263	3.6
459.18546	1.9
461.20218	16.4
462.20435	2.7
489.24530	2.0
597.28882	2.9
607.27454	16.5
608.27484	3.1
623.30792	1.7
625.28705	27.0
626.28680	5.0
633.29413	10.6
634.29279	4.3
651.30249	58.4
652.30627	13.4
669.31287	30.6
670.32074	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	712.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53666	1.5
59.01376	16.5
61.98817	4.6
69.33681	1.7
71.01393	9.3
73.02927	2.6
80.02679	3.2
81.03452	4.5
83.01398	1.8
83.05025	5.9
85.02982	2.5
87.00883	2.8
89.02441	4.7
91.21439	1.4
95.05018	3.5
97.02978	8.9
97.06579	2.0
99.00868	3.0
101.02442	7.4
107.05009	1.8
109.06599	45.9
112.54821	1.5
113.02472	3.9
121.06625	3.6
123.08154	1.8
125.09709	7.3
133.81807	1.6
135.08185	5.3
142.02736	3.0
153.06783	1.6
161.09688	3.8
163.11313	21.5
164.11771	1.8
171.10318	2.9
181.12386	3.5
187.09717	2.1
189.09276	1.7
191.10794	2.4
207.10280	100.0
208.10631	5.9
209.11780	13.2
215.07304	1.9
223.09828	3.9
225.11331	47.6
226.11565	3.7
235.08299	3.0
235.13423	2.6
237.11447	2.8
253.09366	8.3
263.12924	4.9
371.18637	4.5
387.21939	3.3
389.19394	2.7
397.20288	7.4
398.20496	2.0
403.81635	1.9
405.22845	2.0
415.21320	18.5
433.22006	3.8
443.19211	3.4
461.20313	14.3
541.67792	1.8
597.29309	3.2
598.29559	2.2
607.27563	12.1
608.27972	3.7
623.30530	3.0
625.28790	23.6
626.28577	6.5
633.28998	13.8
634.29517	3.1
651.30298	55.3
652.30542	14.3
663.99402	1.8
669.31152	32.3
670.32111	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	713.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08989	2.0
55.01883	4.3
57.03442	2.9
57.46504	1.9
59.01393	19.0
61.67523	1.9
69.03464	2.5
69.45644	1.8
70.01070	7.4
71.01389	15.9
74.13118	2.0
75.09689	2.6
81.03463	5.4
83.01385	7.6
85.02964	39.5
87.00874	2.6
89.02450	13.6
93.03490	11.2
99.00893	3.0
99.04539	7.4
101.02455	21.9
110.02537	2.8
111.00890	26.7
111.04547	2.5
113.02481	14.2
117.03474	27.6
119.03596	4.4
119.05043	89.5
120.05344	5.0
121.02978	9.0
127.04053	11.5
129.01953	91.3
130.02286	2.4
131.05029	8.7
132.05759	4.2
133.02921	3.0
133.06609	10.1
135.04533	2.5
139.03996	4.8
145.02972	100.0
146.03281	4.0
147.04572	3.2
156.05852	7.4
157.06601	4.8
159.04567	3.9
161.02454	3.0
161.06110	17.4
163.04027	95.5
164.04388	6.1
169.06624	12.7
170.07237	2.9
171.04538	3.7
171.08174	20.9
177.05608	7.6
179.03491	3.2
185.06079	5.0
187.04068	31.2
187.07675	5.7
188.04437	4.8
197.06006	3.3
205.05069	27.1
213.05623	5.2
215.07144	64.3
216.07440	5.5
235.06209	6.8
241.04880	2.6
259.06146	15.1
265.07147	19.1
273.06262	7.2
283.09799	6.1
291.07352	3.3
301.07220	9.1
307.08395	3.0
307.13660	2.4
323.07697	2.4
325.09308	13.1
361.09293	9.2
369.09464	2.6
371.13406	10.7
393.11923	10.0
437.10913	49.7
438.10971	5.5
439.12869	5.7
489.14197	6.0
533.13086	17.6
622.99286	2.4
688.56488	2.5
713.19495	30.9
714.19611	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	713.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86587	9.4
57.08776	7.8
57.29149	7.5
59.01389	9.7
59.04609	8.1
61.98838	80.7
71.01363	12.0
74.81804	9.0
78.95879	11.3
89.76265	9.0
98.21713	16.3
112.69846	8.7
145.02937	10.1
152.60065	10.7
166.39909	9.5
251.20110	9.4
279.23080	13.8
297.41052	9.5
397.13602	25.7
415.14621	11.6
458.26163	11.3
465.37103	10.1
489.15799	15.0
503.17612	20.7
512.16644	8.7
591.22644	18.4
649.23096	70.7
650.23145	47.6
651.24487	16.2
652.23151	12.2
681.25616	100.0
682.26227	47.4
683.27057	11.4
713.27893	58.2
714.28607	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	713.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44144	0.8
59.01369	2.7
59.02889	0.8
61.98833	100.0
71.01381	2.1
75.37323	0.8
78.95872	0.9
89.02454	1.5
101.02473	2.2
106.06692	1.0
125.02444	0.8
141.90131	0.9
143.66147	1.0
184.65976	1.1
253.21552	1.6
254.21985	1.6
310.91769	1.0
397.13513	5.7
398.13925	2.2
399.13797	1.5
415.14389	1.4
419.15460	1.2
459.18430	1.2
475.17758	1.8
489.15851	3.9
503.17181	4.6
504.17807	4.1
562.19086	1.5
563.19202	2.4
573.21375	1.0
575.19690	1.9
590.21973	1.7
591.22571	8.7
592.22980	2.3
605.24255	1.6
607.22156	1.3
621.23615	1.3
628.30896	1.0
649.12817	1.3
649.23242	16.7
650.23755	17.1
651.24756	6.5
652.25458	1.1
681.25616	50.0
682.25983	13.0
713.27228	6.4
714.29138	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	713.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70804	12.7
59.01392	13.1
61.98844	74.6
66.48824	9.9
69.07848	100.0
70.27321	10.3
71.01402	15.8
104.88506	12.7
279.23248	51.6
397.13565	97.0
415.14618	37.4
446.55975	11.7
617.09485	12.4
649.22845	14.2
681.24445	38.8
682.24927	26.3
713.26385	86.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	22.7
61.50521	2.2
61.98840	21.2
71.01392	30.7
73.02955	5.8
78.25844	2.0
78.95905	4.5
83.01418	5.0
85.02971	10.8
87.00879	19.3
89.02453	23.3
95.01424	2.2
95.31023	2.2
97.02969	4.7
99.00911	3.7
101.02460	33.1
103.28830	2.1
105.80713	2.4
109.32407	2.3
111.26818	2.1
113.02464	18.0
116.14799	2.6
119.03533	3.9
125.02454	11.5
126.39939	2.4
143.03510	8.9
161.04611	9.4
164.51199	2.3
171.10284	4.9
179.05586	7.3
191.83333	2.4
198.48872	2.4
207.10243	2.1
207.18661	2.3
235.08315	16.2
253.09254	14.5
255.23323	100.0
256.23694	9.8
287.07742	4.6
305.08923	7.9
323.09915	3.6
365.50775	2.4
397.13535	74.0
398.13956	10.7
412.66519	2.3
415.14648	52.4
416.15091	5.7
681.25342	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	713.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56282	1.4
59.01376	4.9
59.66866	1.4
69.03460	4.5
70.63609	1.8
70.63914	2.1
71.01384	3.6
85.02964	1.6
89.02469	3.2
97.02995	1.8
101.02450	2.8
107.62730	1.5
125.09765	1.6
151.11314	3.3
153.12875	2.1
161.09680	2.4
171.93446	1.5
179.10789	7.3
197.11842	67.5
198.12210	3.7
241.10628	1.7
253.09264	3.3
253.21751	67.6
254.22118	6.8
307.85870	1.5
316.72015	1.9
357.37772	1.5
713.41199	100.0
714.41510	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	6.2
69.03441	5.9
69.15270	2.8
69.15675	12.8
71.01364	5.6
71.69470	2.0
85.02933	2.3
89.02482	2.9
97.06567	2.0
98.21824	3.6
101.02449	4.4
123.08165	2.6
125.09692	2.4
146.32809	2.1
151.11325	4.4
161.09747	4.8
175.32767	1.7
179.10754	9.8
197.11842	53.3
198.12257	2.1
235.43262	1.9
241.10799	4.3
253.09406	2.7
253.21761	100.0
254.22110	10.7
283.65573	1.8
531.19763	2.1
654.74548	1.8
713.41205	89.4
714.41467	22.8
723.88318	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74485	0.5
72.86098	0.5
99.13820	0.5
103.45201	0.5
164.22781	0.4
208.61627	0.5
677.49988	4.7
678.50104	1.5
713.47382	100.0
714.47687	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	714.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10003	2.7
61.98824	5.4
171.10263	3.7
195.74153	2.9
253.21767	3.3
305.65271	2.9
343.09781	2.9
420.38498	3.1
507.09152	3.5
539.16766	4.4
580.09265	3.2
671.23999	13.3
714.24243	100.0
715.24371	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52270	1.8
54.54268	1.7
59.01386	11.8
61.98840	30.8
68.26826	2.2
71.01363	8.8
71.29291	4.4
80.02658	2.9
81.03465	3.6
82.84971	2.3
82.95441	2.8
83.05027	7.6
85.02948	6.0
89.02428	4.8
89.17404	1.9
93.03495	3.8
93.56279	2.2
95.05059	3.0
96.95995	2.8
97.02957	5.6
101.02440	7.5
109.06598	25.8
113.02451	8.1
125.09725	4.2
129.01907	2.2
133.03067	2.2
135.04530	4.1
135.08203	3.3
148.05273	2.2
161.04585	3.7
163.11270	17.6
169.08777	2.3
181.12418	2.8
185.11940	3.5
191.05652	3.2
197.11826	3.1
207.10286	60.1
208.10632	5.7
209.11842	100.0
210.12143	4.5
215.07137	12.5
225.11342	32.7
226.11736	3.5
227.12946	12.2
229.08540	3.3
235.08264	3.1
253.09239	8.5
256.07321	2.6
399.21762	5.1
417.22739	3.8
418.17291	2.4
461.20294	7.6
488.67853	2.3
635.31116	10.1
653.31970	15.7
654.32574	3.9
671.32660	18.5
672.33386	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	714.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03445	0.3
59.01374	0.3
61.98835	100.0
68.48805	0.3
69.09566	0.7
69.09978	2.1
70.58929	0.3
78.95948	0.3
85.57098	0.3
103.62975	0.3
117.73546	0.3
118.68727	0.3
134.97035	0.3
140.14680	0.3
194.60840	0.3
260.90067	0.3
267.64291	0.3
353.46896	0.3
558.15930	0.3
615.68707	0.3
650.23444	1.1
651.24451	1.1
682.26483	1.9
683.26190	0.5
714.29102	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01085	1.4
59.01385	22.1
65.00339	1.0
68.97920	8.0
71.01384	0.8
72.99319	3.2
73.06403	0.6
85.02963	0.7
95.12080	0.6
96.96036	0.8
107.01410	2.4
108.02190	1.0
110.02452	0.7
113.02469	1.1
117.03473	1.1
119.05041	3.9
121.02993	1.7
145.02988	1.0
147.04543	49.4
148.01715	0.9
148.04887	2.9
151.00374	6.2
161.02501	0.8
163.00386	1.8
163.04030	1.1
165.05588	45.3
166.05923	2.2
178.99898	4.2
187.03970	1.4
207.06648	30.8
208.06906	1.7
211.03993	0.8
226.02739	1.2
227.03496	1.4
229.05156	0.7
243.02997	5.6
245.04422	0.9
245.09315	0.8
254.02229	1.4
255.03014	14.3
256.03342	1.5
271.02515	35.9
272.02863	3.9
273.04175	0.7
283.02509	0.9
300.02783	72.9
301.03497	37.2
301.07095	0.9
301.10733	0.8
302.03894	3.0
308.42441	0.7
463.08881	100.0
464.09137	15.3
485.65381	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55749	1.5
56.47012	1.5
58.00596	2.0
59.01386	26.3
60.63708	1.6
69.32689	8.9
69.33099	3.1
71.01388	24.1
72.58462	1.9
72.99292	2.9
75.65073	1.5
78.32587	1.7
85.02969	10.4
87.00883	1.5
89.02458	19.2
93.03471	4.5
95.01369	2.2
96.96017	6.1
97.78887	1.6
101.02461	10.6
111.00902	1.7
113.02446	17.7
114.66759	1.7
117.03462	11.3
119.03539	6.7
119.05035	36.0
121.02977	7.7
129.01953	5.8
130.04247	2.6
131.05034	10.6
132.05836	5.9
133.06598	12.0
135.04543	6.8
143.60526	1.7
145.02959	44.9
156.05791	2.4
157.06534	1.7
159.04514	3.1
161.02480	1.9
161.04755	3.7
161.06078	21.3
163.04037	40.9
163.65656	1.6
164.04349	2.9
169.06619	7.5
170.07074	2.4
171.04504	2.0
171.08171	16.4
177.05597	5.5
179.05638	6.3
185.06100	4.7
187.04045	17.0
187.07614	6.1
191.07175	2.0
205.05052	33.8
206.05380	2.6
213.05576	6.6
215.07195	16.5
229.08638	2.4
231.06650	6.4
235.06175	12.1
255.06473	3.1
257.08237	3.2
259.06174	3.1
265.07190	22.5
273.07742	4.7
283.05945	1.8
293.12296	5.0
301.07233	7.5
307.08118	1.7
325.09308	12.2
331.07968	2.7
361.09396	3.9
421.11569	2.0
439.12463	100.0
440.12732	14.5
455.12424	2.3
481.13721	14.0
482.14291	2.1
511.14468	1.9
520.16974	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	18.6
63.49714	1.3
69.34756	7.6
69.35164	2.5
71.01389	17.7
72.99295	1.7
85.02975	6.7
87.00906	1.7
89.02447	11.5
93.03488	6.8
95.01380	1.9
96.96036	1.9
101.02466	8.5
101.03030	1.5
108.81039	1.5
113.02470	14.3
117.03488	16.9
119.03551	4.9
119.05042	68.7
120.05389	3.9
121.02988	12.8
121.12657	1.4
123.04533	1.5
129.01958	1.7
130.04259	2.9
131.05066	9.3
132.05832	9.4
133.02979	2.3
133.06639	17.3
135.04582	2.4
135.44305	1.5
137.02515	1.7
145.02963	100.0
145.06639	1.9
146.03313	3.7
147.04575	1.9
156.05865	2.9
157.06514	1.9
158.03764	1.4
159.04512	12.0
160.05034	1.6
161.02484	2.8
161.04729	2.3
161.06091	35.7
162.03255	1.5
163.04027	83.3
164.04381	4.9
169.06622	6.3
170.07298	1.5
171.08186	15.3
172.08475	1.5
177.05672	3.6
177.99130	1.4
179.05609	5.2
183.08261	2.6
185.06125	3.8
187.04015	49.7
188.04405	3.1
191.07184	3.9
205.05075	70.4
206.05399	3.2
211.07504	1.9
213.05678	1.8
215.07129	32.1
217.05106	4.8
229.08736	2.2
235.06142	23.7
241.06274	3.3
247.06190	2.4
257.08231	5.5
259.06082	9.2
265.07187	82.1
266.07645	6.2
291.07156	1.7
301.07208	11.1
302.07516	2.0
307.08606	3.4
322.95486	1.6
325.09357	30.2
326.09811	3.3
331.08331	5.9
361.09341	17.2
439.07233	1.2
439.12466	30.2
440.13245	3.3
449.56393	1.6
467.12387	1.6
481.13626	4.4
715.21344	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	715.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.7
69.03444	3.7
69.82453	2.7
71.01377	6.3
80.95973	2.7
89.02473	3.9
89.28363	2.8
95.82679	2.5
98.21730	6.2
151.11324	2.8
161.04683	4.0
161.09749	4.1
169.90327	2.7
179.10823	10.6
197.11841	46.5
197.13516	5.2
221.96605	2.7
228.13551	2.7
233.61420	2.8
255.23326	100.0
256.23700	10.0
281.24643	3.6
330.83386	3.3
470.30579	3.0
715.42761	96.9
716.43256	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	716.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68002	0.2
53.68405	0.2
58.72295	0.2
58.86661	0.2
61.98835	100.0
62.98546	0.2
74.86449	0.2
77.21612	0.2
80.55846	0.2
85.48741	0.2
175.78056	0.2
185.29004	0.2
209.11937	0.2
237.98389	0.2
424.96310	0.2
615.21295	0.2
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
59.01377	0.3
61.77452	0.1
61.98836	100.0
62.98538	0.2
62.99253	0.1
69.08204	0.6
77.71770	0.1
89.02479	0.1
98.21860	0.1
136.31473	0.1
148.69652	0.1
170.71024	0.1
256.23828	0.1
257.23969	0.1
397.13651	0.1
398.14108	0.1
399.14227	0.1
400.14514	0.1
452.09631	0.1
492.78528	0.1
657.22235	0.1
689.74915	0.1
717.24689	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58935	0.4
53.63317	0.4
61.98834	100.0
69.67134	0.4
72.68598	0.4
78.95939	0.5
98.22550	0.7
102.31660	0.4
178.09285	0.4
302.23447	0.4
310.23990	0.4
379.45468	0.4
459.88214	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70713	0.2
59.01379	0.2
61.98835	100.0
78.95949	0.3
90.06004	0.3
96.95992	0.3
98.21622	0.4
99.60598	0.2
114.37725	0.3
253.81866	0.2
443.01447	0.3
499.11166	0.2
652.25360	0.3
684.27893	0.4
717.38776	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29967	3.0
53.31518	3.0
55.41320	3.7
59.01385	87.2
61.98837	100.0
69.03548	3.9
79.76901	3.9
81.68848	3.1
113.67111	3.1
169.59229	3.7
213.69958	3.9
296.16916	3.6
311.31879	3.5
481.11530	5.0
496.13852	13.8
497.14282	6.9
510.15024	5.2
511.16052	8.4
512.16608	5.6
513.17950	3.6
567.18713	8.8
568.18890	7.5
571.18494	10.1
598.20300	5.2
599.21576	35.9
600.21777	8.3
657.21948	15.6
658.22021	6.9
717.24280	60.6
718.24023	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	717.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	21.3
61.17472	3.2
61.98822	11.1
66.81035	3.2
67.74527	3.0
68.65851	2.9
71.74627	2.6
75.56538	2.6
78.95884	3.4
79.25958	3.3
140.11214	3.2
143.40726	3.0
146.24025	3.6
454.17105	3.5
481.12329	4.2
496.13812	12.3
497.14789	7.5
498.15149	6.2
511.16327	100.0
512.16608	28.5
528.12927	3.8
555.15515	5.5
570.17633	72.5
571.18115	42.4
572.18683	5.4
625.19336	7.2
626.19208	7.2
657.22339	18.1
658.22186	9.1
717.12341	3.9
717.24335	66.2
718.24359	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	718.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42917	0.3
57.74061	0.3
59.01382	1.4
60.06715	0.3
61.98833	100.0
65.21432	0.3
67.11662	0.3
71.01405	0.5
85.00483	0.4
85.02948	0.5
89.02451	0.4
98.22524	0.7
101.02482	0.4
103.01499	0.5
113.02527	0.8
119.71523	0.3
133.02933	0.5
145.02998	0.4
163.04109	0.4
171.10269	0.3
197.11865	0.8
205.08694	0.4
209.11897	0.4
211.05458	0.3
215.97574	0.4
227.12901	0.3
233.08174	0.5
247.09837	0.5
248.10175	0.4
307.08350	0.4
322.82843	0.3
325.09048	0.3
390.16705	0.4
509.11987	0.4
526.51782	0.3
676.40143	0.4
708.99799	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	37.0
61.98843	48.6
65.33205	4.7
71.01387	28.1
73.02962	8.5
81.82500	4.1
85.02954	12.0
87.00871	21.6
89.02451	24.2
93.24599	4.2
94.88286	4.7
97.02953	5.3
101.02447	36.4
109.07309	4.6
113.02473	24.4
119.03542	10.5
125.02459	16.4
143.03548	8.8
161.04497	8.5
224.62135	5.3
235.08220	16.9
253.09308	6.9
253.45102	4.7
277.21777	100.0
278.22040	11.6
304.40048	4.9
397.13510	89.1
415.14642	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.4
58.00592	2.0
59.01384	41.1
61.98818	1.8
63.77387	0.5
69.03444	2.2
71.01388	29.1
72.99319	3.5
73.02952	5.9
75.00879	1.1
81.03458	2.0
83.01390	3.8
85.02959	6.1
86.00110	0.6
87.00876	7.0
89.02454	32.4
91.04035	0.6
91.76338	0.5
95.01385	2.9
95.28970	0.6
97.02975	5.4
99.00873	2.0
101.02451	25.5
111.04533	1.0
113.01725	0.9
113.02463	12.2
119.03513	11.1
121.02958	0.9
125.02455	11.5
127.04073	0.6
131.03526	1.4
139.04129	0.6
143.03520	4.7
149.04617	0.7
161.04602	4.9
162.04872	0.5
167.03462	0.8
169.05072	0.7
179.05635	5.1
185.04559	0.9
217.07263	0.9
221.06708	2.4
223.45476	0.7
235.08258	12.6
236.08490	0.6
253.09291	2.5
254.03748	0.6
263.07751	1.7
277.21738	80.8
278.22073	9.7
287.07800	3.6
305.08798	3.6
323.09943	1.0
361.11520	0.8
379.12305	1.2
397.13531	100.0
398.13907	8.8
415.14587	38.0
416.15045	4.0
436.58090	0.7
476.56604	0.6
675.36566	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	718.366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
57.03453	1.0
58.00588	1.9
59.01385	31.2
60.01696	1.0
61.98833	6.3
69.03456	1.8
71.01389	30.0
72.99306	2.8
73.02943	6.3
81.03450	1.4
82.11781	0.7
82.28667	1.0
83.01394	4.2
85.02950	6.0
87.00881	7.3
89.02453	29.0
90.02763	0.7
95.01407	2.9
97.02962	4.1
98.22514	2.2
99.00881	2.0
101.02448	26.5
110.77141	0.8
113.02455	11.7
119.03519	8.7
125.02461	11.7
131.03491	1.1
133.05087	1.0
139.03979	0.8
143.03493	5.6
161.04549	5.8
167.03392	0.9
179.05597	5.5
221.06665	1.7
228.82007	1.0
235.08214	12.4
241.23199	0.9
242.96973	0.8
253.09303	2.1
263.07663	1.3
277.21735	81.4
278.22098	8.7
287.07840	2.4
305.08896	2.8
323.09802	1.1
397.13525	100.0
398.13824	9.7
415.14578	34.7
415.20239	1.3
416.14920	3.1
675.35406	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92144	6.1
56.77705	6.8
59.01375	16.4
61.35382	6.4
69.31346	13.9
69.31759	25.9
71.01379	14.6
82.25428	5.2
85.02952	7.0
89.02446	9.0
101.02447	8.0
168.40189	6.7
196.06174	7.5
215.03308	8.9
270.19287	6.8
341.11047	30.3
377.08627	100.0
377.13092	11.5
378.09024	10.1
413.15131	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	719.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18287	6.0
54.92929	9.3
62.47569	6.4
69.33143	12.7
69.33553	41.0
89.02499	9.7
125.94934	7.7
149.78615	7.4
162.27179	8.3
200.63303	6.9
248.95129	7.0
289.96677	7.1
341.10849	20.8
376.12439	8.3
377.08530	100.0
378.08765	10.3
466.60211	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	719.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79348	2.0
54.84104	2.2
59.01384	16.4
61.98840	2.7
62.70994	2.0
70.96392	4.5
71.01387	2.6
74.81966	2.0
82.02984	4.5
85.02918	4.2
93.03476	2.4
96.96043	4.3
104.86072	2.1
110.02475	2.9
113.02470	6.2
119.05045	3.3
120.04539	2.5
133.95964	2.7
135.04553	4.5
136.07607	2.9
145.02956	3.9
148.04083	21.7
149.04810	10.2
150.05615	21.1
160.04097	5.6
161.02464	3.5
161.04842	10.1
162.05533	3.2
163.02832	3.8
164.03558	5.6
173.03503	12.3
174.04370	16.5
175.05107	9.1
175.06436	4.4
187.06300	4.0
189.06717	17.2
190.07468	20.9
191.05626	4.0
191.08267	4.1
201.07866	2.5
214.10957	2.2
217.09874	3.6
231.07761	19.5
232.08498	27.2
233.09163	7.6
241.09978	3.0
242.08173	4.4
243.07820	7.0
244.08270	10.7
244.40663	2.5
245.09296	3.8
283.02573	2.5
285.08899	3.3
286.09644	7.0
297.12463	3.2
304.10669	3.2
305.06201	2.5
311.03448	2.4
343.78665	2.3
357.14380	6.9
379.90164	2.6
438.50861	2.2
440.18326	27.4
441.19006	2.9
449.16211	4.1
451.18433	3.5
452.18124	7.9
467.16949	6.2
470.19424	4.8
494.19556	13.6
495.18118	7.3
512.20392	100.0
513.20673	17.7
554.89532	2.5
603.24902	4.1
657.25775	4.7
675.27002	36.3
676.27100	6.6
709.33691	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	719.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71917	3.0
59.01389	19.7
61.98819	9.6
69.19919	29.2
71.01384	13.5
71.46246	3.2
73.02976	3.9
73.98409	3.0
85.02952	7.0
87.00879	5.0
89.02452	6.2
93.03464	4.5
96.96021	15.0
101.02452	7.9
113.02473	14.3
120.04498	3.4
133.02940	4.2
135.04520	3.9
145.02937	6.2
148.04074	26.1
149.04826	7.2
150.05652	20.3
161.02493	6.4
161.04872	7.6
163.04013	4.2
163.11906	3.4
164.03564	9.4
173.03526	6.9
174.04381	18.9
175.05070	5.2
179.03482	4.0
187.06398	4.1
189.06746	14.6
190.07501	22.9
191.05618	7.8
191.54671	4.0
194.70644	3.0
202.08861	4.2
211.07614	4.0
214.10962	4.0
217.09851	4.0
231.07632	18.8
232.08537	34.5
233.09103	7.8
242.08186	7.0
244.08339	9.4
244.10094	2.9
255.03008	4.3
285.08759	3.8
286.09610	5.7
330.63535	3.1
357.14587	10.0
369.12064	3.0
382.14072	4.0
387.21783	3.6
440.18433	24.9
441.18829	4.5
452.18378	6.2
467.17096	9.2
494.19562	13.7
495.18417	7.2
512.20422	100.0
513.20605	18.0
657.24945	6.0
675.26727	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	11.7
61.98839	100.0
66.49068	9.7
69.51778	10.0
71.01438	10.4
78.91889	11.1
82.42426	8.4
96.70512	8.8
102.99524	12.4
109.06573	19.6
110.51745	8.2
131.52426	9.3
171.10258	20.6
200.04131	8.6
205.38593	9.8
207.10287	60.4
221.11844	31.3
225.11342	35.7
239.12863	54.1
250.45786	9.6
268.76157	8.9
461.20239	9.4
610.54950	10.4
641.22620	19.3
665.31958	23.1
683.32458	40.2
684.31317	13.4
719.29883	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46616	1.2
57.03445	1.6
59.01385	7.3
61.98837	46.7
69.03455	5.7
69.09086	1.0
69.09402	10.5
71.01383	7.6
71.05020	2.3
72.99306	1.2
73.02940	1.4
80.02672	1.1
81.03485	2.0
83.01385	1.2
83.05010	5.9
84.02162	1.3
84.95109	1.7
85.00438	2.2
85.02966	3.1
87.00881	3.0
89.02448	3.6
95.05042	2.1
96.95981	1.2
97.06613	1.2
99.51131	1.1
101.02459	4.4
109.06603	1.2
111.04555	1.2
113.02451	4.3
119.03542	1.1
123.08146	2.4
125.09730	2.5
128.84554	1.0
135.04582	1.2
137.02339	1.1
150.18530	1.0
151.11264	2.7
151.22047	1.1
153.12921	1.3
161.04585	3.0
161.09738	5.0
163.11246	5.2
165.12865	3.1
171.10291	1.8
179.10745	6.7
191.05775	1.2
191.10768	1.3
197.11836	62.0
197.75568	1.0
198.12204	5.0
208.61714	1.0
209.11842	65.5
210.12183	7.5
214.06335	1.7
225.11436	1.4
227.12885	4.9
229.08685	1.9
241.10878	3.2
253.09247	2.8
300.02866	1.4
317.59897	1.2
371.14984	1.4
477.20068	2.8
533.20209	1.5
539.32306	2.0
616.97876	1.1
687.32361	100.0
688.32703	25.1
696.42346	1.3
719.35150	16.7
720.34583	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	720.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37516	3.1
59.01387	29.4
61.98816	10.9
71.01389	69.8
72.99348	3.9
73.02937	7.4
78.95912	3.6
83.01395	4.1
85.00410	5.3
85.02915	3.5
87.00873	10.6
89.02452	34.1
97.02939	5.3
101.02453	21.1
113.02447	12.0
119.03491	6.1
125.02453	10.0
125.72685	2.9
143.03539	6.4
161.04614	4.7
179.05629	4.2
229.16418	3.7
235.08336	15.3
253.09346	5.3
257.23343	3.4
277.67731	3.0
279.23322	93.7
280.23593	11.7
287.07828	4.2
305.08643	4.2
305.48569	3.1
309.28607	3.4
385.53363	2.7
397.13489	100.0
398.13705	12.5
415.14566	39.3
527.88470	3.5
583.35114	3.3
649.23083	3.9
721.25153	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	720.5034
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03462	3.4
83.05029	10.2
85.18553	0.3
91.82142	0.3
114.93666	0.4
125.07194	0.7
128.20615	0.3
133.90637	0.4
184.50369	0.4
207.15021	1.0
224.17661	1.2
225.16083	9.3
226.16371	1.0
256.01822	0.3
309.21893	0.4
333.23132	0.5
333.67072	0.3
341.29193	0.4
367.27136	1.1
433.32019	1.1
450.34335	0.9
451.32901	3.9
452.33282	0.6
550.43732	1.0
593.44092	0.5
659.48755	1.3
677.49719	100.0
678.50018	26.2
720.50140	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.9
61.12371	1.4
71.01389	3.3
75.95436	1.3
85.02950	2.1
89.02435	2.4
93.51759	1.6
97.02976	4.7
98.21719	2.8
101.02458	5.2
101.72751	1.5
109.06604	17.4
142.02827	1.6
144.49977	1.4
161.04529	2.8
163.11298	9.5
201.35739	1.4
207.08319	3.2
207.10272	59.4
208.10617	3.5
225.11336	21.2
226.11696	2.6
229.34206	1.7
235.06041	1.6
235.08026	7.8
253.09367	15.0
277.21747	100.0
278.22086	11.7
358.14111	1.6
441.33353	1.7
443.19263	2.7
461.20355	5.4
721.41681	28.9
722.42157	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	721.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02659	0.5
52.92349	0.5
53.40471	0.5
55.01858	0.7
55.46215	0.5
57.03445	0.8
58.00591	0.5
59.01384	13.2
59.58685	0.5
64.27960	0.5
69.03442	0.7
70.05490	2.2
71.01084	0.5
71.01392	5.7
73.02946	1.2
80.02693	1.5
81.03462	3.3
83.01377	0.9
83.05039	3.4
85.02944	2.8
87.00834	0.9
89.02448	3.4
93.03437	0.9
95.01389	0.6
95.05035	0.7
97.02959	8.2
99.00849	0.9
101.02449	5.6
106.04260	0.6
107.05028	1.2
109.06599	34.6
110.03727	1.4
110.06938	1.4
113.02424	2.3
119.03535	0.8
119.87565	0.5
121.06598	2.1
125.09686	0.6
135.08167	4.3
136.05330	2.0
136.65298	0.5
142.02748	2.8
145.10217	1.3
161.04558	2.2
161.09685	2.3
163.11301	18.6
164.11626	1.5
165.59979	0.5
179.10835	0.9
181.12328	4.3
189.09225	3.6
207.10275	100.0
208.10626	6.3
209.11728	0.7
225.11330	33.5
226.11661	2.3
235.08238	3.8
243.12259	0.6
253.09320	13.2
277.21738	66.3
278.22083	7.7
299.15189	1.1
321.26663	0.5
423.32626	0.6
437.13095	0.6
441.33847	1.1
443.19336	4.2
456.04990	0.5
461.20221	13.1
462.20844	1.8
485.33212	0.8
526.72583	0.7
559.35687	0.7
703.40582	1.1
721.41669	31.5
722.42114	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	722.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43592	0.2
54.34066	0.2
59.01387	0.4
61.98835	100.0
69.23782	0.2
71.01379	0.3
71.30845	0.3
73.02991	0.2
78.91936	0.3
85.00437	0.2
85.02965	0.3
101.02473	0.3
102.11382	0.2
113.02477	0.6
125.09717	0.2
133.02977	0.4
135.04608	0.2
171.10368	0.2
179.03619	0.2
196.84479	0.2
207.10306	0.3
207.46541	0.2
208.10904	0.2
225.11392	0.3
249.35756	0.2
370.98358	0.2
411.80716	0.2
556.06122	0.2
662.13013	0.2
722.50427	0.2
737.84119	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95679	2.7
59.01370	13.2
61.98837	100.0
62.24038	2.6
63.71030	2.8
67.22237	2.4
70.32806	9.2
71.01392	13.9
85.02953	8.4
88.98804	18.6
89.02441	8.0
95.05025	4.2
97.02950	6.1
101.02442	8.0
109.06602	26.2
113.02457	20.0
114.43723	2.9
119.03490	5.5
125.09715	5.0
163.11328	15.1
171.10316	5.8
179.10721	4.9
181.12308	4.0
186.06856	4.1
187.09770	3.0
207.10284	63.4
208.10532	3.7
209.11874	27.4
214.06432	4.9
223.09825	21.3
225.11336	89.8
226.11592	6.6
226.35907	3.8
227.12849	6.2
229.08696	4.6
235.08101	9.5
253.09296	10.9
397.20340	4.1
415.21320	8.6
433.22162	3.6
443.19211	5.9
459.19162	3.3
461.20395	28.8
520.75677	3.0
546.84924	3.6
623.30878	6.6
625.28632	11.0
633.28796	11.9
651.30151	78.5
652.30658	17.0
669.31354	67.0
670.31677	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	723.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34717	0.9
56.50922	0.7
56.61254	0.8
58.02975	7.7
59.01377	6.4
68.13136	0.7
70.02985	5.7
70.70243	1.1
70.70592	1.7
71.01398	1.2
72.00920	1.9
72.04549	1.1
73.55394	0.7
74.02480	37.3
96.96032	0.8
98.02501	8.8
108.71931	0.9
113.02467	1.6
116.03566	9.3
116.05061	13.5
117.05418	1.0
117.70072	0.8
119.05028	1.7
130.06691	1.5
133.02910	0.8
142.06633	3.3
145.02966	0.9
147.04535	13.9
159.09358	3.9
161.02458	2.0
165.05595	12.5
168.96977	0.8
186.05544	1.2
186.68817	0.8
201.10371	3.7
203.03381	1.0
203.08269	38.9
204.08618	3.0
207.06636	7.1
245.09320	100.0
246.09644	9.1
698.71619	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66952	1.4
55.21671	1.5
58.57688	1.5
59.01387	7.3
61.98834	100.0
65.43521	1.4
69.03471	1.6
71.01382	7.4
71.32504	1.9
72.99326	2.5
73.02950	3.0
82.37125	1.5
82.95432	14.4
85.02969	4.0
88.98824	1.8
89.02457	4.1
95.05012	2.2
96.95987	1.8
97.02938	3.6
101.02447	5.4
109.06609	6.8
113.02421	7.3
133.02977	4.3
161.02458	2.1
161.04495	2.4
163.11340	4.7
181.12292	2.9
189.09140	1.9
191.05669	4.1
207.10269	19.1
208.10564	2.7
209.11823	34.7
210.12172	3.8
225.11328	51.8
226.11633	5.4
227.12912	13.8
235.08234	5.2
253.09254	6.2
417.22864	2.0
439.31467	1.7
440.13153	3.1
443.19305	5.1
461.20184	16.3
597.29041	1.5
631.23590	1.8
635.30499	6.0
651.30127	3.9
653.31641	13.3
654.31799	2.6
669.31476	3.1
671.32709	17.9
672.33185	3.4
682.43774	1.7
707.29999	2.1
725.30499	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	5.3
59.01384	30.2
61.98836	42.7
65.16213	3.7
65.87059	3.8
68.99827	11.3
69.03435	5.6
69.57082	21.8
71.01397	18.7
72.99306	4.5
85.02956	4.5
89.02467	8.3
95.01337	3.5
95.05000	4.4
97.03006	4.9
97.06602	6.2
101.02453	7.5
101.29803	4.6
110.03729	6.4
111.04526	28.5
111.08131	4.1
113.02462	4.9
125.09750	9.3
151.07588	4.2
151.11290	8.4
161.09758	14.3
167.10851	20.7
167.18079	3.9
171.10281	100.0
172.10703	4.4
177.09131	5.0
179.10805	25.3
195.10272	4.9
197.11877	20.6
205.08649	22.3
207.10300	6.5
213.11340	6.7
223.09767	81.1
225.11430	5.4
235.08223	8.3
239.78668	3.7
247.17038	7.1
253.09300	26.0
265.18121	97.8
266.18472	11.5
309.20905	4.8
412.66483	4.2
441.17651	6.9
459.19098	18.9
621.98053	3.7
653.36157	3.9
707.36676	19.0
708.36566	6.4
725.37665	37.4
726.38055	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95097	1.6
57.03448	2.0
59.01384	23.7
61.98830	8.7
65.32542	1.4
69.03441	3.1
69.10153	1.3
69.76571	6.1
69.76980	2.9
71.01387	11.9
71.05038	2.6
72.99273	1.5
73.02953	2.1
74.28073	1.4
74.98803	1.5
75.31359	1.4
80.02679	1.4
81.03472	4.6
83.05038	5.5
85.02958	4.5
87.00898	2.3
89.02458	6.3
95.05028	2.3
97.02978	7.5
97.06599	3.4
99.00876	2.0
101.02450	8.0
109.06607	42.6
110.03744	1.6
111.08171	8.7
111.22049	1.4
113.02477	5.5
121.06578	1.8
123.04546	5.4
123.08244	2.4
125.06097	1.6
125.09715	6.8
133.06651	3.3
135.08177	14.5
136.05261	2.1
141.09201	1.8
142.02655	1.6
151.07663	2.8
153.09302	2.9
155.10750	2.9
161.04669	3.5
161.09779	3.1
163.11293	21.6
169.08723	31.0
170.09001	2.1
171.10254	6.0
179.05696	2.2
179.07137	12.9
179.10753	2.1
181.12320	5.3
183.10246	3.9
189.09248	3.4
197.08250	4.0
197.11858	24.9
199.09712	2.8
207.10284	100.0
208.10617	9.6
209.11859	12.0
211.13452	2.0
225.11349	48.4
226.11700	4.3
227.12900	2.2
235.08269	6.2
235.17094	2.9
253.09299	27.9
263.16440	8.4
265.18311	2.5
281.17603	37.1
282.17941	4.5
291.19617	4.2
293.21307	1.7
299.15128	2.2
309.20746	16.0
310.21127	2.5
359.83008	1.6
391.18781	1.4
443.19360	5.5
461.20389	18.6
462.21164	3.3
530.38928	1.7
633.60187	1.8
708.36243	1.6
725.37628	52.5
726.37915	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	725.376
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87361	1.3
57.03434	2.2
57.14170	1.0
59.01088	1.6
59.01381	25.6
61.98833	6.0
69.03462	4.6
71.01381	14.5
73.02940	3.8
75.00861	1.3
80.02683	1.4
81.03468	4.9
83.01391	1.8
83.05038	4.8
85.02963	3.2
87.00898	1.7
88.54820	1.2
89.02458	8.5
95.05010	2.3
97.02993	6.6
97.06591	4.8
98.22609	2.2
99.00900	3.4
99.51563	1.2
101.02451	12.2
107.05045	3.9
109.06596	24.0
110.03760	1.9
111.08157	10.9
113.02475	5.5
117.07124	8.8
119.03513	2.2
121.06611	2.0
123.04530	9.0
123.08168	1.7
125.09736	3.9
133.06599	10.5
135.08179	38.8
136.08467	2.0
137.09727	1.8
142.02740	3.5
143.03452	1.4
143.07129	2.0
143.29190	1.0
149.06110	2.1
151.07671	2.6
151.11327	2.5
153.05630	2.3
153.09222	7.9
153.12912	1.6
155.10812	1.1
161.04576	4.5
161.06070	2.9
161.09727	3.2
163.11287	13.2
164.11626	1.2
167.10799	4.6
169.08734	11.0
169.12399	5.1
171.10284	4.0
171.91197	1.2
179.07149	66.7
179.10690	5.5
180.07521	4.5
181.08777	1.4
181.12398	3.8
183.10338	1.9
189.09204	1.9
195.10426	1.6
197.08203	13.4
197.11844	100.0
198.08560	1.3
198.12224	7.0
198.43646	1.2
199.13376	3.1
207.10266	59.5
208.10684	4.7
209.11827	7.4
211.13431	5.6
223.09871	1.2
225.11346	23.0
225.14757	1.6
226.11710	1.9
227.12953	2.7
235.08270	6.7
241.10825	2.2
247.17101	1.7
251.16624	1.8
253.09303	37.8
254.09814	1.9
263.16541	4.7
265.18124	7.6
273.18726	2.1
281.17581	23.0
282.18021	1.9
291.19705	20.3
292.20102	3.4
300.36160	1.0
309.20734	62.9
310.21182	7.9
433.17151	3.4
443.19467	3.1
461.20169	10.7
477.20032	1.7
489.28427	1.4
524.61310	1.2
707.36981	2.7
725.37585	93.0
726.37878	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	727.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11046	1.7
55.01884	1.9
57.03460	1.6
58.02987	3.5
59.01383	7.6
69.31885	1.7
70.02990	2.5
71.01388	6.4
71.06549	4.8
74.02481	19.8
76.49534	1.9
81.03461	3.9
83.01408	5.1
83.55136	2.3
85.02969	19.8
89.02439	3.0
93.03468	4.3
98.02508	3.0
99.04516	4.3
99.92603	4.9
101.02455	7.5
107.05025	1.7
109.02953	2.0
111.00900	15.6
113.02470	10.5
116.03563	5.0
116.05069	9.4
116.92871	36.4
117.03504	19.6
117.75975	1.8
117.92883	2.1
119.05044	78.7
120.05375	3.3
121.02988	2.5
127.04002	7.2
129.01955	44.4
130.02238	2.2
132.55327	2.2
133.06595	6.1
135.85834	1.8
145.02962	74.2
146.03316	5.0
155.74010	1.8
159.04480	3.1
159.09198	2.1
161.06097	12.6
163.04030	100.0
164.04372	5.7
169.05090	2.9
170.00475	2.1
171.03026	3.7
177.05606	8.2
187.04036	30.7
187.07677	5.3
203.08308	17.5
205.05060	19.1
211.07568	2.2
215.07138	4.9
217.04991	2.7
223.09409	2.0
231.10190	2.1
245.09334	33.2
246.09776	4.4
265.07224	10.8
273.06119	5.5
300.02676	2.5
307.08179	3.2
325.09323	16.5
327.21182	2.1
393.11902	3.4
437.10883	89.1
438.11197	10.5
598.60907	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	729.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13611	1.0
56.05607	0.9
57.18366	1.0
58.02981	2.9
59.01386	8.5
65.59723	1.2
67.01994	1.0
69.53558	5.7
70.02979	1.4
71.01394	6.5
72.00931	1.6
74.02483	18.9
83.01400	1.1
83.30395	1.0
85.02966	5.3
89.02477	5.6
92.63253	1.0
95.01385	1.3
98.02464	5.1
98.19604	1.1
98.21795	1.9
101.02464	3.6
113.02464	12.6
116.03571	4.2
116.05070	8.3
117.03468	14.6
119.03678	1.3
119.05042	25.9
120.05329	1.3
121.02941	1.2
131.04974	1.1
133.02950	2.3
133.06599	2.5
135.04570	2.5
142.06606	2.1
145.02971	100.0
146.03299	4.9
158.03802	1.1
159.04533	8.9
159.09357	1.3
161.02469	4.5
161.04712	1.7
161.06108	8.9
163.04018	28.4
164.04289	1.6
167.03465	1.3
173.06078	1.9
177.05608	1.9
179.03499	1.9
187.04025	59.1
188.04353	4.9
201.10341	1.2
203.03706	1.3
203.08281	13.9
204.08673	1.4
205.05118	8.6
211.07661	3.3
217.05055	4.3
227.03401	1.0
229.05226	1.2
235.06104	1.9
242.41408	1.1
245.09352	26.4
246.09729	2.4
260.64093	0.9
265.07147	6.0
307.08167	7.6
325.09314	91.4
326.09634	9.1
327.08884	1.2
341.08685	2.4
674.26257	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	729.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35873	3.1
59.01389	29.7
61.98840	40.0
70.26258	6.7
70.26650	6.1
70.64549	3.1
71.01396	17.8
73.02934	4.5
75.26279	3.2
78.26551	3.1
81.03448	7.3
83.05022	9.2
85.02978	8.2
89.02458	9.4
94.62569	3.4
96.95999	4.0
97.02971	12.1
99.00915	6.2
100.93586	3.6
101.02454	11.7
109.06609	56.8
113.02458	10.0
121.06573	4.8
125.09740	6.8
125.14974	3.8
135.08200	7.8
161.09747	4.6
163.11308	29.2
175.11310	4.3
178.02576	3.7
179.10901	3.6
181.12320	7.0
185.11806	3.5
187.09770	6.1
189.09148	4.2
197.11812	4.4
207.10298	100.0
208.10652	6.2
209.11890	21.7
211.13356	4.4
215.07065	5.4
225.11325	48.9
226.11797	4.1
229.08452	5.4
235.08200	6.1
246.84517	3.6
253.09311	10.7
274.52249	3.5
293.47723	3.2
329.63504	3.3
363.49081	3.3
371.18353	4.9
397.20007	6.4
415.21439	16.7
433.22156	7.8
461.20200	12.0
597.28674	7.6
607.27600	9.5
608.27948	3.8
623.30865	3.7
625.28534	20.0
626.29272	6.2
633.29419	7.8
651.30273	49.6
652.30469	14.0
669.31390	24.1
670.31158	6.8
685.41669	7.2
740.58771	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	729.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25437	12.4
61.98837	59.8
63.97088	10.9
65.46281	10.4
77.93168	11.3
78.24220	12.5
110.27220	12.8
135.08203	16.0
148.19998	11.1
167.93625	13.9
179.07158	75.6
197.08142	14.1
242.10669	12.7
253.09265	14.1
269.00433	13.1
277.21750	100.0
305.34723	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	729.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	1.4
69.32915	3.4
71.01391	1.0
72.99318	3.8
75.00881	100.0
76.01237	1.1
78.95962	0.5
84.52563	0.5
87.00900	0.5
89.72320	0.5
101.02445	0.8
103.24813	0.5
196.72404	0.5
211.15952	0.5
215.03680	0.5
255.23325	2.9
256.46429	0.6
298.49603	0.6
397.13724	5.6
398.14435	0.6
415.14630	1.1
697.26080	0.9
729.28625	1.0
758.39130	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65381	3.3
61.98833	22.6
70.05247	14.2
71.83733	3.8
96.70938	3.9
98.22476	4.2
130.18152	3.4
207.10353	7.7
225.59758	3.6
229.87051	3.5
357.39847	3.9
366.35153	3.6
576.91022	3.8
687.22406	5.2
730.23627	100.0
731.24078	33.8
742.93958	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	730.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12773	0.2
59.01375	0.2
61.98834	100.0
71.01383	0.2
96.39075	0.2
98.22517	0.4
103.21867	0.2
146.93359	0.1
202.57652	0.2
228.78209	0.2
228.80287	0.2
240.40517	0.2
260.71918	0.2
266.65710	0.2
467.99219	0.2
678.92334	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.258
Annotation	Ilicifoline
Peak:m/z	Relative Intensity
55.45405	1.7
59.01387	100.0
61.98832	7.7
62.30884	1.8
71.30725	3.4
130.51144	1.9
132.85449	1.7
137.74286	2.0
152.57970	2.3
215.19031	2.2
353.84784	1.9
471.68097	1.9
496.14288	3.0
521.15015	2.2
539.15961	3.9
553.17413	5.7
554.17987	2.8
597.19867	2.3
598.20764	9.9
612.86957	2.4
616.18127	4.6
630.19489	9.7
631.19336	2.4
671.23193	14.1
672.24170	5.3
731.25757	81.6
732.25958	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	731.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.5
60.99314	17.7
61.98835	54.4
65.44138	0.4
69.20422	2.1
69.20831	1.4
71.01375	0.8
74.33475	0.4
82.27957	0.4
82.95430	0.6
85.00433	0.5
85.02960	0.7
87.00875	1.9
88.00367	0.6
88.98811	100.0
89.02445	3.6
89.99152	1.0
96.42191	0.5
96.96009	2.9
101.02453	1.0
110.02513	0.9
113.02462	0.8
118.15071	0.4
146.90578	0.5
148.63905	0.4
191.05606	0.6
197.11876	0.9
207.10286	2.0
209.11887	2.0
215.07111	1.0
216.07605	0.5
225.11354	1.2
693.43018	2.2
694.43866	1.1
695.44116	0.7
699.32080	0.5
731.33600	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13353	5.1
59.01384	7.2
61.98835	100.0
68.99381	37.9
68.99799	15.0
71.01374	9.1
71.96782	5.2
78.95918	6.8
96.95989	5.3
109.06615	10.9
118.55042	5.2
163.11166	5.5
171.10278	11.8
207.10248	20.5
209.11810	5.9
225.11253	13.4
233.11842	7.4
251.12885	12.9
253.09381	7.2
258.32932	5.2
286.62445	4.8
461.20251	6.6
604.20343	5.8
633.29150	11.0
651.29956	17.0
677.31451	48.7
678.31812	15.3
695.32788	21.7
696.33087	7.9
731.30042	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	731.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55548	5.8
54.47626	6.3
59.01848	7.0
61.98822	49.3
62.99159	7.1
67.25158	6.4
67.28143	6.8
68.69274	5.8
70.19268	28.1
75.47540	6.5
87.42406	7.9
109.06658	6.1
166.68050	7.4
169.96448	7.2
207.10291	41.9
225.11296	14.4
235.08168	9.7
251.20198	100.0
252.20618	14.3
253.09296	9.8
259.97000	7.5
290.60934	7.1
499.39505	7.3
695.40228	27.2
696.40424	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	731.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	34.3
69.00667	100.0
78.65630	9.1
109.06615	30.4
163.11330	12.3
167.19270	10.8
196.67540	10.8
207.10303	89.6
225.11346	33.2
251.20160	79.9
298.22058	9.0
300.07452	9.9
370.08646	10.9
685.97058	10.2
695.40973	50.6
696.40051	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	731.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	22.5
61.98839	90.3
71.82102	13.5
83.05072	15.6
88.98830	22.7
91.25796	14.8
91.83124	14.1
98.22547	30.2
100.88486	17.6
144.20677	15.0
173.44351	14.0
181.08688	77.7
227.12852	20.2
240.01668	14.3
277.21707	100.0
402.29938	13.9
499.35434	16.1
502.43625	16.4
529.35980	17.5
561.81616	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	732.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01416	0.2
61.98832	100.0
62.98540	0.2
69.84081	0.7
108.37852	0.2
146.66061	0.2
177.45470	0.2
203.02831	0.2
234.90106	0.2
279.77225	0.2
313.50369	0.1
318.80566	0.2
341.47171	0.2
398.55225	0.2
418.16522	0.2
460.74692	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
61.91977	0.1
61.98837	100.0
71.01407	0.2
78.89241	0.1
93.21375	0.1
93.75031	0.1
94.77255	0.1
96.43191	0.1
96.96107	0.1
127.50932	0.1
131.66481	0.1
164.11746	0.1
173.00783	0.2
208.18097	0.1
260.28668	0.1
563.39587	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	733.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95308	2.9
57.02075	3.0
59.01388	6.5
61.98848	15.4
71.28055	3.0
78.91898	58.7
86.44286	2.7
87.36166	3.0
125.24197	3.3
224.37939	3.0
292.97223	2.9
455.17731	8.2
457.18970	14.7
458.19482	4.1
473.18240	6.0
474.15247	5.6
481.33459	3.5
485.18246	4.5
496.13925	10.4
497.14993	4.2
511.16495	11.5
512.13440	21.9
513.13739	8.9
526.14972	18.2
527.15509	16.3
528.16089	3.5
583.18988	7.2
597.19501	3.4
599.21344	8.9
600.20648	4.4
614.20319	100.0
615.20697	52.9
646.19366	9.6
733.23346	4.7
758.95886	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	733.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36871	2.6
59.01385	100.0
61.98832	2.5
63.65831	2.1
70.59529	6.8
125.01302	2.8
203.06618	3.0
232.76117	2.5
360.00037	2.5
600.22272	42.4
601.22650	15.7
632.20605	6.1
733.27203	30.2
734.27588	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	733.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	61.8
69.03458	2.1
71.01389	38.4
71.31268	4.4
72.99297	3.1
73.02952	53.7
81.03474	2.7
83.01396	14.2
85.02976	12.7
89.02467	5.4
93.03467	2.6
96.96040	3.2
97.02973	2.4
99.04526	100.0
100.04864	3.5
101.02457	35.0
113.02467	18.8
113.06105	11.7
117.03516	5.4
119.03526	3.3
119.05029	12.1
121.02936	2.5
121.71522	2.3
125.02459	6.9
133.02951	2.6
138.05624	3.2
141.05612	7.2
143.03506	8.1
145.02959	32.6
146.03232	2.1
150.03175	2.9
155.03481	4.7
159.04617	2.3
161.02492	5.2
161.04585	5.6
161.06082	4.2
163.04036	12.2
171.06688	3.5
174.28172	2.5
187.03996	10.0
203.03656	3.1
203.05682	8.4
205.05113	4.6
211.07640	2.9
325.09259	21.6
374.66910	2.5
423.13007	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	733.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
69.59930	23.9
69.60333	13.7
78.95959	6.1
98.22459	8.1
100.98975	7.1
109.06654	6.5
160.57990	6.5
171.10387	6.6
207.10303	16.2
224.42357	6.0
225.11421	11.7
235.13383	26.2
253.14461	13.5
427.44791	5.9
434.44504	6.5
443.24603	8.2
558.24597	6.0
653.31732	26.3
661.32068	9.8
679.33496	33.6
686.92853	7.2
697.34137	23.3
733.32977	7.0
758.90698	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	733.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
71.20481	35.7
77.57273	17.8
207.10275	82.5
221.63216	21.7
253.21695	100.0
426.56027	20.3
586.01501	21.2
611.14514	20.5
624.51575	19.7
697.41705	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04004	0.1
61.98834	100.0
62.98534	0.2
63.99253	0.2
64.53564	0.1
78.73590	0.1
80.96534	0.4
98.22516	0.3
173.08249	0.1
229.04994	0.1
236.73225	0.1
242.05624	0.1
353.01083	0.1
538.81451	0.1
623.33215	0.1
734.27716	0.4
735.29181	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33129	5.5
69.33529	25.2
79.95741	6.2
80.96524	47.8
94.98090	9.9
111.29073	4.0
122.97552	4.9
152.98560	4.3
164.98639	8.0
204.29282	3.9
225.00757	18.7
308.31137	4.3
522.35278	4.7
735.40082	100.0
736.40173	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	735.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
64.72221	13.7
68.61493	13.4
70.18201	42.3
99.34401	17.2
152.99664	19.9
197.06448	14.9
207.10204	50.1
237.55734	16.5
255.23288	100.0
314.61295	15.3
319.68338	17.4
512.23352	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	736.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.5
61.98834	100.0
62.98534	0.2
67.58434	0.1
68.96304	0.2
69.96255	0.1
71.01402	0.3
71.31565	0.2
80.96516	0.4
85.02973	0.3
88.98827	0.5
99.00881	0.2
113.02423	0.2
116.92960	0.2
121.02931	0.2
133.02997	0.2
138.01318	0.2
207.10408	0.2
209.11957	0.3
736.30249	0.2
737.29395	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	12.0
61.98836	3.9
68.61775	1.7
70.62290	5.5
71.01385	4.9
81.03448	2.1
81.75277	1.7
83.05075	2.3
89.02451	3.1
97.02960	5.3
101.02475	3.8
109.06609	33.1
110.06931	2.0
110.25935	2.0
121.06554	2.0
144.01003	1.8
149.36852	1.7
161.04546	1.9
161.43091	2.3
163.11322	16.8
181.12369	4.5
189.09274	2.8
201.83148	1.8
207.10291	100.0
208.10696	7.0
212.31801	1.8
225.11354	28.8
235.08266	2.6
249.18616	60.9
250.19017	7.6
253.09338	13.0
277.21701	2.8
443.19189	5.6
461.20551	14.4
462.20718	2.4
518.99872	2.3
564.74158	2.0
578.74622	1.8
606.20178	2.4
609.02075	2.1
675.37549	3.5
693.38782	27.6
694.38867	6.2
713.65143	2.5
736.22510	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	736.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48544	2.0
58.51771	2.1
59.01372	4.7
61.98833	5.3
69.06086	5.1
69.06477	19.3
71.01401	4.0
73.02939	2.4
89.02453	2.4
101.02443	5.3
102.54917	2.7
117.07175	2.5
117.79614	2.1
123.04540	4.5
133.06595	2.9
135.08212	16.6
153.84132	2.2
179.05676	4.0
179.07143	47.2
180.07515	2.4
197.08173	6.7
235.08202	3.5
253.09239	12.5
277.21741	100.0
278.21985	9.5
409.16782	2.1
538.84424	2.4
693.38782	13.8
693.49146	2.4
694.38849	4.5
737.40283	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	737.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54596	7.0
51.93909	7.0
52.59560	7.8
59.01381	18.4
61.98838	100.0
68.97958	48.6
68.98387	36.1
71.01388	8.9
95.84733	7.4
96.96020	22.2
98.21745	16.4
101.02446	8.4
101.26416	7.4
111.62041	7.5
113.02465	9.1
116.67191	7.2
120.66908	7.8
123.41962	7.4
191.58086	7.9
207.10298	34.3
209.11844	20.9
223.09807	12.1
225.11337	62.5
253.09315	13.4
287.45316	9.6
388.16034	9.4
461.20193	23.1
633.30035	12.2
651.30371	28.9
669.31165	29.0
670.31812	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	737.324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56969	0.7
57.03454	1.0
58.00594	1.4
59.01090	1.5
59.01384	24.5
71.01388	18.5
71.28912	1.0
72.99303	1.8
73.02928	1.5
76.11382	0.7
82.52034	0.7
83.01394	2.4
85.02965	6.1
85.06588	7.0
87.00896	1.9
89.02452	16.4
92.96988	0.7
95.01405	1.0
99.00884	1.3
101.02445	13.7
101.03869	0.8
113.02459	7.7
113.06104	2.4
115.07659	1.4
119.03511	7.3
119.05029	1.9
121.02970	3.1
127.07659	1.2
129.79059	0.7
131.03493	1.3
131.07155	37.3
132.07471	1.4
163.04056	1.6
173.08238	1.2
293.12454	100.0
294.12762	8.7
300.07520	0.7
308.52039	0.7
425.14395	1.0
443.19290	45.0
444.19669	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	737.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11999	3.7
55.92727	4.0
59.01381	48.8
61.98831	13.3
66.19318	4.5
71.01405	34.3
71.27839	4.8
73.02956	8.6
73.90234	4.1
85.02969	7.2
87.00883	3.9
89.02451	29.2
95.63207	3.7
97.02921	7.5
98.90348	5.0
101.02489	23.0
109.06625	22.5
113.02461	15.8
119.03520	11.9
125.02490	9.9
161.04616	4.6
163.11279	10.9
179.05598	6.0
197.44312	3.6
207.10281	61.2
208.10658	8.2
209.11926	5.5
225.11369	25.6
235.08246	17.6
253.09305	15.5
275.20172	12.3
279.23318	86.6
280.23666	7.0
293.21295	50.6
294.21564	9.4
299.55869	4.5
397.13486	100.0
398.13736	11.8
415.14456	33.2
416.15100	5.0
443.19156	4.9
461.20200	10.1
737.40863	18.3
738.41199	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	737.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99836	0.9
59.01386	10.8
61.98827	3.4
69.34673	6.6
70.70741	1.1
71.01389	3.8
73.02969	0.9
81.03462	3.8
83.01418	1.3
83.05031	3.5
85.02963	1.7
89.02473	3.1
97.02974	7.1
97.46104	0.9
98.22604	1.2
101.02478	6.0
101.30941	0.9
107.05029	1.4
109.06601	33.5
110.03712	1.4
110.06944	1.5
113.02448	2.6
119.03515	1.4
121.06596	1.8
121.10281	1.3
123.04530	1.4
135.08173	3.3
136.05353	1.1
142.02713	1.9
161.04588	2.3
161.09683	2.2
163.11298	18.3
171.10306	3.6
172.84151	1.0
175.20570	1.1
181.12367	3.8
189.09174	1.6
195.13971	5.8
207.10283	100.0
208.10602	8.2
209.11848	3.1
223.13358	3.3
225.11339	39.0
226.11711	2.1
235.08228	5.0
253.09288	17.0
275.20184	9.0
291.19608	1.5
293.21252	70.3
294.21579	8.9
439.31949	1.6
443.19211	4.0
461.20374	13.3
462.20691	2.3
696.66077	1.1
719.40002	1.9
737.41260	31.9
738.41736	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	737.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.8
61.51167	2.5
64.49814	2.8
66.89302	2.9
69.03457	9.3
70.39383	3.2
71.01373	6.8
71.31972	4.8
88.39564	3.1
88.55850	3.6
101.02421	5.5
113.02454	4.0
114.68974	3.1
143.50366	2.7
161.09689	3.9
179.10789	9.7
197.11839	56.7
197.13524	4.9
198.12210	4.3
243.96109	2.7
253.09422	4.4
277.21744	61.6
278.22046	6.7
604.14905	3.2
737.20233	5.5
737.41278	100.0
738.41486	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36569	2.0
53.08360	1.8
54.98729	2.3
59.01386	5.7
66.40405	2.0
69.03465	4.0
70.55312	4.4
71.01392	6.8
71.05036	2.4
101.02464	4.7
116.62883	1.9
140.83632	2.7
150.55446	2.6
151.11266	2.3
161.09709	2.8
165.83994	2.7
179.10820	5.0
197.11850	95.0
198.12173	6.4
224.24867	2.3
241.10945	3.0
241.21706	2.1
253.09247	4.8
277.21796	24.2
278.22134	5.3
357.20532	2.2
477.20016	2.6
486.15793	2.6
644.20734	2.4
652.56403	2.7
691.55762	2.5
737.41205	100.0
738.41589	29.4
753.93018	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	737.5189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41315	0.3
59.01383	18.9
62.89446	0.3
63.68654	0.3
79.36155	0.3
81.03465	5.3
83.05035	15.8
84.05357	0.4
108.04603	0.5
125.07242	0.8
126.05599	0.5
130.99974	0.3
143.08281	0.5
163.56891	0.3
181.50838	0.3
207.15074	1.0
224.17699	2.6
225.16100	15.2
226.16490	1.5
229.15860	0.5
242.18790	0.7
309.21970	0.8
324.26663	0.9
333.22986	1.0
341.29263	1.3
367.27109	1.9
433.31982	1.6
450.34531	1.5
451.32971	8.6
452.33243	1.4
550.43396	1.1
559.40094	0.8
659.49078	1.4
660.48633	0.7
677.49713	100.0
678.50018	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23342	1.1
59.01390	6.6
69.25307	4.8
69.25716	2.3
70.69818	0.9
72.99319	3.0
74.93707	0.9
94.21838	0.9
98.21776	2.1
116.05058	4.6
128.05098	1.3
130.06624	1.4
134.84546	1.0
142.06638	100.0
143.06975	5.0
158.06126	9.7
181.02654	1.0
186.05623	50.2
187.05946	3.1
203.12813	5.8
204.06673	69.6
204.13214	1.7
205.06972	5.0
218.09453	1.1
227.03537	6.9
245.13873	2.7
246.05264	2.1
246.07722	35.1
246.14398	1.8
247.07951	2.1
255.03035	9.4
284.03262	9.9
285.03867	4.6
336.75571	1.1
387.35544	1.1
410.51727	1.1
447.09366	18.7
448.09650	2.1
575.82251	1.1
763.22998	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45483	7.8
52.56051	7.1
56.88483	10.0
59.01384	30.5
61.98832	41.3
71.01382	18.0
71.31203	14.0
71.31622	13.1
78.95924	11.3
83.05058	14.2
96.41920	9.4
97.02953	12.9
100.54539	9.2
101.02451	8.4
106.70560	8.3
109.06577	59.6
113.02360	12.0
135.08188	30.2
142.02698	15.7
161.09782	8.6
163.11293	18.8
189.12856	16.1
189.54526	8.7
205.12404	11.5
207.10310	100.0
209.11816	15.3
225.11537	42.2
225.13345	9.4
233.11874	48.8
251.12962	35.9
253.09389	10.0
279.23245	41.2
309.69073	8.3
423.21838	11.7
441.22717	24.2
459.23541	9.9
487.21887	9.4
633.29114	20.0
651.29956	38.3
659.30817	13.1
677.31763	72.3
678.31775	22.6
695.32434	36.7
696.32147	11.7
738.50507	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	738.356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44463	0.1
59.01381	0.5
59.79147	0.1
60.38261	0.1
61.98833	100.0
62.98531	0.2
70.93134	0.2
70.95524	0.1
71.01396	0.3
75.54298	0.1
78.95945	0.1
89.02456	0.2
113.02449	0.1
155.16617	0.1
163.11325	0.1
191.14917	0.1
207.10342	0.2
208.10672	0.2
209.11842	1.1
227.12981	0.2
253.09335	0.2
277.21899	0.2
278.22290	0.1
279.23364	0.4
293.21182	0.7
294.21439	0.1
309.79898	0.1
313.53009	0.1
399.14090	0.2
432.23969	0.1
677.24402	0.1
739.41272	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	738.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49049	0.1
53.81814	0.1
54.57064	0.1
59.01386	0.3
61.98834	100.0
62.98545	0.2
64.69368	0.1
69.61659	0.2
69.62071	0.3
71.01393	0.2
88.34554	0.1
101.02448	0.1
114.00451	0.1
154.72781	0.1
177.30214	0.1
209.11847	0.1
213.41492	0.1
234.44116	0.1
245.03003	0.1
261.40137	0.1
277.21945	0.2
293.21045	0.1
315.54672	0.1
399.14322	0.2
720.44025	0.1
725.44702	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	738.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	7.1
61.98820	8.1
69.47681	12.3
69.48093	19.2
89.02434	7.3
96.14584	4.7
98.21849	9.5
109.06603	28.4
163.01486	5.8
163.11302	19.2
207.10268	100.0
225.11392	30.9
251.20206	60.4
252.20518	8.5
253.09309	13.9
402.97253	5.3
437.07550	6.3
441.44122	5.2
461.20541	11.3
471.74792	5.4
642.67004	6.5
695.39862	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	738.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50408	2.9
59.01380	13.2
61.98805	5.5
71.01384	6.7
79.59457	2.7
80.02685	2.4
83.05041	4.8
83.60763	2.6
85.02951	3.1
89.02473	3.6
90.51780	2.6
97.18270	3.1
98.21776	10.7
101.02425	4.0
101.48350	2.6
113.02493	3.8
123.90898	2.6
137.38455	2.7
163.11301	4.2
171.10284	17.4
207.10274	7.4
209.11832	100.0
210.12225	5.5
225.11333	10.0
227.12895	10.9
229.10127	4.2
249.18625	49.4
250.18947	5.2
253.09254	14.8
277.21750	17.3
278.22079	5.8
281.24863	4.8
397.13449	6.3
547.73798	3.1
550.79950	3.8
760.64832	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	739.2098
Annotation	Kaempferol-3-O-alpha-L-rhamnopyranosyl(1-2)-beta-D-glucopyranoside-7-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
59.01366	1.0
65.00327	0.9
69.85401	2.5
69.85749	0.9
70.71603	0.5
70.89285	0.5
74.02470	2.3
83.01349	0.7
85.02933	0.7
93.03466	1.7
96.96028	0.8
98.22427	0.7
99.00848	0.9
101.02458	0.6
107.01390	1.8
117.03471	0.8
120.01902	0.5
123.91415	0.5
135.00966	0.5
145.02975	0.6
151.00386	4.0
159.04559	0.9
178.99901	1.9
183.04486	3.0
185.06119	0.8
187.04079	1.2
191.05635	4.3
193.73730	0.6
193.77948	0.7
203.08272	1.8
207.74559	0.5
211.04065	2.6
227.03526	16.1
228.03850	1.3
229.05072	0.8
245.09373	4.8
255.03011	60.7
256.03384	6.4
257.04562	2.5
281.04688	1.0
283.02512	85.2
284.03241	65.8
285.04004	30.3
286.04407	2.5
413.08847	1.1
430.09186	9.2
431.09549	3.1
449.14539	0.8
593.15161	100.0
594.15472	18.9
739.20874	20.6
740.21417	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	17.0
61.98835	100.0
71.01373	11.2
75.00871	5.6
82.95415	16.5
83.53454	4.1
85.02943	4.7
88.98840	5.5
96.96027	5.2
97.06673	4.0
101.02449	6.2
109.06606	13.4
113.02493	7.4
121.06559	4.0
123.09415	4.1
125.09747	5.7
135.08173	5.8
163.11253	7.3
171.10298	10.6
179.07121	7.3
205.08585	4.0
207.10233	38.5
208.10651	5.2
209.11874	48.6
223.22266	4.2
225.11246	29.9
227.12834	20.0
228.78833	5.1
253.09245	16.6
305.17682	6.4
378.88220	4.7
443.19165	5.0
461.20108	10.6
554.96906	4.5
565.09253	4.8
635.30627	21.2
635.40112	4.8
653.31665	19.4
671.32922	23.9
695.32153	5.1
739.33856	17.8
740.34167	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	740.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64806	0.2
53.19128	0.3
59.01385	1.0
61.98833	100.0
63.39691	0.3
71.01403	0.4
71.30181	0.4
71.60238	0.3
72.98183	0.3
80.85032	0.3
101.25592	0.3
154.40561	0.3
171.41098	0.3
193.16777	0.3
209.11963	0.5
254.61827	0.3
294.21692	0.4
295.22870	0.5
305.20895	0.4
334.76041	0.3
467.67429	0.3
666.88983	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.8
69.07192	4.4
69.07610	7.3
71.01387	2.6
78.95912	2.0
81.03461	2.0
85.02930	1.9
87.00880	1.3
88.09158	1.2
88.47337	1.2
89.02431	2.8
97.02972	2.9
101.02465	3.3
109.06609	17.4
113.02417	1.7
121.06598	1.3
135.08183	2.6
142.02782	1.6
143.95503	1.3
161.04539	1.5
161.09732	1.5
163.11299	10.4
179.05704	1.3
181.12331	1.8
189.09244	2.4
207.10286	62.0
208.10683	6.0
209.11900	1.5
225.11325	19.5
235.08234	7.5
253.09360	11.0
253.21747	100.0
254.22063	10.9
417.33728	1.9
443.19193	5.3
461.20355	6.6
697.29633	1.6
697.41699	27.7
698.42316	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	740.4935
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82682	0.1
55.84450	0.1
59.01373	0.3
61.98835	100.0
62.98534	0.2
69.10137	0.9
79.44939	0.1
83.05061	0.1
86.26530	0.1
101.65631	0.1
225.16252	0.1
325.08411	0.1
678.50586	0.2
679.50677	0.1
680.50488	0.9
688.44391	0.1
740.49652	0.6
741.33948	0.2
741.49921	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81797	2.1
57.03433	3.0
58.86992	2.2
59.01389	19.3
60.99298	3.3
61.98835	100.0
63.29425	2.0
63.97367	2.5
71.01386	17.1
71.29990	3.7
72.99299	2.6
73.02958	4.3
75.00864	2.5
80.91676	5.3
82.95415	3.8
83.01408	2.6
85.02961	10.6
87.00889	4.6
88.98805	14.6
89.02454	7.6
95.01416	3.2
96.04562	3.3
96.96003	18.5
97.02952	5.3
99.00854	2.5
101.02454	13.8
109.06599	16.7
113.02462	13.2
119.03482	3.5
119.05069	3.3
133.02951	5.3
137.02504	2.5
143.03488	2.9
161.02454	3.4
161.04591	4.4
163.03886	2.5
163.11282	6.5
163.99130	2.2
169.56689	2.5
171.10286	51.0
178.02612	2.3
179.05661	2.0
185.11816	2.4
186.06853	4.8
187.07663	7.3
187.17178	3.2
189.09177	2.7
191.05641	3.0
197.06161	2.2
200.04704	3.0
207.10275	47.9
208.10666	2.7
209.11926	10.6
214.06313	4.5
215.07135	15.0
223.09756	7.0
225.11346	40.1
226.11710	3.6
227.12924	3.8
229.08733	4.7
235.08273	6.0
253.09105	9.9
311.12891	6.3
343.24918	4.8
353.13843	2.7
368.95877	2.3
387.14044	5.1
393.91086	2.6
407.19244	5.2
413.16028	2.5
443.19290	4.7
461.20206	12.2
462.20993	3.1
597.29144	9.0
615.30121	22.0
616.30573	4.0
625.28937	3.8
643.29565	4.4
651.30554	10.5
652.31458	4.2
669.31586	12.0
687.31873	3.7
697.39441	3.3
723.30872	3.7
741.29095	5.4
742.27332	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	742.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.1
90.01366	4.2
109.06610	9.4
130.30859	4.5
139.47267	4.2
152.72012	4.8
163.11391	9.6
175.50699	4.4
183.57333	4.9
207.10295	46.9
225.11299	11.5
235.08237	13.4
253.09305	13.5
255.23312	100.0
256.23569	14.0
318.04202	4.7
389.87894	5.8
461.20206	5.2
681.55078	5.4
699.43121	35.3
700.43628	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	743.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99332	2.1
61.50274	2.0
61.98837	21.0
65.37096	2.0
70.81268	3.1
70.81615	4.6
71.81362	1.9
88.98783	3.3
128.19859	2.1
180.90659	1.9
208.93408	2.1
221.00137	2.3
225.06500	2.3
301.56238	2.6
354.22830	2.4
361.71472	2.3
449.16867	2.3
519.16681	6.5
605.20679	7.3
606.21301	3.2
665.22644	25.4
666.22656	7.2
679.24017	5.6
680.25336	5.6
711.26788	100.0
712.27106	31.7
743.29236	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	743.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10498	0.4
59.01391	0.6
60.99309	16.8
61.98824	2.4
70.28870	0.4
71.01397	0.5
85.00459	2.1
87.00887	3.1
88.00398	1.9
88.98811	100.0
89.02449	21.0
89.99163	1.1
122.17205	0.4
148.26180	0.4
150.12895	0.4
241.52499	0.4
255.23338	0.5
310.63748	0.4
310.70468	0.4
353.41403	0.4
397.13593	1.4
409.77246	0.4
460.60965	0.4
551.25464	0.5
562.87390	0.4
661.44281	0.6
680.97321	0.4
681.40912	0.4
763.32758	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55230	3.3
59.01374	21.9
61.98835	66.2
71.01393	13.3
72.99305	7.5
73.02948	3.9
75.00886	28.8
80.02673	4.0
81.03475	3.6
83.05040	4.9
85.02950	5.9
96.96065	4.7
97.02969	11.0
98.22612	8.6
98.67085	3.1
99.04549	3.1
101.02451	11.7
109.06603	40.3
113.02482	10.0
119.03452	4.7
123.04532	4.1
125.09720	10.4
132.92169	3.8
135.04520	5.1
135.08142	8.5
148.05414	4.0
161.02420	4.0
161.04587	6.7
163.11288	27.4
171.10289	4.2
179.10803	4.9
181.12343	5.3
185.11893	4.3
186.06927	5.2
201.09198	3.8
207.10272	100.0
208.10667	6.4
209.11845	14.9
215.07222	9.3
223.09676	5.2
225.11284	54.8
229.46736	4.4
253.09265	10.2
261.11182	3.7
263.13110	3.7
302.93484	3.5
397.20197	7.4
415.21469	20.6
415.56342	4.0
433.21765	4.1
443.19104	4.2
461.20236	8.8
480.12131	4.5
607.27789	12.8
608.27850	6.1
625.28894	20.0
633.28668	16.2
651.30273	60.1
652.30536	12.0
669.31189	38.4
670.31458	11.2
700.45557	4.3
759.67999	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	745.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02986	8.2
70.02983	6.4
72.00922	1.6
74.02483	43.6
76.19668	1.3
85.02948	1.8
90.20993	1.2
98.02486	9.6
98.21758	3.8
116.03572	11.6
116.05079	15.0
142.06641	5.1
145.02922	1.6
151.00409	1.1
156.03516	1.3
159.09332	3.2
163.03871	1.3
179.03700	1.4
201.10403	3.0
203.08275	36.7
204.08501	2.5
245.09328	100.0
246.09694	9.3
333.11084	1.4
453.78387	1.6
458.59351	1.2
507.45850	1.4
633.79230	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25040	0.7
59.01385	100.0
60.01723	1.5
61.98833	1.7
67.45148	0.9
70.17609	1.6
78.92043	0.8
103.00385	2.6
103.01505	68.7
127.93366	0.7
132.30898	0.7
140.80838	0.8
334.58154	0.8
349.41217	1.0
412.82495	0.9
481.15222	1.1
555.18738	4.7
556.19177	1.1
641.22400	1.8
659.23718	1.2
688.50507	0.9
701.24060	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02322	0.5
59.01382	100.0
60.01721	0.7
61.98837	17.4
70.72493	0.6
71.01391	1.5
71.30340	0.8
75.00879	1.8
78.36658	0.5
82.95452	1.0
84.95135	0.8
85.00439	3.1
85.02985	1.4
86.82732	0.6
88.98800	0.9
96.96007	3.9
97.02988	0.6
101.02475	1.0
103.00472	9.3
103.01500	67.5
109.06664	0.8
113.02464	0.9
119.03531	0.6
133.03020	1.6
135.04544	1.3
145.21576	0.5
148.05405	0.9
161.02484	0.8
179.03577	0.6
185.66605	0.5
196.37704	0.5
200.04727	0.6
207.10361	1.6
209.11906	1.1
215.07216	1.7
225.11372	1.0
229.08842	0.7
253.09428	0.6
328.22449	0.7
467.21063	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	12.5
60.53793	9.1
61.98831	93.0
78.95895	12.1
81.38887	8.9
86.17690	10.7
91.66113	10.1
92.92816	13.3
98.21630	17.7
135.08151	15.4
136.41370	9.7
138.31471	9.8
179.07074	62.2
190.39142	10.9
191.88472	11.8
197.08336	20.1
229.09479	12.5
253.09288	34.9
255.23415	11.8
279.23328	10.6
293.21225	100.0
709.38086	15.9
745.37109	11.9
745.50336	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	746.325
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44685	0.3
59.01372	2.0
61.98834	100.0
67.38340	0.3
70.55165	0.3
70.55508	1.0
72.83100	0.3
79.11755	0.2
79.64811	0.3
94.19315	0.3
103.01521	1.3
113.02477	0.3
133.02950	0.3
176.59019	0.3
234.88104	0.3
237.13107	0.3
457.02081	0.3
716.59155	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19563	3.5
57.57909	3.5
61.98814	6.7
66.43150	3.9
73.04087	17.7
74.02457	5.4
81.07081	3.5
83.37009	3.6
84.00929	4.2
85.06590	34.8
98.22530	10.5
118.05590	3.2
126.09303	4.6
129.10341	23.1
130.08765	62.6
131.07150	59.1
136.24162	3.6
139.08748	11.4
141.10321	4.0
143.11885	24.0
151.08739	10.1
152.07195	6.4
155.08273	14.8
168.11441	9.4
169.09882	21.2
170.08214	11.1
182.08282	3.9
185.11853	4.3
186.12540	7.8
187.10887	29.6
207.15004	17.4
208.13376	4.2
224.17676	15.2
225.16032	5.8
226.14406	4.7
242.16547	4.0
242.18689	27.0
243.17131	11.0
244.13214	3.7
256.20386	9.8
268.16882	5.0
281.19931	7.6
282.18195	11.3
283.16638	5.2
294.18253	4.5
299.21051	6.1
300.19247	9.4
309.25418	4.5
338.24493	7.1
356.25565	47.3
413.22092	4.4
413.27390	17.2
425.27509	6.4
453.27246	12.3
483.28073	6.3
509.33386	10.5
527.34442	48.0
528.34613	8.0
578.35608	44.0
579.36108	6.0
596.36774	11.4
680.42603	36.6
681.42810	6.2
710.43378	100.0
711.43683	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	747.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.98816	2.2
84.70437	1.4
98.21783	2.5
107.45025	1.6
109.76418	1.5
131.42255	1.6
185.07298	1.5
241.35188	1.6
274.42874	1.7
379.22165	1.7
455.17352	4.4
457.35080	2.0
473.18469	4.2
496.13617	2.8
497.31882	1.8
512.13330	9.4
513.13538	3.0
526.14740	12.1
527.14996	3.7
600.19958	1.7
601.19751	3.4
614.20355	66.9
615.20514	22.9
646.19116	12.0
647.19147	2.4
683.07813	2.2
687.23206	4.8
688.23083	2.0
747.25372	44.1
748.25671	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	749.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	1.1
58.00613	0.9
59.01385	9.7
61.98836	2.3
69.44043	5.5
71.01382	8.5
72.99286	1.0
73.02973	1.2
76.10445	0.7
80.03305	0.7
83.01373	1.3
85.02970	4.7
87.00899	1.2
88.77212	0.8
89.02463	4.8
93.03461	4.8
95.01410	2.1
96.96022	8.8
97.02998	1.1
98.22545	1.0
101.02457	3.3
109.02961	1.0
111.00904	1.0
113.02465	11.5
114.02782	1.8
117.03477	26.9
118.03848	1.1
119.03625	1.0
119.05038	24.8
120.05357	0.9
120.88232	0.9
131.05043	2.3
133.03004	0.8
133.06612	4.3
139.00385	0.9
143.03540	0.9
143.05035	1.7
145.02969	100.0
146.03294	5.4
158.03796	1.2
159.04539	6.0
161.04691	1.4
161.06105	6.7
162.06403	0.8
163.04033	24.9
164.04427	1.3
173.06126	2.3
177.05632	2.2
179.05603	1.3
187.04018	46.8
188.04416	2.5
191.05627	3.0
191.07159	0.8
191.93130	0.8
192.05984	0.8
197.02055	0.9
205.05084	7.5
210.06920	1.5
211.07689	10.3
212.08061	2.3
217.05127	3.3
223.07619	1.7
227.03568	1.2
229.05150	1.1
231.13878	1.3
235.02777	0.8
235.05994	4.0
255.02986	2.2
265.06821	5.3
284.03409	1.8
285.04089	3.5
307.08200	4.5
325.09320	31.3
326.09637	2.2
327.08765	7.3
338.46213	0.8
369.09653	1.1
376.62708	1.0
423.12973	4.6
429.11853	2.1
489.14365	1.1
530.35156	1.0
749.19733	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	750.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69887	0.1
57.77314	0.1
58.96861	0.1
59.01380	0.1
59.13436	0.1
61.98833	100.0
62.98529	0.2
63.65958	0.1
71.01412	0.2
78.68554	0.1
78.91892	0.3
80.96516	0.2
86.85179	0.1
97.98020	0.1
99.92562	0.1
113.02471	0.1
113.42004	0.1
116.92877	0.3
207.10216	0.1
209.11923	0.1
225.11464	0.2
243.34358	0.1
301.14273	0.1
307.19540	0.1
382.22971	0.1
389.55414	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71206	1.7
58.40303	1.7
59.01367	4.0
61.98835	100.0
62.21030	1.9
66.62169	1.7
67.06580	2.0
69.18273	3.9
69.18658	15.7
69.52775	1.9
71.01360	4.0
77.31181	1.8
78.91899	8.0
80.91689	97.1
85.02956	2.8
109.10205	1.9
113.02377	3.0
114.31507	2.0
162.20294	1.6
207.10234	4.2
209.11725	2.9
249.09831	2.9
278.43375	2.0
411.17953	3.0
437.19302	2.5
455.20145	2.8
505.70688	2.4
607.27716	2.5
625.28693	5.0
647.26758	4.4
651.30048	18.8
652.30475	2.6
669.30969	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	751.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.8
59.01389	15.7
60.90449	1.1
61.98808	1.9
63.47523	1.3
67.05521	1.5
69.03452	1.4
71.01384	10.2
71.05018	1.4
73.02950	2.6
80.02673	2.2
81.03466	3.8
83.01389	4.6
83.05013	4.3
85.02972	3.8
87.00903	3.0
89.02454	5.2
89.08795	1.3
93.03444	1.5
95.01419	1.4
95.05059	2.5
97.02953	9.6
97.06601	5.0
98.47608	1.1
99.00888	3.0
101.02447	10.2
106.04283	1.9
107.05039	1.8
109.06607	41.8
110.03742	1.8
110.48301	1.2
113.02466	3.8
117.44788	1.3
121.06594	3.8
123.04542	3.9
123.08176	3.2
125.09765	6.9
135.04509	1.5
135.08156	6.1
136.05319	2.4
137.06123	1.5
137.09641	2.0
142.02753	2.7
143.03499	1.2
161.04575	2.6
161.09723	3.3
163.11296	29.6
164.11658	2.7
179.05643	1.7
179.10818	2.6
181.12323	6.8
185.09169	1.3
185.11845	7.8
189.09254	3.0
191.14410	4.7
197.11864	1.5
203.14520	1.7
207.10278	100.0
208.10609	9.7
209.11844	25.3
210.12186	1.7
223.13394	3.6
225.11339	47.0
226.11691	3.1
228.88615	1.6
235.08255	3.8
245.19060	9.5
246.19417	2.1
253.09319	13.9
263.20081	1.8
276.45755	1.4
289.18097	31.4
290.18356	3.6
291.19827	1.4
307.19174	31.1
308.19498	3.8
399.21964	3.5
414.28345	1.4
417.22754	3.0
443.19052	3.6
461.20251	14.7
461.26611	1.9
462.20663	1.9
479.28021	2.4
497.29221	3.5
498.29977	1.7
587.27570	1.6
635.31018	6.3
653.32013	2.8
715.37616	3.1
733.37842	6.7
734.38147	2.5
751.39197	31.5
752.39355	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	753.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.3
59.01379	10.4
59.90960	2.1
61.98800	3.6
68.99823	11.5
69.03452	4.1
69.93258	8.0
71.01388	18.5
72.99303	3.6
73.02959	3.6
74.25371	2.0
80.06429	1.8
83.01393	5.7
83.05050	4.1
85.02974	4.3
86.70695	2.1
87.00932	2.7
89.02460	4.4
90.09129	2.0
92.72090	2.1
95.05048	2.1
96.72164	1.9
97.03014	4.5
97.06615	2.2
99.00880	2.4
101.02467	7.0
109.06580	4.3
110.03754	7.3
111.00883	3.7
111.04527	23.6
111.08134	1.9
113.02460	5.6
123.04571	2.7
123.08148	2.8
125.06158	2.2
125.09731	5.9
135.08136	2.5
143.10901	2.3
151.11311	7.0
153.09209	4.1
161.04523	2.5
161.09738	12.1
167.10794	2.2
169.12296	2.7
171.10286	100.0
172.10593	5.5
177.09154	3.7
179.10812	16.2
183.13925	3.0
185.11890	5.3
195.10313	2.4
195.13919	7.8
197.11891	9.6
199.09853	4.1
205.08725	20.6
206.09071	2.3
207.10295	5.9
208.10837	2.6
213.11288	9.2
223.09792	69.3
223.13393	8.0
224.10139	3.8
224.13600	2.4
225.11365	4.4
235.08267	6.9
235.17050	5.6
241.10774	6.7
253.09288	21.9
275.20132	23.0
276.20547	3.4
293.21243	95.1
294.21661	12.9
407.19171	4.4
441.17599	3.7
444.65140	2.5
459.18594	14.1
477.20297	2.6
709.37927	2.6
735.39752	15.4
736.39648	4.5
753.40924	26.6
754.40857	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	753.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
57.03446	1.3
59.01384	12.3
61.98825	3.1
69.03461	2.2
69.10020	1.1
69.10421	5.5
71.01389	7.8
71.05016	1.3
72.99335	0.9
73.02930	1.4
75.00824	0.8
77.31950	0.8
80.02691	2.0
80.10970	0.7
81.03463	3.3
83.01411	1.0
83.05045	4.2
85.02953	2.9
87.00910	1.3
87.07503	0.7
89.02454	4.6
93.03478	0.8
95.01408	1.0
95.05049	1.1
97.02956	11.2
97.06575	1.3
98.22575	1.4
99.00888	2.2
101.02454	8.2
109.06602	38.4
110.03735	2.0
110.06937	1.7
111.08179	8.3
113.02487	3.3
119.03525	1.8
121.06614	2.9
123.04539	3.1
125.06057	1.1
125.09733	2.1
135.08134	3.2
136.05333	2.4
137.09773	1.0
142.02719	2.8
143.03551	1.2
145.05043	1.1
145.10255	1.2
153.12857	0.9
161.04581	3.1
161.09734	2.2
163.11302	20.7
164.11621	2.0
165.12885	1.9
165.78767	0.7
169.12433	3.8
171.10292	3.0
179.10818	1.6
181.12399	6.8
185.11865	1.0
188.43190	0.7
189.09224	3.1
193.12234	0.8
197.11850	37.3
198.12221	3.6
199.13391	2.5
207.10286	100.0
208.10593	8.1
209.11842	18.5
209.15320	1.3
210.12181	1.8
211.13464	5.3
218.97647	0.7
221.11815	0.8
223.09686	0.9
225.11337	38.9
226.11703	2.5
227.12914	2.5
235.08278	5.6
243.12410	0.8
245.19064	0.8
247.20650	1.7
251.16576	1.5
253.09328	19.8
254.09615	1.5
263.20230	1.7
265.18170	1.3
273.18576	1.3
281.14069	0.8
289.18124	4.2
291.19699	19.8
292.20062	2.0
293.21329	1.1
299.15073	0.9
307.19107	3.6
309.20740	53.0
310.21088	6.1
411.20270	0.8
443.19193	5.9
444.19388	1.3
461.20352	10.8
462.20734	1.3
499.30368	1.2
735.39819	1.1
740.72076	0.8
753.40613	33.2
754.40845	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	753.408
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29948	2.6
59.01390	18.4
61.98842	6.2
69.03442	5.2
69.92803	10.8
71.01398	8.8
75.00883	5.3
79.86053	2.7
85.02955	2.6
87.00877	3.7
89.02445	6.1
97.02959	7.8
98.21754	2.7
101.02454	9.5
105.32997	2.5
109.06602	30.3
111.08165	7.8
113.02483	3.7
116.92924	2.5
121.06597	3.5
123.04555	4.0
135.08195	3.7
142.02768	4.0
146.58562	2.8
161.04530	2.9
161.09714	5.9
163.11310	19.6
169.12286	3.3
171.10330	3.8
179.10779	4.5
183.13930	3.3
189.09268	3.4
197.11865	76.2
198.12221	5.6
199.13455	4.3
207.08304	5.1
207.10271	100.0
208.10645	6.0
209.11852	9.1
211.13460	5.4
221.11610	2.4
225.11348	37.5
226.11795	3.9
235.08221	7.9
253.09291	28.1
263.20215	4.1
291.19669	18.7
293.21295	10.1
309.20764	64.4
309.94293	2.4
310.21198	4.7
443.19623	3.2
461.20331	11.6
463.99310	3.1
652.82550	3.0
753.40710	77.2
754.41327	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.7
63.02388	1.2
65.00307	0.7
65.76759	0.4
67.23850	0.4
69.08553	4.7
77.24706	0.5
83.01399	1.1
91.35495	0.4
93.03475	0.5
107.01383	2.1
109.02935	0.6
132.02171	1.0
135.00896	1.4
145.02980	0.7
147.04564	0.6
151.00381	6.5
159.04555	0.8
161.83090	0.5
163.00354	2.0
167.04988	0.6
169.01344	0.7
178.99838	1.8
183.04507	1.4
185.02458	0.5
185.06117	0.6
187.03970	1.6
199.04176	0.6
201.05714	0.5
211.03996	2.5
212.04868	0.5
227.03522	41.3
228.03821	3.4
229.05011	2.5
231.47845	0.5
239.03503	1.0
241.05089	0.8
255.03000	73.0
256.03470	9.0
257.04584	3.3
260.29614	0.6
265.07004	0.7
283.02582	2.6
283.10910	0.6
284.03281	100.0
285.03955	31.1
285.98599	0.5
286.04431	2.1
309.04022	0.6
327.05057	0.6
422.82599	0.6
475.27570	0.5
518.51007	0.5
575.14124	1.9
755.20374	63.5
756.20673	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	755.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04465	0.7
59.01389	3.2
63.02399	0.7
65.00309	0.6
71.31261	1.0
77.09153	0.6
82.55300	0.6
83.01376	1.0
84.95119	0.5
85.02969	0.6
89.02419	1.4
93.03484	0.9
99.00779	0.7
101.02433	0.7
107.01374	1.3
111.64991	0.5
113.02448	2.2
117.03458	0.9
119.04992	1.3
121.02966	0.8
132.02249	0.7
133.02948	1.0
134.03719	0.6
134.93597	0.6
135.04448	0.6
135.56668	0.5
143.41592	0.6
145.02962	2.0
151.00414	3.6
161.02393	0.9
163.04044	0.8
169.01443	0.7
178.99811	1.2
181.51270	0.6
183.04506	2.6
187.04041	1.5
211.04010	2.4
220.07764	0.6
227.03510	15.6
228.03833	1.4
229.05063	1.4
255.02988	56.1
256.03455	5.9
257.04633	1.2
283.02490	76.0
284.03232	53.2
285.03992	30.1
286.04361	2.9
297.04254	0.7
307.64822	0.6
326.04196	0.6
362.97629	0.7
413.08749	1.3
429.13873	1.2
443.53412	0.6
446.08588	5.8
447.09134	1.9
493.19464	0.7
593.15149	100.0
594.15460	19.4
627.20477	0.6
635.16724	0.9
755.20337	7.0
756.20691	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	755.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	4.3
59.01380	29.3
61.98835	63.7
68.99570	34.8
69.03084	11.6
69.03506	17.1
71.01378	18.3
72.28400	2.2
72.99310	2.3
73.02959	3.7
80.91678	5.5
81.03436	6.8
82.95421	18.9
83.01388	3.6
83.05030	5.5
84.95097	2.7
85.00458	14.9
85.02939	7.0
87.00872	4.0
88.98805	8.5
89.02448	8.7
93.03474	4.8
95.05032	6.2
96.95972	3.3
97.02956	29.7
97.06593	7.3
99.00883	4.9
101.02448	10.6
103.01503	4.8
107.05025	4.2
109.06599	30.1
111.08152	2.2
111.97469	2.8
112.98575	34.3
113.02442	15.1
119.03485	3.2
121.06577	2.6
123.08131	6.0
125.09735	8.5
135.08131	3.7
136.05284	4.1
161.04570	3.3
163.11314	17.2
171.10307	4.9
175.71924	2.8
176.98201	3.1
179.14392	3.2
181.12402	4.6
185.11858	3.6
191.05495	2.7
205.12315	5.8
207.10283	51.7
208.10645	3.9
209.11803	5.0
215.07150	3.6
223.13412	100.0
224.13747	7.1
225.11307	22.1
226.11664	3.0
229.08740	3.7
235.08176	4.2
245.11635	2.6
249.11259	6.8
253.09261	9.1
267.12256	4.3
268.05807	3.4
356.55991	2.6
431.24478	4.9
461.20334	6.9
476.66315	3.0
503.21329	7.6
609.76239	2.6
639.29193	2.6
649.31891	3.0
651.30157	4.7
667.33173	4.4
669.31268	6.1
711.32166	94.8
712.32623	32.1
755.31268	37.1
756.31744	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	755.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	16.5
60.99284	3.1
61.98837	100.0
68.99579	10.9
69.22705	4.9
69.23103	19.5
71.01392	8.8
72.99335	4.0
80.91646	3.3
81.03474	4.1
82.95443	7.5
84.50803	2.5
85.00450	7.1
85.02955	3.9
87.00888	3.4
88.98826	10.3
89.02445	3.3
95.05025	3.4
96.96044	7.8
97.02953	3.1
101.02428	5.7
103.01525	4.4
109.06595	15.2
112.98592	9.4
113.02482	11.9
121.06565	2.6
133.02930	3.7
139.11473	3.1
161.06149	2.7
163.11337	10.0
171.10275	33.3
172.10594	3.4
185.11884	4.0
187.07605	2.9
191.05681	3.7
207.10300	33.3
208.10635	3.2
209.11845	8.6
214.50235	2.9
223.13503	5.7
225.11368	25.4
253.09299	7.4
443.19708	3.2
461.20374	8.9
465.31442	3.1
535.17401	3.0
590.69177	3.0
597.28821	6.6
598.29651	3.7
607.28394	3.2
615.30280	9.9
616.30475	4.9
625.28467	6.3
633.29565	5.7
643.29901	3.9
651.29828	19.5
669.31622	14.4
687.31738	3.5
699.05029	3.4
711.32391	10.6
723.30621	3.7
755.31824	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	756.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
61.38366	0.3
61.98836	100.0
65.92720	0.3
68.61060	0.2
71.04097	0.3
78.95939	0.3
85.00426	0.3
89.83971	0.3
93.45065	0.3
98.59963	0.3
106.90459	0.3
118.44534	0.3
125.39864	0.3
142.46954	0.3
152.99599	0.3
189.09033	0.3
210.27516	0.2
323.77054	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.98540	0.3
68.64384	0.2
72.47055	0.2
83.81606	0.2
111.84525	0.2
378.80466	0.2
383.90863	0.2
398.98669	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01346	7.2
61.98837	100.0
65.27707	6.6
71.32040	9.3
79.24426	6.8
109.06612	21.3
133.64175	8.3
163.11339	8.3
207.10284	85.5
210.99643	7.2
218.59985	6.4
225.11406	31.0
253.09363	23.8
255.23514	6.1
277.21701	79.4
278.22168	15.4
443.19193	10.9
461.20496	20.6
542.19922	7.0
711.08899	7.2
721.41150	40.1
722.41937	12.8
757.39740	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
70.85274	1.2
72.74374	0.5
72.74792	0.5
81.27618	0.5
84.66476	0.6
95.64175	0.5
109.06604	0.9
145.49324	0.5
204.73787	0.5
207.10371	1.9
277.21835	2.7
305.35892	0.5
356.25629	0.6
721.42078	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06467	0.2
59.01382	100.0
59.10463	0.3
60.01719	1.3
61.98843	2.0
75.00888	1.0
102.95694	0.4
103.00378	3.4
103.01499	66.4
104.01229	0.3
104.01840	0.8
117.82146	0.2
132.27318	0.3
199.35432	0.2
257.21814	0.3
277.21310	0.2
407.07999	0.3
536.01428	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.22448	0.6
60.01711	1.1
61.98838	20.3
75.00888	1.0
75.03136	0.7
75.52686	0.6
102.95734	1.9
103.00526	4.3
103.01508	67.1
153.74757	0.8
166.62698	0.6
172.60161	0.8
228.70367	0.9
242.33302	0.7
296.93546	0.7
340.06262	0.6
397.82114	0.6
743.94330	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78701	0.4
58.32425	0.3
59.37356	0.3
61.98838	100.0
69.99886	1.1
86.73289	0.4
92.52776	0.3
130.08789	0.6
131.07167	0.6
142.42819	0.4
183.71404	0.3
188.74080	0.3
204.79825	0.4
207.10330	0.8
277.21793	1.9
278.22397	0.4
322.24173	0.4
356.25882	1.4
412.87027	0.4
467.29346	0.5
533.16919	0.4
635.79449	0.4
694.44623	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30748	1.0
53.56960	1.0
55.01871	1.1
55.62072	1.0
57.03437	1.7
58.00600	1.9
58.02979	6.2
58.99606	1.5
59.01384	30.4
61.98833	2.5
66.03480	1.8
71.01385	21.4
72.00909	1.1
72.04559	0.9
72.47275	0.9
72.99328	1.0
73.02949	2.9
74.00684	1.7
74.02478	15.7
80.05072	2.8
83.01398	2.5
85.02961	7.2
86.02480	2.8
87.00906	2.4
89.02450	16.7
92.28384	1.2
95.01392	2.9
96.04562	11.0
97.04094	3.6
98.02513	1.1
98.21789	3.9
99.00893	2.4
99.05656	21.6
100.00430	2.1
100.08058	1.1
101.02454	16.1
108.04564	1.7
109.04085	2.2
110.02487	11.6
111.00887	2.9
111.02007	1.7
111.02745	1.1
113.02472	10.8
113.03593	2.2
116.01772	1.9
119.03509	8.0
119.05043	1.1
123.05659	14.8
123.41237	1.2
125.03612	7.1
126.04332	1.6
133.02980	2.3
133.04370	0.9
135.04543	2.1
135.11792	3.9
138.05627	2.6
141.06709	2.6
143.03575	1.0
143.04620	24.9
144.04897	1.3
146.06171	1.4
149.07231	2.3
160.00684	1.5
161.04553	1.6
165.06653	1.3
167.04741	1.0
167.08255	1.5
170.03342	16.7
179.03581	1.1
179.05681	2.0
193.06303	1.5
199.42537	1.0
203.03503	1.4
209.11879	2.9
228.11473	2.6
243.10680	2.5
246.12486	1.5
264.13531	5.3
272.10361	3.2
290.11484	8.8
344.13354	1.6
387.15930	1.7
388.12640	2.0
427.13895	2.2
439.13712	4.3
452.17215	1.3
470.18021	3.0
494.33243	1.1
496.15808	28.4
497.16064	4.3
514.16809	19.7
515.17010	2.5
534.22858	19.5
535.23102	3.7
551.16052	1.1
578.21698	5.6
579.21600	1.2
586.29681	1.2
697.96802	1.2
740.26996	8.1
741.27063	2.0
758.28168	100.0
759.28601	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54161	0.3
59.01382	0.4
60.20994	0.2
61.98833	100.0
63.89876	0.3
69.58350	1.4
71.01383	0.3
73.54388	0.2
73.98589	0.3
77.86924	0.3
85.33160	0.3
98.21899	0.3
128.85254	0.3
563.00165	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09990	0.4
61.98835	100.0
71.28151	0.4
71.28528	0.5
76.08805	0.4
116.45097	0.4
142.54161	0.3
219.87091	0.4
247.11392	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.2
61.98833	100.0
76.75030	0.2
78.95945	0.2
137.03458	0.1
219.60466	0.2
265.21765	0.2
366.72134	0.2
514.65936	0.2
672.75220	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07785	0.4
54.52900	0.3
59.01390	2.3
60.99311	0.4
61.98838	6.2
68.66631	0.4
71.01389	1.3
71.29126	0.5
71.29546	0.4
73.02948	1.3
74.16474	0.4
75.00877	1.2
85.02966	0.6
87.00890	0.6
88.98814	1.9
89.02435	0.8
96.96032	1.7
99.00888	0.8
99.92593	10.6
101.02482	0.5
113.02477	1.0
116.92874	100.0
117.01977	1.8
117.92886	6.9
133.03027	1.1
135.04552	0.4
147.25520	0.4
156.00661	0.4
161.02490	3.2
187.07620	0.5
200.04675	0.4
209.11729	0.7
214.06400	0.5
215.07140	1.4
229.08540	0.6
387.14145	0.6
440.13531	0.5
446.14578	1.3
447.63782	0.4
548.16742	1.0
736.09259	0.5
742.27954	0.7
760.29749	0.6
763.94989	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.8
60.99311	18.2
61.98828	2.6
66.55968	0.3
69.63369	1.4
71.01382	0.5
78.68867	0.3
80.96561	0.3
85.00466	0.4
87.00873	2.0
88.00394	0.9
88.98812	100.0
89.02450	6.0
89.99152	1.4
96.56300	0.3
101.02456	0.4
113.02473	0.5
137.58023	0.3
150.12883	0.3
179.07045	0.4
207.10214	0.8
211.93904	0.3
245.85826	0.3
341.23505	0.4
343.23801	0.4
515.12280	0.3
716.60950	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	7.0
59.99661	4.1
61.98832	100.0
70.60299	9.3
70.60623	5.8
86.16542	4.6
109.06595	6.2
124.31419	4.8
171.10326	6.5
180.67917	5.0
207.10289	22.6
209.11816	4.9
218.89110	5.2
225.11362	11.0
253.09366	9.9
261.14807	4.8
319.19644	4.6
461.20477	10.2
723.35498	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	759.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.9
61.98840	100.0
71.01353	9.5
71.77106	7.6
74.56760	6.9
89.69923	8.5
135.08194	19.4
179.07161	43.0
197.08202	10.4
227.19409	8.5
253.09241	11.0
289.18063	35.3
298.56189	8.2
299.21371	7.7
307.19214	18.0
356.49432	9.2
531.26025	8.7
544.07605	8.4
585.22894	10.0
612.86047	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	759.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	69.4
69.08310	31.6
69.08733	47.4
82.33215	7.7
98.21797	16.2
199.58936	8.4
207.21049	10.2
209.11823	58.9
227.12860	19.1
235.08134	11.6
253.09206	10.9
277.21707	100.0
310.86328	8.8
412.33118	8.6
426.43167	8.8
683.90491	10.8
693.19995	9.6
759.39771	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	759.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80396	7.2
59.01373	10.4
61.98840	100.0
62.35472	7.3
77.94602	7.1
78.16212	7.0
154.71472	8.2
209.11884	86.3
227.12840	20.3
273.94247	7.8
277.21750	50.0
482.56458	8.4
759.39624	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	760.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61604	0.2
60.95869	0.2
61.98835	100.0
62.98538	0.3
64.08761	0.2
78.99809	0.2
79.00464	0.2
80.96552	0.6
90.38403	0.2
98.22495	0.6
171.09160	0.2
188.63667	0.2
202.70749	0.2
761.38837	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02983	7.2
59.01386	14.9
69.03451	0.3
70.02988	6.4
71.01395	3.1
72.00916	2.1
72.04543	1.2
72.99300	0.3
73.02952	3.5
74.02482	42.8
75.02796	0.6
78.93774	0.2
83.01413	1.2
85.02973	0.7
89.02448	0.6
92.71990	0.3
95.01392	0.3
96.21856	0.3
98.02489	9.3
98.21802	0.6
101.02456	3.5
113.02452	2.2
116.03571	9.1
116.05074	15.6
117.03938	0.3
117.05436	0.8
119.03536	0.7
130.06653	1.5
142.06638	3.4
143.03522	0.5
145.03033	0.3
149.04593	0.7
159.09305	3.0
161.02487	0.5
161.04575	2.0
163.04005	0.3
164.31097	0.3
165.09251	0.5
183.09309	0.8
186.05620	1.1
186.18512	0.3
201.10350	3.4
203.08279	39.3
204.08630	2.6
221.06602	0.6
223.13354	0.5
228.76900	0.3
245.09331	100.0
246.09668	9.0
289.08420	0.4
341.08667	0.7
350.36627	0.3
385.18784	0.3
418.91748	0.3
427.19833	1.8
428.20056	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19757	11.2
59.01399	21.3
59.09635	10.7
59.38231	12.0
60.37818	11.4
61.98833	64.5
66.92281	11.5
71.01393	13.1
71.29607	22.4
85.00443	28.1
101.02441	12.1
109.06583	41.4
110.79788	11.1
160.77254	12.2
163.11264	26.4
167.10756	12.5
171.10268	14.1
201.77759	11.8
205.08783	18.4
207.10275	100.0
223.09766	33.1
225.11398	73.0
233.79024	13.9
253.09299	37.3
263.16605	79.8
265.18137	34.4
461.20349	38.2
738.83142	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	763.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.7
58.28624	1.0
59.01381	6.5
59.73701	1.0
60.99299	1.8
67.01902	6.7
68.35332	1.1
69.03468	1.7
69.35187	8.0
71.01386	12.3
73.02946	1.5
74.76707	1.0
81.03489	2.2
83.01402	2.3
83.05052	3.2
85.02961	19.8
87.00891	10.4
89.02477	2.4
93.03472	46.9
94.03791	1.6
95.01402	2.3
97.02943	1.2
98.21754	1.7
99.00910	1.7
99.04532	2.2
101.02464	5.7
106.40114	1.0
109.02968	2.2
111.00890	7.0
111.04544	5.5
113.02457	12.0
115.00404	2.9
117.03474	4.4
119.05038	21.9
120.05375	1.1
121.02995	1.8
127.04033	4.3
129.01959	11.5
133.02985	2.3
135.04558	3.8
137.02477	1.1
139.00429	1.4
139.84846	1.0
143.05042	1.6
145.02957	14.3
145.06618	1.4
147.04521	1.1
155.03488	1.7
158.03767	1.1
159.04541	2.3
161.02466	7.7
161.04581	1.8
163.04028	19.2
164.04454	1.2
173.04556	15.7
177.05589	1.7
179.03506	2.6
179.05486	1.2
187.04134	1.8
191.05627	100.0
192.06020	4.7
203.03630	1.3
210.06836	4.2
211.07669	85.4
212.08003	8.7
223.07654	3.3
227.07204	2.2
237.09262	6.8
239.07495	1.0
239.10536	1.5
253.08832	2.1
265.08856	8.6
279.06619	1.3
291.07285	8.1
309.07706	2.0
327.08829	5.4
337.09296	5.1
341.08701	2.0
358.45599	1.1
377.10886	1.4
425.14578	3.2
437.11044	1.7
524.65771	1.2
535.31097	1.2
551.16089	1.3
589.19202	9.6
590.19904	1.2
763.24573	54.3
764.24994	19.4
770.40161	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	763.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.8
57.03446	2.9
59.01387	8.1
60.99304	3.5
67.01894	11.9
69.03469	4.1
69.32880	8.1
71.01389	28.9
73.02955	3.3
73.93175	1.1
81.03475	4.7
83.01391	2.3
83.05048	2.9
85.02959	24.1
87.00887	23.1
89.02461	2.7
93.03470	90.3
94.03814	3.1
97.02956	1.3
98.22543	2.3
99.00895	3.2
99.04512	3.5
101.02476	7.4
108.02192	1.9
109.02998	2.8
111.00881	6.6
111.04535	11.7
113.02455	18.7
114.02832	1.3
115.00385	16.7
117.03486	6.5
119.03564	1.3
119.05036	19.1
121.03001	2.7
122.44432	1.3
123.04558	2.0
125.02475	1.6
127.04026	6.5
129.01967	19.0
131.05067	3.3
133.02963	4.0
133.06628	1.7
135.04553	3.5
137.02480	2.2
143.05045	9.3
145.02977	16.3
145.06609	5.1
147.04506	3.2
151.04047	1.3
153.01985	1.5
155.03525	4.1
157.01477	1.4
158.03769	3.9
159.03386	1.3
159.04507	6.6
161.02481	6.6
161.04588	3.4
161.05997	2.0
163.04022	16.9
171.03116	1.5
171.04536	2.7
173.04585	28.8
173.06036	2.3
177.05612	2.2
179.03546	4.6
179.05724	1.7
187.04071	3.8
187.07687	3.0
191.05632	89.0
192.06029	4.5
201.05664	1.4
203.03604	2.6
205.05116	1.6
210.06833	6.9
211.07672	83.7
212.07935	7.2
219.08238	1.4
223.07669	7.2
224.08235	1.3
227.07146	3.8
235.07755	3.4
237.09239	18.9
238.09753	3.1
239.10834	3.2
253.08733	8.1
257.08286	1.4
265.08768	29.3
266.09186	2.5
279.10925	2.8
283.09955	1.5
291.07330	3.7
309.07642	4.1
323.05096	1.5
325.09866	1.6
327.08691	13.7
328.09164	2.1
337.09457	3.5
341.08939	2.7
365.06854	1.6
369.09827	3.1
377.11069	3.6
393.12064	1.5
425.14606	2.1
429.11792	1.6
437.10962	2.5
545.20508	2.7
551.16290	4.0
589.19312	20.2
590.19830	4.5
601.16052	5.8
602.15845	2.0
763.24579	100.0
764.24994	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72240	0.4
57.03442	1.0
59.01381	2.4
60.02663	0.4
60.99296	0.6
64.68265	0.5
64.70451	0.4
67.01890	2.3
67.72266	0.4
69.03436	1.3
69.24129	4.1
71.01381	3.8
71.01723	0.6
75.09288	0.4
78.47207	0.4
81.03436	0.9
83.01342	0.6
83.05025	1.0
85.02470	0.8
85.02953	10.1
87.00887	4.4
89.02425	0.6
93.02881	1.0
93.03461	19.4
95.01390	0.8
97.02998	0.6
99.04509	1.2
101.02433	1.8
111.00907	2.2
111.04519	2.2
113.02425	2.5
117.03471	4.0
119.05029	17.6
121.02930	1.2
127.04032	2.7
129.01965	4.5
133.02946	1.0
135.04498	0.7
143.05014	0.6
145.02963	11.2
146.03209	0.7
147.04681	0.5
155.03517	1.2
159.04482	0.6
161.02446	1.6
161.06067	1.0
163.04019	17.0
163.05391	0.9
164.04301	1.0
171.03087	0.7
173.04562	9.6
179.03426	0.5
187.03995	1.6
191.05617	100.0
192.05997	3.9
205.05058	1.3
211.07639	4.7
212.07919	1.0
221.04570	0.6
223.07657	1.4
237.09346	1.1
253.78831	0.5
265.08737	1.0
280.58655	0.5
291.07266	2.8
327.08646	0.7
337.09360	10.9
338.09525	0.9
341.08990	0.9
425.14423	3.8
437.11047	1.2
439.12064	0.7
481.13666	0.5
545.20190	0.7
589.19318	1.1
601.15570	0.8
643.16138	0.5
669.72260	0.5
671.58099	0.6
704.64331	0.5
763.24591	23.5
764.24902	7.3
773.18066	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.0
56.33568	0.9
57.03440	1.1
59.01377	4.7
60.99298	1.2
67.01892	6.1
67.36685	0.7
69.03442	2.1
69.44263	4.5
71.01034	1.1
71.01392	13.2
73.02954	1.7
81.03458	2.4
83.01372	1.7
83.05014	2.0
85.02962	10.8
87.00888	12.5
93.03470	43.0
94.03835	1.6
95.01405	1.0
98.98994	0.8
99.00891	2.4
99.04523	2.0
101.02441	3.5
108.02184	0.8
109.02943	1.9
111.00873	2.4
111.04523	5.0
113.02475	8.1
115.00391	4.5
117.03470	2.6
119.05045	6.5
121.02959	1.2
127.04021	1.5
129.01935	6.6
131.04999	0.9
133.02951	2.2
133.06606	0.9
137.02475	1.8
139.00426	1.4
142.54942	0.7
143.05055	4.8
145.02956	5.1
145.06606	2.7
147.04523	0.7
150.03105	0.9
155.03531	2.7
158.03783	1.4
159.04471	2.2
161.02414	1.7
161.04614	1.0
163.04005	4.9
167.14447	1.0
168.97249	0.8
171.04463	1.4
173.04576	11.0
179.03645	1.2
187.04036	1.7
187.07709	1.1
191.05630	49.2
192.05934	2.1
205.04979	1.0
210.06897	5.8
211.07661	100.0
212.07973	9.9
212.78471	0.8
223.07658	2.9
227.07123	2.0
236.08179	1.0
237.09227	8.9
251.07077	1.0
253.08727	1.7
265.08701	10.0
266.09131	1.7
279.06699	1.1
279.10764	1.9
283.09830	1.2
291.07239	1.8
309.07715	2.8
323.05670	0.9
327.08765	4.8
328.09085	1.0
337.09451	1.2
369.10001	1.0
377.11038	1.2
439.16241	0.8
589.19305	8.1
590.19336	1.3
601.15564	1.8
763.24609	47.0
764.24884	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	763.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
60.85574	0.8
63.96262	1.5
69.03460	1.0
71.01083	0.9
71.01392	9.9
73.02939	1.5
78.98605	8.0
79.95750	15.2
80.96527	100.0
85.02952	3.3
87.00886	3.2
94.98104	21.5
95.01425	1.2
96.43198	0.9
96.96043	1.4
97.02950	2.6
98.22511	2.1
101.02463	3.8
106.98101	4.2
122.97592	5.5
125.02457	4.8
127.04004	1.7
134.97621	6.8
136.99161	2.0
148.99152	11.0
152.98662	11.5
164.98636	19.2
206.99742	4.9
207.10345	1.6
225.00769	34.2
226.01183	1.3
237.51897	0.8
255.23216	2.1
263.22571	0.8
445.41266	1.1
507.15265	4.5
526.31189	1.0
537.27441	1.6
574.92767	1.0
763.39471	72.3
764.39838	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	763.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24469	0.3
63.96249	0.5
70.16525	0.7
71.01382	2.9
72.71635	0.4
72.84937	0.4
73.02953	0.8
78.98590	2.2
79.95747	4.3
80.96526	28.6
83.70197	0.3
85.02973	1.1
87.00893	0.8
94.98095	5.9
96.96040	0.4
97.02959	0.5
97.54652	0.4
101.02469	1.0
106.98098	1.2
107.52020	0.4
115.98042	0.3
122.97602	1.3
125.02462	1.8
134.97620	2.0
148.99181	3.3
152.98672	2.7
164.98642	5.2
165.69160	0.4
165.99107	0.4
206.99728	1.6
225.00768	12.5
254.18407	0.4
255.23366	0.8
394.46082	0.4
507.15604	1.6
763.39471	100.0
764.39874	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01559	2.2
67.93826	1.8
71.01378	4.1
78.98629	2.5
79.95747	6.7
80.96518	32.8
89.40515	1.9
94.98106	7.9
96.35804	1.8
129.88599	1.9
134.97548	2.3
146.51213	1.7
152.98598	2.6
155.49780	1.9
164.98665	4.1
173.52283	2.1
176.40981	2.0
200.97246	1.9
225.00809	7.6
294.85458	1.8
402.95078	1.8
763.39484	100.0
764.39722	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55364	1.0
71.01392	5.9
71.13725	2.0
72.17328	1.0
73.67274	1.1
78.98598	5.0
79.79188	1.2
79.95753	9.4
80.96526	54.4
83.01320	1.0
85.02959	2.8
87.00907	1.9
94.98087	10.3
95.49220	0.9
97.03009	1.1
101.02452	1.9
106.98088	3.1
122.97612	2.4
125.02404	1.5
134.97644	2.5
136.99185	1.8
148.99150	4.3
151.13075	1.0
152.98657	4.5
158.27119	0.9
164.98610	9.7
206.99738	1.5
225.00757	13.0
507.15378	1.7
521.31012	1.1
610.52142	1.2
763.39423	100.0
764.39844	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59624	1.4
70.64267	4.4
71.01368	5.4
73.02946	1.7
74.33379	1.5
78.98584	4.4
79.95724	7.8
80.96517	52.8
83.56779	1.5
84.52567	1.4
87.00922	2.8
94.98093	12.5
101.02462	1.5
122.97590	2.0
125.02460	3.2
134.97600	4.0
148.99184	5.8
152.98637	3.8
164.98682	10.9
200.39352	1.4
206.99725	3.1
225.00751	19.1
278.30548	1.6
280.57455	1.5
285.83536	1.8
302.11191	1.6
540.24023	1.8
763.39435	100.0
764.39844	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49229	0.5
59.01382	1.1
59.58762	0.4
63.96232	1.4
69.03432	0.9
71.01382	10.7
71.13581	0.7
72.99300	0.6
73.02966	2.6
78.98593	8.6
79.95744	13.6
80.96522	100.0
81.03465	1.7
83.01397	0.7
85.02952	4.1
87.00882	3.7
90.78896	0.5
94.98090	22.7
96.96011	1.8
97.02971	2.1
99.00896	0.6
99.04527	0.6
99.94997	0.4
101.02458	3.9
102.69746	0.4
106.98100	5.0
109.06546	0.7
113.02461	0.5
115.93404	0.5
116.64560	0.4
122.97610	5.6
125.02464	5.8
127.04026	1.6
134.97578	8.0
136.99161	2.7
138.97079	0.5
146.97549	0.8
148.99150	10.2
152.98634	10.2
163.11287	0.6
164.98636	21.7
165.98918	0.6
167.00218	1.0
188.98615	0.8
206.99649	6.0
207.10318	1.4
225.00746	34.8
225.11372	0.5
226.01064	1.6
255.23341	2.5
406.12225	0.5
489.44266	0.5
507.15100	3.2
537.27362	2.5
763.39496	63.2
764.39838	16.3
764.53796	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65038	0.8
59.01366	1.2
61.98832	1.7
63.96241	2.1
71.01392	9.8
71.07352	1.3
71.07679	1.1
73.02954	2.2
78.98589	7.1
79.95742	18.8
80.96523	100.0
85.02961	3.8
85.21972	0.9
87.00890	2.2
94.98091	21.8
96.96007	1.4
97.02979	2.1
101.02470	2.3
106.98094	4.6
122.97614	4.2
125.02466	3.4
134.97577	8.1
136.60561	1.0
136.99121	1.4
148.99142	7.6
152.98615	7.4
164.98637	16.5
206.99773	3.6
207.10248	2.4
225.00754	24.6
226.01065	1.1
242.22194	1.1
255.23215	2.2
272.92642	1.0
459.50824	0.9
507.15527	2.8
524.61096	1.1
537.27075	2.0
564.00415	1.0
754.91217	1.0
763.39484	78.0
764.39880	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	764.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71539	0.3
59.01384	0.4
60.41975	0.4
61.98836	100.0
67.16801	0.3
94.98133	1.1
98.21796	0.6
103.36655	0.4
113.02449	0.6
116.92928	0.3
125.70849	0.4
133.11487	0.3
140.45882	0.3
191.05629	0.3
310.55103	0.3
645.06189	0.3
771.73676	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
69.15051	5.7
70.02624	6.4
71.04794	12.2
72.49650	5.4
74.54871	6.4
80.89459	6.0
103.15243	7.5
109.06586	17.9
163.11310	11.0
173.54787	5.7
207.10283	69.4
225.11290	26.1
253.09290	8.9
277.21811	100.0
292.27097	6.8
422.82336	7.8
428.89774	8.8
480.68695	7.1
667.52930	7.8
721.41284	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	764.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53213	3.1
58.98111	2.7
59.01382	14.5
61.98818	6.0
64.95743	3.0
70.56678	3.3
70.57001	7.7
71.01392	9.4
80.96532	6.4
81.03474	4.5
82.96213	3.1
83.86555	2.8
95.26429	2.7
97.02994	5.2
109.06610	38.7
135.08208	5.4
138.89236	3.1
163.11313	24.0
189.09248	5.1
194.28745	2.8
207.10277	100.0
207.12154	5.5
208.10651	7.6
225.11330	43.7
235.08157	5.1
253.09372	12.7
277.21765	81.4
278.22202	7.7
303.78583	3.2
461.20343	12.0
576.71753	3.7
721.41559	26.7
722.41895	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	765.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	17.8
67.01876	1.6
69.03459	2.6
69.62820	8.3
71.01386	17.7
72.99296	1.7
73.02940	2.7
83.01414	1.8
85.02972	8.6
87.00870	4.3
88.73779	1.5
89.02455	12.6
93.03473	17.7
94.03770	1.8
95.01375	3.0
97.02957	1.6
101.02464	8.9
109.02950	2.0
111.00933	3.1
113.02453	21.1
117.03469	18.5
118.03812	1.7
119.03604	3.4
119.05034	97.2
120.05360	6.7
121.02977	8.7
123.04549	2.3
129.01964	3.0
131.05026	3.8
131.68375	1.8
132.05809	7.0
133.02998	2.8
133.06619	26.7
134.03706	2.9
135.04515	6.4
143.05029	3.8
145.02962	100.0
145.06641	3.6
146.03232	8.0
146.69797	1.9
147.04543	3.1
158.03705	2.9
159.04494	11.8
161.02417	6.4
161.04597	5.8
161.06081	51.0
162.06427	4.1
163.04024	77.0
163.05411	3.8
164.04343	6.7
172.07585	1.8
173.06027	4.4
177.05563	7.0
179.03455	3.0
179.05623	6.5
187.04018	35.4
188.04373	3.3
191.05626	21.0
191.07149	2.7
192.06007	7.8
192.07480	1.5
192.70157	1.7
193.06276	3.7
203.03496	2.5
205.05066	49.5
206.05438	5.7
210.06830	3.6
211.07663	56.2
212.07994	7.6
217.04967	3.4
219.07826	1.7
223.07648	40.9
224.08060	5.6
227.07129	5.4
235.06052	21.2
235.07913	1.9
236.06453	2.2
237.09209	12.8
238.09593	1.8
239.10854	3.5
253.08704	2.4
265.06882	40.0
266.07593	4.5
283.09708	13.8
307.08295	2.8
309.07751	4.2
317.55759	1.7
325.09213	24.0
326.09714	2.2
327.08719	69.2
328.09152	8.8
341.09369	1.6
351.08331	2.0
355.11694	2.2
369.09827	38.2
370.10342	4.5
399.10855	22.8
400.11160	3.3
429.11951	58.1
430.12286	7.6
459.12677	2.5
489.14069	29.9
490.14487	5.3
502.11545	1.8
765.25836	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	765.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.9
60.99312	17.8
61.98833	1.3
84.46169	0.6
85.00449	0.5
87.00880	1.8
88.00407	1.8
88.98815	100.0
89.02457	14.0
89.99158	1.2
96.80104	0.5
98.22614	1.0
103.92049	0.6
104.72323	0.5
148.90991	0.6
207.10304	0.6
209.11913	0.9
230.29597	0.6
277.21786	0.8
289.18155	0.5
309.20639	1.2
505.49319	0.5
557.73706	0.6
631.30878	0.6
678.98938	0.6
765.25397	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	10.9
70.12572	3.7
71.01387	15.2
73.02946	2.8
83.01385	1.3
85.02952	7.0
87.00880	3.1
89.02467	6.9
93.03469	2.0
95.01384	2.8
96.96027	1.2
97.01608	1.0
97.02971	1.2
99.00819	1.1
101.02477	6.6
104.05076	2.1
106.06635	100.0
107.06982	3.8
108.08203	2.4
112.98196	1.2
113.02452	11.1
117.03512	1.5
118.06666	2.4
119.03487	1.6
119.05055	3.7
119.88704	1.0
125.02462	1.2
130.06631	1.2
131.03552	2.9
131.04616	0.9
132.04568	2.4
135.04546	1.1
145.02997	8.6
146.03244	1.2
146.06149	1.7
147.62878	1.3
148.29759	1.1
150.05614	75.4
151.05930	4.0
161.02466	2.2
161.04602	5.0
161.06044	1.9
163.04054	2.6
164.07172	11.1
165.07497	1.1
179.05627	1.4
179.20148	1.0
187.04062	2.8
191.05600	2.1
192.06627	8.6
194.04587	11.9
203.03699	1.3
211.07594	2.3
212.08107	1.4
221.06674	3.7
227.07133	4.3
231.53198	1.0
236.05626	4.0
262.38513	1.1
296.07654	2.2
325.09427	3.0
327.08856	1.1
338.08865	1.6
344.13708	1.3
354.11990	4.1
356.09732	6.9
398.10974	10.4
399.11368	1.6
423.12711	1.5
440.11902	3.2
500.14432	5.7
518.15155	86.6
519.15613	13.0
560.16156	1.5
637.42883	1.1
767.25531	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	766.351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75830	0.1
59.01383	0.8
60.23619	0.1
61.98835	100.0
62.98539	0.2
70.12787	0.5
71.01381	0.3
78.91911	0.2
78.95934	0.2
79.95747	0.2
82.95442	0.2
89.02465	0.2
95.76543	0.1
96.96027	1.6
96.96965	0.2
97.77069	0.2
101.02496	0.2
103.01546	0.3
113.02493	0.2
116.71224	0.1
116.92932	0.2
124.67221	0.1
133.01076	0.2
133.02983	0.2
161.02426	0.1
178.02351	0.2
185.11876	0.2
197.11696	0.2
207.10341	0.2
237.12025	0.1
294.22726	0.2
294.26218	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.6
61.88292	0.2
62.66272	0.2
67.03802	0.2
67.15331	0.2
69.79334	1.1
71.01383	1.8
73.02933	0.5
79.83660	0.2
83.01395	0.5
85.02952	1.5
87.00905	0.3
89.02440	0.7
91.05595	0.3
93.03458	1.0
95.01400	0.6
96.96026	0.4
101.02457	1.2
109.02967	0.3
111.22565	0.2
112.08273	0.2
113.02460	4.3
114.02794	0.4
117.03490	0.9
119.05037	100.0
120.05381	5.3
121.02966	64.4
122.03300	3.3
131.04999	0.3
131.07161	0.5
132.05905	0.4
133.06641	1.0
135.04546	0.4
143.03551	0.2
145.02957	5.3
159.04550	0.5
161.04608	0.7
161.06099	2.4
163.04019	79.6
164.04346	5.1
165.04564	0.2
173.06009	0.3
177.05586	0.5
179.03571	0.4
181.05077	14.6
182.05424	0.7
187.04012	1.4
191.07159	0.8
205.05017	2.1
223.06131	4.5
229.36830	0.3
235.06117	8.1
236.06505	0.4
253.07117	2.7
265.07187	6.4
266.07547	0.3
283.08298	3.7
293.12372	1.0
325.09283	8.5
326.09616	1.2
343.10443	0.6
439.12717	1.9
440.13086	0.5
596.72455	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.5
61.98822	0.9
69.19877	1.5
69.20287	0.7
71.01380	0.5
78.95916	4.5
79.78498	0.3
79.95741	4.1
89.03586	0.3
94.98099	0.5
96.96021	100.0
96.96914	5.5
104.77995	0.3
112.56288	0.2
120.78323	0.2
126.69667	0.2
163.11345	0.3
171.10266	0.3
197.11928	0.3
207.10275	0.3
228.48566	0.3
235.65547	0.2
307.04962	0.3
417.15820	0.7
445.15408	1.3
453.15860	0.4
471.17093	1.1
472.17761	0.3
487.16351	0.4
530.72839	0.3
578.38757	0.3
625.28949	0.4
651.30389	1.0
661.83868	0.3
663.23578	1.0
767.38818	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47730	2.5
58.02344	2.4
59.01381	13.1
61.98823	8.5
69.03453	3.1
69.90196	4.3
69.90600	5.5
71.01392	6.7
75.28144	2.6
83.05038	3.3
89.02438	4.7
97.02974	2.9
97.06596	3.4
101.02502	4.2
109.06587	5.7
116.92864	7.4
125.09740	6.7
137.09729	4.5
151.11345	4.6
153.35042	3.2
161.09726	4.1
163.11284	6.7
171.10390	2.8
179.10808	11.8
181.05898	3.0
185.11755	3.2
197.11838	83.9
198.12195	6.2
207.10326	14.3
208.10684	5.4
209.11836	8.8
223.09764	3.8
225.11398	10.2
245.19189	4.4
253.09312	9.3
289.18091	7.8
307.19214	6.1
456.56390	3.0
457.60617	3.3
461.20465	3.8
477.20264	3.8
669.31091	4.9
767.38647	100.0
768.38806	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.4
60.99308	16.0
61.99632	0.3
70.11198	0.2
71.01379	0.3
75.04191	0.2
83.05051	0.2
87.00879	0.7
88.00396	0.6
88.98809	100.0
89.02441	3.0
89.99136	1.4
96.97169	0.2
98.21751	0.4
99.16720	0.2
111.00923	0.2
113.02471	0.3
135.44893	0.2
677.49658	0.5
678.50848	0.3
686.16528	0.2
691.69751	0.2
744.49945	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.331
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06701	0.3
59.01373	1.0
61.98834	100.0
71.29895	0.3
75.07821	0.2
80.96505	0.3
84.95123	0.4
85.00464	0.5
85.02975	0.4
87.00919	0.4
88.98824	1.0
89.86470	0.2
96.96033	1.0
101.02467	0.4
113.02470	0.4
116.92876	0.6
133.03081	0.3
191.05621	0.3
207.10202	0.3
218.08253	0.2
288.39011	0.2
345.42947	0.2
471.12732	0.3
612.04095	0.3
646.96100	0.3
699.72247	0.3
792.70386	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.5
59.01381	35.5
61.82791	1.4
67.01890	1.4
69.03468	3.8
69.68456	7.7
71.01382	23.0
73.02956	15.0
74.91250	1.4
81.03477	3.1
81.03906	1.2
83.01389	2.9
83.05039	1.7
85.02956	55.0
87.00885	100.0
88.01229	2.1
93.03461	7.0
95.01398	19.2
97.02963	3.5
98.34454	1.3
99.00899	2.5
99.04529	4.0
101.02448	2.5
103.04026	7.6
104.30137	1.7
108.02222	1.6
109.02970	7.1
111.00891	8.3
113.02463	18.9
115.00399	12.9
121.02975	5.5
123.04602	1.9
125.02496	1.8
127.04011	15.0
129.01939	2.3
137.02457	3.7
139.00389	13.2
141.05582	1.8
145.05106	5.0
155.03500	3.0
157.01466	9.2
169.05089	4.3
171.03030	2.4
175.02493	41.0
199.02501	35.6
200.02910	2.1
217.03500	2.4
260.78009	1.4
285.06265	2.2
301.05911	1.7
303.07147	23.3
326.59555	1.5
345.08429	8.8
348.86502	1.6
363.53555	1.4
387.09384	10.2
405.10385	5.0
439.11823	1.5
553.82214	1.6
605.13062	3.1
665.15887	3.3
751.19513	8.0
769.19757	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	769.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.1
57.03445	4.7
59.01385	26.8
61.98837	76.3
62.91721	1.5
67.01914	2.0
68.99824	10.7
69.03452	5.8
71.01392	23.1
72.99299	6.2
73.02959	3.8
74.62872	1.5
74.95195	1.8
83.01381	5.6
83.05008	5.0
85.02941	5.6
87.00890	4.8
88.56638	1.4
89.02464	8.5
89.63223	1.9
92.92799	1.8
95.01386	3.0
95.05042	2.8
97.02951	12.9
97.06590	6.2
101.02459	10.9
104.32626	1.5
107.05047	3.4
108.02121	1.8
109.02992	2.3
109.06538	2.2
110.03769	5.7
111.00887	3.6
111.04540	26.9
111.08184	4.4
113.02470	6.5
116.92873	2.5
120.65705	1.7
123.04524	5.1
123.08172	3.4
124.94895	1.7
125.06119	2.3
125.09736	10.4
127.11343	2.0
137.09702	5.5
151.11301	7.3
153.09221	5.2
161.04552	4.0
161.09726	11.8
163.11241	2.7
165.12833	7.2
171.10280	96.7
172.10634	5.7
177.09225	8.2
179.07149	2.0
179.10800	17.8
180.11166	3.2
181.12407	2.8
185.11809	5.8
187.09784	1.8
195.10344	2.2
197.11848	15.2
199.09764	2.4
205.08714	27.3
205.10596	2.2
206.09096	2.2
207.10258	4.4
209.11862	5.0
211.13467	3.8
213.11433	8.7
215.12993	2.1
223.09763	74.9
224.10120	6.6
225.11371	3.9
227.12932	4.4
235.08261	6.5
241.10838	6.4
247.20683	6.1
253.09277	24.6
254.09760	1.7
273.18695	2.5
291.19662	55.9
292.20041	7.3
293.21191	2.1
309.20724	100.0
310.21097	12.0
407.19049	2.8
419.18893	2.0
441.17554	5.3
459.18604	10.7
477.20032	3.3
545.30194	1.9
725.37665	3.7
751.39099	15.2
752.39075	6.7
769.40088	28.8
770.40900	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	769.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	1.2
59.01382	9.4
61.98823	2.7
69.03455	5.6
69.43369	0.9
71.01385	6.2
71.05022	2.6
71.31124	1.2
71.31510	1.3
72.99287	1.2
73.02978	1.3
83.05029	1.3
85.02951	1.9
87.00868	1.9
89.02454	3.6
95.01405	1.3
97.02985	0.8
97.06625	1.3
99.00890	1.1
101.02457	4.1
109.06611	2.0
111.08170	6.2
113.02446	1.6
119.03541	1.4
123.08174	2.2
125.09734	3.3
127.07677	0.9
131.44589	0.8
133.98926	0.8
151.11310	4.0
153.12923	1.3
154.44147	0.9
161.04591	1.4
161.09816	4.0
163.11360	1.0
169.12395	3.6
171.10329	4.0
179.07256	1.0
179.10805	8.6
181.12332	1.4
197.11847	100.0
198.12175	5.2
199.13344	1.4
205.08679	1.1
207.10344	2.7
209.11871	2.8
211.13429	3.7
223.09767	2.6
223.13503	1.0
225.11359	2.7
235.08159	1.2
241.10901	3.5
253.09265	5.8
263.20071	1.8
291.19733	3.6
307.19449	0.9
309.20758	8.6
310.21164	1.7
325.20401	1.2
373.15387	0.9
436.15967	0.9
459.19000	1.6
477.19977	2.5
556.30219	0.9
648.13727	1.1
758.92194	1.1
769.40198	99.0
770.40485	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.1
59.01379	8.7
61.98836	5.6
67.33887	1.1
69.03457	6.3
69.31304	1.3
71.01369	6.7
71.05019	1.5
73.02982	1.6
74.68808	1.2
80.43958	1.1
83.05050	2.5
83.31190	1.1
84.82110	1.2
85.00455	1.5
87.00898	3.0
89.02446	4.0
97.02969	3.8
97.06612	1.7
98.21808	3.5
101.02454	3.8
103.01527	1.2
109.06601	4.0
111.08165	3.7
113.02464	1.8
119.03540	1.6
123.08180	1.8
125.09765	3.2
135.08128	1.6
137.09668	1.5
138.64262	1.2
151.11319	2.3
153.12932	1.6
161.04507	1.9
161.09766	4.2
163.11269	2.1
165.12840	1.5
169.12303	2.3
171.10286	5.7
179.10788	10.7
181.12405	1.6
185.11801	1.2
191.97592	1.2
197.11839	75.5
198.12233	7.0
207.10269	7.1
209.11858	4.7
211.13414	3.4
223.09775	3.4
225.11401	4.6
227.12967	2.2
235.08231	1.8
241.10770	2.6
253.09236	5.8
254.09662	1.5
291.19656	8.5
307.19434	1.4
309.20761	8.4
327.21704	2.0
422.40314	1.4
443.19473	1.3
459.19128	1.7
461.21103	1.3
477.19772	2.3
726.37476	2.3
769.40179	100.0
770.40472	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	771.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.4
55.57116	0.3
59.01371	1.7
61.98836	11.4
67.20029	0.4
71.01370	0.6
73.02957	2.3
75.00878	6.6
78.95891	0.4
98.21721	0.8
99.00886	3.1
99.92596	10.9
100.92593	0.6
116.92873	100.0
116.97242	3.5
117.01952	7.4
117.92872	6.1
140.57281	0.4
183.00168	0.4
255.23329	0.4
373.29831	0.4
385.91504	0.4
397.13480	0.8
401.67148	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
69.71189	30.8
82.69568	6.5
109.06584	10.6
116.92879	14.2
197.35074	6.1
207.10274	28.2
225.11281	15.4
244.41344	6.4
253.09273	7.6
291.19724	31.8
292.20422	7.7
437.38986	7.9
461.20325	8.3
481.29980	9.6
704.20178	7.2
717.38336	24.3
735.39600	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	771.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.5
57.52200	1.1
59.01395	5.5
60.99295	1.2
61.98835	33.3
64.29779	1.1
69.77434	4.2
69.77848	2.8
71.01383	3.4
78.95809	1.3
83.05000	1.3
85.02953	2.6
87.00926	1.8
88.98824	4.5
96.96024	3.6
97.06619	1.7
113.02458	1.9
113.06071	1.1
123.08188	1.9
137.02454	1.5
145.02971	1.8
149.06104	2.7
150.06880	38.8
161.09686	1.7
163.07663	9.8
164.08478	7.2
164.90210	1.1
173.08189	1.4
178.09950	2.4
179.10799	19.1
191.05629	2.8
255.06068	1.3
320.19974	1.2
341.23352	1.5
343.21375	3.1
364.22565	3.3
413.22241	1.3
462.29813	3.3
477.32346	3.7
504.31161	1.6
522.32050	3.2
523.32806	16.1
524.33289	4.4
727.39148	100.0
728.39435	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.5
55.83738	1.2
56.16481	1.2
57.03446	2.9
59.01383	17.7
61.98832	5.2
63.58898	1.2
69.03455	3.1
71.01385	9.3
73.02955	3.9
81.03472	2.7
82.95421	21.6
83.01396	2.4
83.05025	4.4
83.92967	1.3
85.02956	13.5
87.00878	1.9
89.02451	4.5
96.41125	1.3
96.78828	1.3
96.96027	1.7
97.02956	9.4
97.06608	3.5
99.00874	2.4
101.02452	9.8
106.04303	1.5
107.05030	1.4
109.06599	38.8
110.03787	2.2
110.06938	1.3
111.04577	1.5
113.02456	6.1
119.03477	2.9
121.06577	1.7
123.04547	2.7
125.06139	1.4
125.09718	1.7
129.20546	1.4
135.08183	5.7
136.05325	2.4
137.09775	3.0
142.02783	2.2
155.10793	1.9
161.02446	1.7
161.04587	4.5
161.09764	1.9
163.11310	19.6
164.11589	1.9
171.10269	24.0
179.10692	2.1
181.12402	4.7
183.13924	5.9
185.11839	1.8
189.09241	1.9
191.05568	2.5
197.11879	2.0
201.11243	2.2
207.10266	98.1
208.10503	7.2
209.11858	10.8
211.13408	17.1
221.11925	2.5
225.11319	38.1
226.11655	2.4
227.12988	1.7
229.14458	9.0
235.08252	11.8
239.12898	2.1
253.09291	30.8
254.09642	2.3
291.19699	4.6
309.20639	8.0
310.20831	1.7
317.91443	1.6
327.21780	100.0
328.22141	9.5
375.24792	1.4
443.19482	4.2
461.20367	15.3
517.32104	2.5
535.32428	1.5
563.30817	3.6
753.40332	3.7
771.41632	40.5
772.42017	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	772.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17373	0.2
59.01367	0.3
61.98835	100.0
71.01398	0.3
76.55026	0.2
78.95895	0.5
79.95738	0.2
82.63480	0.2
96.96022	9.4
96.96991	0.5
106.20200	0.2
161.81725	0.2
223.67636	0.2
269.09940	0.3
277.21808	0.3
294.49921	0.2
346.70700	0.2
453.09174	0.4
476.20306	0.2
696.00073	0.2
713.30334	0.3
718.13715	0.3
765.63708	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.5
61.02585	0.3
61.98833	100.0
71.01398	0.5
78.95914	1.5
79.95759	1.2
83.13474	0.3
93.18274	0.3
94.92538	1.1
94.98108	0.4
96.96017	23.2
96.97001	1.3
98.22631	0.6
103.92092	0.5
104.96489	0.3
131.74890	0.3
139.75333	0.3
202.89258	0.4
232.40651	0.3
397.13773	0.4
435.09250	0.3
453.09515	0.5
483.04916	0.5
576.05829	0.3
630.70636	0.3
713.30847	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02596	0.3
59.01382	100.0
60.01716	1.4
64.40552	0.3
69.82654	0.7
69.83048	0.9
71.25821	0.4
75.00899	0.9
78.09231	0.4
85.00441	1.4
90.13063	0.4
95.74844	0.4
103.00382	4.8
103.01502	62.6
104.01837	0.7
220.39455	0.4
629.36877	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.5
61.98837	100.0
70.31525	14.0
70.31913	14.1
78.95919	12.1
83.36111	5.9
109.06591	12.4
163.11421	7.8
171.10216	6.7
207.10307	64.2
208.10527	8.3
211.26517	6.2
225.11324	20.3
253.09407	23.0
275.20044	9.5
293.21271	73.5
294.21573	8.6
443.19351	8.0
461.20279	8.7
737.41058	40.3
738.41840	14.8
773.39319	18.7
785.79181	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	773.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99233	1.0
57.03463	2.0
58.57821	1.1
59.01384	4.6
61.98837	8.8
69.57233	6.6
71.01381	3.6
73.02963	1.1
85.02969	2.2
87.00904	1.4
88.98845	1.8
96.96017	2.5
100.97303	1.5
101.02428	1.9
104.03578	2.6
110.02513	2.1
111.04539	1.9
113.02467	3.8
118.87021	1.3
119.05033	3.3
135.08224	1.6
145.02953	2.5
149.06071	3.2
149.09830	1.2
150.06876	36.2
151.07268	1.8
161.02556	1.7
163.07648	15.1
164.08437	5.6
171.10350	1.7
175.03989	1.4
178.10069	1.8
179.10789	14.1
180.26659	1.0
191.05707	2.8
309.23965	1.4
343.25043	3.9
345.22781	3.7
407.65414	1.1
410.27570	1.1
462.33566	2.2
464.31494	4.5
478.32895	4.8
479.33646	6.0
506.32379	4.2
507.33234	3.0
524.33386	5.9
525.34344	17.0
526.35168	2.3
687.39960	2.7
729.40717	100.0
730.41125	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	773.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99233	1.0
57.03463	2.0
58.57821	1.1
59.01384	4.6
61.98837	8.8
69.57233	6.6
71.01381	3.6
73.02963	1.1
85.02969	2.2
87.00904	1.4
88.98845	1.8
96.96017	2.5
100.97303	1.5
101.02428	1.9
104.03578	2.6
110.02513	2.1
111.04539	1.9
113.02467	3.8
118.87021	1.3
119.05033	3.3
135.08224	1.6
145.02953	2.5
149.06071	3.2
149.09830	1.2
150.06876	36.2
151.07268	1.8
161.02556	1.7
163.07648	15.1
164.08437	5.6
171.10350	1.7
175.03989	1.4
178.10069	1.8
179.10789	14.1
180.26659	1.0
191.05707	2.8
309.23965	1.4
343.25043	3.9
345.22781	3.7
407.65414	1.1
410.27570	1.1
462.33566	2.2
464.31494	4.5
478.32895	4.8
479.33646	6.0
506.32379	4.2
507.33234	3.0
524.33386	5.9
525.34344	17.0
526.35168	2.3
687.39960	2.7
729.40717	100.0
730.41125	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	775.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94464	0.8
59.01383	3.4
59.45899	1.2
61.98824	3.0
69.32059	5.0
69.32470	2.3
71.01381	3.7
72.00922	7.5
73.13474	1.0
85.02957	2.3
89.02470	2.0
93.03468	5.3
94.02975	1.3
96.96027	3.8
100.00417	21.0
100.01057	1.6
101.02442	1.8
109.01732	1.2
110.02493	4.0
113.02472	4.1
116.05074	9.2
117.03470	18.5
119.05039	100.0
120.05368	5.3
121.02990	2.2
130.06641	6.1
133.02895	1.1
135.04546	1.0
139.59120	1.1
142.06636	37.6
143.06946	1.8
145.02969	62.8
146.03371	3.9
146.06133	3.8
147.04546	1.5
154.20177	1.1
157.07693	8.4
159.09264	5.5
161.04613	1.2
162.03253	1.0
162.05634	1.8
163.04024	45.9
164.04352	2.4
173.19063	1.1
174.05632	1.2
176.07199	2.3
181.07733	1.9
185.07190	2.3
186.05621	18.4
187.06104	1.0
191.05624	1.9
203.08278	3.0
210.06873	1.3
211.07556	2.7
223.07718	5.6
224.36002	1.0
229.06187	54.1
230.06491	2.5
237.09302	2.4
305.13000	4.8
322.10834	5.6
349.11975	73.6
350.12213	10.4
350.32660	1.1
400.81845	1.0
425.14600	44.4
426.14902	5.5
451.16782	1.6
495.15649	20.2
496.16064	2.6
775.27051	17.0
776.28003	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	775.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.5
61.98846	2.7
62.94000	1.2
64.07146	1.3
65.17561	1.3
70.02988	7.8
71.01394	5.7
71.29230	2.0
73.02966	1.7
74.02467	1.4
78.75267	1.4
79.27592	1.1
81.03451	1.5
82.02997	6.9
85.02956	3.9
86.25610	1.9
87.00876	1.2
93.03472	12.9
96.00930	10.3
96.96030	7.5
98.02496	4.8
100.00423	2.0
101.02449	2.2
109.01708	39.5
110.02501	45.2
113.02471	4.4
116.05060	25.0
117.03460	5.5
117.05496	1.5
119.05042	16.6
122.02523	2.2
128.05049	1.3
130.04240	1.4
130.06650	1.5
130.78149	1.4
131.05013	1.6
133.02974	2.6
133.06651	3.4
136.48666	1.4
142.06633	24.0
143.05028	2.3
145.02965	10.6
146.03249	1.5
146.06105	2.3
147.75388	1.4
154.05478	1.3
157.07730	4.5
158.03815	1.8
159.04521	3.8
161.04758	1.3
161.06053	2.8
163.04013	5.1
171.04547	1.6
183.05687	5.6
185.06120	1.6
186.05577	9.4
187.04045	2.0
191.05690	1.5
193.07710	2.8
195.05630	7.2
195.09328	4.0
196.07845	1.7
197.11862	2.9
201.04472	1.6
202.05167	2.0
203.08284	4.1
209.06026	1.9
210.06834	17.7
211.07637	100.0
212.08018	7.7
213.10313	4.1
214.05144	9.6
221.07245	2.7
229.06154	3.8
234.91176	1.8
237.09276	5.7
238.07481	5.7
239.08282	12.9
241.10863	4.8
257.09354	2.4
265.08688	8.8
283.07260	33.9
284.07535	1.5
300.21341	1.2
308.09198	10.8
317.13065	2.2
345.12512	17.2
346.12506	1.6
349.11902	5.2
357.12521	4.4
425.14600	3.0
451.16602	13.3
452.16879	3.9
495.15671	95.7
496.15955	17.0
563.18860	2.9
588.19415	1.5
775.27368	34.7
776.28094	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	775.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97246	0.1
59.01373	0.1
69.07084	0.3
69.07496	0.7
71.01353	0.1
78.95907	2.4
79.95737	3.3
85.02963	0.1
89.02447	0.1
93.03517	0.1
94.98092	0.2
96.96015	100.0
96.96889	3.0
97.95959	0.3
103.38293	0.1
108.07971	0.1
113.02455	0.2
191.05640	0.2
431.58054	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	776.35
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01138	2.9
59.01381	31.3
61.98812	4.6
64.13084	2.4
71.01382	22.8
71.31587	3.8
73.02930	5.2
83.01394	2.4
85.02931	10.1
87.00848	2.9
89.02453	23.5
94.02940	2.9
95.01373	3.4
96.95990	2.4
101.02446	16.3
113.02431	14.6
115.92399	2.3
119.03505	8.7
133.02960	2.5
134.04753	10.7
135.04547	6.4
137.02472	3.0
143.91435	2.3
145.02910	2.6
147.04507	6.5
161.02452	5.0
161.04605	2.2
168.71056	2.0
179.03516	6.6
184.02586	2.0
187.07761	2.2
191.05602	6.1
203.03613	2.6
211.07671	5.5
255.06602	2.3
287.16302	2.1
341.08920	3.0
406.15091	100.0
406.20523	4.9
407.15350	14.3
622.20270	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	779.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01724	1.3
61.43212	0.2
61.65092	0.3
61.81601	0.3
61.98826	1.9
64.09372	0.3
66.53343	0.3
71.01402	0.4
73.60857	0.3
75.00883	1.1
83.05029	0.3
85.00439	0.4
94.05591	0.3
98.21799	0.8
102.95704	0.8
103.00380	3.6
103.01504	63.1
104.01845	0.7
153.92572	0.3
204.26363	0.3
207.10315	0.4
225.11264	0.7
229.11528	0.4
253.09123	0.3
298.15155	0.3
369.86343	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80680	2.5
59.01384	13.4
60.79649	2.4
61.98815	6.6
69.03407	2.3
70.64062	5.7
70.64463	4.9
71.01378	5.8
76.57071	2.4
83.05009	2.7
89.02454	4.5
94.70491	2.4
97.02953	6.9
101.02444	8.3
109.02997	2.6
109.06604	32.6
113.02479	5.4
135.08205	2.8
142.02750	3.2
163.11275	17.0
171.10309	8.2
181.12387	3.6
195.13927	4.8
207.10271	100.0
208.10559	6.2
209.12036	2.8
225.11314	37.1
235.08160	5.3
253.09256	16.8
259.20032	3.1
275.20264	12.1
293.21262	79.7
294.21561	9.1
295.64447	2.5
337.23386	2.8
362.97147	2.6
443.19034	5.4
461.20145	14.8
521.68140	2.8
737.41339	32.5
738.41644	10.2
757.88873	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	780.452
Annotation	Unknow
Peak:m/z	Relative Intensity
61.04221	2.1
61.98838	25.2
71.01392	3.9
71.29378	4.0
79.95750	4.5
80.96527	29.4
81.83192	2.1
82.52281	2.1
82.95418	3.6
84.95132	5.8
85.00449	100.0
94.98090	5.4
97.78748	1.9
101.02476	2.5
131.07225	2.3
148.99142	3.9
153.15852	2.2
164.98631	7.1
207.10301	4.7
225.00766	8.0
225.11214	3.7
262.70660	2.3
277.21759	6.8
297.54819	2.2
356.25598	4.1
427.29590	2.1
467.28583	3.6
474.14270	2.5
505.22540	2.3
527.34595	2.8
694.44501	2.8
721.41376	4.0
752.84113	2.9
760.21667	2.4
763.38989	5.3
780.39368	26.9
781.40533	75.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	2.3
63.02394	0.7
65.00330	0.9
67.23834	0.7
69.31123	3.2
72.64035	0.5
83.01377	1.0
85.02934	1.3
93.03448	1.1
98.21775	0.8
101.02448	0.7
105.59067	0.5
107.01392	2.3
111.00904	0.6
113.02433	0.8
129.01907	0.7
132.02173	1.9
133.02992	0.6
135.00868	1.2
135.04524	0.5
137.02354	0.4
151.00352	4.0
151.30925	0.4
157.06467	0.4
161.02449	0.8
163.00381	1.4
164.01161	0.7
167.05013	0.7
169.06532	0.7
173.04475	0.7
178.99849	1.2
183.04486	1.8
187.04007	1.1
191.05630	2.0
195.04533	0.7
197.09727	0.7
199.03940	1.1
208.25107	0.5
211.04062	2.5
212.04427	0.5
213.05594	0.7
223.07384	0.6
227.03520	47.0
228.03915	3.7
229.05049	2.7
239.03470	1.5
239.10985	0.5
240.04225	0.6
241.05092	0.7
255.03001	84.1
256.03513	10.1
257.04425	3.1
283.02457	2.8
283.09793	0.9
284.03287	100.0
285.03925	26.8
286.04391	1.2
327.05161	0.6
471.09369	1.8
590.04871	0.6
633.14679	1.1
651.15497	3.8
652.16827	0.7
693.16766	62.0
694.17072	12.9
781.25739	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25486	0.7
59.01387	100.0
60.01723	1.2
61.98843	3.8
62.09270	0.8
70.11482	2.8
71.01390	11.4
73.02952	4.6
83.01398	2.2
83.57115	0.7
85.02959	3.6
89.02451	4.6
96.96033	1.0
98.21836	0.9
99.08196	2.2
101.02454	7.7
113.02457	7.0
119.03527	2.6
119.05032	1.0
123.47237	0.7
125.02422	0.7
127.07680	0.9
129.02008	0.9
133.02980	1.3
135.04555	11.4
137.09714	1.2
140.00085	0.9
143.03560	1.2
145.02979	1.5
145.08730	10.4
149.04549	0.9
161.02470	2.3
161.04608	3.2
163.04037	1.0
177.01987	0.8
179.03488	1.0
189.12849	5.1
191.05714	1.6
200.46378	0.8
203.05606	6.8
207.13927	4.3
225.15019	3.4
307.14032	24.0
308.14474	1.7
341.09103	1.1
369.19537	1.1
429.21268	7.2
704.76807	0.8
781.25128	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	20.3
70.84113	4.9
70.90547	2.2
71.01389	8.3
78.95913	3.1
78.98583	8.8
79.95732	16.0
80.96528	100.0
82.95410	3.0
82.96108	5.8
85.00452	6.8
85.02953	4.6
87.00885	4.5
94.98101	21.9
97.02999	2.6
101.02481	4.6
106.98122	5.4
122.97602	3.6
125.02481	7.6
132.47839	2.5
134.97618	8.4
148.99152	9.5
152.98627	9.3
164.98636	21.6
198.13980	2.7
206.99605	4.4
225.00769	42.3
255.23395	3.2
537.26947	5.2
625.01691	3.5
737.38239	3.8
752.18304	2.9
763.39496	7.4
781.40381	99.1
782.40826	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	781.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16129	5.3
66.25454	5.0
69.54134	7.5
69.54547	18.1
71.01406	5.3
74.05857	5.0
75.77772	4.5
76.96691	4.9
78.88109	4.9
78.98612	6.6
79.95746	18.7
80.52550	4.3
80.96519	100.0
94.98112	15.7
106.51546	4.4
128.18115	5.3
164.98610	6.7
205.14603	4.9
225.00847	12.3
240.51163	5.5
277.06335	5.4
364.79523	5.1
416.14209	5.6
763.39655	8.1
781.40479	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	8.9
61.98827	16.0
74.49561	6.2
77.34330	6.2
79.95751	9.3
80.96532	38.8
84.95129	6.2
85.00444	64.0
94.98130	11.6
97.02976	6.6
98.21698	10.9
105.24060	5.6
109.06615	13.7
124.34995	5.8
136.99245	7.4
144.93932	5.8
163.11264	6.7
164.98581	8.0
185.88678	5.9
189.89000	6.0
207.10301	61.5
208.10619	6.4
209.11810	6.1
225.00710	7.2
225.11336	14.1
235.08237	7.0
244.34036	5.8
253.09332	8.3
277.21689	100.0
279.09705	6.1
307.23563	6.4
410.12305	6.5
461.20325	5.9
721.41345	22.9
722.41345	9.0
781.40393	66.5
782.40643	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	782.5193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
61.98831	1.1
66.03478	0.9
71.02518	1.0
71.21035	0.7
80.05074	0.7
81.55089	0.7
82.06643	3.1
87.01907	0.7
87.05721	7.5
94.06579	0.9
97.04089	1.5
98.02485	1.3
111.02072	0.8
112.07669	1.9
113.03591	1.6
118.06647	1.2
118.70840	0.7
121.04101	3.0
127.08824	1.5
129.10356	25.6
130.08755	3.6
130.10680	1.1
131.05080	1.0
132.87209	0.7
136.70499	0.7
139.08789	5.3
140.07208	5.0
145.35706	0.6
146.06152	2.8
153.10329	2.1
155.08305	4.9
155.11938	1.9
157.13538	0.6
164.09589	5.3
165.10350	5.6
166.08804	1.0
167.08357	1.0
167.10655	1.0
177.10497	0.6
178.09731	0.7
180.11456	1.1
182.13002	4.1
183.11385	4.1
195.15091	2.2
197.16599	4.1
199.18282	0.8
200.14119	6.8
207.15027	19.6
208.11006	0.7
208.13467	0.9
208.15370	0.8
214.12314	1.0
223.12065	1.4
224.17709	9.3
225.16064	3.9
225.18025	0.7
241.13477	2.9
242.11945	3.6
242.18741	13.5
242.21016	1.0
243.19199	1.3
252.20790	0.6
259.14517	6.1
260.15015	0.7
268.16577	0.8
268.20413	0.9
269.16592	0.8
276.17313	1.5
294.25729	0.9
295.21393	10.4
296.21719	1.3
310.25092	1.2
312.17215	3.4
313.22424	4.2
329.19998	1.4
330.18298	1.4
337.26086	10.9
338.26550	1.9
347.21033	2.0
355.27289	4.1
371.24481	1.1
381.28918	0.7
407.75494	0.7
426.31076	0.8
443.08246	0.8
443.26428	1.0
468.35635	0.7
539.39490	5.8
556.35144	1.5
573.37927	6.3
574.37988	1.0
615.42639	2.1
616.43121	0.8
782.51947	100.0
783.52185	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.9
57.03455	2.6
57.07953	0.3
58.00599	3.8
59.01383	100.0
60.01719	1.1
67.01896	0.3
69.03217	2.5
69.03617	0.5
71.01385	65.1
72.01730	1.0
72.99313	4.7
73.02953	5.9
75.00892	0.5
81.03431	0.4
83.01398	3.3
85.02956	14.6
85.42602	0.3
87.00884	3.0
89.02451	73.6
90.02787	1.4
93.03465	0.3
95.01395	4.6
96.96033	0.5
97.02954	0.8
99.00889	1.8
101.02448	32.0
102.02791	0.8
110.02472	0.3
113.02456	28.2
114.02763	0.8
116.78761	0.3
117.03500	0.4
119.03512	28.9
120.03807	0.7
121.02950	0.4
121.06576	1.0
125.02402	1.3
129.21170	0.3
131.03503	3.8
137.09731	9.0
141.62500	0.3
143.03511	6.2
149.04591	4.0
149.05867	0.5
159.02921	1.0
159.93697	0.3
161.02498	0.6
161.04575	11.8
162.04884	0.5
162.91435	0.3
170.72745	0.3
179.05615	15.9
180.05937	0.7
186.93990	0.3
189.12781	0.7
191.05531	0.4
210.21721	0.3
221.06548	0.4
229.91029	0.3
240.04593	0.3
263.48969	0.3
542.57019	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.413
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99308	0.8
61.98837	100.0
63.81841	0.2
68.98569	1.3
68.98987	0.8
71.01404	0.2
80.96519	1.1
85.00470	0.2
88.98815	3.3
116.71922	0.2
225.00676	0.3
282.06308	0.3
284.06912	0.2
309.33954	0.2
676.88275	0.2
763.38245	0.3
784.42194	0.7
785.41138	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.413
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
62.98545	0.3
71.08546	0.3
78.40762	0.1
80.96523	0.9
82.96088	0.2
94.98084	0.2
161.84813	0.2
216.37010	0.2
272.08521	0.2
287.50043	0.2
381.62268	0.2
784.42322	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04605	0.7
59.01377	2.3
60.25891	0.8
61.98833	4.3
62.69778	0.7
63.02411	1.5
65.00341	1.3
67.01888	0.8
67.23862	0.8
70.39695	2.8
73.08288	0.8
83.01394	1.2
85.02956	0.9
88.98825	1.9
93.03464	4.5
96.95982	0.9
101.02432	1.2
105.62350	0.8
107.01401	3.6
109.03004	1.0
113.02474	2.6
132.02199	2.4
133.02980	1.4
134.03735	2.3
135.00966	0.9
135.04524	1.7
145.03026	1.6
149.06020	0.9
151.00366	7.0
160.01657	2.2
161.02464	5.7
163.00323	1.2
163.04053	1.4
164.01212	0.8
165.01913	0.9
169.01535	1.4
173.04529	1.2
175.04034	2.1
178.99902	2.3
179.03401	2.0
183.04506	1.5
185.06126	1.2
187.04100	1.5
191.05684	1.6
193.05132	1.6
199.04100	1.3
200.04630	1.5
211.03990	3.7
227.03532	52.2
228.03850	5.1
229.05075	3.0
239.03424	1.3
255.02997	98.2
256.03513	14.0
257.04462	3.7
283.02536	8.1
284.03281	100.0
285.03937	30.8
286.04443	2.1
289.33496	0.7
298.04922	3.5
299.05499	2.1
323.07785	1.1
429.07947	1.0
485.13168	1.1
485.21744	1.0
609.14801	1.1
623.15741	1.8
684.37769	0.9
785.19391	58.1
785.31281	2.9
786.19568	16.5
786.31409	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60685	2.2
59.01382	16.7
61.98839	20.1
62.59376	2.3
69.03460	2.6
70.63745	5.9
71.01398	12.1
73.02937	3.6
77.54171	2.4
81.03455	5.1
83.01414	2.5
83.05042	2.6
84.02197	6.0
84.25935	2.5
85.00387	2.3
85.02952	2.5
89.02454	5.0
96.96054	2.5
97.02958	8.3
97.06599	8.7
99.04496	2.6
101.02437	5.4
103.79391	2.0
105.64529	2.0
106.04275	2.4
109.06611	39.5
111.00885	2.6
113.02468	6.3
119.03531	2.7
121.06583	3.7
123.04559	2.5
125.09711	3.7
130.40442	1.8
135.08173	3.6
142.02692	4.3
147.18175	2.5
161.04642	2.6
161.09731	3.6
163.11319	18.4
171.10310	21.0
181.12361	5.2
189.09143	2.3
193.12344	9.2
207.10283	100.0
208.10608	6.4
209.11798	5.9
211.13463	5.3
213.49910	2.4
223.09775	5.9
225.11340	33.4
225.14818	13.6
226.11732	2.9
235.08209	9.6
240.95047	2.2
243.16057	6.6
253.09334	25.1
291.19675	3.1
325.20166	7.8
340.72406	2.3
341.23352	88.1
342.23654	13.5
384.42178	2.2
441.58316	2.0
443.18997	4.3
461.20480	10.9
577.32904	2.7
785.43420	34.3
786.44415	10.6
786.56964	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	785.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	14.9
61.98829	14.4
69.03457	2.3
71.01376	7.5
73.87768	1.5
79.94401	1.5
80.02671	1.6
81.03466	4.5
83.05040	4.3
84.02148	3.7
85.02956	2.5
87.00892	1.8
89.02458	4.7
97.02945	9.3
97.06589	10.1
98.21780	3.3
99.00858	2.0
99.04583	1.6
101.02474	6.9
109.06605	34.9
110.03743	1.6
110.06936	2.5
113.02469	5.2
116.92894	8.2
118.33385	1.4
121.06578	2.5
123.04475	1.7
125.09756	2.7
135.08195	4.3
142.02707	4.7
145.91849	1.5
161.04579	3.4
161.09683	2.6
163.11302	18.6
164.11595	1.6
171.10287	14.6
181.12314	3.2
185.11736	1.7
189.09145	1.9
193.12363	11.6
207.10283	100.0
208.10558	7.4
209.11870	4.4
211.13344	3.1
223.09731	2.8
225.11346	33.2
225.14873	13.8
226.11633	2.8
229.58891	2.2
233.42174	1.7
235.08226	7.6
243.16058	8.6
253.09291	21.9
253.14371	2.6
281.17651	1.9
291.19705	2.1
325.20126	1.6
341.23337	92.3
342.23679	10.7
443.19202	4.0
461.20358	11.5
462.20447	1.9
531.33142	2.6
577.32391	3.4
578.85803	1.7
585.52374	1.7
767.42096	2.2
785.43323	31.2
786.42950	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	786.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.5
61.98836	100.0
62.06086	0.3
64.74657	0.2
67.85528	0.3
69.60977	1.5
82.55697	0.3
94.27048	0.3
119.05079	0.8
146.17120	0.3
163.04073	0.8
170.82399	0.2
181.25517	0.3
197.11989	0.4
252.44630	0.3
281.95544	0.3
283.13483	0.5
425.14740	0.6
548.50330	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.429
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
66.40612	0.3
69.06799	0.9
69.07217	2.2
70.55322	0.3
85.50184	0.3
98.21736	0.6
100.97659	0.3
110.18326	0.3
131.07198	0.4
187.61810	0.3
274.73990	0.3
291.96741	0.3
530.10132	0.4
549.22968	0.3
737.51782	0.5
782.02081	0.3
794.08295	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.429
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23817	0.3
61.98836	100.0
69.65430	0.8
69.65836	0.7
76.80904	0.2
80.34834	0.2
94.06237	0.3
108.08625	0.2
116.92912	0.5
139.00987	0.2
256.87000	0.3
385.02469	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.2
59.01379	1.1
61.98823	0.5
71.01376	0.3
73.02953	1.7
75.00864	1.4
84.02169	0.2
87.00862	0.4
96.96040	0.3
99.00871	1.1
99.92590	12.0
100.92597	0.6
102.98839	0.2
109.06629	0.2
113.02477	0.2
114.93433	0.5
116.92869	100.0
116.97250	0.7
117.01960	3.4
117.92881	6.3
171.10283	0.5
184.68423	0.2
207.10274	0.3
209.11891	1.5
211.13435	0.2
225.11250	0.3
227.12825	0.2
227.26173	0.2
253.09322	0.4
317.13348	0.2
327.21863	0.4
341.23425	0.7
342.23682	0.3
395.95636	0.2
552.19012	0.2
593.88507	0.2
669.29858	0.2
747.99481	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	19.3
61.98833	100.0
71.01407	17.4
100.49782	9.4
101.02419	12.5
109.06609	22.2
116.92902	9.9
125.09737	12.6
131.94048	9.3
163.11285	21.3
207.10329	98.5
209.11842	42.1
211.79074	11.7
225.11394	46.2
228.84189	9.2
253.09279	21.2
269.13614	11.0
289.18353	51.7
307.19125	78.1
308.19687	19.7
342.03479	9.5
461.19742	16.4
497.29333	12.2
561.83813	10.3
635.31036	13.9
733.38129	34.2
734.38043	12.1
751.39099	62.5
752.39111	25.9
787.36462	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	787.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	41.7
59.01384	12.8
61.98832	8.4
64.99039	1.8
69.03451	6.3
69.05619	6.9
69.06038	12.7
71.01395	6.5
73.02934	2.8
77.74736	1.8
83.01374	2.6
83.05019	1.8
85.02956	13.3
87.00890	4.5
87.04528	17.6
89.02470	4.7
91.30859	2.2
93.03456	6.5
95.05019	2.0
96.96001	2.1
99.04491	2.4
100.98709	1.7
101.02457	2.1
113.02470	6.7
113.06113	4.8
119.05067	5.5
121.44062	2.4
124.04126	1.9
127.07649	2.2
133.02968	17.9
134.03682	3.9
135.04552	13.1
137.02484	3.2
145.02898	3.8
145.08757	2.2
148.45203	1.9
149.06137	3.2
150.03149	2.0
150.06885	42.6
151.07367	2.5
155.07111	4.1
161.02463	4.2
162.03122	2.0
163.04007	3.8
163.07671	8.4
164.08437	5.1
173.08200	88.7
174.08476	5.1
175.60536	2.3
177.01962	9.2
178.02788	5.3
178.09993	3.0
179.03484	6.5
179.10789	16.9
185.08194	4.1
191.05638	26.1
194.01814	1.8
203.09297	11.5
211.13455	4.3
220.03830	3.4
221.04404	2.3
331.97849	2.1
341.11133	2.0
350.21069	6.1
352.08148	2.8
364.22574	4.6
365.23318	19.5
442.85983	2.2
521.30798	2.4
531.37274	2.1
539.31616	1.9
628.80353	2.1
727.27448	2.2
743.38739	100.0
744.39130	31.5
747.33875	2.0
755.21173	1.9
787.24176	5.7
788.24042	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	787.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	3.5
59.01389	13.2
61.98831	9.4
68.99582	3.8
69.03464	7.3
71.01388	11.1
71.43929	2.0
73.02967	3.0
82.95434	5.6
85.00463	2.4
85.02974	8.2
87.00890	3.2
89.02460	5.1
95.18425	2.5
96.96008	9.1
97.02986	3.5
97.06595	2.4
98.22538	5.1
98.95647	2.3
99.92596	5.8
101.02444	8.2
102.76947	2.0
109.06617	2.8
112.98531	2.4
113.02482	5.8
116.92861	25.2
125.09753	3.5
133.02924	3.9
135.04514	3.4
137.09770	2.5
151.11307	3.6
161.02483	3.7
161.09746	6.4
171.10271	17.7
179.10802	5.5
191.05569	2.9
197.11833	74.8
198.12167	3.4
207.10320	4.8
209.11842	4.6
211.13329	10.8
221.11996	2.8
223.09840	3.7
229.08829	2.1
229.14555	6.2
233.48801	2.1
241.10898	2.7
253.09200	4.4
291.19791	2.2
295.45908	2.1
327.21698	13.9
349.99216	2.1
787.41357	100.0
788.41833	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	0.5
61.98836	100.0
68.24208	0.3
79.93604	0.2
80.48554	0.3
81.50952	0.3
82.48099	0.3
92.32153	0.2
98.21820	0.8
109.21799	0.2
111.53546	0.3
113.39275	0.3
118.38914	0.3
157.09114	0.3
225.11292	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.2
61.98835	100.0
62.98540	0.2
70.42189	0.1
108.98877	0.1
116.92889	0.2
207.10342	0.2
228.85950	0.1
266.13757	0.2
332.82346	0.1
407.67538	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37416	1.2
58.56053	1.4
59.01368	1.3
61.98838	37.9
68.99580	100.0
71.01386	2.6
78.91897	1.9
84.91618	1.4
86.23046	1.2
89.02442	1.6
98.22503	5.2
102.84921	1.6
104.78262	1.3
109.06582	2.3
112.98582	94.6
113.02457	3.1
142.10243	1.2
181.12317	1.7
192.71024	1.4
197.11893	3.3
207.10277	15.2
208.69138	1.3
225.11337	3.5
235.08250	2.5
253.09303	3.5
309.20721	10.6
372.86700	1.8
443.19376	1.9
461.20309	2.2
753.40582	6.2
754.40375	2.0
789.38715	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	789.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	23.9
61.98841	78.6
70.04807	47.8
71.01383	20.8
78.95905	16.6
79.80183	10.7
98.06857	10.6
101.02437	15.4
109.06635	26.9
143.55066	11.7
163.11307	26.4
194.62396	10.9
207.10245	100.0
223.09746	33.3
223.13338	23.0
225.11276	87.1
253.09351	32.5
291.19763	84.3
293.21216	44.1
459.18655	14.9
735.39520	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	789.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22078	39.0
69.22481	19.3
71.01370	7.8
74.14686	6.7
77.93102	6.6
79.95756	19.0
80.96525	100.0
85.02985	6.1
93.03877	7.5
94.98092	28.3
122.97549	6.8
148.99144	7.1
164.98677	16.0
167.26923	6.8
195.67152	6.4
204.06848	8.9
225.00804	21.2
601.18365	8.1
789.41144	90.0
790.40802	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	794.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.7
59.01381	16.6
61.98830	6.2
62.77415	1.4
69.03477	1.6
69.88374	1.4
70.63881	1.3
71.01388	9.0
71.32002	2.9
73.02966	1.6
80.02688	1.4
81.03461	5.5
83.01392	3.1
83.05032	4.3
85.02954	2.2
87.00890	3.3
89.02441	7.9
91.39386	1.3
93.03468	1.9
95.05016	1.9
97.02962	9.3
97.06606	4.0
99.00887	2.3
99.48383	1.5
101.02457	11.4
106.04231	1.7
107.05078	2.3
109.06604	37.3
113.02496	4.1
116.92880	3.6
119.03477	1.6
121.06611	3.3
123.04518	5.0
123.08157	2.5
125.09750	6.9
125.77904	1.4
129.08020	1.3
129.11674	1.5
135.08194	5.4
136.05249	1.8
137.09726	2.9
142.02661	2.9
145.05132	1.8
160.46959	1.3
161.04596	2.7
161.09694	3.0
163.11307	25.6
165.12747	2.0
179.10799	2.2
181.12390	7.7
185.11887	8.0
191.14465	8.2
207.10272	100.0
208.10603	7.7
209.11879	26.5
211.13275	1.9
223.13406	2.7
225.11328	44.2
226.11726	4.0
235.08252	6.2
237.11333	2.0
245.19183	11.2
253.09305	20.3
287.16479	2.1
289.18124	45.1
290.18463	4.9
299.14932	1.9
305.17648	2.6
307.19159	39.2
308.19440	4.6
309.20685	1.7
349.12442	1.5
351.21701	1.5
399.21207	3.2
417.22766	4.7
433.65787	1.5
443.19269	6.2
459.20831	1.7
461.20612	10.9
462.20560	2.5
479.28073	3.4
497.29190	6.0
515.30292	2.3
635.31049	6.8
653.31818	1.7
715.36633	5.3
733.37451	9.0
734.37433	2.8
751.39203	31.6
752.39221	8.2
785.14484	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	795.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45201	2.2
59.01371	9.3
61.98821	4.9
63.52441	2.1
69.13374	19.0
71.01387	4.0
80.88555	1.9
82.02987	13.7
85.02930	2.8
88.98808	5.1
96.96021	3.3
97.55392	2.2
98.63120	2.0
101.02454	2.8
112.04069	3.7
113.02464	5.0
113.53677	2.3
116.92834	7.0
120.04549	3.8
122.09766	6.6
129.05591	3.6
132.04535	2.3
136.07652	4.6
137.02312	2.2
138.05672	3.2
147.03278	4.7
148.04054	34.1
148.61145	2.0
149.04823	12.4
150.05624	53.1
154.05145	5.7
160.04066	7.6
161.04848	18.9
162.05594	4.8
163.02727	3.2
164.03572	10.4
164.07140	3.7
166.08752	5.2
172.07719	2.3
173.03551	12.6
173.04791	2.8
174.04320	40.1
174.05540	3.0
175.05083	20.5
175.06433	8.5
186.05606	4.4
187.06372	6.7
188.07195	4.4
189.06673	19.6
190.05180	5.0
190.07471	57.4
191.05719	5.2
191.08156	6.0
200.07205	5.7
201.07942	7.1
202.07440	9.3
202.08963	4.8
203.05939	3.4
203.08286	2.8
213.10316	3.1
214.11108	4.7
215.08247	4.5
217.07407	6.1
217.09773	3.6
220.09866	3.0
228.06668	4.6
231.07709	8.9
232.08510	60.2
233.09253	20.1
234.09648	2.9
241.09581	2.8
242.10550	3.6
243.07785	9.5
243.11392	4.3
244.08202	24.5
245.09261	20.8
262.09567	3.0
267.07886	3.2
268.08554	4.9
269.09137	3.0
270.07794	3.2
271.14532	13.7
286.09570	16.7
287.10483	14.4
296.13956	2.9
304.10641	4.0
315.13495	9.9
344.58447	1.9
354.18185	7.8
365.18954	2.8
366.18185	4.0
390.18179	2.6
398.17300	12.0
408.19391	6.3
409.18198	2.1
410.17459	6.2
426.20395	13.7
434.17044	4.3
452.12646	4.0
452.18323	44.1
453.18277	7.5
467.16809	5.3
468.17255	3.2
470.19305	55.4
471.19611	5.5
502.18103	2.7
560.22424	12.0
561.22876	3.7
572.22217	3.3
573.21606	3.4
589.27295	3.0
614.23462	10.8
615.24054	12.7
632.24609	100.0
633.25287	36.3
634.26044	4.5
723.28583	4.3
777.30078	3.9
795.30914	44.2
796.31000	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	795.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	2.0
57.43113	2.0
59.01395	11.2
59.60285	2.2
61.98827	7.5
71.01386	5.1
82.02986	12.2
84.46033	2.4
85.02939	4.2
85.23330	2.2
87.00912	2.5
88.98802	4.2
96.96053	4.5
98.22507	5.8
108.04549	3.3
110.02520	2.6
112.04048	6.1
113.02457	7.3
119.03583	3.5
119.05047	4.2
120.04549	4.3
122.06136	2.9
122.09797	5.6
131.03955	2.0
135.04562	3.6
136.07729	3.8
137.02499	2.7
138.05576	2.4
140.64671	2.4
145.02986	3.4
147.03250	2.8
148.04057	32.3
149.04845	13.6
150.05609	63.2
154.05159	4.3
160.04070	8.6
161.04829	22.4
162.05641	4.3
163.02783	5.2
164.03546	10.7
164.07208	6.8
166.08748	4.5
173.03520	15.8
173.04840	3.4
174.04340	54.9
174.05611	4.1
175.02725	3.4
175.05106	25.2
175.06487	7.3
176.05728	2.8
186.05495	4.4
188.07219	3.1
189.06671	21.9
190.07483	58.1
191.05707	7.1
191.08220	10.6
192.62555	2.3
196.07153	2.1
200.07208	5.7
201.07950	8.6
202.07471	9.9
202.09018	3.5
203.05984	3.9
209.11951	4.9
213.10265	3.0
214.11107	6.3
215.08153	3.0
216.06750	4.4
217.07423	5.6
220.09875	3.0
227.12918	2.4
228.06725	5.0
231.07796	9.4
232.08534	69.0
233.09238	22.0
241.09819	2.9
242.08273	2.9
242.10585	2.8
243.07550	10.4
243.11343	3.9
244.08279	29.0
245.07028	3.8
245.09288	31.2
246.09827	2.7
262.09467	4.6
268.08621	6.1
269.09320	2.9
271.14508	15.5
285.08740	3.4
286.09634	15.9
287.10449	14.6
296.13998	6.8
304.10681	2.6
305.11557	2.4
315.13580	12.1
337.10645	3.4
340.12949	2.9
354.18185	11.1
366.18433	3.3
384.19608	3.5
398.17151	14.5
408.19275	9.3
409.18030	4.8
410.17242	8.5
426.20438	15.2
434.17059	8.4
452.18298	58.5
453.18466	10.7
467.16971	5.3
468.17642	3.1
470.19339	53.2
471.19540	9.2
560.22577	20.5
561.22870	5.1
572.22449	6.7
573.22668	3.0
589.26538	5.4
614.23517	13.4
615.23773	14.9
616.23163	3.7
632.24597	100.0
633.25269	39.0
634.25549	5.4
777.29938	6.2
795.30927	56.6
796.31232	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	795.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01716	1.4
61.98838	6.2
62.96970	1.4
71.01367	3.7
82.95417	2.0
85.00417	3.7
89.02469	2.4
89.60262	1.3
96.99310	6.2
101.02467	1.3
141.01711	52.0
142.02063	1.4
142.05074	1.7
242.73111	1.4
255.23242	5.4
268.52737	1.4
337.23593	3.6
397.13486	9.3
415.14633	1.4
419.11411	1.6
437.12750	3.0
465.81366	1.3
590.27686	1.6
675.35217	2.8
705.59967	1.4
795.40314	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53354	16.9
71.01389	4.1
74.33712	3.0
79.95753	10.8
80.96519	42.6
94.98119	7.3
105.75133	3.5
122.97620	3.5
170.49246	3.2
221.84065	3.0
225.00819	6.3
296.39780	3.2
553.15472	3.6
674.03888	3.7
795.27808	6.0
795.42096	100.0
796.42603	28.2
828.36707	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	795.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.1
61.98838	0.3
65.03191	0.1
67.87653	0.1
70.85987	0.3
71.01391	0.4
73.02962	0.9
73.60796	0.1
74.23219	0.1
74.76237	0.2
75.00886	1.2
77.98005	0.1
85.02984	0.5
87.00890	0.2
89.02466	0.4
93.03468	0.2
98.82342	0.2
99.00890	0.3
99.92594	9.2
100.92616	0.6
101.02468	0.3
104.48540	0.2
113.02449	0.7
114.93435	0.4
115.00381	0.2
116.92874	100.0
117.01942	2.7
117.92884	5.8
119.05015	0.5
133.02934	0.2
135.04553	0.2
145.02953	0.3
145.80475	0.2
161.02457	0.3
163.04050	0.5
173.25481	0.1
176.31122	0.2
179.05670	0.2
191.05602	0.3
205.72139	0.2
211.07649	0.2
219.42607	0.2
219.82744	0.1
425.14587	0.3
595.55200	0.2
795.33630	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	17.9
61.98834	22.9
71.01366	7.8
81.03502	3.5
84.95127	3.7
85.00447	17.9
89.02438	8.1
96.96032	13.7
97.02993	7.7
98.21695	5.0
101.02425	7.4
106.13181	3.4
109.06617	35.5
111.08153	9.3
116.92877	13.1
117.92892	6.1
118.92665	6.1
118.96971	13.2
119.03490	5.0
119.94713	6.7
135.08194	3.5
148.22742	3.2
149.81081	3.7
163.11343	17.6
169.12395	5.0
181.12288	4.7
197.04913	3.8
197.11833	49.0
207.10281	100.0
208.10625	8.7
209.11829	4.0
211.13367	4.3
225.11383	35.0
229.17152	4.0
235.08179	10.3
253.09328	22.8
263.20264	4.7
279.53867	4.4
291.19666	15.5
309.20709	79.8
310.21182	6.9
384.65842	3.9
461.20352	11.9
753.40588	33.0
754.40625	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	796.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	14.0
61.98827	2.7
63.95060	1.4
69.03439	4.4
69.25753	1.6
69.26067	13.7
71.01384	9.0
81.03471	2.5
83.05038	3.5
85.00416	3.0
85.02955	3.2
87.00883	2.4
89.02439	5.1
97.02977	10.0
101.02451	4.2
101.54766	1.5
109.06604	32.5
110.06973	2.2
111.08183	5.2
113.02459	2.1
119.03477	1.9
121.06560	1.6
123.04575	2.2
123.08179	1.7
125.09726	1.7
135.08148	4.5
136.05254	1.9
161.04573	1.8
163.11293	17.2
169.12352	2.8
181.12352	6.1
189.09367	2.4
197.11824	31.3
198.12164	2.8
199.13446	2.4
207.10268	100.0
208.10617	6.8
209.11855	10.4
211.13464	2.9
225.11333	38.2
226.11575	1.8
227.12767	2.0
235.08240	6.3
244.38470	1.9
253.09294	25.1
291.19739	17.4
292.19821	1.8
307.19284	3.1
309.20718	61.7
310.20978	9.6
443.19308	7.9
461.20291	12.6
524.41779	1.6
545.29468	2.9
753.40741	34.8
754.41254	13.1
796.42712	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	797.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55149	0.5
59.01359	2.6
61.98824	1.4
63.02396	1.6
65.00297	1.7
72.95718	0.6
73.02891	0.7
74.27170	0.6
79.93056	0.5
83.01347	0.5
85.02940	1.3
89.02423	0.9
93.03464	1.5
101.02474	1.0
104.17791	0.5
107.01412	2.9
109.02950	0.7
113.02468	3.3
118.16685	0.6
119.05001	1.2
121.02967	0.7
125.52690	0.6
132.02177	1.8
133.02972	1.4
135.00848	1.6
135.04451	1.6
145.02974	2.1
151.00337	4.4
161.02451	1.5
162.81747	0.6
163.00365	1.4
163.03989	1.8
164.01225	0.9
178.99858	1.5
179.03430	1.0
183.04457	1.9
185.06090	0.8
187.04015	2.8
191.05602	1.6
197.06009	0.8
199.03896	1.0
211.04002	3.2
212.04510	0.6
213.05585	1.2
227.03508	48.0
228.03844	3.9
228.82849	0.9
229.05066	2.8
239.03447	1.2
240.04103	0.6
241.05051	0.7
251.07141	0.6
255.02991	93.0
256.03485	12.5
257.04526	3.7
283.02393	3.6
284.03268	100.0
285.03961	29.2
286.04468	2.4
309.04196	0.9
327.05203	0.9
333.06677	0.7
473.12311	0.6
507.75623	0.7
575.14038	3.2
737.19342	5.4
738.19299	1.0
755.20258	1.8
780.83868	0.7
797.21497	44.1
798.21704	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	797.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55149	0.5
59.01359	2.6
61.98824	1.4
63.02396	1.6
65.00297	1.7
72.95718	0.6
73.02891	0.7
74.27170	0.6
79.93056	0.5
83.01347	0.5
85.02940	1.3
89.02423	0.9
93.03464	1.5
101.02474	1.0
104.17791	0.5
107.01412	2.9
109.02950	0.7
113.02468	3.3
118.16685	0.6
119.05001	1.2
121.02967	0.7
125.52690	0.6
132.02177	1.8
133.02972	1.4
135.00848	1.6
135.04451	1.6
145.02974	2.1
151.00337	4.4
161.02451	1.5
162.81747	0.6
163.00365	1.4
163.03989	1.8
164.01225	0.9
178.99858	1.5
179.03430	1.0
183.04457	1.9
185.06090	0.8
187.04015	2.8
191.05602	1.6
197.06009	0.8
199.03896	1.0
211.04002	3.2
212.04510	0.6
213.05585	1.2
227.03508	48.0
228.03844	3.9
228.82849	0.9
229.05066	2.8
239.03447	1.2
240.04103	0.6
241.05051	0.7
251.07141	0.6
255.02991	93.0
256.03485	12.5
257.04526	3.7
283.02393	3.6
284.03268	100.0
285.03961	29.2
286.04468	2.4
309.04196	0.9
327.05203	0.9
333.06677	0.7
473.12311	0.6
507.75623	0.7
575.14038	3.2
737.19342	5.4
738.19299	1.0
755.20258	1.8
780.83868	0.7
797.21497	44.1
798.21704	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	798.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.69071	3.7
61.98835	25.7
70.02050	15.2
71.01977	3.3
74.00989	3.9
75.00864	7.2
78.98566	4.2
79.95717	8.4
80.96531	34.0
87.00874	3.3
94.98084	5.8
103.00409	7.9
103.01505	64.4
130.08769	4.5
131.07156	4.7
164.98615	8.5
201.12334	4.2
204.11349	3.0
225.00700	12.1
253.21693	5.5
352.96753	3.6
356.25516	7.4
427.28705	5.0
467.28598	4.3
498.15079	5.2
661.87280	3.9
694.44043	5.2
769.72968	4.4
780.38843	7.1
781.39838	7.4
796.45538	5.5
798.40051	6.5
799.41162	17.5
808.60577	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	799.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.8
61.98822	0.7
71.01392	3.4
71.30929	0.9
73.02957	0.9
83.01406	0.8
84.31549	0.6
85.02962	2.6
85.52650	0.5
89.02442	1.5
96.11681	0.7
96.96041	1.9
101.02467	1.6
113.02448	6.8
117.03513	0.9
119.05037	97.0
120.05374	5.5
121.02965	100.0
122.03277	3.4
132.05815	0.5
133.06607	1.6
135.04559	0.9
145.02948	8.5
151.23679	0.6
161.04572	1.8
161.06110	3.2
163.04021	79.8
164.04343	4.6
170.50052	0.6
177.05598	1.0
179.05626	0.9
181.05081	26.4
182.05363	1.0
187.04070	1.9
191.07124	0.9
205.05144	2.8
211.07603	0.7
223.06140	7.7
224.06403	0.7
235.06105	13.6
235.08269	1.1
236.06551	0.8
253.07191	9.4
265.07159	10.2
283.08270	11.3
284.08710	0.7
325.09329	11.3
325.13113	0.4
326.09570	1.2
343.10315	5.7
366.48566	0.6
433.33286	0.6
531.72809	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44010	0.6
59.01383	100.0
60.01712	1.4
60.24931	0.7
64.90244	0.6
69.03473	0.8
70.01431	2.7
70.47346	0.6
71.01386	24.3
72.99319	0.9
73.02950	22.6
73.70998	0.6
83.01387	6.9
85.02968	4.1
87.00902	1.1
89.02448	4.8
91.48005	0.6
95.01392	1.4
98.21779	0.7
101.02452	22.9
113.02460	10.4
117.03473	2.1
119.03539	3.5
119.05034	2.0
120.17159	0.7
131.03528	2.4
133.02966	0.7
135.04494	0.9
143.03549	3.0
145.02956	6.6
147.03081	0.7
149.04535	6.4
159.04482	0.6
160.61540	0.7
161.02539	1.5
161.04568	13.6
163.04037	2.1
168.98477	0.6
179.10661	0.6
187.04063	3.4
203.05580	4.2
221.06648	6.2
271.32147	0.8
325.09412	1.9
378.77481	0.7
402.26334	0.7
429.21268	4.9
551.10254	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.1
61.98833	100.0
62.98537	0.2
70.49506	0.3
78.41294	0.1
80.96506	0.1
238.91960	0.1
245.49615	0.1
299.43118	0.1
303.03128	0.1
470.99225	0.1
668.83398	0.1
726.20593	0.1
762.98932	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.8
61.98838	12.8
63.02403	2.1
64.53752	1.2
65.00324	1.7
69.03452	1.5
71.30698	1.6
85.02996	1.8
86.31234	1.5
86.32622	1.3
93.03484	3.1
96.96017	3.9
107.01398	4.2
110.02512	1.5
113.02455	2.9
132.02246	2.0
135.00894	1.6
139.31830	1.3
141.07140	1.5
145.02917	2.2
149.06300	1.4
151.00398	5.0
159.04572	2.8
163.00354	2.6
173.02386	1.7
174.03122	2.9
183.04538	2.7
185.06116	3.2
187.03967	3.8
189.05580	1.9
197.06061	2.1
199.04123	2.8
211.03992	4.5
213.05594	2.8
217.04922	2.0
227.03525	64.2
228.03906	4.1
229.05095	10.1
230.05367	1.9
239.03508	2.8
240.04251	2.1
241.05077	3.9
251.07498	1.5
255.02994	94.7
256.03561	12.9
257.04633	8.8
267.06601	2.1
268.07178	1.8
283.02518	8.4
284.00778	0.9
284.03271	76.0
285.04041	100.0
286.04294	8.1
293.04608	1.9
294.05438	1.5
298.04807	4.1
299.05496	9.7
309.07709	4.7
323.09167	4.1
338.07721	1.9
341.10468	1.7
353.10440	2.0
365.61179	1.5
401.14600	2.0
447.09402	2.3
471.12973	5.1
483.12973	3.5
485.14743	3.0
515.15717	3.5
623.32697	1.9
665.15149	5.2
771.19312	39.0
772.19568	11.8
783.19366	30.3
784.19989	7.9
801.20355	8.8
802.21112	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	803.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	11.8
61.98837	100.0
67.12061	4.4
68.98728	45.7
75.13066	4.6
77.72792	4.2
84.87225	4.6
96.95998	5.0
97.06573	5.1
98.21766	6.6
109.06596	11.0
113.02483	4.3
116.92901	4.8
126.31768	4.3
133.38890	4.2
148.05843	4.6
163.11372	5.6
171.10303	6.0
199.67459	4.2
207.10292	19.4
225.11331	13.5
253.09239	5.5
257.37891	5.0
461.20364	5.6
547.45905	4.6
625.29279	8.8
651.30444	32.2
652.30121	6.8
669.30957	9.2
670.31683	9.4
803.35907	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	803.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.6
58.00601	0.4
59.01386	100.0
59.78129	0.4
60.01702	1.1
61.98812	1.3
62.17986	0.3
67.66669	0.3
69.03463	0.5
69.65656	2.2
71.01385	12.0
72.99300	0.4
73.02946	2.8
79.01751	0.3
79.24840	0.4
81.03499	0.4
83.01386	1.0
85.02966	4.8
87.00873	0.5
89.02465	2.0
95.01389	0.9
96.96014	1.5
97.02944	0.5
98.21816	0.4
99.00891	1.5
101.02450	6.3
113.02470	4.8
125.02460	0.6
135.08199	0.5
159.03009	0.4
161.02402	0.4
161.04575	3.6
191.05609	0.4
197.11862	0.8
207.10136	0.7
209.11732	0.6
315.18127	10.9
316.18433	1.0
357.19196	2.1
401.21768	1.2
405.22409	0.4
785.33136	0.7
803.40063	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	8.5
67.51376	1.8
68.73529	2.0
70.23025	1.7
71.01370	3.9
71.31622	3.4
73.04436	2.0
76.51353	2.0
77.57220	1.8
82.02986	15.3
85.02956	5.2
85.18447	2.1
93.03420	3.8
96.04556	5.0
101.02444	3.0
106.06621	5.7
106.38041	1.9
108.04514	2.2
108.08201	10.8
112.04024	5.0
113.02445	2.8
119.05045	6.2
120.04550	5.5
122.02502	2.1
122.06059	3.6
124.03979	2.3
130.43842	1.9
133.03023	2.9
135.03325	2.9
136.04036	2.4
136.07626	5.1
138.05621	3.4
138.09248	4.1
145.02948	4.1
147.03326	2.5
148.04050	35.4
149.04834	12.8
150.05615	77.0
151.06000	2.7
152.07115	2.4
154.05092	4.0
157.02696	1.9
160.04063	6.9
161.04845	23.9
163.02705	6.0
163.03969	4.6
164.03487	13.0
173.03554	16.4
173.04814	3.8
174.04341	51.5
174.05626	4.9
175.05104	32.7
175.06442	8.6
176.05801	4.4
177.06702	2.3
180.06647	5.3
182.08284	16.6
186.05589	3.6
187.06352	8.7
188.07248	4.3
189.06705	19.8
190.04979	3.7
190.05540	3.0
190.07478	58.9
191.05727	6.9
191.08112	12.0
200.07159	8.9
201.07986	9.5
202.07393	7.5
202.09068	11.4
203.05983	4.3
203.08237	3.5
204.06718	4.6
207.05347	2.6
213.10420	2.5
214.05272	1.9
214.11130	6.9
215.08278	6.2
216.06818	3.3
216.08641	2.0
217.07417	7.7
217.09834	5.5
224.07056	2.6
228.06668	8.4
231.07693	15.5
232.08519	71.6
233.09276	32.6
241.09985	3.3
242.08130	4.6
242.10402	4.4
243.07643	18.2
243.11353	4.4
244.08104	31.4
245.06833	4.3
245.09241	36.9
246.07640	2.6
262.09592	4.0
263.10144	3.4
267.07703	2.7
268.08563	7.3
269.09274	7.1
270.07471	2.3
284.03223	2.5
285.08792	4.6
286.09650	19.1
287.07605	3.0
287.10394	22.5
287.13989	16.6
304.10529	3.4
305.11469	3.5
312.13620	6.9
331.13150	11.5
341.15195	2.7
370.17725	10.7
382.17798	6.4
396.15594	3.0
400.18607	2.3
406.17834	2.8
414.16537	11.3
424.18762	6.5
425.15015	2.4
426.16663	7.0
442.19806	21.6
449.15961	4.0
450.16669	7.9
451.16531	3.1
467.16962	4.4
468.17798	72.0
469.17618	9.5
486.18805	57.4
487.19095	8.8
510.85754	2.8
518.17743	3.0
576.21936	15.7
577.22498	2.8
588.21582	5.7
589.21600	2.9
605.25934	8.5
630.22809	12.4
631.23492	13.6
648.24170	100.0
649.24792	46.2
650.25610	5.4
739.27673	4.0
793.29529	6.0
811.30530	64.1
812.30939	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	811.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	6.0
63.81350	2.2
65.67326	2.4
69.60409	13.6
71.01389	2.9
82.02978	11.9
85.02995	2.2
90.33173	2.3
92.95820	2.4
96.04602	2.7
101.02354	2.6
106.06630	4.1
108.04530	2.9
108.08219	6.1
112.04051	5.8
113.02476	6.6
120.04511	4.7
124.03993	2.7
128.44012	2.2
135.03235	3.7
135.04453	2.5
136.07700	3.8
136.78395	2.9
138.09273	2.6
146.02444	2.5
146.82703	2.3
147.03305	3.1
148.04068	37.5
149.04813	10.4
150.04437	4.2
150.05611	62.5
154.05025	5.8
160.04028	6.4
160.07619	3.8
161.02475	2.5
161.04811	22.6
163.02731	5.3
164.03528	7.9
164.07014	2.2
173.03540	15.8
173.04826	3.5
174.04340	43.3
174.05652	3.4
175.05089	20.3
175.06425	5.7
180.06607	6.0
182.08215	8.7
186.05592	3.8
187.06332	7.0
188.07130	4.8
189.06718	17.7
190.05141	2.7
190.05525	3.1
190.07487	53.2
191.05811	3.3
191.08118	8.8
192.06656	3.2
200.07092	4.1
201.07881	5.1
202.07388	7.5
202.08936	4.7
203.06035	4.9
203.08145	2.6
204.06631	3.4
209.08322	2.4
214.11012	5.6
215.05901	2.9
216.06708	3.9
217.07465	3.6
217.09659	3.7
228.06747	4.6
231.07698	10.7
232.08511	50.9
233.09303	26.5
241.09875	2.9
242.08240	4.2
242.10498	4.2
243.07658	11.5
243.11511	3.6
244.08151	26.5
245.07018	4.1
245.09286	28.5
246.09790	3.4
262.09677	5.9
263.10104	2.8
268.08783	2.8
269.09177	2.9
286.09509	14.0
287.10358	14.1
287.13510	13.8
289.09497	3.4
304.10657	3.2
312.13510	5.0
328.16705	3.0
331.13074	8.9
338.11545	3.4
351.84262	2.4
356.12427	3.6
370.17795	10.3
382.17676	6.8
406.17651	2.7
414.16696	12.1
424.18643	6.6
426.16879	6.8
442.19971	19.0
443.20737	3.1
450.16525	7.3
458.47052	2.5
467.16858	3.9
468.17761	56.2
469.17694	7.9
486.18912	56.0
487.18961	7.8
576.21735	13.8
588.22363	5.8
605.25824	4.5
630.23169	11.4
631.23163	11.8
646.58942	3.0
648.24158	100.0
649.24774	47.4
650.25244	5.5
739.28461	3.4
770.51721	2.7
793.28601	4.8
803.08740	3.0
811.30249	56.8
812.30768	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.4
59.01375	7.9
69.56478	11.1
70.41852	2.5
71.01379	5.0
82.02982	19.1
85.02937	2.9
86.72292	2.4
93.03440	3.1
94.02993	2.6
98.68889	2.3
101.02442	2.8
106.06635	10.0
107.19092	2.2
108.04573	3.0
108.08213	10.3
112.04056	4.5
113.02450	5.9
119.05044	3.0
120.04565	5.0
122.06115	3.0
124.04105	2.4
135.03423	2.2
135.04544	4.3
138.09232	5.2
142.53560	2.3
148.04070	49.4
149.04828	14.1
150.05615	87.0
151.05945	3.8
154.05098	6.1
160.04031	5.8
161.04852	30.1
162.05603	8.0
163.02724	7.6
163.03995	4.4
164.03580	15.6
173.03554	20.4
173.04851	5.6
174.04352	57.7
174.05577	4.5
175.05103	34.9
175.06462	11.6
176.05885	4.2
180.06671	8.5
182.08205	12.2
184.72720	2.1
186.05626	2.5
187.06383	8.1
188.07138	4.8
189.06689	24.4
190.05074	3.6
190.07500	57.5
191.06003	3.8
191.08215	14.5
192.06671	3.2
200.07155	5.5
201.07932	8.1
202.07446	10.6
202.09000	4.6
203.05943	5.3
203.08290	5.2
213.10394	3.2
214.05125	3.1
214.11105	6.4
215.06117	2.6
215.08139	5.3
216.06841	5.4
217.07594	2.6
217.09839	3.0
228.06715	8.9
229.06895	2.1
231.07814	13.3
232.08539	86.6
233.09265	35.6
234.09584	3.3
241.09782	3.8
242.10619	3.8
243.07574	16.8
243.11357	4.1
244.08171	31.4
245.09286	44.7
246.09787	4.2
262.09610	5.4
263.10199	4.6
267.07779	5.3
268.08624	6.7
269.09360	6.4
270.07645	4.8
285.08847	3.4
286.09610	26.1
287.10388	23.4
287.14026	19.4
289.09506	4.1
304.10657	4.5
305.11401	3.3
310.92349	2.7
312.13565	5.4
331.12976	11.4
337.10858	4.1
338.11459	2.9
354.14594	2.9
356.13025	2.9
370.17795	12.1
382.17725	5.7
385.13931	2.5
396.15634	2.9
406.17950	4.7
414.16568	16.6
415.16821	2.9
424.18716	12.2
426.16913	6.2
442.19827	21.8
443.20477	2.7
449.90936	2.4
450.16754	5.3
467.17444	3.9
468.17773	67.4
469.17807	9.8
486.18826	67.2
487.19128	9.8
493.17935	2.5
518.18219	4.6
537.97620	2.3
576.22156	13.7
577.22528	5.3
588.22095	8.6
589.22479	3.1
605.26160	6.4
606.24933	2.9
630.23145	14.1
631.22784	14.4
648.24127	100.0
649.24805	49.1
688.63495	3.2
739.28278	6.7
793.28711	4.7
811.30359	61.6
812.30743	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.9
61.98832	3.9
69.25565	23.5
69.36658	2.7
70.05653	2.7
71.01387	3.4
82.02988	15.8
82.90035	2.5
84.95858	2.7
86.31417	2.8
94.02988	3.3
96.04598	2.8
104.31023	2.7
106.06640	5.7
108.08188	11.5
112.04018	6.0
117.03462	3.8
119.05017	2.9
120.04609	5.4
136.07675	4.5
147.03230	4.4
148.04051	40.5
149.04848	14.7
149.05925	3.1
150.05621	69.5
154.05101	7.3
160.04008	6.9
161.04822	23.5
162.05553	8.8
163.02730	5.4
164.03548	17.3
173.03557	16.9
173.04861	6.7
174.04349	53.0
174.05650	4.9
175.05116	27.8
175.06441	10.1
180.06668	4.6
182.08229	14.2
186.05565	8.5
187.06456	6.8
188.07159	5.3
189.06665	29.4
190.07483	70.3
190.09068	6.2
191.05931	3.7
191.08159	12.5
200.07193	3.4
201.07941	10.2
202.07382	9.6
202.09004	6.0
203.05959	6.7
203.08119	3.5
213.10202	3.2
214.11073	6.7
215.05798	3.3
215.08267	6.0
216.05042	3.1
217.07587	6.6
217.09772	5.3
228.06688	5.2
231.07764	13.2
232.08554	68.8
233.09232	35.1
242.08247	5.2
242.10619	3.6
243.07635	16.8
244.08177	32.9
245.07011	4.2
245.09277	26.7
263.10477	4.1
268.08609	7.2
269.09341	3.2
286.09561	19.5
287.10339	16.7
287.14005	13.7
289.09454	4.2
305.11380	3.9
310.34818	2.8
311.43985	2.9
312.13446	5.2
331.13043	8.9
333.14697	3.0
341.15240	3.1
356.12448	4.4
370.17673	10.9
382.17935	4.2
406.17844	4.2
414.16745	11.8
424.18729	7.2
426.16968	7.8
442.19925	14.7
450.16656	7.4
467.16180	5.2
468.17786	50.9
469.17706	11.4
486.18866	56.4
487.19223	7.2
544.89691	3.2
576.21942	11.1
588.21802	5.1
605.25970	7.9
611.78357	3.5
630.23029	6.9
631.23035	12.5
632.24152	3.4
648.24097	100.0
649.24841	40.4
793.28931	6.1
794.29230	4.9
811.16632	4.6
811.30609	60.7
812.30975	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	814.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.4
61.98834	100.0
67.59691	0.4
71.30408	0.6
78.95943	0.4
133.91904	0.4
815.50647	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.388
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08897	0.2
59.01388	0.2
61.98836	100.0
62.09718	0.2
62.98545	0.2
67.31744	0.2
71.01407	0.3
90.24735	0.1
94.09950	0.2
98.22616	0.3
101.02465	0.2
114.34593	0.2
116.92966	0.2
122.22354	0.1
145.52480	0.2
145.81142	0.2
152.46931	0.2
213.43044	0.2
234.66835	0.2
302.01297	0.2
439.11160	0.2
764.56934	0.2
791.75604	0.2
815.50342	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.3979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.3
61.98836	100.0
70.63672	3.4
76.85539	1.9
80.96530	4.8
88.98843	1.8
103.01566	1.7
104.80919	1.6
115.57499	1.7
146.67653	1.7
152.98677	1.6
158.07365	1.5
207.10318	4.5
225.11137	2.2
335.22321	4.7
815.49976	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	815.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.1
63.96236	2.1
69.03482	1.2
69.77700	2.8
71.01385	10.8
73.02941	2.2
78.95914	1.1
78.98592	8.0
79.95745	18.2
80.96525	100.0
81.03457	1.1
85.02959	4.0
87.00889	3.2
94.98094	21.7
96.96035	1.6
97.02975	1.6
98.21848	1.0
99.00877	1.2
99.55791	0.8
101.02415	3.6
106.98096	4.1
111.00574	0.7
111.62505	0.7
122.97603	4.1
125.02446	2.5
127.04053	1.6
132.45634	0.7
134.97606	6.6
136.99130	0.9
137.59880	0.8
141.01704	1.3
147.36137	0.7
148.99158	8.3
152.98645	7.8
164.47758	0.7
164.98631	13.5
206.99707	2.6
225.00748	15.6
255.23299	1.9
398.37759	0.8
405.77371	0.8
434.68463	0.7
537.27802	1.6
559.26501	1.3
576.00891	0.8
815.49939	91.2
816.50305	27.6
816.66095	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	816.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
60.36264	0.2
61.98833	100.0
62.98539	0.2
63.99266	0.3
80.96538	0.3
197.29837	0.2
341.48904	0.2
344.72577	0.2
542.52911	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	9.0
61.98835	100.0
62.98534	0.2
71.01403	0.2
80.96519	0.3
89.02429	0.2
91.85382	0.2
96.35989	0.1
96.99348	0.2
98.21818	0.5
101.02489	0.2
103.01525	0.2
113.02501	0.2
141.01724	4.2
154.33977	0.2
277.21841	0.6
359.22083	0.4
383.31668	0.2
397.13577	1.1
437.13028	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.403
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
62.98552	0.2
68.23767	0.1
80.96514	0.2
103.05559	0.1
118.56456	0.1
135.11969	0.1
138.69614	0.1
163.39674	0.1
185.12032	0.1
194.31854	0.1
213.16507	0.1
225.00975	0.1
280.95309	0.1
373.20956	0.1
375.13199	0.1
816.50702	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	1.0
59.01093	1.1
59.01382	18.0
69.12521	1.9
69.12944	2.6
71.01384	13.6
72.99297	1.2
73.02930	0.6
80.05052	1.1
83.01365	0.9
85.02940	3.3
87.00904	0.7
89.02449	15.8
92.80268	0.4
95.01402	1.0
96.04549	2.3
96.96017	0.9
98.21780	0.8
99.00921	0.5
101.02446	10.0
113.02451	6.9
117.03448	0.5
119.03501	7.2
119.05009	1.8
121.02974	4.7
131.03537	0.8
143.03493	1.0
145.02960	1.4
149.04616	0.5
161.04451	0.7
161.06120	0.5
163.04013	2.2
166.08757	0.6
179.05537	1.5
179.07037	0.4
181.05014	1.4
182.08244	1.3
182.93321	0.5
283.08218	0.6
319.62500	0.5
326.12515	0.8
344.13498	100.0
345.13867	10.6
346.13895	0.6
365.98096	0.5
371.46667	0.5
427.84720	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	9.0
61.98836	100.0
71.01372	12.3
82.10985	8.4
96.32128	6.9
96.96006	8.6
101.00469	7.0
109.06611	12.6
132.83727	7.0
148.32677	6.1
163.11334	9.1
171.10204	7.7
193.81482	7.7
207.10298	46.0
225.11229	14.9
225.15089	9.0
235.08353	11.5
237.24467	7.3
253.09248	16.7
341.23346	67.1
461.19983	11.1
512.58069	8.3
596.68610	7.9
785.43176	32.0
821.40143	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	13.8
61.98835	100.0
68.69788	6.4
85.39104	6.1
93.90975	6.6
97.02953	8.4
97.94895	6.0
109.06593	12.0
113.02437	7.0
119.84610	6.2
156.13971	6.5
166.12199	6.1
169.41666	7.0
207.10338	54.2
223.44402	7.2
225.11263	22.8
235.08185	8.2
253.09085	12.9
341.23322	65.7
342.23425	10.5
529.33661	16.5
577.32123	8.2
763.62817	8.0
785.43585	31.8
786.43091	10.2
821.39758	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	823.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.2
61.98835	4.4
65.30386	2.6
71.01392	13.7
73.02937	2.5
87.00881	4.8
89.02483	7.0
97.06590	15.4
101.02463	7.8
110.28189	2.2
113.02446	3.2
119.03525	2.4
123.08205	7.2
125.08820	5.4
125.09733	100.0
126.10091	4.6
143.03491	2.5
169.08769	3.0
187.09773	59.8
188.10167	3.8
221.06783	5.0
229.53212	2.6
255.23303	16.4
329.79224	2.5
372.69025	2.4
387.12283	2.6
399.03058	2.2
443.38498	2.6
443.97061	3.2
585.23743	6.8
664.00562	2.5
732.62665	2.7
823.46991	95.7
824.47455	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	59.8
62.99786	2.0
69.12644	23.9
69.12988	5.0
69.94968	2.2
71.01385	45.5
73.02956	62.6
83.01389	15.2
85.02974	9.8
87.00871	3.2
88.04197	2.9
89.02464	2.7
92.06297	2.6
97.02974	2.8
101.02463	35.3
113.02470	20.6
117.03511	6.1
119.05028	8.4
121.02974	100.0
122.03318	4.4
123.04548	3.7
125.02483	6.0
135.04521	34.9
143.03529	5.6
145.02962	22.4
147.04543	8.1
161.02548	3.2
161.04616	5.5
161.05983	2.7
163.04010	28.5
165.05577	7.1
187.03986	6.3
191.05670	4.1
203.05624	8.6
205.08553	2.6
211.07793	3.1
284.03366	3.2
325.09265	9.0
403.12814	3.7
472.20883	3.0
478.78113	3.0
832.76471	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	825.4399
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15710	2.9
59.01385	100.0
61.98824	5.2
64.32130	2.9
66.10073	2.9
71.28413	4.8
103.00432	4.0
103.01505	51.7
114.73044	2.9
124.60793	3.0
130.76086	3.7
133.76559	2.9
153.51381	3.0
159.05783	3.6
265.67215	3.9
431.00717	3.3
455.58054	3.2
672.90875	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	825.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	59.2
68.98795	34.2
68.99209	89.6
78.95834	9.9
88.98810	25.6
95.44601	12.2
129.10374	20.8
191.21687	10.8
207.15042	16.0
217.33932	12.8
323.35645	11.2
666.43005	12.9
782.52087	100.0
783.52228	38.8
856.32178	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	827.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.5
67.99249	1.6
74.02472	2.9
85.02976	2.0
87.00864	1.6
107.01396	3.3
109.02969	2.8
113.02473	3.8
121.03028	1.7
131.07185	3.2
135.04590	2.0
145.02983	1.9
151.00363	8.5
163.00357	1.8
175.04131	2.0
178.99828	6.0
183.64645	1.7
191.05624	1.8
227.03609	2.0
243.03091	5.1
245.09369	4.9
255.03058	17.2
271.02499	36.3
272.02957	3.7
300.02771	73.6
301.03439	31.8
302.03873	2.6
305.64368	1.8
339.77649	1.8
465.93539	1.9
579.69092	1.9
609.14636	100.0
610.14893	20.1
617.93500	2.1
750.44476	1.9
790.21533	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	827.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49426	0.4
59.01385	100.0
60.01727	1.1
71.01390	9.1
73.02962	3.6
75.99270	0.4
82.18002	0.5
83.01397	1.0
85.02962	3.8
89.02441	3.6
95.01433	0.7
98.21736	1.2
99.00908	0.5
101.02446	6.2
113.02452	3.5
119.03534	1.6
143.03516	0.4
144.49142	0.5
149.04500	0.7
161.04590	3.0
179.05698	1.0
182.27345	0.5
203.05701	1.4
229.06412	0.6
243.68553	0.4
284.61420	0.4
371.20782	2.3
413.21701	3.0
414.22299	0.8
497.63123	0.4
582.42871	0.5
589.85870	0.5
591.46747	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97956	1.0
59.01385	100.0
60.01717	1.1
63.66738	0.8
70.97916	1.0
71.01382	23.0
71.08482	1.2
71.08787	1.0
73.02952	7.5
83.01399	3.2
85.02953	8.0
87.00880	1.5
89.02445	6.7
93.89130	0.9
95.01379	1.9
97.02951	1.6
101.02448	11.6
113.02460	11.8
119.03518	2.1
119.05016	1.7
123.08175	1.2
133.02953	8.0
134.03746	0.9
135.04553	7.6
135.08171	1.6
136.05327	1.5
137.09769	1.4
138.05817	1.0
138.06885	6.4
139.07668	2.2
145.02916	1.1
151.07687	6.1
152.08437	14.2
153.09229	37.2
153.10487	1.9
154.09529	2.1
161.02461	24.6
161.04593	3.4
161.09776	1.3
162.02840	1.4
177.05592	2.2
179.03494	8.7
179.10791	6.4
187.04073	1.1
190.10056	1.7
203.03516	4.5
203.05481	1.9
205.12350	18.7
206.12759	1.0
221.04503	1.7
223.13416	10.6
240.44638	0.9
251.05653	1.4
281.06699	1.9
341.08771	14.8
358.10519	1.4
358.15085	32.4
359.15463	4.2
367.17599	46.0
368.17905	6.5
385.18787	5.5
403.95703	1.0
427.19748	39.7
428.19861	5.3
439.12491	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	831.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	64.7
60.40398	1.6
61.89342	1.7
61.98824	2.3
66.16969	1.6
66.58298	1.4
69.03451	4.3
70.33648	3.0
71.01385	48.6
72.99302	3.8
73.02950	8.7
75.00861	1.5
80.02687	2.9
81.03456	11.0
82.97644	1.6
83.01387	6.6
83.05023	9.2
83.08691	1.6
85.02946	12.6
87.00895	9.8
89.02451	28.1
93.03495	4.5
93.63326	1.4
95.01356	3.9
95.05032	7.1
97.02950	23.3
97.06616	10.7
99.00903	4.4
101.02448	27.8
105.92982	1.6
106.04265	1.8
107.05022	2.5
108.02182	3.3
109.02959	2.6
109.06601	46.4
110.03745	2.7
111.00881	2.2
113.02464	16.0
119.03511	5.6
121.06610	4.1
123.08177	4.5
124.01647	1.5
125.02468	8.7
125.06137	1.7
125.09737	34.7
126.10088	1.8
132.57162	1.6
135.04565	3.1
135.08189	8.2
136.05327	3.2
141.01942	1.8
142.02715	4.1
143.03531	3.7
145.10252	2.0
147.04518	1.7
161.04578	2.6
161.06029	2.0
161.09714	5.9
163.11308	28.1
164.11658	2.7
171.10344	1.9
175.11285	5.1
179.05602	6.0
181.12308	8.6
185.11867	3.4
187.09772	16.9
189.09174	2.1
192.39592	1.6
203.10715	3.2
207.10275	95.3
208.10617	7.9
209.11829	24.0
210.12273	2.4
219.10233	4.5
219.13918	3.9
221.06671	8.4
221.11652	1.7
223.09782	5.2
223.13474	2.3
225.11327	54.0
226.11658	3.6
229.12427	1.8
235.08214	3.2
235.13330	2.3
237.11334	5.9
245.11775	3.3
263.07800	2.1
263.12808	10.6
265.10825	2.0
289.14359	1.7
311.49106	1.6
325.21799	1.8
327.19550	3.2
345.20532	3.4
353.17575	2.3
353.21359	2.8
361.20157	3.2
369.20627	4.5
371.18607	4.7
371.22586	2.5
379.20602	2.2
387.21808	6.3
389.19489	8.6
390.20380	2.0
397.13687	15.4
397.19519	9.6
398.19769	1.7
405.22659	4.3
415.14920	3.8
415.21304	17.5
433.22333	10.8
567.22729	2.9
605.24146	3.3
623.25348	7.6
624.25500	2.3
759.34290	3.6
769.32892	15.7
770.33270	5.8
785.36029	6.9
786.37256	2.0
787.34143	27.3
788.33856	9.9
795.34467	14.5
796.34894	3.1
803.37158	2.2
813.35541	100.0
814.35773	26.9
831.36755	49.2
832.36871	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	832.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	1.9
59.01386	96.4
60.01715	1.2
68.55140	0.5
71.01389	17.3
72.99330	1.3
73.02948	3.9
83.01393	4.5
85.02966	8.0
86.00091	1.1
87.00902	1.2
89.02460	9.6
95.01421	2.6
98.21747	1.3
99.00931	1.8
101.02454	14.7
113.02467	8.0
115.23820	0.6
119.03549	3.5
123.08192	2.9
135.04538	0.6
137.09770	1.1
143.03539	0.9
145.03053	0.8
161.04584	2.0
163.11328	2.4
179.05701	0.9
180.10367	2.3
189.12860	5.0
196.09898	0.8
207.13951	4.2
211.07683	1.0
238.10892	1.1
268.11810	0.9
298.13068	2.7
358.15091	100.0
359.15466	10.6
387.20175	1.9
429.21292	6.7
430.21704	0.8
439.11960	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34612	0.4
59.01391	0.4
61.88472	0.3
61.98835	100.0
65.37190	0.3
65.41370	0.3
68.88818	0.4
70.42404	1.0
70.96418	0.3
75.20896	0.3
100.92813	0.4
135.47441	0.3
139.13052	0.3
149.85764	0.3
156.98997	0.3
161.33398	0.3
272.65353	0.3
449.08481	0.4
828.81683	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	0.9
59.01385	25.7
61.98832	3.7
64.32529	0.8
69.03459	2.5
70.80923	0.8
71.01387	20.8
72.99326	1.8
73.02944	2.6
80.02697	3.2
81.03469	4.2
83.01402	2.2
83.05036	9.3
84.02171	1.7
85.02962	5.3
87.00894	6.4
89.02457	17.1
89.03017	0.9
91.04060	0.9
93.03468	2.5
95.01357	1.9
95.05042	2.4
97.02957	9.6
97.06622	1.3
99.00897	2.4
101.02449	13.2
109.06601	22.8
110.03773	1.1
110.06939	1.4
111.04556	2.3
113.02454	7.1
119.03511	5.3
121.02976	1.1
121.06650	2.2
123.04541	1.5
123.08192	1.3
124.01628	0.7
125.02449	4.6
125.06107	1.1
125.09760	3.3
129.01920	0.8
133.02983	2.4
134.03752	1.1
135.04591	1.3
135.08173	4.3
136.01695	1.3
136.05302	1.6
137.02489	1.0
141.01990	1.0
142.02751	2.2
143.03540	1.3
161.04616	3.0
161.09750	1.8
163.11305	17.5
164.11554	1.3
165.12915	3.7
171.10291	2.7
177.01961	1.4
179.05695	4.4
179.10878	1.9
181.12383	4.6
187.09760	1.5
189.09290	1.4
191.10860	1.3
197.11989	1.0
199.13548	1.0
201.11426	1.4
207.10283	63.4
208.10637	4.5
209.11847	100.0
210.12126	6.1
211.13333	0.9
217.12219	1.0
221.06798	2.9
221.11952	1.6
223.13464	1.3
225.11325	30.3
225.13515	1.5
226.11710	3.6
227.12921	12.3
228.99895	0.9
231.10463	1.1
234.74197	0.9
235.08267	4.4
235.13579	1.1
243.12334	2.2
243.70209	0.9
245.11832	1.4
247.13545	1.3
249.11343	1.0
263.12943	2.3
265.14539	1.1
299.15015	0.9
364.24490	0.9
379.12463	2.2
397.13577	21.7
398.14029	2.2
399.21918	2.6
415.14539	7.7
416.15051	1.8
417.22870	4.9
435.24078	2.6
592.52698	0.9
605.24689	3.4
623.25598	6.4
624.25751	1.4
787.37622	1.0
797.36200	10.2
798.36279	2.7
815.37207	17.9
816.37836	4.3
833.38141	27.7
834.38318	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	835.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	2.5
61.17072	0.3
62.18295	0.3
71.01389	5.2
71.29210	0.6
73.02943	0.6
81.03465	0.5
83.01363	0.4
85.02962	1.1
89.02466	1.1
93.03472	1.7
95.01368	0.3
98.32615	0.3
99.00901	0.4
99.04521	0.8
101.02430	1.9
108.02196	0.3
113.02453	1.1
115.00403	1.7
117.03483	22.4
118.03775	0.6
119.05045	78.7
120.05377	2.9
121.02977	6.8
123.04546	2.1
133.02963	1.5
134.03725	0.8
135.04526	0.7
145.02974	32.8
146.03319	1.8
161.04622	0.4
162.03236	1.9
163.04028	100.0
164.04358	5.0
191.05672	0.3
210.06932	0.6
211.07669	3.5
212.08029	0.5
229.08792	0.4
229.46393	0.3
231.10268	0.4
237.09229	0.8
265.08716	0.4
279.10983	0.7
361.11343	3.0
377.10938	0.8
409.15067	31.0
410.15436	3.8
425.14584	92.1
426.14893	11.1
426.20700	0.5
540.30408	0.3
548.54279	0.3
573.19769	0.8
835.30444	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01718	1.4
69.09224	2.0
69.09645	1.4
69.87334	0.3
71.01383	10.5
72.01768	0.4
72.99359	0.4
73.02950	3.2
83.01401	1.1
85.02953	5.2
89.02477	1.4
93.03486	0.5
95.01395	0.7
97.02958	0.5
99.00887	0.9
101.02451	7.2
113.02460	4.8
119.03526	0.6
129.01978	0.4
135.04538	0.4
143.03540	0.7
145.03018	0.4
151.75578	0.4
157.66119	0.4
159.03044	1.2
161.04585	4.3
163.04047	0.4
169.12302	0.4
191.05688	1.2
313.16599	0.7
329.13422	0.4
331.17627	12.2
332.18005	1.1
373.18652	11.3
373.23447	0.5
374.19193	1.3
417.17767	0.4
444.11349	0.4
496.16394	0.4
496.54965	0.4
513.36206	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01711	1.0
71.01388	12.0
73.02955	5.9
83.01382	1.9
85.02959	5.7
87.00853	0.5
89.02442	1.3
90.15714	0.3
95.01390	1.0
95.12137	0.4
95.43382	0.3
98.22614	0.7
99.00901	1.1
101.01807	0.7
101.02454	9.9
113.02459	5.9
119.03500	0.8
123.82835	0.3
125.02429	0.6
143.03458	0.6
149.04510	0.9
151.07643	0.5
159.02956	1.2
159.47392	0.3
161.04572	5.9
203.05336	0.3
221.06572	0.4
279.12411	0.7
301.90442	0.4
319.80405	0.4
331.17645	11.8
332.17972	1.6
357.27750	0.4
373.18643	10.6
374.19012	1.2
728.61884	0.4
760.67480	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00611	1.1
59.01385	100.0
60.01727	1.0
68.09980	0.4
69.03471	1.1
69.14203	3.7
71.01389	33.1
72.01733	0.7
72.99325	1.8
73.02953	41.7
74.03307	0.7
75.00874	1.0
78.25378	0.3
83.01394	12.2
83.35664	0.4
85.02965	5.5
85.14433	0.4
87.00909	1.1
89.02451	7.6
95.01423	1.7
97.02998	0.8
98.21797	1.0
98.35775	0.4
99.00934	0.6
101.02457	42.4
113.02464	15.0
113.03268	0.5
114.02852	0.6
117.03738	0.4
119.03522	6.7
125.02444	1.8
131.03531	4.2
143.03522	4.8
147.03094	0.7
149.04559	7.5
149.05644	0.4
150.04865	0.5
155.03555	1.5
161.04576	14.4
161.05856	0.7
161.75336	0.4
179.05728	0.8
197.65337	0.4
203.05745	1.7
221.06691	4.3
239.42542	0.4
255.89404	0.5
331.17883	0.7
373.18887	1.4
765.04974	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.86644	1.5
61.71790	1.6
62.19009	1.4
65.00323	2.1
69.63008	7.6
71.84827	1.5
107.01388	5.2
117.03500	1.9
135.00905	2.3
138.05554	1.8
151.00352	5.1
163.00465	2.0
187.03987	2.7
211.03987	2.7
227.03519	49.4
228.03894	4.4
229.05046	3.1
247.91373	1.7
255.02992	85.1
256.03494	13.3
257.04401	3.0
283.02469	3.2
284.03281	100.0
285.03940	31.5
286.04340	2.9
432.25562	1.6
585.56470	1.7
731.84039	1.8
797.21527	64.6
798.21759	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	845.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85891	0.2
60.26756	0.2
61.98835	100.0
62.98543	0.2
70.20405	0.2
79.30350	0.2
98.21742	0.5
109.79277	0.2
129.10373	0.4
150.65941	0.2
181.83545	0.2
207.15067	0.4
224.17680	0.4
241.13411	0.2
242.18822	0.4
261.76135	0.2
295.21457	0.2
337.26224	0.2
549.95837	0.2
734.70941	0.2
782.52026	4.1
783.52118	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	847.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	17.3
61.98835	1.9
63.66773	0.7
69.03461	6.1
71.01389	15.3
71.05016	1.9
71.29876	1.0
72.72131	0.7
72.99317	1.2
73.02940	2.3
73.03345	0.7
80.02684	0.8
80.54144	0.8
81.03455	2.1
83.01395	1.9
83.05037	2.2
85.02957	4.2
87.00897	2.7
89.02451	8.4
93.03480	1.4
95.01410	2.6
95.04995	0.9
97.02972	5.9
97.06601	1.1
99.00916	2.0
101.02459	8.8
109.06600	15.3
110.03774	0.8
110.06958	0.9
111.00916	0.8
111.04568	1.5
113.02459	5.5
113.50084	0.8
119.03526	1.9
121.02973	1.0
121.06622	1.5
123.08168	1.9
125.02486	2.4
125.09725	4.0
133.02994	1.2
135.08205	2.9
142.02750	1.5
145.02972	0.9
151.11299	3.3
153.12837	1.3
161.09738	4.6
163.11287	8.2
163.12354	0.8
179.10762	7.0
181.12422	3.8
185.11780	1.2
188.60847	0.7
191.05621	1.0
197.11844	51.4
198.12224	2.7
207.10271	23.1
208.10681	2.1
209.11951	1.3
221.06676	2.7
225.11328	10.0
226.11853	0.9
235.08255	0.8
241.10762	4.7
243.12341	0.9
397.13568	2.5
461.20245	0.8
559.26111	0.8
621.24500	0.9
639.25073	2.4
699.11804	1.0
785.34723	0.8
803.37939	1.2
829.35425	1.0
847.36072	100.0
848.36407	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96229	2.8
69.80289	4.1
71.01386	10.9
73.02946	2.6
78.98591	10.8
79.95737	21.4
80.96526	100.0
82.96122	2.3
85.02962	3.2
86.01158	1.3
87.00900	2.5
94.31905	1.2
94.98099	25.9
96.95995	2.0
97.02959	1.6
101.02435	3.2
102.82409	1.3
104.17702	1.3
106.98119	1.7
108.92207	1.3
122.97608	5.7
125.02415	2.0
126.50374	1.2
134.97609	8.1
135.84904	1.6
136.99129	2.6
148.99156	6.9
152.98660	4.0
164.98631	12.3
203.82124	1.4
206.99696	1.9
217.32317	1.4
225.00806	13.5
330.26950	1.4
352.34247	1.6
543.63232	1.7
847.48828	33.5
848.49115	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	849.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	21.1
59.07270	1.7
59.57582	1.5
59.94428	1.9
60.80422	1.9
61.98823	1.7
63.84949	1.7
69.01564	4.1
69.01965	15.8
69.03455	5.7
69.17310	2.1
71.01388	21.2
71.05008	3.4
73.02955	3.8
83.01401	2.2
83.05018	4.5
85.02961	6.4
87.00896	5.9
87.48851	1.6
88.92651	1.8
89.02456	12.9
95.01414	3.7
95.05048	2.1
95.67110	1.7
97.02974	3.9
101.02432	16.6
109.06633	3.1
113.02454	9.6
119.03535	2.6
125.02456	3.1
125.09696	2.3
130.70563	1.7
133.03076	1.8
145.02965	2.6
148.14992	1.7
149.04335	1.5
151.11345	1.8
153.12901	2.3
161.04698	2.3
161.09795	4.2
163.11346	6.2
171.10327	5.7
179.10822	4.1
181.12431	2.0
196.51280	2.1
197.11848	61.9
198.12222	5.1
199.13376	2.3
207.10339	7.8
207.62328	1.9
209.11859	43.1
214.21533	1.8
221.06697	3.0
223.09821	3.0
225.11380	6.8
227.12866	4.6
237.08147	2.1
241.10847	3.5
275.75385	1.8
376.40387	2.0
382.11716	1.9
397.13663	3.9
415.15039	2.4
638.76910	2.2
810.41931	2.5
831.35461	2.4
849.37769	100.0
850.37811	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	851.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.8
62.18279	0.6
69.11241	0.4
70.44041	0.4
71.01394	4.9
73.02955	0.6
81.03452	1.1
85.02958	2.0
87.00906	0.6
89.02462	1.5
93.03469	1.7
99.04535	0.9
101.02453	2.3
106.06617	3.2
113.02462	2.2
114.98168	0.4
116.30025	0.5
116.91952	0.5
117.03480	15.5
118.03798	0.5
119.05042	64.9
120.05362	3.0
121.02986	3.4
123.04526	0.8
131.16560	0.4
133.02972	1.4
134.03781	0.5
135.04544	1.3
139.35866	0.5
145.02971	44.3
146.03287	2.7
147.04530	0.7
150.05637	2.8
159.04485	0.5
161.02466	1.0
161.04552	0.5
162.03117	0.4
163.04027	83.9
164.04382	3.8
165.05609	1.0
179.03470	0.6
187.03969	0.5
191.05669	0.5
195.08139	0.9
201.09221	0.6
207.06651	0.6
211.07603	1.0
223.07687	0.9
227.07074	2.6
229.07524	0.8
237.09273	2.2
239.10815	1.0
263.09415	0.7
265.08838	2.1
283.09885	0.9
309.07791	0.7
328.09357	0.5
332.32477	0.5
398.11249	0.7
425.14590	100.0
426.14902	12.3
545.20526	1.0
560.15924	3.5
571.18164	6.3
572.18280	1.3
589.19269	1.2
851.29938	1.7
852.30548	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.8
62.32736	0.6
69.03516	0.5
69.23264	3.1
69.23676	1.8
71.01385	49.1
72.99287	0.8
73.02950	3.9
81.03472	5.7
83.01380	1.2
84.02184	0.9
85.02940	5.2
87.00878	0.7
89.02455	3.8
93.03458	3.9
95.01383	0.7
98.22816	0.6
99.00867	2.8
99.04519	8.2
101.02444	9.5
111.04572	0.8
113.02449	6.5
115.00381	38.1
116.00697	1.0
117.03449	4.9
117.05586	2.2
119.03585	1.4
119.05035	27.6
120.05368	1.2
121.02953	0.8
123.04548	1.6
131.05043	1.2
133.02943	0.7
135.04543	1.3
139.04060	0.7
143.05019	1.9
145.02960	15.4
145.06622	1.8
146.03300	0.7
153.05479	0.6
157.41792	0.6
158.03706	0.8
159.02989	2.5
159.04471	1.5
161.04579	10.9
163.04016	32.7
164.04355	1.7
171.04521	0.7
178.13799	0.7
179.03481	0.9
197.04536	0.8
209.06059	0.9
210.06859	11.5
211.07645	100.0
212.07965	6.6
223.07668	1.9
235.07674	1.3
236.88138	0.5
237.09196	6.4
238.09801	1.2
239.10809	1.5
250.06375	0.6
253.08598	2.8
261.09796	1.9
265.08688	10.3
266.08939	0.8
279.10846	40.4
280.11230	2.7
283.09808	1.3
291.06760	1.4
309.07687	6.6
310.07959	0.8
327.08578	1.5
359.09833	9.2
377.10876	47.5
378.11322	4.8
379.12326	0.8
425.14529	35.0
426.14853	4.6
545.20148	3.3
571.18286	6.9
572.18506	1.0
589.19250	7.6
590.19147	1.5
639.21320	1.4
653.89948	0.8
766.51624	0.6
818.49805	0.7
836.95813	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.3
60.48329	0.3
63.69091	0.4
69.09854	1.5
69.10277	1.6
71.01395	2.9
73.02953	0.5
81.03457	1.2
85.02957	1.3
89.02477	0.4
93.03462	1.0
98.22492	0.8
99.04535	1.1
101.02444	1.1
107.57561	0.4
113.02453	1.0
117.03485	15.5
117.21367	0.4
118.03754	0.4
119.05041	78.1
120.05369	2.8
121.02955	2.3
123.04523	0.7
133.02979	0.6
135.04573	0.5
145.02972	42.8
146.03311	2.2
163.04033	91.0
164.04373	5.3
187.35402	0.4
237.39815	0.3
253.34238	0.4
425.14578	100.0
426.14902	13.2
752.53674	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23950	22.5
69.27921	4.3
71.01389	81.3
73.02950	88.8
75.00894	4.8
83.01392	29.6
85.02979	18.3
87.00862	6.1
89.02438	16.1
98.21789	6.8
101.02454	100.0
113.02456	50.0
119.03490	7.2
131.03497	12.8
133.02945	14.1
135.04539	11.4
143.03439	6.2
145.02884	4.2
149.04572	24.9
151.18687	3.8
155.03532	4.1
161.02444	20.3
161.04550	37.2
179.03496	11.1
203.03523	6.1
203.05429	5.4
221.04657	6.2
221.06659	17.6
241.67320	3.8
265.67181	4.1
275.57361	3.7
334.81332	4.1
341.08728	8.9
429.12094	4.3
439.12265	6.0
625.34290	4.6
883.37952	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	859.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01705	11.1
69.27344	31.0
69.27753	9.7
71.01385	91.5
73.02941	27.6
75.62408	5.5
83.01408	7.7
85.02957	45.7
89.02457	17.8
89.15149	5.2
95.01351	4.9
96.04549	6.4
98.21729	8.2
98.69045	5.3
99.00882	6.7
101.02463	50.6
111.00861	7.3
112.18200	4.5
113.02459	100.0
117.03497	12.7
119.03509	6.0
119.05009	25.3
123.08167	41.4
129.01973	11.8
136.99023	4.9
137.09760	14.3
137.24034	5.8
143.03546	5.7
145.02968	41.8
145.91840	5.2
161.04611	39.0
163.04030	19.0
163.11301	32.5
187.03932	5.5
189.12880	49.6
190.13124	5.6
193.12354	12.8
207.13925	69.6
210.06879	7.4
211.07594	32.0
225.14943	16.6
265.08859	6.8
327.08862	5.7
344.13623	6.5
387.14120	14.5
387.20200	19.0
429.21274	89.6
430.21625	9.7
437.10968	7.4
535.15778	4.9
697.22217	21.0
698.21509	15.9
740.21613	8.1
753.70093	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	861.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03454	0.9
69.26947	2.7
69.27370	3.6
70.02952	1.0
71.01386	3.3
74.02470	3.8
83.01385	1.7
83.28581	0.8
85.02965	5.1
86.75975	0.8
89.02444	1.8
93.03455	3.0
95.01396	0.9
97.02899	0.9
99.00894	1.1
101.02431	2.2
107.01413	2.0
109.02953	1.0
111.00881	3.3
111.04488	0.8
113.02464	9.2
115.00412	1.1
116.05049	2.1
117.03449	1.2
119.05037	3.8
121.02929	1.8
125.02435	0.8
127.04037	1.0
129.01935	6.8
129.96213	0.8
131.05078	1.1
132.99838	0.7
139.00394	1.1
145.02945	4.1
147.04539	3.1
151.00360	7.2
161.06021	1.3
163.00349	2.2
163.03996	1.8
165.05521	2.5
178.99883	4.1
179.05603	1.1
201.05653	0.8
203.08269	3.8
207.06560	1.4
210.06898	1.6
211.03995	0.8
211.05873	1.4
211.07663	17.0
212.07922	1.0
215.03333	1.0
219.10304	0.8
227.03497	1.5
243.02940	6.5
245.09314	10.0
246.09702	0.9
255.02992	16.6
256.03314	1.3
265.08716	1.8
271.02490	35.7
272.02896	4.5
291.07175	2.6
300.02756	72.2
301.03461	31.6
302.04095	1.8
309.07501	1.5
323.05447	0.8
326.06387	0.8
327.08655	4.7
369.09787	1.4
397.40070	1.0
429.11957	1.1
489.14069	1.3
601.15759	2.4
609.14587	100.0
610.14899	16.1
643.17139	1.1
699.21075	0.9
780.09503	0.9
824.55432	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	861.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
67.33321	3.6
68.43482	3.8
69.54022	22.9
71.01386	41.5
72.99298	3.8
73.02947	45.4
82.01179	4.4
83.01405	16.0
85.02956	34.7
87.00898	4.5
89.02441	11.6
93.03449	8.0
96.21037	4.8
96.95998	6.9
98.21821	4.1
98.39710	3.8
101.02446	60.9
113.02467	100.0
114.02840	5.6
117.03488	30.1
119.03559	8.0
119.05038	41.8
129.01958	8.7
131.03545	6.3
135.04539	5.8
143.03517	6.8
145.02972	86.6
146.03355	11.3
149.04547	18.1
159.04448	5.6
161.02576	5.6
161.04567	27.5
161.06082	12.3
163.04045	33.7
164.04375	6.5
187.04028	24.1
203.05685	5.2
205.05074	7.7
211.07657	12.3
221.06679	17.9
223.07739	9.9
227.07040	5.0
229.01573	6.0
264.00391	4.1
325.09402	13.8
327.08716	10.6
421.11383	11.8
429.21124	6.1
459.39774	4.6
585.16467	5.5
603.54309	4.1
699.22882	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	861.486
Annotation	Unknow
Peak:m/z	Relative Intensity
70.16312	3.7
71.01387	18.3
72.99339	1.4
73.02952	2.3
75.00881	1.1
81.03471	3.8
83.01401	1.2
83.05054	2.3
85.02946	4.7
87.00890	3.9
89.02460	16.0
95.01402	2.5
97.02957	7.9
98.21820	1.1
99.00853	2.1
101.02454	13.3
107.05083	1.1
109.02959	1.4
109.06608	30.6
113.02467	8.4
119.03520	3.4
121.06654	2.5
125.02444	6.4
131.03526	0.9
135.08240	2.3
141.02036	1.4
141.43314	0.9
142.02701	2.2
143.03546	2.2
161.04602	3.9
161.09708	1.9
163.11305	17.1
179.05635	5.7
181.12363	3.9
189.09235	3.2
207.10289	100.0
208.10660	4.4
221.06702	3.1
222.25769	1.1
225.11339	41.4
226.11679	2.0
234.18170	1.2
235.08241	3.7
243.12355	2.3
253.09264	1.3
255.23331	51.4
256.23721	3.7
263.07889	1.5
281.13809	1.2
299.15176	1.9
305.08728	2.2
340.09717	1.1
379.12460	6.5
397.13550	42.1
398.14056	3.3
415.14740	11.9
416.14825	1.4
419.35721	1.1
478.75635	1.1
587.23737	1.6
605.24554	6.8
623.25427	7.1
624.25574	1.2
653.36810	1.3
738.87616	1.2
861.48541	52.3
862.48975	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	861.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	2.6
69.03465	3.0
70.18913	5.8
71.01385	30.0
72.99332	2.6
73.02946	5.4
81.03484	3.4
82.20061	1.8
83.01398	5.1
83.05030	5.0
85.02943	9.2
87.00880	7.0
89.02457	18.2
95.01391	3.5
97.02963	20.9
99.00931	2.9
101.02443	18.2
105.21544	1.9
109.06602	34.4
110.03720	2.8
113.02480	7.6
119.03501	6.4
121.06596	2.8
123.04494	2.1
125.02439	6.3
135.08160	4.7
136.05307	4.1
141.28609	1.9
142.02739	3.7
143.03474	2.5
145.74658	1.8
161.04617	2.5
161.09726	2.2
163.11298	17.0
179.05621	2.1
181.12338	5.1
189.09230	2.6
200.65630	1.9
207.10275	100.0
208.10641	5.7
208.64432	2.0
209.11880	2.4
218.55984	1.7
225.11330	40.0
226.11714	2.0
235.08199	5.2
255.23308	70.8
256.23495	8.2
379.12576	4.3
381.58698	1.7
397.13562	33.8
398.14160	3.1
407.06760	2.1
410.61447	1.7
415.14450	9.9
605.24524	3.4
623.25537	4.0
722.20715	2.2
861.48572	37.5
862.49084	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	863.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03480	0.8
69.77490	2.6
71.01388	14.0
72.03040	0.5
72.99297	1.4
73.02946	2.1
79.30794	0.5
80.02689	0.9
81.03464	1.7
83.01413	1.1
83.05049	4.6
84.02188	0.6
85.02958	3.1
87.00896	3.0
89.02454	10.2
95.01380	1.1
95.05045	1.0
97.02959	2.3
98.21857	0.7
99.00896	0.6
101.02457	9.0
109.06581	0.8
113.02457	5.7
115.72634	0.5
119.03509	3.1
125.02451	4.3
125.06060	0.6
131.03543	0.9
141.01944	0.5
143.03520	2.1
161.04587	3.3
163.11279	2.7
165.12767	2.4
179.05676	3.3
191.10588	0.8
199.06010	0.5
207.10284	0.7
209.11848	100.0
210.12186	6.0
214.38675	0.5
217.07169	0.5
221.06671	1.8
225.11360	0.7
227.12927	11.7
228.13313	0.6
235.08250	3.9
251.12981	1.0
253.09395	0.8
255.23312	40.2
256.23700	3.3
287.07825	1.3
305.08832	1.6
323.09933	0.8
379.12534	5.8
397.13547	27.7
398.13977	2.2
415.14563	6.9
416.14420	0.6
607.26135	1.0
719.83472	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
61.16533	1.5
69.61639	1.5
71.01385	11.6
71.28658	2.3
81.03471	2.0
85.02974	5.6
93.03472	15.5
93.14356	1.6
99.04548	3.1
99.07211	1.9
101.02452	6.8
111.00874	11.9
113.02466	6.6
117.03455	2.7
119.05057	7.0
121.78755	1.8
124.10953	1.8
132.05882	1.8
145.02968	3.4
145.06586	2.3
147.17526	1.7
161.04645	2.3
163.04012	2.4
169.06648	4.6
171.04565	2.9
171.08112	3.2
185.06161	5.2
195.08159	36.9
196.08694	3.6
197.09750	13.4
211.07706	4.2
213.12933	3.1
215.03665	1.9
216.06720	2.5
221.09741	1.8
222.07025	1.6
223.07668	42.1
224.08049	5.5
227.03526	2.3
229.05103	3.0
235.07996	1.9
237.09256	7.2
239.10780	25.8
240.11307	2.7
241.08711	100.0
242.09076	8.9
255.07845	1.7
255.10156	9.6
257.11880	3.2
265.08749	18.0
266.09021	2.6
267.06717	2.7
283.09790	12.8
284.03445	4.5
285.07651	22.0
286.08066	2.5
309.07578	12.8
318.90482	1.4
344.04736	1.7
447.09421	4.3
489.83359	1.9
529.17316	25.3
530.17810	3.8
545.20306	4.8
547.18188	55.0
547.26257	2.8
548.18793	9.1
563.20996	1.9
589.19348	30.3
590.19733	5.5
607.20703	2.1
628.15686	1.7
639.63306	1.8
646.81232	1.7
722.20178	2.1
869.30890	65.3
870.31244	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	873.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	2.0
69.14939	7.5
69.15347	2.3
71.01388	93.0
72.99302	4.9
73.02953	71.3
81.03441	1.5
83.01392	23.1
85.02956	21.0
87.00890	3.5
89.02451	26.9
95.01414	5.4
97.02965	1.9
99.00879	4.0
101.02453	100.0
102.02801	2.7
111.00818	1.0
111.52457	1.1
113.02464	52.9
114.02750	1.7
119.03521	15.2
121.06599	2.1
125.02480	3.8
129.01878	1.3
131.03514	11.3
135.04543	1.9
137.09726	18.8
143.03510	12.1
149.04561	19.2
155.03522	2.6
159.03021	1.5
161.02437	2.6
161.04573	47.3
162.04984	1.4
164.23206	1.2
179.05618	2.1
187.11269	1.2
189.12871	3.9
191.05690	1.3
203.05608	4.8
207.13808	1.5
221.06703	11.5
227.10904	1.1
255.85513	1.2
313.16733	1.7
331.17636	17.4
373.18646	12.1
374.19238	2.5
411.20309	3.8
449.90768	1.1
460.19589	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	874.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	2.0
71.01389	23.1
71.29391	3.1
72.99301	2.4
73.02962	3.4
81.03465	5.1
83.05041	5.1
85.02962	7.2
87.00879	4.2
89.02473	15.0
93.07136	1.8
95.01392	2.7
95.05035	2.1
96.96049	2.1
97.02966	15.5
97.06605	2.6
99.36710	1.6
101.02469	12.2
107.05070	3.5
109.06603	44.7
110.06944	2.1
113.02471	11.4
115.54586	1.5
119.03523	3.7
121.06598	4.2
125.02441	5.0
125.09753	5.5
133.06609	2.2
135.04521	1.8
135.08182	7.7
136.05312	4.0
142.02736	6.2
161.02451	1.7
161.04649	3.9
161.09743	2.3
163.11299	22.2
179.05679	3.6
181.12381	7.1
187.09776	4.3
189.09186	2.3
207.10278	100.0
208.10637	7.6
209.11818	8.5
221.06596	4.3
223.09779	2.5
225.11325	50.6
226.11711	3.9
235.08284	4.6
243.12437	2.0
254.37117	2.0
263.12958	3.0
265.11240	1.8
303.16464	1.7
397.13651	13.0
397.20135	3.1
415.14648	5.5
415.21368	8.5
433.22647	2.7
623.25494	9.0
635.30334	2.4
769.32855	4.3
785.35413	2.6
787.34302	10.5
788.34589	2.5
795.33911	8.6
796.35254	2.3
813.35437	46.8
814.35950	12.9
831.36432	30.4
832.36786	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	877.4236
Annotation	Hoffmanniolide
Peak:m/z	Relative Intensity
61.35577	6.2
61.98835	23.4
69.03459	6.7
70.18626	20.9
71.01395	34.9
74.96481	7.0
83.05031	10.1
95.05058	8.0
97.06595	16.6
109.06607	53.6
121.06595	9.0
123.08179	10.4
125.09780	41.3
135.08182	7.6
140.02591	8.3
143.01468	7.2
144.13383	6.8
163.11319	16.9
181.12372	7.1
187.09767	10.9
207.10300	66.7
209.11826	60.9
225.11346	38.5
237.11292	7.9
263.13086	7.5
317.21570	7.5
549.53693	9.3
651.30255	15.8
815.39099	14.4
831.42548	10.1
833.39032	25.3
841.40198	14.7
859.41400	100.0
860.41467	29.8
877.42798	43.7
878.41809	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	877.481
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03456	5.2
71.01383	15.8
71.05053	1.5
72.99316	1.3
73.02952	2.3
83.01402	1.5
83.05044	0.9
85.02959	3.5
87.00891	2.6
87.04049	0.7
89.02458	11.8
93.88335	0.7
95.01433	0.9
97.02972	2.1
97.06618	1.2
98.21729	1.4
99.00850	1.4
100.89712	0.8
101.02448	10.0
109.21980	0.7
113.02460	5.1
119.03524	3.0
125.02470	2.2
125.09763	1.9
151.11322	1.6
153.12810	1.2
161.04568	1.3
161.09758	2.5
179.05617	1.0
179.10806	5.1
184.63925	0.6
188.47189	0.7
190.63261	0.7
197.11848	68.5
198.12204	3.9
200.95345	0.8
221.06728	2.6
223.09821	2.4
241.10875	4.5
250.18358	0.7
255.20634	1.6
255.23325	34.3
256.23669	3.7
397.13666	2.6
426.26053	0.8
478.35925	0.8
611.95544	0.7
650.31622	0.8
698.52521	1.0
877.48071	100.0
878.48456	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	8.9
68.22794	2.9
70.46155	7.4
70.46525	6.3
71.01374	12.6
78.95882	6.6
85.02953	11.2
89.02446	6.4
93.03477	4.6
110.02513	3.5
111.00923	3.3
113.02456	14.8
117.03457	12.1
119.05051	17.5
122.06137	4.7
133.02962	5.3
134.06157	5.9
135.04532	9.8
136.07718	3.6
137.02402	7.2
145.02968	42.3
146.03334	4.0
146.13179	3.4
148.04057	10.2
150.05612	13.5
159.04492	5.5
161.02425	14.2
161.06087	9.0
162.05573	5.1
163.04025	14.1
187.03990	15.5
191.05609	6.9
200.07141	3.6
215.08237	5.1
223.08833	5.9
226.07520	3.8
227.08315	11.3
241.06105	11.9
241.09856	11.9
242.06967	22.1
243.07703	15.0
243.11407	5.1
251.08243	10.0
252.09056	6.1
253.06062	5.5
254.07037	16.9
255.07761	51.2
255.10553	4.3
255.11459	4.1
256.08539	19.2
257.09341	8.3
260.58624	4.0
265.09869	24.6
266.10590	49.7
267.08469	4.6
267.11288	30.3
268.08517	12.2
269.09311	52.0
270.10107	29.3
271.10703	5.4
283.10941	7.9
284.11642	11.7
285.12463	13.7
314.09042	17.7
315.09735	11.0
325.09326	19.3
327.09744	5.0
328.10666	4.7
329.11569	13.3
342.08859	4.1
357.11270	5.3
359.13000	4.3
361.10788	5.3
362.11313	6.7
372.13516	38.9
376.12775	11.7
377.13696	7.0
386.15088	12.0
387.15976	31.3
388.16492	21.1
390.14661	8.5
405.17059	9.2
423.13141	4.6
432.15567	14.0
434.13403	8.2
449.15860	37.7
450.16565	19.6
451.17303	5.3
496.17120	4.6
510.18909	44.1
511.19135	7.9
535.18890	4.7
569.24091	5.8
613.23163	5.3
631.24182	82.8
632.24127	15.3
655.24158	5.7
713.30341	4.0
714.24731	12.0
835.30432	100.0
836.30981	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	881.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
69.66867	8.0
71.01380	3.2
73.02939	1.5
78.32435	1.7
82.02985	6.6
85.02960	2.8
88.97964	1.4
89.02465	1.8
94.02953	1.4
96.04602	1.5
101.02376	1.3
108.08163	1.9
109.02974	1.4
112.04047	3.6
113.02438	2.0
118.35704	1.5
119.02538	1.8
119.05055	1.7
120.04548	3.3
122.06139	2.3
122.09739	4.2
124.04045	3.2
133.02979	2.2
135.03278	1.7
136.07666	1.9
139.02797	2.1
147.03232	2.7
148.04053	24.5
149.04877	7.5
150.04448	2.3
150.05612	39.9
151.05815	1.5
154.05058	3.1
160.04066	5.0
160.07555	1.6
161.04845	14.6
162.05605	1.9
163.02742	4.3
164.03595	8.3
164.07158	2.5
166.08670	2.5
173.03505	7.6
173.04874	3.2
174.04337	30.3
174.05605	2.6
175.05080	15.0
175.06439	4.8
186.05588	3.1
187.06308	4.2
188.07166	2.4
189.06708	15.3
190.07478	37.4
191.05690	4.8
191.08125	4.9
191.56166	1.4
200.07141	4.0
201.07919	5.4
202.07303	2.6
202.08984	2.6
203.05977	3.4
203.08150	2.6
214.11047	4.9
215.08109	1.3
216.06758	3.3
217.07565	2.1
217.09749	2.5
226.08893	2.1
227.09526	1.8
228.06641	5.0
231.07770	5.6
232.08533	41.2
233.09250	13.2
242.08241	2.3
242.10529	3.7
243.07629	10.2
243.11266	3.3
244.08266	19.2
245.09285	15.1
262.09549	2.9
267.07681	2.6
268.08435	4.3
269.09335	2.3
271.14496	9.7
285.08813	2.1
286.09573	11.1
287.10321	6.5
289.09393	1.9
296.13977	2.7
304.10385	2.0
315.13516	6.1
337.10788	2.7
349.15686	1.7
354.18048	4.3
380.16214	1.8
398.16956	4.9
408.19128	2.7
410.17065	2.3
426.20508	7.7
434.16962	4.8
449.15961	2.0
452.18188	19.9
453.18039	2.9
467.17038	4.1
470.19379	23.8
519.20331	3.1
544.19305	3.1
602.23700	18.1
603.23456	2.9
614.23560	5.8
615.24060	6.3
632.24768	3.4
633.25934	7.5
634.25439	2.0
656.24695	13.8
657.23676	7.6
674.25671	100.0
675.26019	21.8
707.25476	1.7
756.39374	1.7
765.29535	3.0
795.30499	3.5
819.30566	4.5
837.32062	32.5
838.32227	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	881.311
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98853	2.3
67.66975	1.6
69.88206	4.4
69.88605	3.7
71.01379	5.3
82.02985	6.2
112.04070	3.5
113.02463	5.1
120.04566	5.2
122.09771	3.1
124.03989	2.6
133.02939	1.8
135.03201	2.7
136.07736	1.8
147.03268	3.8
148.04059	29.1
149.04857	12.4
149.05835	2.0
150.05614	38.1
151.05949	1.9
154.05057	2.8
160.04082	5.1
161.04843	17.2
162.05592	3.4
163.02753	4.9
164.03528	8.3
164.07248	2.8
166.08699	4.5
173.03558	8.3
173.04840	2.5
174.04352	32.2
174.05646	3.4
175.05098	14.1
175.06438	6.1
186.05640	2.6
187.06360	3.0
188.07306	2.4
189.06680	14.8
190.05032	2.5
190.07506	39.6
191.05705	5.5
191.08182	6.3
200.07066	4.6
201.07860	4.6
202.07320	4.3
202.08981	3.3
203.06192	2.0
203.08095	2.3
214.05070	2.1
214.11118	2.8
215.06036	2.0
216.06804	2.2
217.07390	3.3
228.06705	2.7
231.07755	7.3
232.08553	37.5
233.09315	14.2
241.09911	2.6
242.08250	3.5
242.10588	3.2
243.07721	6.8
243.11440	3.1
244.08217	18.6
245.09221	12.0
262.09540	3.6
263.10437	1.9
267.07693	2.1
268.08615	2.7
269.09149	3.0
271.14410	8.7
285.08975	2.8
286.09634	10.0
287.10373	7.0
304.10425	2.6
315.13370	5.3
354.18195	5.0
357.14536	2.0
366.18332	2.6
392.49423	2.0
398.16980	4.4
408.19153	4.7
410.16995	3.1
426.20581	10.8
434.17004	2.8
449.16068	2.7
452.18329	20.8
453.17679	2.9
467.16873	4.0
470.19424	24.9
471.19739	4.2
519.19739	5.8
540.43610	1.9
544.19360	3.0
602.23633	16.1
614.23663	7.4
615.24451	5.0
632.24719	2.8
633.25684	10.6
656.24213	14.0
657.23340	11.4
674.25732	100.0
675.26044	24.0
765.29883	3.3
795.31885	3.3
819.30396	5.3
837.18530	2.8
837.32257	25.9
838.32794	9.4
912.37195	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	881.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	4.9
71.29753	2.4
82.02981	8.1
85.02974	3.5
101.02437	2.5
110.02505	2.6
112.04066	2.4
113.02453	5.7
120.04523	3.6
122.09746	2.2
133.02924	3.5
137.02344	1.8
147.03241	4.6
148.04045	27.7
149.04840	11.0
150.05623	45.4
154.05217	3.0
160.04065	4.8
161.02420	2.6
161.04819	14.2
162.05600	4.2
163.04025	2.2
164.03525	8.7
164.07164	2.3
166.08791	2.2
173.03542	8.1
173.04868	2.3
174.04353	32.5
174.05666	4.3
175.02730	1.9
175.05095	15.9
175.06447	5.9
177.04504	2.1
187.06384	4.4
189.06686	16.3
190.07489	47.0
191.05649	4.8
191.08112	6.3
200.07166	2.6
201.07957	5.3
202.05753	2.1
202.07397	6.2
202.09003	3.5
214.07327	2.1
214.11052	3.1
217.07487	3.5
217.09767	3.3
226.08966	2.3
228.06721	3.6
231.07803	6.9
232.08531	48.4
232.10693	4.0
233.09335	15.0
235.16585	1.8
242.08304	3.0
242.10559	3.9
243.07750	8.6
243.11368	2.2
244.08249	24.5
245.09222	16.1
259.11002	2.2
262.09613	4.0
268.08401	3.2
271.14584	8.9
286.09671	10.2
287.10385	7.9
289.08716	2.1
296.14087	3.3
315.13657	4.4
338.11258	2.2
354.18320	4.9
369.14615	2.4
398.17184	4.8
409.19562	2.1
426.20334	8.1
434.16901	3.1
452.18253	19.0
453.18237	4.6
467.16940	3.3
470.19177	23.4
471.19861	4.6
519.19849	3.8
544.19391	4.7
602.23651	18.2
603.23639	3.9
614.23486	9.6
615.23651	4.8
633.25543	7.9
634.26367	2.1
656.24548	16.9
657.23248	8.8
658.23334	2.9
674.25720	100.0
675.26172	22.2
731.75885	2.1
819.31030	3.6
837.32019	33.0
838.32227	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	883.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
61.54081	0.9
61.98822	5.5
69.03469	1.6
71.01389	26.7
72.99312	1.7
73.02949	5.1
81.03483	2.7
83.01408	3.5
83.05042	2.0
85.02954	6.3
87.00891	6.4
89.02454	21.8
93.03519	1.3
95.01402	2.3
97.02961	13.4
99.00907	4.0
101.02450	22.2
109.06599	33.8
110.03790	1.3
111.04469	1.0
113.02464	10.1
119.03490	4.8
121.06630	2.8
123.04495	1.5
125.02428	6.3
135.08205	4.4
136.05292	2.2
138.56219	1.1
141.01958	1.4
142.02779	4.0
143.03531	3.0
156.12038	1.0
161.04585	4.2
161.09735	1.8
163.11305	20.8
164.11575	1.2
179.05684	4.7
179.10825	1.7
181.12361	5.5
189.09265	2.8
207.10286	100.0
208.10661	5.9
209.11790	1.2
221.06703	2.1
225.11330	40.9
226.11690	2.4
235.08212	5.9
243.12257	1.6
253.09377	1.1
254.87697	1.1
277.21750	72.1
278.22180	6.0
291.23453	1.0
299.15213	1.6
305.08826	1.7
323.09702	1.1
361.11240	1.2
379.12589	5.3
380.12885	1.0
397.13544	41.6
398.14041	2.8
415.14536	12.3
441.34525	1.0
605.24628	5.1
623.25665	4.9
624.25745	1.3
883.46973	41.4
884.47430	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	883.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	10.1
67.24283	1.6
71.01392	21.9
72.99296	2.5
73.02951	5.4
80.02650	1.7
81.03439	4.4
83.01374	2.0
83.05020	2.3
85.02947	7.3
87.00883	7.5
89.02462	15.7
95.01402	2.0
97.02981	11.8
98.22640	2.4
99.00895	4.5
101.02461	15.7
107.05000	1.8
109.06598	33.0
113.02460	11.1
113.63940	1.6
119.03509	4.2
121.06552	2.4
125.02443	7.1
135.08134	4.7
136.05328	1.9
141.01964	1.8
142.02725	3.1
143.03497	2.9
161.04637	3.0
163.11296	16.3
179.05579	4.9
181.12328	4.3
188.17209	1.6
189.09303	2.3
199.34027	1.6
207.10280	100.0
208.10622	6.4
209.11810	3.3
221.06715	2.7
225.11346	37.0
229.18971	2.3
235.08257	6.0
243.12590	2.0
277.21738	50.7
278.22064	5.9
305.08722	3.4
379.12537	4.7
397.13501	35.0
398.14117	3.4
415.14590	11.6
421.39899	1.7
600.67371	1.7
605.24341	5.1
623.25421	10.7
834.51758	2.0
883.47095	43.3
884.47144	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	885.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	20.7
69.59866	13.4
70.06708	59.7
71.01382	26.7
83.05004	17.2
84.28660	14.5
96.96045	27.8
101.66420	13.7
109.06546	27.9
116.92845	22.4
135.08191	37.3
163.11322	17.8
179.07178	38.5
197.08272	21.0
206.49265	15.2
207.10239	100.0
209.11804	22.2
225.11302	98.3
252.73685	14.6
331.99628	20.1
364.72940	14.9
651.30194	34.2
669.31366	17.3
787.36108	23.4
799.20660	20.2
805.36267	63.8
831.38391	59.0
885.35675	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	886.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	7.7
87.05686	2.7
103.00392	4.0
103.01505	100.0
106.69981	1.9
116.92949	2.1
129.10353	7.5
130.08823	2.2
154.58150	1.6
155.08292	1.7
156.07458	1.8
165.10358	1.6
188.26471	1.8
200.14000	3.2
207.15051	8.5
225.16209	1.7
242.18732	5.5
295.21329	3.8
313.22369	3.4
337.26270	2.6
415.65607	1.9
782.51910	60.4
783.52191	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	891.4605
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03484	5.4
70.09570	4.2
71.01384	100.0
71.20939	3.5
71.30376	6.8
73.02956	26.3
77.89796	3.7
83.01398	15.4
83.65993	3.5
85.02961	39.7
87.00903	5.6
89.02448	35.0
93.03468	4.7
95.01378	6.6
97.02961	4.5
99.00900	6.7
101.02450	58.9
111.00860	4.9
113.02462	59.8
119.03506	16.4
119.05030	5.6
125.02444	4.2
135.04538	6.9
143.03510	6.9
145.03001	8.1
149.04599	11.5
152.99544	4.6
161.02452	10.3
161.04570	26.8
179.03468	4.3
179.05623	9.3
184.10268	3.7
191.05579	6.4
203.05716	17.8
341.08890	4.9
343.46494	3.8
371.20724	16.8
400.59006	4.1
413.21729	40.8
414.21896	5.2
433.24237	39.4
511.39484	4.4
604.83588	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	894.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98539	86.9
71.01378	69.0
109.06572	78.4
113.02438	50.0
119.81969	38.3
129.31725	42.2
144.23520	39.2
169.08739	40.2
207.10170	100.0
221.08054	68.0
299.80405	42.2
390.98080	54.3
409.19006	45.7
519.56903	51.7
729.87054	45.0
816.36316	75.6
834.36597	75.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
67.77292	1.5
69.03457	2.2
69.44402	9.0
70.07019	1.4
71.01389	18.2
73.02944	2.4
74.55278	1.8
79.33220	1.4
83.01383	4.0
85.02952	9.4
87.00868	1.8
89.02450	11.5
93.03473	12.3
95.01400	4.7
98.22557	1.7
99.00915	1.8
101.02456	9.9
109.02930	1.9
111.00895	5.2
113.02469	20.8
117.03481	20.9
119.03589	3.5
119.05040	60.2
120.05367	4.4
121.02953	3.9
121.79490	1.9
123.04549	2.2
129.01891	3.9
131.05019	2.3
132.05809	2.9
133.02950	3.5
133.06615	20.2
135.04515	3.9
139.00336	3.0
143.03514	2.0
143.05049	8.6
145.02969	100.0
145.06602	3.6
146.03261	9.5
147.04500	2.1
157.01448	3.4
157.68178	1.6
159.04550	9.8
161.02394	1.5
161.04590	6.3
161.06081	32.0
162.06502	2.2
163.04028	56.0
164.04398	5.1
177.05574	3.0
179.05618	11.2
186.09254	7.1
187.02489	3.0
187.04037	36.7
188.04376	4.1
191.07248	2.1
205.05081	39.1
206.05342	2.6
210.06847	5.2
211.07663	89.3
212.07961	6.4
217.05103	3.1
223.07664	25.5
224.08051	2.7
229.09795	7.8
235.05956	12.0
237.09222	8.8
238.09584	2.7
253.08694	2.8
255.11400	2.3
265.06775	25.8
265.09323	2.8
273.08838	12.7
277.08850	2.1
283.09784	7.1
299.10358	2.4
308.09512	1.5
309.07700	7.7
319.06610	1.6
325.09238	26.3
326.09512	3.4
327.08755	82.4
328.09158	9.4
351.08713	3.3
361.10535	7.4
369.09744	27.8
370.10223	3.4
381.09656	1.8
399.10861	19.1
400.11230	2.9
400.16306	1.8
411.10767	2.1
423.13080	3.5
429.11929	65.0
430.12189	8.6
437.10400	1.9
438.11157	2.2
439.12173	3.1
459.13174	2.2
471.12909	5.7
489.14023	58.1
490.14325	7.2
526.46075	1.7
531.15082	4.3
603.16949	2.2
691.32397	2.0
765.21985	2.7
771.13916	1.8
924.59229	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	897.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01917	1.6
65.99809	1.6
69.13589	1.5
69.22697	1.5
69.25658	11.0
71.01385	4.7
73.02973	1.5
82.02574	1.9
82.02970	10.5
85.02964	3.3
88.44462	1.6
93.03474	5.4
101.02447	3.1
106.06622	3.0
108.08194	7.4
111.00867	3.0
112.04049	4.7
113.02457	6.9
119.05048	3.4
120.04532	5.4
122.06143	2.9
124.04030	1.7
136.07736	3.4
138.09227	2.7
145.02991	2.3
147.03239	2.5
147.05742	1.7
148.04051	31.0
149.04842	10.7
150.05617	51.1
154.05093	2.6
158.36980	1.7
160.04109	4.5
161.04855	21.4
162.05576	4.6
163.02782	4.7
164.03564	9.5
166.78734	1.6
172.07697	1.7
173.03543	10.9
173.04834	3.6
174.04344	33.3
174.05626	3.9
175.05110	20.8
175.06453	6.4
175.27458	1.7
176.05875	3.1
177.06686	2.9
179.03413	1.9
180.06689	3.3
182.08278	10.1
186.05533	3.5
187.06383	7.0
188.07188	2.6
189.06689	20.3
190.05008	2.3
190.07503	44.9
191.05736	5.0
191.08099	7.4
195.08134	5.2
197.09683	2.2
200.07196	4.8
201.07970	3.7
202.07396	5.7
202.08865	5.7
203.06078	3.0
203.08197	3.2
204.06572	2.2
213.10551	2.2
214.10970	3.6
215.08235	5.5
216.06792	3.1
217.07436	4.8
217.09747	2.2
223.07672	5.5
227.03537	3.4
228.06656	4.0
231.07701	11.2
232.08546	45.0
233.09276	20.1
234.09547	1.8
236.09157	2.1
242.08357	2.7
242.10739	3.1
243.07660	8.7
243.11415	2.3
244.08173	22.8
245.06825	2.5
245.09282	23.6
246.07616	2.3
255.03091	3.5
256.03326	2.4
263.10443	2.8
265.08713	6.2
267.07892	2.2
268.08578	4.5
269.09213	1.9
283.09863	3.9
284.03271	4.1
285.03738	3.1
285.08182	2.9
286.09686	11.5
287.10464	11.0
287.14081	5.6
301.10760	1.9
304.10648	2.6
305.11569	1.8
309.07739	2.8
327.08749	2.9
331.13062	6.1
337.10800	2.6
338.11209	2.8
351.08691	4.6
369.09814	3.1
370.17715	6.7
382.18027	1.9
387.06125	1.7
406.17520	2.1
414.16602	5.7
424.18716	4.6
426.16568	2.4
442.19766	15.5
447.09198	4.8
448.09818	2.4
449.09863	2.8
449.16006	3.2
450.16486	6.1
467.17026	5.5
468.17761	24.8
469.17474	2.4
486.18701	25.0
487.19266	4.5
507.14963	2.7
514.31476	2.0
535.19183	3.0
560.18317	2.6
587.24768	1.8
604.70917	1.9
605.25793	4.3
618.22888	16.9
619.23083	2.5
629.23962	2.1
630.22870	6.6
631.23285	4.4
648.23895	4.0
649.24854	13.1
650.25153	2.5
672.24432	13.2
673.22748	9.4
690.25159	100.0
691.25470	23.0
723.23914	1.8
781.29126	4.4
811.30072	3.1
835.30188	3.8
853.31451	43.7
854.32745	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	897.305
Annotation	Unknow
Peak:m/z	Relative Intensity
65.99837	1.7
69.50534	12.4
71.01384	3.4
82.02991	10.2
83.01340	2.4
85.02978	4.3
89.78487	1.7
93.03455	2.9
108.04549	1.9
108.08196	8.0
113.02438	7.6
119.05007	3.1
120.04562	6.0
123.04500	1.7
123.15633	2.2
136.07593	2.6
138.09286	3.2
145.02994	3.4
147.03285	3.9
148.04053	29.5
149.04799	7.3
150.05611	46.7
154.05049	3.2
160.04076	5.0
160.57957	1.6
161.04831	18.0
162.05588	4.2
163.02731	3.2
163.03987	3.2
164.03522	7.8
173.03532	12.0
173.04794	3.4
174.04338	33.5
174.05634	3.6
175.05098	18.1
175.06422	6.3
176.05838	4.2
180.06633	3.6
182.08214	6.3
187.06332	4.5
188.07195	2.5
189.06676	18.4
190.04997	2.1
190.07472	40.0
191.05775	3.9
191.08205	7.7
195.08040	2.8
200.07149	5.4
201.07921	6.3
202.07372	5.1
202.08846	5.7
203.05952	2.5
203.08298	3.1
204.06700	1.9
214.11128	2.8
215.08237	3.0
216.06866	2.6
217.07562	3.6
217.09676	3.7
221.09821	2.3
223.07674	2.3
228.06639	4.9
231.07668	9.0
232.08498	39.9
233.09267	15.6
242.10435	2.4
243.07736	8.2
243.11351	3.6
244.08141	20.4
245.09291	20.0
246.09669	2.9
262.09579	3.4
265.08743	4.9
268.08569	3.7
269.09378	2.1
271.94974	1.8
283.09738	3.4
285.08163	2.4
286.09644	8.2
287.10324	12.5
287.13889	4.5
289.09689	2.1
304.10428	2.2
305.11450	2.4
312.13751	3.9
331.13000	4.8
341.14969	2.2
351.08636	3.4
370.17862	4.3
373.13602	1.8
408.14679	1.8
410.03998	1.8
414.16650	5.0
424.18945	4.4
425.14417	3.0
426.16437	3.1
442.19879	11.5
447.13174	2.0
450.16510	3.6
467.16708	2.4
468.17719	19.5
469.17398	4.4
486.18762	24.9
487.19138	3.2
535.19318	2.8
605.25928	2.7
618.22986	16.2
630.22949	7.9
631.23462	5.3
649.24915	10.0
672.24060	17.5
673.23383	4.2
690.25165	100.0
691.25342	17.0
772.76917	2.2
781.30017	4.3
811.29987	3.2
835.30908	4.6
853.31683	35.3
854.31396	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	897.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01371	5.5
71.46339	2.3
79.24915	2.4
82.02980	9.3
85.02945	3.4
88.44862	2.0
93.03486	5.0
101.02425	3.2
108.08193	5.6
111.00867	5.1
111.38747	2.0
112.04064	3.6
113.02428	8.7
116.68571	2.5
119.05024	4.4
120.04567	4.6
120.67568	2.7
138.09183	2.8
145.03020	2.3
147.03297	3.0
148.04059	28.3
149.04803	7.5
150.05612	44.6
151.06015	2.3
160.04083	5.2
161.04858	17.2
162.05563	5.9
163.02751	3.8
164.03542	9.9
173.03564	14.8
173.04836	4.5
174.04347	31.7
174.05655	5.7
175.05096	15.1
175.06450	5.3
177.06628	3.2
180.06665	4.5
182.08206	8.0
186.05583	3.0
187.06413	6.5
189.06696	18.8
190.07463	37.5
191.08284	5.9
195.08144	5.5
197.09787	4.6
197.30846	2.6
200.07196	6.8
201.07927	6.2
202.07278	3.3
202.08891	4.3
203.05981	4.3
207.47260	2.4
214.11096	3.6
215.08258	3.8
216.06778	3.9
217.07417	5.7
217.09755	5.9
223.07607	8.9
228.06566	3.2
231.07687	8.6
232.08536	41.6
233.09317	15.9
239.10770	3.4
241.08737	2.5
242.08206	3.1
242.10417	4.1
243.07852	6.9
243.11301	3.4
244.08191	19.8
245.06943	3.8
245.09251	17.0
250.49318	2.8
262.09625	3.1
263.10428	2.3
265.08698	8.9
268.08566	6.1
269.09293	3.4
275.44101	2.5
283.09921	7.1
285.08231	2.6
286.09637	7.9
287.10373	8.1
287.13992	6.7
305.11108	2.5
312.13699	3.7
327.08563	5.5
331.12866	7.4
343.39380	2.4
351.08862	13.3
369.09592	2.7
370.17624	5.3
407.15732	2.6
414.16879	4.0
424.18695	5.8
426.16803	3.4
429.11938	5.0
442.19693	12.3
450.16620	5.8
467.16934	4.0
468.17749	23.0
486.18777	29.2
487.19427	5.9
535.19177	3.6
560.19415	4.0
605.25879	4.0
618.23358	18.0
630.23016	8.7
631.23462	5.8
649.24945	6.3
672.24561	11.3
673.22491	4.3
690.13550	4.9
690.25122	100.0
691.25793	22.3
715.04285	2.6
833.22253	2.8
835.29968	6.9
853.31421	35.8
854.31665	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	897.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
69.17299	15.2
69.17715	4.7
71.01382	7.7
73.02953	2.8
82.02984	8.1
85.02953	4.3
89.02464	6.3
93.03462	8.6
100.20425	2.5
101.02444	4.6
108.04567	2.8
108.08192	9.1
111.00892	9.9
112.04039	2.4
113.02468	8.7
119.03480	2.6
119.05022	5.0
120.04551	4.2
124.04027	2.2
134.18480	2.1
135.04454	2.6
136.07700	3.5
138.09241	2.4
145.02942	4.9
147.03265	3.6
148.04063	27.8
149.04831	11.5
150.05629	46.3
154.05141	3.6
160.04019	10.3
161.04822	15.7
162.05588	5.1
163.02737	2.5
163.04025	3.4
164.03545	6.9
173.03532	10.2
173.04834	3.3
174.04327	32.0
174.05638	3.2
175.05127	18.2
175.06427	5.4
180.06743	3.8
182.08253	11.2
183.08237	3.0
186.05571	3.3
187.06343	3.9
189.06752	13.6
190.05034	3.0
190.07475	36.0
191.05760	6.2
191.08212	7.0
195.08157	10.0
197.09601	2.2
200.07220	3.7
201.08022	3.7
202.07339	4.1
202.08994	3.4
203.05995	4.4
204.06642	2.9
214.04959	2.2
214.11134	3.4
215.08337	3.1
217.07413	2.4
223.07632	13.1
227.03542	9.2
228.03703	4.1
228.06866	2.7
231.07710	8.6
232.08533	37.9
233.09401	13.2
237.09236	3.3
239.10873	4.9
241.08699	6.1
242.08394	4.1
243.07851	5.3
243.11136	2.7
244.08580	12.8
244.10071	2.6
245.09274	17.1
255.02979	10.7
256.03354	7.6
257.08273	4.5
262.09732	3.1
265.08685	17.0
268.08719	3.0
283.09753	10.5
284.03348	12.6
285.03802	9.2
285.07739	3.4
286.04279	5.1
286.09625	8.7
287.10364	11.1
287.14005	6.0
301.11038	3.2
304.10638	3.1
309.07739	5.1
327.08676	4.3
331.12949	5.8
351.08826	20.0
369.09885	5.3
370.17737	5.0
372.16379	2.9
381.09436	2.4
381.17801	2.2
382.17651	2.7
414.16669	6.2
424.18829	2.6
429.11688	4.7
442.19632	6.6
447.09174	17.5
448.09772	14.6
449.09937	11.0
450.16794	4.1
467.17035	2.8
468.17841	24.9
469.18054	2.8
474.00342	2.4
486.18808	25.2
487.18997	4.8
489.14001	3.6
507.14972	6.2
560.18262	3.3
618.22974	12.4
630.22882	6.4
631.22803	3.1
649.24915	10.2
672.24255	10.4
673.22797	7.6
690.25128	100.0
690.36975	5.0
691.25677	18.8
781.29663	2.5
819.59601	2.4
835.28009	3.0
853.31616	35.3
854.31116	8.8
881.22906	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	899.237
Annotation	Unknow
Peak:m/z	Relative Intensity
69.68439	0.6
74.02450	0.9
103.59743	0.8
107.01422	1.1
108.02206	0.9
109.02993	0.8
121.02999	0.8
134.03009	0.7
151.00371	8.5
163.00398	1.4
178.99892	4.0
192.00760	0.7
202.25352	0.6
227.03566	1.9
237.23407	0.6
243.02934	5.1
245.09348	1.4
254.02219	0.7
255.02997	13.7
256.03491	0.9
271.02515	31.2
272.03036	3.2
283.02737	0.7
299.02036	0.9
300.02786	64.8
301.03500	28.7
302.03979	1.4
609.14636	100.0
610.05231	1.0
610.15082	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	899.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
69.69552	8.6
71.01390	27.8
72.99309	2.3
73.02946	2.7
80.02698	1.8
81.03472	3.3
83.01385	2.6
83.05048	4.7
85.02959	7.0
87.00888	4.5
89.02455	20.7
95.01401	2.6
96.96033	1.8
97.02962	12.3
99.00897	3.2
101.02452	14.0
107.05084	2.2
109.06599	40.1
110.06954	1.8
113.02454	9.4
119.03507	6.6
121.06615	2.6
123.04546	6.4
125.02459	5.0
135.08174	4.5
136.05338	1.7
142.02734	5.4
143.03589	2.8
161.04601	4.8
161.09769	3.8
163.11308	21.4
179.05643	4.4
181.12349	5.4
195.13918	8.1
207.10281	100.0
208.10606	6.2
209.11829	5.4
221.06711	3.1
223.13412	6.2
225.11349	52.1
226.11646	3.6
235.08266	3.9
243.12361	3.7
253.09427	1.9
275.20239	4.5
287.07599	1.8
293.21252	90.9
294.21640	9.4
296.86581	1.8
379.12366	2.5
397.13495	35.6
398.13898	3.6
401.76724	1.9
415.14679	16.4
471.53516	1.5
605.24622	6.8
623.25635	10.9
624.25641	2.6
882.46588	2.3
899.29657	3.0
899.46448	46.3
900.46558	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	3.7
70.91513	1.9
70.91905	2.2
71.01389	16.8
72.99324	1.6
85.02965	3.4
87.00897	3.0
89.02475	9.3
89.02982	1.7
97.02969	2.7
99.00891	1.4
101.02450	10.0
113.02477	5.1
119.03535	1.5
125.02392	1.8
145.77820	1.0
151.11440	1.2
153.12862	1.9
161.04637	1.8
161.09732	2.5
179.05608	1.6
179.10835	3.6
197.11850	55.1
198.12189	3.1
221.06717	2.4
241.10941	3.4
241.56973	1.1
277.21802	16.3
278.22058	2.2
397.13602	4.2
639.25299	1.8
899.46503	100.0
900.46716	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	904.4915
Annotation	Unknow
Peak:m/z	Relative Intensity
69.00406	10.7
69.03459	2.4
71.01385	26.5
72.99353	2.1
73.02936	3.9
80.02665	1.1
81.03452	5.5
83.01398	3.0
83.05049	3.7
85.02961	7.0
87.00871	6.5
87.27979	1.0
89.02446	21.8
95.01397	1.8
97.02949	10.5
97.74969	0.9
99.00921	3.2
101.02448	19.2
107.05067	1.3
109.06596	51.1
110.03756	1.4
113.02460	7.9
114.02851	0.9
119.03454	4.8
121.06625	3.4
125.02471	6.4
130.59099	0.9
131.03517	1.2
131.07220	1.4
135.08177	5.2
136.05330	2.6
141.01942	1.8
142.02759	3.1
143.03531	2.4
161.04535	3.9
161.09705	2.8
163.11296	26.4
164.11668	1.5
179.05643	3.6
181.12386	6.5
187.93004	0.9
189.09283	2.3
207.10266	100.0
208.10588	5.5
209.11894	1.9
221.06708	3.9
225.11333	49.3
226.11710	2.8
235.08313	3.3
243.12392	2.9
255.23297	63.2
256.23669	7.1
269.24872	1.3
299.14990	1.4
379.12534	2.9
385.50827	1.2
397.13528	19.0
398.13809	1.9
398.60519	1.2
415.14740	6.0
419.35602	1.2
461.19995	1.1
517.78345	1.0
605.24469	3.8
623.25330	4.6
640.84534	0.9
861.48596	25.6
862.49109	7.8
910.43970	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01398	15.8
71.31093	6.0
71.31429	6.3
72.40625	4.0
73.02952	6.0
85.02973	5.8
85.06608	6.3
87.00896	8.2
89.02438	21.6
97.02945	5.2
101.02442	21.8
109.06597	22.9
113.02469	16.5
119.03528	5.0
124.08068	4.5
131.07146	48.5
132.07506	8.8
137.94821	4.2
144.04001	4.4
152.33754	3.9
161.04539	9.3
163.11302	23.1
207.10274	100.0
208.10512	8.2
225.11292	32.1
235.08109	9.1
255.23328	66.3
379.12711	12.1
397.13470	69.7
398.13776	9.1
415.14661	15.4
605.24005	6.2
623.25555	6.2
653.36853	5.1
861.48376	80.4
862.49084	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	909.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02405	6.4
65.00328	14.5
65.81620	3.7
71.01376	29.2
73.02937	9.1
79.44298	4.4
83.01366	13.0
85.02974	32.4
87.00878	6.9
89.02451	9.2
93.03473	10.9
95.01386	6.3
95.89529	4.2
97.02958	5.2
98.21796	9.7
100.27958	3.9
101.02374	26.3
105.97453	3.5
107.01402	34.3
109.02952	4.2
110.02518	4.5
111.00883	5.4
111.42651	3.6
113.02459	34.9
117.03476	9.9
119.05066	22.2
121.02997	4.9
124.01663	10.1
125.02448	6.8
129.01950	14.3
133.02940	11.9
135.04536	9.0
138.06850	4.6
145.02968	49.2
146.03325	5.3
151.00391	100.0
152.01195	30.5
152.08420	10.4
153.01897	5.9
153.09193	30.3
161.02448	19.4
161.06026	6.0
163.04044	18.5
169.01433	9.6
178.99873	98.2
179.03461	7.8
179.10730	6.1
187.04027	13.9
199.03978	4.6
203.03566	6.9
205.05014	6.2
205.12373	16.0
211.04163	5.1
211.07639	19.0
223.13411	11.9
226.02617	5.0
227.03491	7.6
227.07228	8.2
237.02045	6.0
242.02185	4.1
249.05566	4.4
253.01471	8.2
254.02225	11.1
255.02919	13.4
260.22943	3.9
269.00931	8.4
271.02515	6.8
281.01184	4.8
325.09457	7.2
327.08963	6.9
358.14896	4.2
367.17651	52.1
368.18011	4.2
385.18661	7.3
389.02658	7.6
389.06848	10.6
403.04529	12.3
405.06012	6.6
407.04163	13.7
427.19858	25.7
433.01846	5.6
437.10861	8.6
439.12317	5.7
551.37500	4.8
569.09259	4.8
585.06671	39.4
586.07117	5.1
666.65717	4.6
747.12000	89.8
748.11841	19.4
779.20941	6.3
877.23682	5.1
909.17322	95.0
910.17487	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	912.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
70.86289	28.1
71.01391	39.8
81.03464	15.7
89.02435	15.4
90.89291	10.5
97.02966	28.0
101.02457	26.8
109.06547	31.3
113.02474	15.2
125.09709	12.5
163.11288	39.1
181.12422	12.4
192.19789	11.3
207.10278	100.0
211.77516	13.3
225.09349	11.7
225.11305	56.3
245.19084	13.4
256.41174	11.0
273.34775	14.5
289.18176	28.4
307.19141	30.6
309.20847	18.0
344.09891	11.5
397.13528	43.1
415.14560	26.4
474.56339	12.7
797.35242	13.8
913.45386	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
68.12512	1.5
69.03457	1.7
71.01392	16.4
71.28928	2.9
73.02941	7.8
83.01383	1.7
84.69110	1.4
85.02956	18.4
89.02470	6.4
93.03467	5.2
95.01378	1.9
99.00917	1.4
99.88830	1.4
101.02459	8.7
107.82350	1.7
109.01753	1.7
110.02467	2.4
113.02460	67.1
114.02807	1.8
117.03478	22.7
119.03566	2.5
119.05033	21.4
120.05316	2.1
123.03269	2.3
123.08168	13.9
127.04079	1.5
133.02979	1.9
133.06619	2.8
137.09734	3.7
143.03482	2.1
145.02968	100.0
146.03313	4.3
159.04556	2.1
161.02469	4.2
161.04602	6.1
161.06042	3.2
163.04030	25.4
163.11273	8.3
164.04318	1.9
173.09746	1.5
177.05672	2.3
187.03992	25.3
189.12875	14.8
191.05681	1.7
205.05057	4.8
207.13919	18.6
211.07675	3.4
214.08798	1.9
218.45332	1.7
225.15004	4.2
237.09268	3.1
258.07739	6.2
259.08069	3.0
265.07068	3.7
307.08533	2.2
307.17685	2.3
325.09262	30.2
326.09808	3.5
327.08810	2.9
387.20352	6.2
421.11401	37.8
422.11792	3.6
429.12427	2.5
429.21332	37.9
430.21463	4.3
439.11945	1.9
439.22003	3.3
489.14346	2.4
495.02469	2.1
748.96002	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	913.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
70.91441	6.2
70.91785	14.4
77.15533	6.2
90.32298	6.0
101.02464	7.0
109.06603	43.0
125.09756	10.8
127.38651	6.1
163.11304	19.7
207.10277	100.0
209.11829	14.5
225.11395	75.1
227.12964	6.8
260.01129	6.7
415.21280	12.2
433.22549	10.2
461.19864	9.5
496.91107	7.7
548.10718	8.1
633.29224	11.8
651.30103	29.0
691.92004	7.6
748.49683	8.5
787.40228	6.7
815.38525	27.5
833.39905	64.6
834.40289	19.3
841.40021	24.3
859.41058	59.8
860.41388	23.4
877.42041	38.3
878.42523	8.7
880.23712	7.2
913.39734	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	914.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23193	5.7
71.01372	1.8
73.02944	0.9
74.06923	0.6
74.66087	0.7
83.01347	0.6
85.02952	2.2
88.58618	0.7
93.03436	1.8
101.02449	1.4
113.02438	3.5
117.03487	5.2
119.05037	30.5
120.05389	1.4
135.04535	0.8
145.02966	20.5
146.03294	1.1
161.02383	0.7
163.04019	44.1
164.04396	2.8
179.03418	0.7
191.05701	1.2
203.05627	0.8
211.07684	0.8
327.08649	1.2
425.14575	100.0
426.14899	11.7
851.30402	0.8
920.17590	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01393	9.8
89.02436	13.7
96.32243	9.1
97.02986	9.6
98.22641	14.4
99.36603	8.5
109.06592	28.9
142.02809	9.1
163.11273	21.4
172.94441	9.6
207.10283	74.9
208.10590	10.4
209.11826	100.0
223.09639	12.0
225.11342	49.4
227.12852	22.7
253.09227	10.4
293.21194	13.1
389.81229	9.4
397.13571	11.1
623.05164	10.5
640.15869	9.9
651.30212	12.1
835.41125	27.3
861.41913	23.7
879.43958	12.7
915.42407	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	915.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	2.8
69.31076	2.6
69.31419	17.5
71.01387	100.0
72.99303	2.4
73.02950	46.0
75.00878	2.9
83.01385	16.7
83.05002	2.4
85.02953	36.7
87.00861	3.1
89.02457	19.0
89.89143	2.0
90.91584	2.1
95.01383	8.8
97.02958	5.0
99.00885	6.6
101.02456	59.1
113.01720	3.6
113.02455	38.5
114.02773	2.3
119.03511	7.5
125.02470	3.6
131.03505	5.5
143.03470	5.0
145.02962	2.5
149.04538	6.7
159.02995	3.2
159.11720	2.1
161.04573	39.2
164.99455	2.1
179.05644	12.5
203.05621	16.0
209.15460	7.2
221.06596	2.8
222.72754	2.1
240.90028	2.3
244.34398	2.0
297.94241	1.9
366.40524	2.4
371.20752	22.7
413.21869	45.0
414.22366	5.0
448.20990	2.5
652.91895	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	917.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03474	2.9
69.80740	4.4
69.81124	5.6
71.01387	100.0
72.99306	3.5
73.02952	82.2
75.00866	2.7
78.96008	1.8
80.03754	2.8
81.03460	2.3
83.01396	25.2
83.05054	2.3
85.02959	23.2
87.00901	4.1
89.02450	25.1
89.84148	2.0
93.03456	2.2
95.01404	7.4
95.05017	2.5
96.96016	3.2
97.02978	7.4
98.22557	2.3
101.02451	91.7
109.06615	20.5
112.67145	2.2
113.02462	62.4
114.02791	2.8
119.03511	16.1
119.05077	3.2
124.00701	2.4
125.02452	4.7
131.03506	14.0
133.81319	2.3
135.04510	2.4
137.09724	3.0
143.03497	11.8
145.02940	4.2
149.04559	19.1
161.04575	41.4
161.09628	2.6
163.11333	12.1
173.09723	3.2
179.03603	3.1
179.05569	2.9
181.12383	2.1
189.12883	20.9
191.05627	6.0
191.63666	2.9
203.05734	3.0
205.12343	6.3
207.10280	65.2
208.10709	5.6
221.06662	7.9
223.13405	29.7
225.11348	29.5
235.08180	3.3
245.52991	2.0
248.22989	2.2
253.09335	22.1
267.12433	2.1
411.20432	6.9
461.20151	34.1
485.20273	19.1
486.20688	4.8
625.09235	2.4
634.98047	2.3
787.30035	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	920.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	18.9
81.03442	12.4
82.98777	5.1
83.05028	10.6
97.02953	16.4
109.06609	41.9
125.09719	16.3
132.87247	6.6
135.08203	9.7
163.11275	30.2
175.78522	6.8
181.12401	6.3
207.10280	100.0
209.11836	18.7
225.11320	46.6
229.14990	7.2
264.64978	6.3
274.12585	5.9
582.68323	6.9
651.30023	17.2
669.32062	9.3
681.44147	7.4
686.55377	6.7
815.38721	17.9
833.39429	29.6
834.39661	8.7
841.39856	11.9
859.41254	48.8
860.40796	25.3
877.42078	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	924.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
70.43200	100.0
70.43530	53.3
162.08339	44.1
175.22279	43.7
693.04883	53.1
693.33466	58.1
811.38184	48.0
846.63727	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.4656
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	52.1
71.30214	4.3
72.99341	3.7
73.02959	18.8
83.01394	5.8
85.02960	17.2
89.02449	16.7
93.03472	2.5
95.01385	3.9
101.02448	27.5
112.57640	2.4
113.02480	28.7
119.03500	8.4
123.08180	32.3
125.02506	3.3
129.01886	2.6
137.09750	9.7
139.16122	2.5
145.02948	4.1
149.04480	2.6
159.04529	8.2
161.02477	5.8
161.04579	10.8
163.04019	3.4
163.11296	26.7
179.03227	2.8
179.05652	7.3
189.12877	48.3
190.13124	3.5
190.29259	2.4
191.05611	3.5
203.03516	9.1
203.05440	3.6
207.13927	56.9
208.14270	4.2
225.14935	17.1
229.01443	12.5
289.20239	7.5
323.05539	3.1
387.20264	22.1
429.21323	100.0
430.21616	10.4
431.19067	3.8
451.25494	77.1
452.26117	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	926.4762
Annotation	Unknow
Peak:m/z	Relative Intensity
68.98994	86.5
71.01369	25.0
83.01373	9.0
85.02964	9.7
89.02465	21.9
90.90957	7.2
97.02968	11.8
101.02445	14.3
109.06596	41.9
113.02521	12.5
122.57613	7.6
125.02437	8.3
152.92761	6.9
163.11270	26.0
207.10277	100.0
208.10603	11.7
219.01601	7.4
225.11333	47.3
235.08330	12.6
277.21814	60.4
281.72836	7.3
335.68100	6.9
379.12589	9.6
397.13641	48.3
415.14548	19.5
438.47348	7.6
574.47534	7.5
605.24603	10.1
623.24841	7.4
883.47369	66.6
884.47650	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	939.6428
Annotation	Unknow
Peak:m/z	Relative Intensity
65.94435	0.8
69.06574	6.5
71.01383	1.1
80.99693	0.9
81.03480	0.8
83.05022	0.9
85.02933	1.4
87.00878	1.0
93.03485	1.0
100.13422	0.7
113.02445	3.2
114.78381	0.8
119.05067	1.3
128.95949	0.7
133.03029	1.1
135.04527	1.4
145.02928	1.2
147.04550	0.9
161.02446	0.8
191.05556	2.0
208.44568	0.7
271.48236	0.7
317.04944	0.8
441.14066	0.9
451.33588	0.9
903.66492	4.7
904.66754	2.2
939.64276	100.0
940.45459	1.4
940.64600	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	940.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
66.17322	76.8
85.73615	82.2
90.95959	82.8
119.85572	66.4
206.81439	74.1
780.55829	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	943.363
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42773	6.8
71.01378	2.6
75.70924	1.4
85.02959	3.2
86.60935	1.3
92.75392	1.3
93.03478	8.2
96.53513	1.2
109.68204	1.3
110.06136	2.6
113.02431	4.0
117.03493	3.2
119.05039	100.0
120.05341	3.4
121.06545	1.2
124.07694	1.8
136.07675	9.2
138.09256	13.0
145.02998	4.1
163.04031	48.0
164.04330	1.5
165.05573	3.3
166.54921	1.2
187.12431	3.0
197.10834	1.4
198.08052	1.4
199.08768	2.8
213.10364	8.3
213.13937	7.0
227.15530	4.2
237.10390	1.7
238.11092	3.4
239.11911	14.7
249.10333	1.3
253.13495	15.6
264.15497	1.5
281.09290	1.9
289.13654	2.3
290.14151	1.5
291.15063	1.8
305.15182	1.2
308.17648	5.6
316.11795	1.5
317.12979	8.2
317.16354	2.2
318.12842	1.5
320.17975	1.6
331.13605	1.9
334.19415	1.5
336.20825	7.1
337.21307	1.6
343.14615	10.8
345.15933	5.6
357.16333	6.1
359.17609	4.6
360.17191	4.1
362.18805	44.0
363.19107	2.8
376.20435	10.3
380.19888	12.0
406.17703	8.0
409.70831	1.3
480.72495	1.3
482.24527	10.4
483.24820	2.3
506.27200	1.3
570.22357	4.7
588.23926	2.9
622.25818	1.8
732.27930	30.7
733.27142	8.6
750.28711	21.2
751.28650	4.8
762.28925	2.3
780.29822	33.8
781.30304	7.5
913.34912	15.1
914.34747	4.3
943.36243	36.3
944.36401	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	945.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01021	3.4
71.01384	39.1
72.01709	2.8
72.99322	2.3
73.02953	16.8
76.83578	2.0
83.01391	6.0
85.02950	18.0
87.00895	2.7
88.69286	2.1
89.02437	9.7
93.03471	10.4
95.01358	2.5
97.02934	5.6
98.21726	4.2
99.00896	3.3
101.02436	19.0
110.02502	4.6
113.02463	31.5
116.26406	2.3
117.03460	3.5
119.03514	2.3
119.05031	4.0
123.08199	3.2
133.02939	6.3
135.04546	3.1
138.06868	18.4
139.07576	6.7
143.03548	3.6
145.02943	16.1
151.07661	14.9
152.08446	30.1
153.09236	80.4
154.09683	11.0
154.32582	2.2
161.02483	17.2
161.04518	7.6
163.03995	4.3
164.04756	3.7
178.53259	2.1
179.03505	5.9
179.10753	13.1
190.09938	3.2
198.09247	3.6
199.09598	2.8
203.03586	3.0
203.05641	6.0
205.12358	33.7
206.12799	10.3
211.07664	4.3
221.06528	2.4
223.13382	24.3
224.13687	3.6
237.09198	6.6
325.09314	3.0
331.13528	3.7
341.08746	6.3
342.09317	3.0
367.17624	100.0
368.17978	35.8
369.18311	13.1
375.12402	5.2
385.18564	11.0
386.19009	6.2
387.19208	2.9
421.11371	3.3
427.19754	72.6
428.20071	21.8
429.20514	14.3
430.21078	2.7
439.12567	6.0
446.93436	2.9
491.13458	3.5
642.04504	2.5
945.30682	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	946.4657
Annotation	Unknow
Peak:m/z	Relative Intensity
70.85603	100.0
84.80488	46.5
85.37354	45.8
120.76641	49.8
143.44168	46.0
185.46280	42.5
204.92056	44.7
305.51028	53.6
306.63211	52.8
450.69037	51.5
946.53137	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
69.04478	28.4
69.04897	15.3
71.01388	50.9
73.02950	27.7
83.01405	7.9
85.02942	21.4
85.18859	4.0
89.02454	14.8
95.01398	5.8
101.02461	26.8
113.02465	21.8
119.03557	5.0
119.38733	4.2
123.08183	48.2
137.09772	12.3
145.02953	4.4
149.04524	3.8
153.09251	4.1
161.04532	20.0
161.67513	3.7
163.11313	38.4
171.11981	4.0
171.77040	3.6
179.05701	4.6
189.12877	60.5
207.13895	71.0
208.14261	7.0
225.14929	19.5
369.18875	4.4
387.20291	28.9
388.21039	4.3
429.21283	100.0
430.21597	10.3
435.90152	4.5
469.10791	4.4
598.60840	4.0
599.50983	4.7
667.76935	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	963.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99827	3.3
69.70965	0.4
71.01383	5.6
71.29404	0.9
73.02945	1.3
78.12975	0.4
79.71207	0.4
81.03468	1.6
81.39790	0.4
83.01400	0.7
85.02974	3.0
85.03882	0.4
86.34801	0.4
87.00903	0.5
89.02444	1.1
93.03474	2.1
95.01389	1.0
96.15546	0.4
97.02929	0.6
99.00883	0.7
99.04532	1.4
101.02464	2.7
109.02967	1.4
111.00871	1.0
113.02447	2.0
115.00348	1.2
117.03465	1.4
118.39645	0.5
119.05051	5.7
123.04553	0.5
130.04185	0.7
131.05124	0.5
133.02968	1.2
134.03781	0.7
135.04541	1.1
135.92216	0.5
143.04956	0.8
145.02972	3.6
145.06561	0.5
146.03770	1.2
147.04535	1.7
148.05324	1.2
149.06052	1.1
151.07628	0.5
158.03752	1.7
159.03194	0.6
159.04546	8.6
159.08160	0.7
160.05165	0.6
161.02472	2.2
161.04546	1.4
163.04022	5.1
171.04631	0.8
172.05319	13.6
173.06078	7.4
174.03209	1.5
174.06837	1.2
175.04022	2.7
175.07672	1.2
177.01839	0.5
183.04520	3.4
184.05161	0.8
185.06052	1.8
186.03218	0.9
186.06798	0.9
187.04105	9.9
187.07661	100.0
188.04601	0.8
188.07986	5.7
189.01866	1.4
189.05598	10.0
189.09192	0.9
190.06137	0.6
191.05670	0.8
197.06082	0.8
198.06844	0.8
199.04057	3.5
200.04802	6.0
201.05602	8.4
201.09256	2.0
202.06401	4.7
203.03484	1.7
203.07028	1.4
203.10780	1.3
204.04333	3.9
211.04053	0.9
211.07599	3.2
212.08276	0.4
213.05627	0.7
213.09235	8.6
214.06276	0.9
214.09554	0.8
215.03804	0.8
215.07138	20.5
215.09233	1.0
216.07770	2.5
217.08749	3.7
218.08920	0.5
222.06853	0.7
223.08063	0.4
225.05486	1.1
227.03514	5.9
227.07164	0.6
228.04318	5.0
228.07977	0.6
229.04955	0.5
229.08730	6.5
230.05905	0.6
230.09065	0.8
231.06647	33.0
231.10182	13.1
232.03738	2.1
232.07036	1.8
232.10536	1.0
239.07201	0.9
245.04509	2.4
250.06372	8.3
251.07001	2.6
251.10764	0.5
257.08206	31.8
258.08582	1.7
261.09714	0.5
264.07883	1.2
265.08655	1.3
266.09348	0.7
275.09253	4.5
278.09418	0.5
279.10333	25.3
280.07642	0.5
280.10617	1.9
293.08270	1.5
294.09012	1.4
296.06784	0.9
313.10956	0.7
315.12387	3.4
323.12918	16.6
324.13330	1.9
327.08630	0.6
331.11871	0.5
349.11481	0.8
377.10840	3.8
393.12988	0.4
425.14554	3.4
426.14319	0.5
440.13190	2.9
441.13699	0.6
493.17212	70.0
494.17590	7.2
501.63852	0.5
519.18982	0.8
537.19824	80.3
538.20172	9.2
963.34991	2.9
964.33990	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.5074
Annotation	Unknow
Peak:m/z	Relative Intensity
67.38393	1.8
70.24398	1.7
70.82687	3.4
103.00386	6.9
103.01502	100.0
115.60690	1.8
117.95875	1.7
177.76389	1.9
277.14172	2.3
280.51727	2.0
297.99255	1.9
329.23499	3.2
370.34329	1.9
554.69305	2.0
783.05719	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	985.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37921	1.6
69.38336	2.8
72.37550	0.5
86.65247	0.7
93.03452	1.1
94.09525	0.6
98.21780	1.4
103.05582	0.7
107.01379	1.2
135.00905	0.8
145.02957	0.9
151.00349	1.2
163.00406	1.7
172.24287	0.6
185.06200	0.8
187.04030	1.0
191.05577	0.7
199.04045	0.8
200.51443	0.6
208.87383	0.6
210.90154	0.6
211.04021	1.3
213.05580	1.3
227.03516	15.0
228.03903	0.8
229.05060	5.8
239.03474	1.3
255.02995	28.5
256.03574	2.7
256.64734	0.7
257.04684	3.7
284.03287	42.2
285.04044	52.4
286.04391	4.1
305.15964	0.8
327.05228	1.4
593.15155	100.0
594.15460	13.3
912.78912	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	990.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	2.0
71.01385	21.7
71.30051	1.0
72.99319	1.6
73.02956	3.0
80.05058	3.0
80.27182	1.0
83.01387	2.6
85.02954	10.2
89.02448	11.3
93.03468	8.4
94.03020	1.3
95.01410	2.9
96.04578	10.8
96.95984	2.5
97.02979	1.3
99.00909	3.6
101.02470	10.7
107.70876	1.0
110.02477	2.7
111.00957	2.0
113.02470	15.4
115.00401	4.5
117.03482	39.7
118.03819	1.8
119.02777	1.2
119.03542	5.1
119.05039	43.6
120.05370	2.6
121.29720	1.1
125.02447	1.6
131.05052	1.9
133.02962	2.2
133.06598	3.7
135.04524	1.9
139.00360	3.1
143.03432	1.4
143.05043	4.2
145.02966	100.0
146.03293	5.2
147.04558	1.4
158.03883	1.3
159.04514	4.5
161.04570	3.6
161.06094	8.4
161.20511	1.2
163.04025	26.4
177.05553	2.3
179.05594	1.9
182.08269	3.3
187.04033	9.1
189.70830	1.1
205.05057	3.4
208.87959	1.2
210.06810	7.1
211.07663	35.4
212.08014	6.2
223.07652	7.7
235.07585	2.0
237.09157	4.3
239.10898	1.3
265.08804	7.4
302.96942	1.1
309.07770	1.3
311.18460	1.2
326.12497	3.5
327.08780	7.1
344.13489	21.9
387.14142	4.8
388.12601	10.5
513.23267	1.3
534.16217	6.1
654.22815	2.4
680.19659	2.3
697.22424	6.7
698.21185	94.1
699.21552	14.6
740.23016	6.2
755.70990	1.5
770.23267	2.8
800.24457	10.4
859.27435	1.8
860.26544	66.2
861.26764	10.9
958.30334	9.7
959.29065	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	992.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	10.5
72.99326	0.6
73.02941	2.3
80.05032	0.5
83.01387	1.1
85.02960	4.9
87.00893	2.0
88.01260	0.4
89.02459	6.2
94.02998	3.0
95.01395	1.2
95.57959	0.4
96.96024	4.2
98.22549	0.9
99.00921	0.7
101.02457	5.8
102.16456	0.4
106.06637	93.7
107.06940	2.0
108.08210	1.5
108.67747	0.4
110.02493	1.7
111.00864	0.4
113.02457	7.2
113.41577	0.4
115.00362	0.6
117.03506	0.8
118.03815	0.5
119.03530	1.9
119.05042	1.4
121.02969	0.7
122.06129	0.7
131.03523	2.8
132.04578	0.7
143.03473	0.7
145.02954	3.2
146.03300	0.6
146.06157	0.5
148.07671	0.5
150.05620	73.0
151.05960	2.2
159.03032	0.5
159.04468	0.4
161.02461	0.5
161.04579	4.9
161.05945	0.9
163.04012	1.2
164.07158	5.4
166.05051	0.7
179.05655	1.6
187.04156	0.6
192.06696	6.1
194.04591	9.0
194.63705	0.4
210.04123	1.3
211.07619	1.5
221.06735	4.2
228.80635	0.5
236.05721	1.0
240.89699	0.4
252.08823	1.5
296.07837	1.9
312.10919	0.9
327.08847	0.5
338.08786	1.2
354.12006	4.2
356.09882	4.9
398.10980	6.1
399.11258	0.6
500.14154	4.6
518.15179	100.0
519.15594	9.8
700.20758	0.6
862.25763	1.2
END